USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 2 SER OG : rot 80:sc= 0.0697 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -0.425 K(o=-3.5,f=-4.4) USER MOD Set 1.3: A 82 ASN : amide:sc= -3.11! C(o=-3.5!,f=-4.2!) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.114 (180deg=-0.519) USER MOD Single : A 1 MET N :NH3+ 165:sc= -2.11! (180deg=-2.74!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.0198 (180deg=-0.177) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.949 F(o=-1.6,f=-0.95) USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= 1.09 (180deg=0.234) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -176:sc= -1.5 (180deg=-1.62) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00139) USER MOD Single : A 27 MET CE :methyl -176:sc= -0.479 (180deg=-0.598) USER MOD Single : A 28 GLN : amide:sc= -0.0732 K(o=-0.073,f=-3!) USER MOD Single : A 34 GLN : amide:sc= -0.0527 K(o=-0.053,f=-0.62) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.48) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -130:sc= 0.691 USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.962) USER MOD Single : A 53 GLN : amide:sc= 0.216 K(o=0.22,f=-4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -3.2! C(o=-3.8!,f=-3.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.461 K(o=0.46,f=-1.6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.351 5.601 -9.173 1.00 0.00 N ATOM 2 CA MET A 1 -0.703 4.437 -8.535 1.00 0.00 C ATOM 3 C MET A 1 0.602 4.859 -7.819 1.00 0.00 C ATOM 4 O MET A 1 0.793 4.548 -6.640 1.00 0.00 O ATOM 5 CB MET A 1 -0.420 3.358 -9.613 1.00 0.00 C ATOM 6 CG MET A 1 0.110 2.019 -9.073 1.00 0.00 C ATOM 7 SD MET A 1 0.407 0.805 -10.383 1.00 0.00 S ATOM 8 CE MET A 1 -1.231 0.616 -11.109 1.00 0.00 C ATOM 0 H1 MET A 1 -2.069 5.271 -9.849 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.805 6.188 -8.444 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.636 6.165 -9.675 1.00 0.00 H new ATOM 0 HA MET A 1 -1.371 4.022 -7.780 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.340 3.170 -10.167 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.304 3.758 -10.323 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.038 2.193 -8.528 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.606 1.610 -8.360 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.267 -0.306 -11.690 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.978 0.575 -10.316 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.440 1.464 -11.761 1.00 0.00 H new ATOM 18 N SER A 2 1.478 5.579 -8.545 1.00 0.00 N ATOM 19 CA SER A 2 2.824 5.955 -8.065 1.00 0.00 C ATOM 20 C SER A 2 2.784 7.048 -6.965 1.00 0.00 C ATOM 21 O SER A 2 2.587 8.235 -7.253 1.00 0.00 O ATOM 22 CB SER A 2 3.671 6.431 -9.262 1.00 0.00 C ATOM 23 OG SER A 2 3.642 5.492 -10.324 1.00 0.00 O ATOM 0 H SER A 2 1.272 5.918 -9.485 1.00 0.00 H new ATOM 0 HA SER A 2 3.274 5.073 -7.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.297 7.392 -9.614 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.701 6.588 -8.941 1.00 0.00 H new ATOM 0 HG SER A 2 2.810 5.597 -10.831 1.00 0.00 H new ATOM 29 N LYS A 3 2.960 6.626 -5.699 1.00 0.00 N ATOM 30 CA LYS A 3 3.042 7.530 -4.534 1.00 0.00 C ATOM 31 C LYS A 3 4.343 7.249 -3.758 1.00 0.00 C ATOM 32 O LYS A 3 4.788 6.093 -3.688 1.00 0.00 O ATOM 33 CB LYS A 3 1.803 7.345 -3.606 1.00 0.00 C ATOM 34 CG LYS A 3 1.774 8.288 -2.371 1.00 0.00 C ATOM 35 CD LYS A 3 0.573 8.030 -1.430 1.00 0.00 C ATOM 36 CE LYS A 3 -0.781 8.337 -2.085 1.00 0.00 C ATOM 37 NZ LYS A 3 -1.907 8.020 -1.176 1.00 0.00 N ATOM 0 H LYS A 3 3.050 5.640 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 3 3.049 8.562 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.899 7.508 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.776 6.312 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.700 8.167 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.742 9.322 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.587 6.988 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.683 8.641 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.822 9.390 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.881 7.760 -3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.807 8.239 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.881 7.010 -0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.824 8.589 -0.309 1.00 0.00 H new ATOM 51 N THR A 4 4.929 8.317 -3.175 1.00 0.00 N ATOM 52 CA THR A 4 6.187 8.270 -2.394 1.00 0.00 C ATOM 53 C THR A 4 7.362 7.775 -3.274 1.00 0.00 C ATOM 54 O THR A 4 7.775 6.612 -3.197 1.00 0.00 O ATOM 55 CB THR A 4 6.044 7.401 -1.087 1.00 0.00 C ATOM 56 OG1 THR A 4 4.867 7.811 -0.369 1.00 0.00 O ATOM 57 CG2 THR A 4 7.275 7.519 -0.161 1.00 0.00 C ATOM 0 H THR A 4 4.534 9.255 -3.235 1.00 0.00 H new ATOM 0 HA THR A 4 6.407 9.288 -2.072 1.00 0.00 H new ATOM 0 HB THR A 4 5.965 6.358 -1.395 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.775 7.271 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.125 6.901 0.724 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.164 7.181 -0.693 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.406 8.558 0.140 1.00 0.00 H new ATOM 65 N ALA A 5 7.836 8.668 -4.163 1.00 0.00 N ATOM 66 CA ALA A 5 8.923 8.383 -5.129 1.00 0.00 C ATOM 67 C ALA A 5 9.401 9.704 -5.785 1.00 0.00 C ATOM 68 O ALA A 5 9.166 10.785 -5.219 1.00 0.00 O ATOM 69 CB ALA A 5 8.456 7.341 -6.177 1.00 0.00 C ATOM 0 H ALA A 5 7.474 9.619 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 5 9.774 7.947 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.266 7.143 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.179 6.416 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.594 7.731 -6.718 1.00 0.00 H new ATOM 75 N LYS A 6 10.068 9.602 -6.968 1.00 0.00 N ATOM 76 CA LYS A 6 10.683 10.743 -7.686 1.00 0.00 C ATOM 77 C LYS A 6 9.703 11.918 -7.914 1.00 0.00 C ATOM 78 O LYS A 6 8.880 11.886 -8.834 1.00 0.00 O ATOM 79 CB LYS A 6 11.251 10.277 -9.054 1.00 0.00 C ATOM 80 CG LYS A 6 12.406 9.253 -8.973 1.00 0.00 C ATOM 81 CD LYS A 6 12.888 8.791 -10.373 1.00 0.00 C ATOM 82 CE LYS A 6 14.143 7.904 -10.308 1.00 0.00 C ATOM 83 NZ LYS A 6 15.311 8.638 -9.754 1.00 0.00 N ATOM 0 H LYS A 6 10.192 8.712 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 6 11.486 11.108 -7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.440 9.840 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.601 11.152 -9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.242 9.695 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.079 8.385 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.086 8.242 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.099 9.667 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.938 7.029 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.383 7.540 -11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.176 8.083 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.399 9.559 -10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.176 8.785 -8.733 1.00 0.00 H new ATOM 97 N LEU A 7 9.833 12.940 -7.062 1.00 0.00 N ATOM 98 CA LEU A 7 9.059 14.189 -7.134 1.00 0.00 C ATOM 99 C LEU A 7 9.873 15.265 -6.398 1.00 0.00 C ATOM 100 O LEU A 7 9.814 15.349 -5.164 1.00 0.00 O ATOM 101 CB LEU A 7 7.622 13.979 -6.524 1.00 0.00 C ATOM 102 CG LEU A 7 6.524 15.084 -6.794 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.102 14.519 -6.543 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.742 16.366 -5.945 1.00 0.00 C ATOM 0 H LEU A 7 10.493 12.924 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 7 8.897 14.507 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.238 13.030 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.731 13.876 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 7 6.622 15.367 -7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.362 15.296 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.923 13.675 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.020 14.187 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.959 17.090 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.706 16.111 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.715 16.798 -6.181 1.00 0.00 H new ATOM 116 N ASN A 8 10.692 16.027 -7.144 1.00 0.00 N ATOM 117 CA ASN A 8 11.491 17.133 -6.581 1.00 0.00 C ATOM 118 C ASN A 8 10.774 18.468 -6.849 1.00 0.00 C ATOM 119 O ASN A 8 10.200 19.062 -5.934 1.00 0.00 O ATOM 120 CB ASN A 8 12.927 17.150 -7.183 1.00 0.00 C ATOM 121 CG ASN A 8 13.832 18.238 -6.573 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.729 18.563 -5.386 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.711 18.820 -7.379 1.00 0.00 N ATOM 0 H ASN A 8 10.819 15.896 -8.148 1.00 0.00 H new ATOM 0 HA ASN A 8 11.588 16.986 -5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.389 16.175 -7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.860 17.305 -8.260 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.322 19.555 -7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.776 18.533 -8.356 1.00 0.00 H new ATOM 130 N ASN A 9 10.796 18.915 -8.119 1.00 0.00 N ATOM 131 CA ASN A 9 10.218 20.213 -8.515 1.00 0.00 C ATOM 132 C ASN A 9 8.728 20.047 -8.820 1.00 0.00 C ATOM 133 O ASN A 9 8.345 19.679 -9.937 1.00 0.00 O ATOM 134 CB ASN A 9 10.975 20.820 -9.723 1.00 0.00 C ATOM 135 CG ASN A 9 10.528 22.246 -10.071 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.835 22.693 -11.280 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 9.968 22.967 -9.243 1.00 0.00 N flip ATOM 0 H ASN A 9 11.210 18.393 -8.892 1.00 0.00 H new ATOM 0 HA ASN A 9 10.327 20.910 -7.685 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.043 20.825 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.829 20.179 -10.593 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.741 22.601 -8.318 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.731 23.930 -9.482 1.00 0.00 H new ATOM 144 N GLU A 10 7.913 20.329 -7.791 1.00 0.00 N ATOM 145 CA GLU A 10 6.448 20.183 -7.806 1.00 0.00 C ATOM 146 C GLU A 10 5.802 20.909 -9.003 1.00 0.00 C ATOM 147 O GLU A 10 4.948 20.338 -9.676 1.00 0.00 O ATOM 148 CB GLU A 10 5.884 20.716 -6.462 1.00 0.00 C ATOM 149 CG GLU A 10 4.362 20.584 -6.281 1.00 0.00 C ATOM 150 CD GLU A 10 3.888 20.999 -4.880 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.057 20.204 -3.929 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.385 22.126 -4.706 1.00 0.00 O ATOM 0 H GLU A 10 8.266 20.675 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 10 6.202 19.127 -7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.376 20.186 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.153 21.768 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.858 21.199 -7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.067 19.551 -6.468 1.00 0.00 H new ATOM 159 N GLU A 11 6.287 22.141 -9.278 1.00 0.00 N ATOM 160 CA GLU A 11 5.730 23.052 -10.310 1.00 0.00 C ATOM 161 C GLU A 11 5.586 22.400 -11.704 1.00 0.00 C ATOM 162 O GLU A 11 4.595 22.641 -12.400 1.00 0.00 O ATOM 163 CB GLU A 11 6.610 24.316 -10.423 1.00 0.00 C ATOM 164 CG GLU A 11 6.588 25.239 -9.192 1.00 0.00 C ATOM 165 CD GLU A 11 7.290 26.581 -9.455 1.00 0.00 C ATOM 166 OE1 GLU A 11 6.651 27.490 -10.022 1.00 0.00 O ATOM 167 OE2 GLU A 11 8.481 26.723 -9.121 1.00 0.00 O ATOM 0 H GLU A 11 7.087 22.538 -8.784 1.00 0.00 H new ATOM 0 HA GLU A 11 4.724 23.308 -9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.639 24.008 -10.608 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.287 24.888 -11.293 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.555 25.424 -8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.073 24.736 -8.355 1.00 0.00 H new ATOM 174 N LYS A 12 6.577 21.587 -12.090 1.00 0.00 N ATOM 175 CA LYS A 12 6.585 20.884 -13.394 1.00 0.00 C ATOM 176 C LYS A 12 5.401 19.909 -13.483 1.00 0.00 C ATOM 177 O LYS A 12 4.680 19.866 -14.492 1.00 0.00 O ATOM 178 CB LYS A 12 7.925 20.129 -13.586 1.00 0.00 C ATOM 179 CG LYS A 12 9.161 21.050 -13.562 1.00 0.00 C ATOM 180 CD LYS A 12 10.500 20.297 -13.691 1.00 0.00 C ATOM 181 CE LYS A 12 10.707 19.702 -15.088 1.00 0.00 C ATOM 182 NZ LYS A 12 12.032 19.051 -15.231 1.00 0.00 N ATOM 0 H LYS A 12 7.397 21.393 -11.515 1.00 0.00 H new ATOM 0 HA LYS A 12 6.484 21.622 -14.190 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.026 19.379 -12.801 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.899 19.595 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.081 21.772 -14.375 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.162 21.617 -12.631 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.320 20.979 -13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.537 19.498 -12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.922 18.973 -15.290 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.609 20.490 -15.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.371 19.164 -16.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.709 19.493 -14.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.947 18.039 -15.009 1.00 0.00 H new ATOM 196 N LEU A 13 5.197 19.161 -12.386 1.00 0.00 N ATOM 197 CA LEU A 13 4.109 18.181 -12.271 1.00 0.00 C ATOM 198 C LEU A 13 2.731 18.887 -12.227 1.00 0.00 C ATOM 199 O LEU A 13 1.759 18.397 -12.806 1.00 0.00 O ATOM 200 CB LEU A 13 4.300 17.271 -11.028 1.00 0.00 C ATOM 201 CG LEU A 13 5.530 16.292 -11.074 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.835 16.957 -10.584 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.245 14.981 -10.317 1.00 0.00 C ATOM 0 H LEU A 13 5.784 19.220 -11.554 1.00 0.00 H new ATOM 0 HA LEU A 13 4.140 17.547 -13.157 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.400 17.907 -10.148 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.395 16.679 -10.893 1.00 0.00 H new ATOM 0 HG LEU A 13 5.683 16.039 -12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.652 16.237 -10.636 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.066 17.815 -11.216 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.709 17.289 -9.553 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.119 14.332 -10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.024 15.204 -9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.390 14.478 -10.769 1.00 0.00 H new ATOM 215 N VAL A 14 2.676 20.044 -11.546 1.00 0.00 N ATOM 216 CA VAL A 14 1.450 20.877 -11.446 1.00 0.00 C ATOM 217 C VAL A 14 0.967 21.291 -12.839 1.00 0.00 C ATOM 218 O VAL A 14 -0.194 21.075 -13.190 1.00 0.00 O ATOM 219 CB VAL A 14 1.698 22.160 -10.577 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.446 23.084 -10.509 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.174 21.757 -9.173 1.00 0.00 C ATOM 0 H VAL A 14 3.476 20.434 -11.047 1.00 0.00 H new ATOM 0 HA VAL A 14 0.684 20.272 -10.961 1.00 0.00 H new ATOM 0 HB VAL A 14 2.480 22.744 -11.062 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.671 23.957 -9.896 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.177 23.407 -11.515 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.387 22.536 -10.069 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.344 22.653 -8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.413 21.140 -8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.103 21.192 -9.252 1.00 0.00 H new ATOM 231 N LYS A 15 1.893 21.854 -13.631 1.00 0.00 N ATOM 232 CA LYS A 15 1.601 22.346 -14.984 1.00 0.00 C ATOM 233 C LYS A 15 1.249 21.196 -15.936 1.00 0.00 C ATOM 234 O LYS A 15 0.423 21.366 -16.832 1.00 0.00 O ATOM 235 CB LYS A 15 2.785 23.172 -15.521 1.00 0.00 C ATOM 236 CG LYS A 15 3.052 24.466 -14.713 1.00 0.00 C ATOM 237 CD LYS A 15 4.223 25.284 -15.289 1.00 0.00 C ATOM 238 CE LYS A 15 5.550 24.505 -15.273 1.00 0.00 C ATOM 239 NZ LYS A 15 6.605 25.200 -16.039 1.00 0.00 N ATOM 0 H LYS A 15 2.865 21.980 -13.350 1.00 0.00 H new ATOM 0 HA LYS A 15 0.727 22.995 -14.927 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.683 22.554 -15.510 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.592 23.436 -16.561 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.151 25.080 -14.707 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.268 24.206 -13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.989 25.576 -16.313 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.338 26.203 -14.714 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.879 24.369 -14.243 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.393 23.511 -15.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.483 24.644 -16.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.302 25.307 -17.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.773 26.139 -15.625 1.00 0.00 H new ATOM 253 N LYS A 16 1.871 20.028 -15.715 1.00 0.00 N ATOM 254 CA LYS A 16 1.541 18.789 -16.450 1.00 0.00 C ATOM 255 C LYS A 16 0.104 18.334 -16.128 1.00 0.00 C ATOM 256 O LYS A 16 -0.611 17.839 -16.997 1.00 0.00 O ATOM 257 CB LYS A 16 2.542 17.678 -16.080 1.00 0.00 C ATOM 258 CG LYS A 16 2.378 16.337 -16.837 1.00 0.00 C ATOM 259 CD LYS A 16 2.594 16.463 -18.356 1.00 0.00 C ATOM 260 CE LYS A 16 2.487 15.114 -19.083 1.00 0.00 C ATOM 261 NZ LYS A 16 2.739 15.249 -20.539 1.00 0.00 N ATOM 0 H LYS A 16 2.614 19.912 -15.026 1.00 0.00 H new ATOM 0 HA LYS A 16 1.608 18.990 -17.519 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.551 18.051 -16.257 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.458 17.482 -15.011 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.086 15.612 -16.435 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.379 15.943 -16.651 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.857 17.153 -18.768 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.576 16.896 -18.545 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.203 14.413 -18.654 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.494 14.693 -18.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.658 14.317 -20.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.040 15.898 -20.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.696 15.626 -20.692 1.00 0.00 H new ATOM 275 N ALA A 17 -0.299 18.527 -14.864 1.00 0.00 N ATOM 276 CA ALA A 17 -1.658 18.222 -14.386 1.00 0.00 C ATOM 277 C ALA A 17 -2.670 19.261 -14.906 1.00 0.00 C ATOM 278 O ALA A 17 -3.859 18.968 -15.004 1.00 0.00 O ATOM 279 CB ALA A 17 -1.686 18.154 -12.852 1.00 0.00 C ATOM 0 H ALA A 17 0.312 18.902 -14.138 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.947 17.247 -14.778 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.698 17.928 -12.516 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.007 17.373 -12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.373 19.113 -12.440 1.00 0.00 H new ATOM 285 N LEU A 18 -2.182 20.480 -15.223 1.00 0.00 N ATOM 286 CA LEU A 18 -3.003 21.530 -15.871 1.00 0.00 C ATOM 287 C LEU A 18 -3.257 21.166 -17.335 1.00 0.00 C ATOM 288 O LEU A 18 -4.326 21.457 -17.874 1.00 0.00 O ATOM 289 CB LEU A 18 -2.330 22.931 -15.791 1.00 0.00 C ATOM 290 CG LEU A 18 -1.937 23.423 -14.369 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.400 24.868 -14.391 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.096 23.251 -13.376 1.00 0.00 C ATOM 0 H LEU A 18 -1.219 20.763 -15.040 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.948 21.583 -15.331 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.432 22.916 -16.409 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.008 23.662 -16.232 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.120 22.792 -14.019 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.137 25.174 -13.378 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.516 24.918 -15.027 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.167 25.535 -14.784 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.788 23.604 -12.392 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.955 23.829 -13.716 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.369 22.197 -13.314 1.00 0.00 H new ATOM 304 N GLU A 19 -2.248 20.537 -17.970 1.00 0.00 N ATOM 305 CA GLU A 19 -2.358 20.048 -19.353 1.00 0.00 C ATOM 306 C GLU A 19 -3.352 18.877 -19.434 1.00 0.00 C ATOM 307 O GLU A 19 -4.330 18.947 -20.171 1.00 0.00 O ATOM 308 CB GLU A 19 -0.973 19.609 -19.895 1.00 0.00 C ATOM 309 CG GLU A 19 0.090 20.717 -19.925 1.00 0.00 C ATOM 310 CD GLU A 19 1.427 20.252 -20.530 1.00 0.00 C ATOM 311 OE1 GLU A 19 2.154 19.484 -19.872 1.00 0.00 O ATOM 312 OE2 GLU A 19 1.750 20.651 -21.671 1.00 0.00 O ATOM 0 H GLU A 19 -1.341 20.356 -17.540 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.728 20.866 -19.971 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.603 18.787 -19.282 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.101 19.221 -20.905 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.289 21.561 -20.501 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.262 21.075 -18.910 1.00 0.00 H new ATOM 319 N ILE A 20 -3.097 17.819 -18.640 1.00 0.00 N ATOM 320 CA ILE A 20 -3.904 16.582 -18.651 1.00 0.00 C ATOM 321 C ILE A 20 -5.308 16.853 -18.084 1.00 0.00 C ATOM 322 O ILE A 20 -6.305 16.543 -18.729 1.00 0.00 O ATOM 323 CB ILE A 20 -3.205 15.417 -17.850 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.761 15.138 -18.390 1.00 0.00 C ATOM 325 CG2 ILE A 20 -4.062 14.124 -17.875 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.686 14.713 -19.848 1.00 0.00 C ATOM 0 H ILE A 20 -2.326 17.797 -17.973 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.994 16.259 -19.688 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.117 15.743 -16.813 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.161 16.039 -18.259 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.305 14.360 -17.777 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.553 13.340 -17.314 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.033 14.322 -17.422 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.202 13.800 -18.906 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.645 14.544 -20.125 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.253 13.792 -19.988 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.106 15.497 -20.478 1.00 0.00 H new ATOM 338 N GLY A 21 -5.362 17.452 -16.888 1.00 0.00 N ATOM 339 CA GLY A 21 -6.625 17.814 -16.239 1.00 0.00 C ATOM 340 C GLY A 21 -7.419 18.847 -17.036 1.00 0.00 C ATOM 341 O GLY A 21 -8.652 18.817 -17.032 1.00 0.00 O ATOM 0 H GLY A 21 -4.534 17.698 -16.346 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.231 16.918 -16.107 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.418 18.209 -15.244 1.00 0.00 H new ATOM 345 N GLY A 22 -6.696 19.752 -17.729 1.00 0.00 N ATOM 346 CA GLY A 22 -7.308 20.773 -18.582 1.00 0.00 C ATOM 347 C GLY A 22 -7.970 20.191 -19.828 1.00 0.00 C ATOM 348 O GLY A 22 -9.112 20.539 -20.137 1.00 0.00 O ATOM 0 H GLY A 22 -5.677 19.789 -17.708 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.052 21.322 -18.005 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.545 21.491 -18.884 1.00 0.00 H new ATOM 352 N LYS A 23 -7.250 19.289 -20.542 1.00 0.00 N ATOM 353 CA LYS A 23 -7.744 18.680 -21.804 1.00 0.00 C ATOM 354 C LYS A 23 -8.850 17.657 -21.510 1.00 0.00 C ATOM 355 O LYS A 23 -9.802 17.536 -22.279 1.00 0.00 O ATOM 356 CB LYS A 23 -6.581 18.070 -22.661 1.00 0.00 C ATOM 357 CG LYS A 23 -5.746 16.921 -22.017 1.00 0.00 C ATOM 358 CD LYS A 23 -6.308 15.496 -22.247 1.00 0.00 C ATOM 359 CE LYS A 23 -5.446 14.411 -21.573 1.00 0.00 C ATOM 360 NZ LYS A 23 -5.943 13.046 -21.861 1.00 0.00 N ATOM 0 H LYS A 23 -6.323 18.967 -20.264 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.179 19.474 -22.412 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.008 17.696 -23.592 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.897 18.877 -22.925 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.731 16.964 -22.413 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.677 17.099 -20.944 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.325 15.442 -21.859 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.365 15.299 -23.317 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.416 14.501 -21.917 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.437 14.573 -20.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.334 12.348 -21.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.917 12.950 -21.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.927 12.880 -22.888 1.00 0.00 H new ATOM 374 N MET A 24 -8.713 16.944 -20.368 1.00 0.00 N ATOM 375 CA MET A 24 -9.741 16.002 -19.891 1.00 0.00 C ATOM 376 C MET A 24 -11.039 16.761 -19.622 1.00 0.00 C ATOM 377 O MET A 24 -12.050 16.465 -20.240 1.00 0.00 O ATOM 378 CB MET A 24 -9.292 15.228 -18.622 1.00 0.00 C ATOM 379 CG MET A 24 -8.300 14.084 -18.869 1.00 0.00 C ATOM 380 SD MET A 24 -8.175 12.946 -17.469 1.00 0.00 S ATOM 381 CE MET A 24 -7.960 14.076 -16.096 1.00 0.00 C ATOM 0 H MET A 24 -7.896 17.007 -19.761 1.00 0.00 H new ATOM 0 HA MET A 24 -9.901 15.258 -20.672 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.840 15.935 -17.926 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.177 14.821 -18.133 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.607 13.529 -19.756 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.316 14.502 -19.080 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.798 13.508 -15.180 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.098 14.716 -16.283 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.853 14.692 -15.989 1.00 0.00 H new ATOM 391 N ALA A 25 -10.955 17.787 -18.743 1.00 0.00 N ATOM 392 CA ALA A 25 -12.090 18.658 -18.376 1.00 0.00 C ATOM 393 C ALA A 25 -12.763 19.243 -19.614 1.00 0.00 C ATOM 394 O ALA A 25 -13.987 19.212 -19.732 1.00 0.00 O ATOM 395 CB ALA A 25 -11.626 19.788 -17.448 1.00 0.00 C ATOM 0 H ALA A 25 -10.088 18.033 -18.266 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.820 18.044 -17.849 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.477 20.419 -17.189 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.201 19.361 -16.540 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.871 20.388 -17.955 1.00 0.00 H new ATOM 401 N LYS A 26 -11.928 19.728 -20.540 1.00 0.00 N ATOM 402 CA LYS A 26 -12.366 20.326 -21.807 1.00 0.00 C ATOM 403 C LYS A 26 -13.317 19.367 -22.550 1.00 0.00 C ATOM 404 O LYS A 26 -14.480 19.723 -22.788 1.00 0.00 O ATOM 405 CB LYS A 26 -11.122 20.696 -22.664 1.00 0.00 C ATOM 406 CG LYS A 26 -11.412 21.499 -23.950 1.00 0.00 C ATOM 407 CD LYS A 26 -10.113 22.002 -24.639 1.00 0.00 C ATOM 408 CE LYS A 26 -9.161 20.861 -25.055 1.00 0.00 C ATOM 409 NZ LYS A 26 -9.770 19.952 -26.060 1.00 0.00 N ATOM 0 H LYS A 26 -10.914 19.716 -20.429 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.923 21.242 -21.610 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.435 21.272 -22.045 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.607 19.776 -22.940 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.971 20.875 -24.647 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.045 22.352 -23.707 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.380 22.583 -25.522 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.588 22.675 -23.961 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.244 21.287 -25.463 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.880 20.286 -24.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.086 19.213 -26.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.621 19.510 -25.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.030 20.496 -26.907 1.00 0.00 H new ATOM 423 N MET A 27 -12.827 18.119 -22.778 1.00 0.00 N ATOM 424 CA MET A 27 -13.583 17.032 -23.455 1.00 0.00 C ATOM 425 C MET A 27 -14.864 16.643 -22.694 1.00 0.00 C ATOM 426 O MET A 27 -15.903 16.379 -23.310 1.00 0.00 O ATOM 427 CB MET A 27 -12.689 15.779 -23.616 1.00 0.00 C ATOM 428 CG MET A 27 -11.505 15.948 -24.583 1.00 0.00 C ATOM 429 SD MET A 27 -10.541 14.431 -24.802 1.00 0.00 S ATOM 430 CE MET A 27 -9.911 14.133 -23.147 1.00 0.00 C ATOM 0 H MET A 27 -11.888 17.838 -22.494 1.00 0.00 H new ATOM 0 HA MET A 27 -13.877 17.415 -24.432 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.302 15.498 -22.636 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.308 14.951 -23.963 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.880 16.276 -25.553 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.850 16.736 -24.211 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.245 13.270 -23.161 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.362 15.010 -22.804 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.743 13.938 -22.470 1.00 0.00 H new ATOM 440 N GLN A 28 -14.773 16.602 -21.349 1.00 0.00 N ATOM 441 CA GLN A 28 -15.923 16.329 -20.458 1.00 0.00 C ATOM 442 C GLN A 28 -17.003 17.420 -20.649 1.00 0.00 C ATOM 443 O GLN A 28 -18.197 17.173 -20.490 1.00 0.00 O ATOM 444 CB GLN A 28 -15.457 16.275 -18.971 1.00 0.00 C ATOM 445 CG GLN A 28 -14.362 15.227 -18.639 1.00 0.00 C ATOM 446 CD GLN A 28 -14.817 13.765 -18.650 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.735 13.373 -19.362 1.00 0.00 O ATOM 448 NE2 GLN A 28 -14.148 12.937 -17.863 1.00 0.00 N ATOM 0 H GLN A 28 -13.899 16.757 -20.847 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.351 15.360 -20.717 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.085 17.261 -18.691 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.327 16.073 -18.346 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.548 15.340 -19.355 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.954 15.454 -17.654 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.388 13.289 -17.280 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.392 11.947 -17.839 1.00 0.00 H new ATOM 457 N GLY A 29 -16.537 18.624 -21.020 1.00 0.00 N ATOM 458 CA GLY A 29 -17.392 19.756 -21.351 1.00 0.00 C ATOM 459 C GLY A 29 -17.162 20.898 -20.391 1.00 0.00 C ATOM 460 O GLY A 29 -18.119 21.435 -19.815 1.00 0.00 O ATOM 0 H GLY A 29 -15.541 18.832 -21.097 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.190 20.085 -22.370 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.438 19.450 -21.316 1.00 0.00 H new ATOM 464 N PHE A 30 -15.875 21.273 -20.201 1.00 0.00 N ATOM 465 CA PHE A 30 -15.483 22.296 -19.183 1.00 0.00 C ATOM 466 C PHE A 30 -14.442 23.276 -19.736 1.00 0.00 C ATOM 467 O PHE A 30 -13.332 22.883 -20.106 1.00 0.00 O ATOM 468 CB PHE A 30 -14.942 21.643 -17.874 1.00 0.00 C ATOM 469 CG PHE A 30 -15.977 20.820 -17.117 1.00 0.00 C ATOM 470 CD1 PHE A 30 -16.977 21.446 -16.382 1.00 0.00 C ATOM 471 CD2 PHE A 30 -15.953 19.426 -17.152 1.00 0.00 C ATOM 472 CE1 PHE A 30 -17.927 20.706 -15.708 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.905 18.689 -16.478 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.888 19.329 -15.751 1.00 0.00 C ATOM 0 H PHE A 30 -15.091 20.891 -20.730 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.392 22.847 -18.942 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.095 21.003 -18.123 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.566 22.428 -17.217 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.011 22.525 -16.338 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.182 18.918 -17.712 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.702 21.206 -15.146 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.881 17.610 -16.519 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.627 18.751 -15.216 1.00 0.00 H new ATOM 484 N ASP A 31 -14.828 24.553 -19.784 1.00 0.00 N ATOM 485 CA ASP A 31 -13.930 25.666 -20.084 1.00 0.00 C ATOM 486 C ASP A 31 -13.276 26.117 -18.765 1.00 0.00 C ATOM 487 O ASP A 31 -13.943 26.731 -17.923 1.00 0.00 O ATOM 488 CB ASP A 31 -14.744 26.811 -20.747 1.00 0.00 C ATOM 489 CG ASP A 31 -13.885 28.028 -21.138 1.00 0.00 C ATOM 490 OD1 ASP A 31 -13.150 27.952 -22.146 1.00 0.00 O ATOM 491 OD2 ASP A 31 -13.938 29.065 -20.441 1.00 0.00 O ATOM 0 H ASP A 31 -15.790 24.846 -19.612 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.146 25.371 -20.782 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.240 26.425 -21.638 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.527 27.134 -20.061 1.00 0.00 H new ATOM 496 N LEU A 32 -12.002 25.738 -18.551 1.00 0.00 N ATOM 497 CA LEU A 32 -11.253 26.121 -17.339 1.00 0.00 C ATOM 498 C LEU A 32 -10.602 27.512 -17.531 1.00 0.00 C ATOM 499 O LEU A 32 -10.027 27.769 -18.597 1.00 0.00 O ATOM 500 CB LEU A 32 -10.183 25.047 -16.987 1.00 0.00 C ATOM 501 CG LEU A 32 -10.718 23.599 -16.718 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.581 22.661 -16.244 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.897 23.600 -15.713 1.00 0.00 C ATOM 0 H LEU A 32 -11.468 25.165 -19.204 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.950 26.180 -16.503 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.463 25.000 -17.804 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.640 25.381 -16.103 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.098 23.214 -17.664 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.983 21.664 -16.065 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.809 22.609 -17.011 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.150 23.049 -15.321 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.240 22.578 -15.553 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.567 24.025 -14.765 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.715 24.199 -16.113 1.00 0.00 H new ATOM 515 N PRO A 33 -10.676 28.430 -16.504 1.00 0.00 N ATOM 516 CA PRO A 33 -10.133 29.814 -16.609 1.00 0.00 C ATOM 517 C PRO A 33 -8.594 29.830 -16.741 1.00 0.00 C ATOM 518 O PRO A 33 -7.902 29.059 -16.070 1.00 0.00 O ATOM 519 CB PRO A 33 -10.595 30.482 -15.286 1.00 0.00 C ATOM 520 CG PRO A 33 -10.765 29.342 -14.330 1.00 0.00 C ATOM 521 CD PRO A 33 -11.293 28.199 -15.166 1.00 0.00 C ATOM 0 HA PRO A 33 -10.489 30.333 -17.499 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.857 31.197 -14.924 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.528 31.029 -15.422 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.818 29.080 -13.858 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.460 29.599 -13.530 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.004 27.233 -14.753 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.382 28.210 -15.219 1.00 0.00 H new ATOM 529 N GLN A 34 -8.089 30.718 -17.610 1.00 0.00 N ATOM 530 CA GLN A 34 -6.653 30.805 -17.961 1.00 0.00 C ATOM 531 C GLN A 34 -6.125 32.248 -17.753 1.00 0.00 C ATOM 532 O GLN A 34 -4.966 32.424 -17.361 1.00 0.00 O ATOM 533 CB GLN A 34 -6.464 30.314 -19.443 1.00 0.00 C ATOM 534 CG GLN A 34 -5.005 29.975 -19.884 1.00 0.00 C ATOM 535 CD GLN A 34 -4.105 31.189 -20.185 1.00 0.00 C ATOM 536 OE1 GLN A 34 -4.580 32.234 -20.625 1.00 0.00 O ATOM 537 NE2 GLN A 34 -2.813 31.061 -19.932 1.00 0.00 N ATOM 0 H GLN A 34 -8.666 31.404 -18.096 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.068 30.161 -17.304 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.080 29.426 -19.589 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.852 31.084 -20.110 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.535 29.382 -19.099 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.049 29.348 -20.774 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.450 30.181 -19.567 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.180 31.843 -20.102 1.00 0.00 H new ATOM 546 N SER A 35 -7.003 33.251 -17.997 1.00 0.00 N ATOM 547 CA SER A 35 -6.626 34.689 -18.082 1.00 0.00 C ATOM 548 C SER A 35 -5.808 35.221 -16.859 1.00 0.00 C ATOM 549 O SER A 35 -4.785 35.876 -17.082 1.00 0.00 O ATOM 550 CB SER A 35 -7.876 35.565 -18.336 1.00 0.00 C ATOM 551 OG SER A 35 -8.561 35.166 -19.509 1.00 0.00 O ATOM 0 H SER A 35 -7.999 33.087 -18.142 1.00 0.00 H new ATOM 0 HA SER A 35 -5.948 34.764 -18.932 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.548 35.498 -17.481 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.577 36.609 -18.426 1.00 0.00 H new ATOM 0 HG SER A 35 -9.346 35.738 -19.640 1.00 0.00 H new ATOM 557 N PRO A 36 -6.231 34.997 -15.554 1.00 0.00 N ATOM 558 CA PRO A 36 -5.342 35.284 -14.391 1.00 0.00 C ATOM 559 C PRO A 36 -4.068 34.375 -14.405 1.00 0.00 C ATOM 560 O PRO A 36 -3.095 34.728 -15.083 1.00 0.00 O ATOM 561 CB PRO A 36 -6.256 35.065 -13.142 1.00 0.00 C ATOM 562 CG PRO A 36 -7.657 35.112 -13.688 1.00 0.00 C ATOM 563 CD PRO A 36 -7.570 34.536 -15.090 1.00 0.00 C ATOM 0 HA PRO A 36 -4.936 36.295 -14.403 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.049 34.109 -12.661 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.096 35.840 -12.392 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -8.339 34.531 -13.067 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.036 36.134 -13.707 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.644 33.449 -15.086 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.370 34.908 -15.730 1.00 0.00 H new ATOM 571 N GLN A 37 -4.108 33.213 -13.688 1.00 0.00 N ATOM 572 CA GLN A 37 -3.057 32.151 -13.700 1.00 0.00 C ATOM 573 C GLN A 37 -3.391 31.080 -12.610 1.00 0.00 C ATOM 574 O GLN A 37 -3.603 29.922 -12.967 1.00 0.00 O ATOM 575 CB GLN A 37 -1.587 32.701 -13.519 1.00 0.00 C ATOM 576 CG GLN A 37 -0.418 31.714 -13.806 1.00 0.00 C ATOM 577 CD GLN A 37 -0.183 30.653 -12.719 1.00 0.00 C ATOM 578 OE1 GLN A 37 -0.695 29.537 -12.781 1.00 0.00 O ATOM 579 NE2 GLN A 37 0.569 31.002 -11.703 1.00 0.00 N ATOM 0 H GLN A 37 -4.889 32.985 -13.073 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.073 31.698 -14.691 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.467 33.566 -14.172 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.484 33.058 -12.494 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.614 31.207 -14.751 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.499 32.288 -13.936 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.984 31.933 -11.672 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.739 30.342 -10.944 1.00 0.00 H new ATOM 588 N PRO A 38 -3.457 31.431 -11.254 1.00 0.00 N ATOM 589 CA PRO A 38 -3.647 30.410 -10.165 1.00 0.00 C ATOM 590 C PRO A 38 -5.041 29.746 -10.224 1.00 0.00 C ATOM 591 O PRO A 38 -5.271 28.674 -9.652 1.00 0.00 O ATOM 592 CB PRO A 38 -3.451 31.238 -8.864 1.00 0.00 C ATOM 593 CG PRO A 38 -3.885 32.621 -9.242 1.00 0.00 C ATOM 594 CD PRO A 38 -3.404 32.817 -10.661 1.00 0.00 C ATOM 0 HA PRO A 38 -2.952 29.574 -10.245 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.051 30.842 -8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.412 31.222 -8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.968 32.725 -9.176 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.452 33.365 -8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.043 33.511 -11.208 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.394 33.225 -10.688 1.00 0.00 H new ATOM 602 N VAL A 39 -5.943 30.402 -10.966 1.00 0.00 N ATOM 603 CA VAL A 39 -7.304 29.923 -11.251 1.00 0.00 C ATOM 604 C VAL A 39 -7.296 28.605 -12.047 1.00 0.00 C ATOM 605 O VAL A 39 -8.209 27.806 -11.900 1.00 0.00 O ATOM 606 CB VAL A 39 -8.106 31.014 -12.045 1.00 0.00 C ATOM 607 CG1 VAL A 39 -8.276 32.294 -11.194 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.426 31.325 -13.407 1.00 0.00 C ATOM 0 H VAL A 39 -5.742 31.305 -11.396 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.789 29.733 -10.293 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.100 30.620 -12.258 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.834 33.038 -11.763 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.819 32.054 -10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.295 32.694 -10.939 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.002 32.084 -13.936 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.415 31.693 -13.233 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.383 30.417 -14.008 1.00 0.00 H new ATOM 618 N ARG A 40 -6.250 28.406 -12.888 1.00 0.00 N ATOM 619 CA ARG A 40 -6.060 27.155 -13.660 1.00 0.00 C ATOM 620 C ARG A 40 -5.849 25.989 -12.693 1.00 0.00 C ATOM 621 O ARG A 40 -6.543 24.984 -12.754 1.00 0.00 O ATOM 622 CB ARG A 40 -4.827 27.240 -14.608 1.00 0.00 C ATOM 623 CG ARG A 40 -4.865 28.383 -15.634 1.00 0.00 C ATOM 624 CD ARG A 40 -3.726 28.294 -16.658 1.00 0.00 C ATOM 625 NE ARG A 40 -3.800 27.047 -17.455 1.00 0.00 N ATOM 626 CZ ARG A 40 -2.755 26.289 -17.827 1.00 0.00 C ATOM 627 NH1 ARG A 40 -1.525 26.602 -17.453 1.00 0.00 N ATOM 628 NH2 ARG A 40 -2.951 25.189 -18.541 1.00 0.00 N ATOM 0 H ARG A 40 -5.522 29.102 -13.048 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.953 27.003 -14.267 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.929 27.349 -14.000 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.736 26.295 -15.144 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.821 28.365 -16.157 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.805 29.338 -15.111 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.769 29.155 -17.325 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.768 28.339 -16.141 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.727 26.737 -17.747 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.362 27.427 -16.876 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.740 26.018 -17.742 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.897 24.917 -18.809 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.156 24.615 -18.822 1.00 0.00 H new ATOM 642 N VAL A 41 -4.889 26.202 -11.779 1.00 0.00 N ATOM 643 CA VAL A 41 -4.457 25.214 -10.781 1.00 0.00 C ATOM 644 C VAL A 41 -5.639 24.791 -9.879 1.00 0.00 C ATOM 645 O VAL A 41 -5.893 23.590 -9.674 1.00 0.00 O ATOM 646 CB VAL A 41 -3.245 25.800 -9.948 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.761 24.828 -8.861 1.00 0.00 C ATOM 648 CG2 VAL A 41 -2.071 26.185 -10.889 1.00 0.00 C ATOM 0 H VAL A 41 -4.382 27.084 -11.713 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.113 24.311 -11.286 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.607 26.696 -9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.929 25.275 -8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.577 24.621 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.433 23.898 -9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.247 26.586 -10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.733 25.301 -11.430 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.407 26.939 -11.601 1.00 0.00 H new ATOM 658 N LYS A 42 -6.399 25.795 -9.427 1.00 0.00 N ATOM 659 CA LYS A 42 -7.560 25.612 -8.533 1.00 0.00 C ATOM 660 C LYS A 42 -8.732 24.930 -9.295 1.00 0.00 C ATOM 661 O LYS A 42 -9.437 24.085 -8.733 1.00 0.00 O ATOM 662 CB LYS A 42 -7.959 27.006 -7.943 1.00 0.00 C ATOM 663 CG LYS A 42 -8.852 27.002 -6.662 1.00 0.00 C ATOM 664 CD LYS A 42 -10.337 26.620 -6.902 1.00 0.00 C ATOM 665 CE LYS A 42 -11.026 27.494 -7.973 1.00 0.00 C ATOM 666 NZ LYS A 42 -11.066 28.924 -7.593 1.00 0.00 N ATOM 0 H LYS A 42 -6.228 26.770 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.304 24.949 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.044 27.553 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.481 27.566 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.425 26.305 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.816 27.992 -6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.392 25.575 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.884 26.708 -5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.498 27.387 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.043 27.135 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.537 29.469 -8.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.593 29.032 -6.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.096 29.277 -7.466 1.00 0.00 H new ATOM 680 N ALA A 43 -8.930 25.304 -10.576 1.00 0.00 N ATOM 681 CA ALA A 43 -10.041 24.776 -11.417 1.00 0.00 C ATOM 682 C ALA A 43 -9.832 23.294 -11.756 1.00 0.00 C ATOM 683 O ALA A 43 -10.775 22.494 -11.720 1.00 0.00 O ATOM 684 CB ALA A 43 -10.181 25.586 -12.711 1.00 0.00 C ATOM 0 H ALA A 43 -8.333 25.975 -11.060 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.958 24.872 -10.836 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.999 25.181 -13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.391 26.627 -12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.253 25.526 -13.280 1.00 0.00 H new ATOM 690 N VAL A 44 -8.573 22.959 -12.100 1.00 0.00 N ATOM 691 CA VAL A 44 -8.146 21.573 -12.363 1.00 0.00 C ATOM 692 C VAL A 44 -8.342 20.722 -11.098 1.00 0.00 C ATOM 693 O VAL A 44 -8.852 19.615 -11.180 1.00 0.00 O ATOM 694 CB VAL A 44 -6.651 21.507 -12.867 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.132 20.052 -12.966 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.502 22.221 -14.232 1.00 0.00 C ATOM 0 H VAL A 44 -7.824 23.643 -12.203 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.767 21.169 -13.163 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.042 22.024 -12.126 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.100 20.057 -13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.179 19.581 -11.984 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.751 19.492 -13.667 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.464 22.164 -14.561 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.143 21.736 -14.968 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.793 23.266 -14.129 1.00 0.00 H new ATOM 706 N TYR A 45 -7.974 21.294 -9.933 1.00 0.00 N ATOM 707 CA TYR A 45 -8.220 20.683 -8.607 1.00 0.00 C ATOM 708 C TYR A 45 -9.711 20.317 -8.415 1.00 0.00 C ATOM 709 O TYR A 45 -10.014 19.163 -8.118 1.00 0.00 O ATOM 710 CB TYR A 45 -7.721 21.644 -7.492 1.00 0.00 C ATOM 711 CG TYR A 45 -8.307 21.427 -6.086 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.836 20.421 -5.233 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.345 22.243 -5.611 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.380 20.243 -3.969 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.883 22.065 -4.355 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.401 21.067 -3.541 1.00 0.00 C ATOM 717 OH TYR A 45 -9.955 20.892 -2.293 1.00 0.00 O ATOM 0 H TYR A 45 -7.497 22.194 -9.883 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.660 19.750 -8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.636 21.557 -7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.941 22.666 -7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.037 19.774 -5.564 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.731 23.028 -6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.006 19.463 -3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.680 22.707 -4.011 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.931 20.859 -2.370 1.00 0.00 H new ATOM 727 N LEU A 46 -10.615 21.303 -8.607 1.00 0.00 N ATOM 728 CA LEU A 46 -12.084 21.120 -8.430 1.00 0.00 C ATOM 729 C LEU A 46 -12.613 19.984 -9.321 1.00 0.00 C ATOM 730 O LEU A 46 -13.360 19.107 -8.859 1.00 0.00 O ATOM 731 CB LEU A 46 -12.860 22.426 -8.761 1.00 0.00 C ATOM 732 CG LEU A 46 -12.659 23.636 -7.797 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.552 24.823 -8.221 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.906 23.237 -6.321 1.00 0.00 C ATOM 0 H LEU A 46 -10.354 22.248 -8.888 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.247 20.863 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.577 22.743 -9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.924 22.189 -8.790 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.619 23.954 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.398 25.657 -7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.291 25.131 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.598 24.519 -8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.757 24.105 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.928 22.874 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.208 22.450 -6.035 1.00 0.00 H new ATOM 746 N PHE A 47 -12.190 20.020 -10.594 1.00 0.00 N ATOM 747 CA PHE A 47 -12.530 19.007 -11.605 1.00 0.00 C ATOM 748 C PHE A 47 -12.051 17.602 -11.168 1.00 0.00 C ATOM 749 O PHE A 47 -12.821 16.643 -11.213 1.00 0.00 O ATOM 750 CB PHE A 47 -11.920 19.412 -12.988 1.00 0.00 C ATOM 751 CG PHE A 47 -11.801 18.262 -13.994 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.937 17.633 -14.513 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.548 17.784 -14.385 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.817 16.567 -15.389 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.433 16.718 -15.252 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.568 16.111 -15.756 1.00 0.00 C ATOM 0 H PHE A 47 -11.594 20.764 -10.955 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.614 18.961 -11.705 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.536 20.198 -13.426 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.930 19.837 -12.823 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.918 17.982 -14.228 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.656 18.257 -14.002 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.702 16.092 -15.785 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.456 16.357 -15.537 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.477 15.279 -16.438 1.00 0.00 H new ATOM 766 N LEU A 48 -10.781 17.506 -10.749 1.00 0.00 N ATOM 767 CA LEU A 48 -10.149 16.226 -10.368 1.00 0.00 C ATOM 768 C LEU A 48 -10.778 15.635 -9.090 1.00 0.00 C ATOM 769 O LEU A 48 -10.907 14.422 -8.982 1.00 0.00 O ATOM 770 CB LEU A 48 -8.616 16.383 -10.194 1.00 0.00 C ATOM 771 CG LEU A 48 -7.791 16.695 -11.483 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.289 16.787 -11.157 1.00 0.00 C ATOM 773 CD2 LEU A 48 -8.054 15.670 -12.608 1.00 0.00 C ATOM 0 H LEU A 48 -10.160 18.311 -10.663 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.332 15.527 -11.185 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.435 17.181 -9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.228 15.464 -9.756 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.125 17.664 -11.855 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.732 17.005 -12.068 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.122 17.582 -10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.948 15.839 -10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.458 15.929 -13.483 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.779 14.673 -12.264 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.111 15.683 -12.872 1.00 0.00 H new ATOM 785 N VAL A 49 -11.175 16.490 -8.131 1.00 0.00 N ATOM 786 CA VAL A 49 -11.860 16.026 -6.907 1.00 0.00 C ATOM 787 C VAL A 49 -13.246 15.474 -7.287 1.00 0.00 C ATOM 788 O VAL A 49 -13.635 14.384 -6.860 1.00 0.00 O ATOM 789 CB VAL A 49 -12.010 17.149 -5.804 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.773 16.610 -4.568 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.634 17.713 -5.380 1.00 0.00 C ATOM 0 H VAL A 49 -11.036 17.499 -8.177 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.238 15.247 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.587 17.962 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.864 17.401 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.767 16.280 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.226 15.770 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.774 18.482 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.021 16.909 -4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.135 18.146 -6.247 1.00 0.00 H new ATOM 801 N ASP A 50 -13.936 16.216 -8.168 1.00 0.00 N ATOM 802 CA ASP A 50 -15.274 15.853 -8.671 1.00 0.00 C ATOM 803 C ASP A 50 -15.212 14.551 -9.498 1.00 0.00 C ATOM 804 O ASP A 50 -16.164 13.773 -9.520 1.00 0.00 O ATOM 805 CB ASP A 50 -15.841 17.014 -9.534 1.00 0.00 C ATOM 806 CG ASP A 50 -17.337 16.850 -9.869 1.00 0.00 C ATOM 807 OD1 ASP A 50 -17.674 16.157 -10.857 1.00 0.00 O ATOM 808 OD2 ASP A 50 -18.189 17.401 -9.141 1.00 0.00 O ATOM 0 H ASP A 50 -13.580 17.090 -8.555 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.934 15.683 -7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.695 17.956 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.273 17.079 -10.462 1.00 0.00 H new ATOM 813 N ALA A 51 -14.064 14.330 -10.165 1.00 0.00 N ATOM 814 CA ALA A 51 -13.821 13.154 -11.018 1.00 0.00 C ATOM 815 C ALA A 51 -13.194 11.987 -10.213 1.00 0.00 C ATOM 816 O ALA A 51 -12.821 10.963 -10.795 1.00 0.00 O ATOM 817 CB ALA A 51 -12.924 13.565 -12.204 1.00 0.00 C ATOM 0 H ALA A 51 -13.271 14.970 -10.126 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.775 12.791 -11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.741 12.698 -12.839 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.422 14.342 -12.785 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.975 13.946 -11.827 1.00 0.00 H new ATOM 823 N LYS A 52 -13.092 12.168 -8.866 1.00 0.00 N ATOM 824 CA LYS A 52 -12.558 11.151 -7.904 1.00 0.00 C ATOM 825 C LYS A 52 -11.082 10.784 -8.194 1.00 0.00 C ATOM 826 O LYS A 52 -10.593 9.723 -7.789 1.00 0.00 O ATOM 827 CB LYS A 52 -13.475 9.877 -7.822 1.00 0.00 C ATOM 828 CG LYS A 52 -14.824 10.073 -7.068 1.00 0.00 C ATOM 829 CD LYS A 52 -15.851 10.963 -7.814 1.00 0.00 C ATOM 830 CE LYS A 52 -16.334 10.335 -9.136 1.00 0.00 C ATOM 831 NZ LYS A 52 -17.262 11.228 -9.877 1.00 0.00 N ATOM 0 H LYS A 52 -13.381 13.033 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.575 11.618 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.690 9.539 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.917 9.079 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.271 9.095 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.620 10.514 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.709 11.141 -7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.401 11.934 -8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.473 10.108 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.833 9.389 -8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.414 10.853 -10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.172 11.276 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.851 12.181 -9.939 1.00 0.00 H new ATOM 845 N GLN A 53 -10.384 11.701 -8.866 1.00 0.00 N ATOM 846 CA GLN A 53 -8.955 11.598 -9.177 1.00 0.00 C ATOM 847 C GLN A 53 -8.102 11.932 -7.936 1.00 0.00 C ATOM 848 O GLN A 53 -7.103 11.256 -7.658 1.00 0.00 O ATOM 849 CB GLN A 53 -8.622 12.553 -10.352 1.00 0.00 C ATOM 850 CG GLN A 53 -9.387 12.253 -11.660 1.00 0.00 C ATOM 851 CD GLN A 53 -9.098 10.862 -12.235 1.00 0.00 C ATOM 852 OE1 GLN A 53 -7.999 10.325 -12.090 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.082 10.272 -12.889 1.00 0.00 N ATOM 0 H GLN A 53 -10.807 12.559 -9.219 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.720 10.575 -9.470 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.841 13.576 -10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.552 12.502 -10.552 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.457 12.345 -11.474 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.127 13.006 -12.404 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.981 10.743 -12.992 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.943 9.345 -13.291 1.00 0.00 H new ATOM 862 N ILE A 54 -8.506 12.991 -7.195 1.00 0.00 N ATOM 863 CA ILE A 54 -7.858 13.392 -5.917 1.00 0.00 C ATOM 864 C ILE A 54 -8.919 13.648 -4.829 1.00 0.00 C ATOM 865 O ILE A 54 -10.077 13.954 -5.130 1.00 0.00 O ATOM 866 CB ILE A 54 -6.946 14.682 -6.054 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.745 15.863 -6.690 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.660 14.376 -6.840 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.960 17.149 -6.894 1.00 0.00 C ATOM 0 H ILE A 54 -9.286 13.591 -7.462 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.214 12.559 -5.636 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.644 14.990 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.133 15.538 -7.655 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.605 16.079 -6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.056 15.280 -6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.092 13.603 -6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.919 14.027 -7.840 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.607 17.904 -7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.594 17.508 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.115 16.958 -7.555 1.00 0.00 H new ATOM 881 N ALA A 55 -8.493 13.501 -3.566 1.00 0.00 N ATOM 882 CA ALA A 55 -9.295 13.826 -2.379 1.00 0.00 C ATOM 883 C ALA A 55 -9.219 15.351 -2.087 1.00 0.00 C ATOM 884 O ALA A 55 -8.166 15.966 -2.330 1.00 0.00 O ATOM 885 CB ALA A 55 -8.795 13.000 -1.178 1.00 0.00 C ATOM 0 H ALA A 55 -7.564 13.146 -3.337 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.339 13.572 -2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.390 13.241 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.892 11.938 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.749 13.236 -0.984 1.00 0.00 H new ATOM 891 N PRO A 56 -10.322 15.989 -1.566 1.00 0.00 N ATOM 892 CA PRO A 56 -10.370 17.452 -1.335 1.00 0.00 C ATOM 893 C PRO A 56 -9.545 17.913 -0.116 1.00 0.00 C ATOM 894 O PRO A 56 -9.353 17.178 0.859 1.00 0.00 O ATOM 895 CB PRO A 56 -11.879 17.722 -1.113 1.00 0.00 C ATOM 896 CG PRO A 56 -12.393 16.451 -0.504 1.00 0.00 C ATOM 897 CD PRO A 56 -11.606 15.334 -1.163 1.00 0.00 C ATOM 0 HA PRO A 56 -9.934 18.003 -2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.038 18.574 -0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.386 17.948 -2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.248 16.448 0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.462 16.335 -0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.434 14.506 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.135 14.927 -2.025 1.00 0.00 H new ATOM 905 N LEU A 57 -9.053 19.146 -0.217 1.00 0.00 N ATOM 906 CA LEU A 57 -8.397 19.872 0.874 1.00 0.00 C ATOM 907 C LEU A 57 -9.449 20.601 1.728 1.00 0.00 C ATOM 908 O LEU A 57 -10.484 21.012 1.193 1.00 0.00 O ATOM 909 CB LEU A 57 -7.416 20.901 0.263 1.00 0.00 C ATOM 910 CG LEU A 57 -6.245 20.301 -0.573 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.660 21.356 -1.524 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.144 19.697 0.342 1.00 0.00 C ATOM 0 H LEU A 57 -9.100 19.684 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.856 19.172 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.981 21.582 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.993 21.498 1.071 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.648 19.487 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.844 20.916 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.437 21.703 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.283 22.199 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.343 19.288 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.742 20.476 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.574 18.903 0.953 1.00 0.00 H new ATOM 924 N PRO A 58 -9.209 20.789 3.062 1.00 0.00 N ATOM 925 CA PRO A 58 -10.075 21.648 3.905 1.00 0.00 C ATOM 926 C PRO A 58 -9.814 23.144 3.624 1.00 0.00 C ATOM 927 O PRO A 58 -8.851 23.492 2.928 1.00 0.00 O ATOM 928 CB PRO A 58 -9.660 21.244 5.338 1.00 0.00 C ATOM 929 CG PRO A 58 -8.216 20.869 5.212 1.00 0.00 C ATOM 930 CD PRO A 58 -8.087 20.198 3.856 1.00 0.00 C ATOM 0 HA PRO A 58 -11.141 21.514 3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.798 22.067 6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.257 20.409 5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.575 21.748 5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.914 20.195 6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.120 20.404 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.179 19.115 3.935 1.00 0.00 H new ATOM 938 N ASP A 59 -10.666 24.015 4.174 1.00 0.00 N ATOM 939 CA ASP A 59 -10.541 25.485 4.009 1.00 0.00 C ATOM 940 C ASP A 59 -9.306 26.030 4.750 1.00 0.00 C ATOM 941 O ASP A 59 -8.779 27.095 4.400 1.00 0.00 O ATOM 942 CB ASP A 59 -11.819 26.198 4.510 1.00 0.00 C ATOM 943 CG ASP A 59 -13.076 25.806 3.710 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.744 24.814 4.071 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.408 26.496 2.717 1.00 0.00 O ATOM 0 H ASP A 59 -11.462 23.733 4.746 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.415 25.689 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.974 25.958 5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.676 27.277 4.447 1.00 0.00 H new ATOM 950 N SER A 60 -8.874 25.282 5.793 1.00 0.00 N ATOM 951 CA SER A 60 -7.638 25.556 6.553 1.00 0.00 C ATOM 952 C SER A 60 -6.399 25.374 5.645 1.00 0.00 C ATOM 953 O SER A 60 -5.367 26.021 5.843 1.00 0.00 O ATOM 954 CB SER A 60 -7.560 24.617 7.782 1.00 0.00 C ATOM 955 OG SER A 60 -8.716 24.741 8.606 1.00 0.00 O ATOM 0 H SER A 60 -9.381 24.464 6.131 1.00 0.00 H new ATOM 0 HA SER A 60 -7.654 26.588 6.903 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.459 23.585 7.447 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.669 24.851 8.365 1.00 0.00 H new ATOM 0 HG SER A 60 -8.638 24.135 9.372 1.00 0.00 H new ATOM 961 N LYS A 61 -6.524 24.469 4.649 1.00 0.00 N ATOM 962 CA LYS A 61 -5.580 24.378 3.532 1.00 0.00 C ATOM 963 C LYS A 61 -6.158 25.210 2.364 1.00 0.00 C ATOM 964 O LYS A 61 -6.254 26.431 2.505 1.00 0.00 O ATOM 965 CB LYS A 61 -5.289 22.893 3.155 1.00 0.00 C ATOM 966 CG LYS A 61 -4.606 22.069 4.270 1.00 0.00 C ATOM 967 CD LYS A 61 -3.300 22.725 4.768 1.00 0.00 C ATOM 968 CE LYS A 61 -2.555 21.903 5.830 1.00 0.00 C ATOM 969 NZ LYS A 61 -1.326 22.608 6.277 1.00 0.00 N ATOM 0 H LYS A 61 -7.281 23.787 4.604 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.609 24.789 3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.228 22.409 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.656 22.874 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.294 21.954 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.388 21.068 3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.638 22.885 3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.533 23.707 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.209 21.726 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.292 20.927 5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.838 22.035 6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.695 22.755 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.583 23.529 6.686 1.00 0.00 H new ATOM 983 N LEU A 62 -6.543 24.564 1.228 1.00 0.00 N ATOM 984 CA LEU A 62 -7.091 25.251 0.019 1.00 0.00 C ATOM 985 C LEU A 62 -6.141 26.348 -0.548 1.00 0.00 C ATOM 986 O LEU A 62 -6.522 27.094 -1.444 1.00 0.00 O ATOM 987 CB LEU A 62 -8.542 25.821 0.307 1.00 0.00 C ATOM 988 CG LEU A 62 -9.691 25.328 -0.639 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.541 25.891 -2.072 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.760 23.786 -0.647 1.00 0.00 C ATOM 0 H LEU A 62 -6.483 23.551 1.123 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.167 24.496 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.811 25.565 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.498 26.909 0.251 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.632 25.712 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.358 25.525 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.570 26.980 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.590 25.566 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.563 23.461 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.812 23.381 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.954 23.425 0.363 1.00 0.00 H new ATOM 1002 N ASP A 63 -4.908 26.398 -0.030 1.00 0.00 N ATOM 1003 CA ASP A 63 -3.875 27.374 -0.409 1.00 0.00 C ATOM 1004 C ASP A 63 -3.184 26.886 -1.690 1.00 0.00 C ATOM 1005 O ASP A 63 -3.154 25.678 -1.930 1.00 0.00 O ATOM 1006 CB ASP A 63 -2.868 27.536 0.779 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.485 28.094 0.382 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.351 29.323 0.212 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.538 27.295 0.210 1.00 0.00 O ATOM 0 H ASP A 63 -4.591 25.743 0.685 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.311 28.352 -0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.310 28.196 1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.730 26.565 1.255 1.00 0.00 H new ATOM 1014 N GLY A 64 -2.609 27.834 -2.465 1.00 0.00 N ATOM 1015 CA GLY A 64 -1.973 27.554 -3.761 1.00 0.00 C ATOM 1016 C GLY A 64 -1.040 26.345 -3.746 1.00 0.00 C ATOM 1017 O GLY A 64 -1.201 25.438 -4.554 1.00 0.00 O ATOM 0 H GLY A 64 -2.576 28.819 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.750 27.391 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.408 28.432 -4.074 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.126 26.308 -2.759 1.00 0.00 N ATOM 1022 CA ALA A 65 0.873 25.227 -2.604 1.00 0.00 C ATOM 1023 C ALA A 65 0.206 23.858 -2.345 1.00 0.00 C ATOM 1024 O ALA A 65 0.668 22.833 -2.851 1.00 0.00 O ATOM 1025 CB ALA A 65 1.851 25.576 -1.468 1.00 0.00 C ATOM 0 H ALA A 65 -0.057 27.030 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 65 1.424 25.144 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.583 24.776 -1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.364 26.508 -1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.299 25.691 -0.535 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.886 23.863 -1.561 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.630 22.627 -1.201 1.00 0.00 C ATOM 1033 C ASN A 66 -2.378 22.057 -2.414 1.00 0.00 C ATOM 1034 O ASN A 66 -2.412 20.829 -2.619 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.622 22.898 -0.046 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.904 23.292 1.239 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.581 24.565 1.386 1.00 0.00 O flip ATOM 1038 ND2 ASN A 66 -1.592 22.443 2.067 1.00 0.00 N flip ATOM 0 H ASN A 66 -1.281 24.713 -1.158 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.900 21.889 -0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.309 23.693 -0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.223 22.007 0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.857 21.469 1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.067 22.711 2.900 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.985 22.969 -3.202 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.692 22.628 -4.447 1.00 0.00 C ATOM 1047 C ILE A 67 -2.694 21.955 -5.420 1.00 0.00 C ATOM 1048 O ILE A 67 -2.943 20.866 -5.955 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.298 23.918 -5.133 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.285 24.698 -4.193 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.985 23.550 -6.461 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.605 24.003 -3.919 1.00 0.00 C ATOM 0 H ILE A 67 -2.997 23.966 -2.988 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.512 21.951 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.465 24.590 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.786 24.882 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.491 25.671 -4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.396 24.449 -6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.256 23.100 -7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.789 22.840 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.213 24.623 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.134 23.844 -4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.418 23.042 -3.441 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.535 22.620 -5.561 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.419 22.190 -6.414 1.00 0.00 C ATOM 1066 C LYS A 68 0.133 20.821 -5.979 1.00 0.00 C ATOM 1067 O LYS A 68 0.527 20.020 -6.817 1.00 0.00 O ATOM 1068 CB LYS A 68 0.710 23.249 -6.369 1.00 0.00 C ATOM 1069 CG LYS A 68 0.354 24.588 -7.040 1.00 0.00 C ATOM 1070 CD LYS A 68 1.475 25.637 -6.915 1.00 0.00 C ATOM 1071 CE LYS A 68 1.041 27.024 -7.413 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.089 28.044 -7.176 1.00 0.00 N ATOM 0 H LYS A 68 -1.345 23.494 -5.071 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.794 22.091 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.974 23.437 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.596 22.838 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.141 24.415 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.558 24.983 -6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.786 25.710 -5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.343 25.306 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.816 26.974 -8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.123 27.321 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.760 28.967 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.286 28.109 -6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.958 27.773 -7.680 1.00 0.00 H new ATOM 1086 N HIS A 69 0.146 20.581 -4.656 1.00 0.00 N ATOM 1087 CA HIS A 69 0.646 19.320 -4.072 1.00 0.00 C ATOM 1088 C HIS A 69 -0.277 18.144 -4.448 1.00 0.00 C ATOM 1089 O HIS A 69 0.199 17.049 -4.752 1.00 0.00 O ATOM 1090 CB HIS A 69 0.791 19.459 -2.531 1.00 0.00 C ATOM 1091 CG HIS A 69 1.566 18.337 -1.878 1.00 0.00 C ATOM 1092 ND1 HIS A 69 2.908 18.125 -2.113 1.00 0.00 N ATOM 1093 CD2 HIS A 69 1.196 17.381 -0.989 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.327 17.098 -1.406 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.311 16.627 -0.714 1.00 0.00 N ATOM 0 H HIS A 69 -0.188 21.251 -3.963 1.00 0.00 H new ATOM 0 HA HIS A 69 1.633 19.109 -4.484 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.285 20.405 -2.308 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.203 19.506 -2.086 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.489 18.681 -2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.209 17.239 -0.575 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.334 16.707 -1.395 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.599 18.395 -4.450 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.605 17.398 -4.882 1.00 0.00 C ATOM 1106 C ARG A 70 -2.439 17.060 -6.375 1.00 0.00 C ATOM 1107 O ARG A 70 -2.426 15.882 -6.750 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.054 17.891 -4.596 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.458 17.859 -3.109 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.363 16.437 -2.515 1.00 0.00 C ATOM 1111 NE ARG A 70 -4.714 16.391 -1.081 1.00 0.00 N ATOM 1112 CZ ARG A 70 -4.463 15.361 -0.250 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -3.881 14.245 -0.690 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -4.787 15.455 1.025 1.00 0.00 N ATOM 0 H ARG A 70 -2.001 19.285 -4.156 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.436 16.492 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.157 18.911 -4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.752 17.275 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.814 18.532 -2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.478 18.229 -3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.026 15.772 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.349 16.059 -2.649 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.185 17.206 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.617 14.160 -1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.699 13.476 -0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.226 16.305 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.599 14.677 1.658 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.294 18.109 -7.204 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.098 17.964 -8.661 1.00 0.00 C ATOM 1130 C LEU A 71 -0.779 17.226 -8.978 1.00 0.00 C ATOM 1131 O LEU A 71 -0.717 16.417 -9.909 1.00 0.00 O ATOM 1132 CB LEU A 71 -2.100 19.347 -9.364 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.361 20.246 -9.147 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.327 21.481 -10.066 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.675 19.456 -9.321 1.00 0.00 C ATOM 0 H LEU A 71 -2.309 19.078 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.931 17.372 -9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.225 19.902 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.979 19.184 -10.435 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.333 20.593 -8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.216 22.088 -9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.437 22.072 -9.849 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.304 21.159 -11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.523 20.121 -9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.721 19.045 -10.329 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.710 18.643 -8.596 1.00 0.00 H new ATOM 1147 N ALA A 72 0.257 17.519 -8.167 1.00 0.00 N ATOM 1148 CA ALA A 72 1.609 16.955 -8.332 1.00 0.00 C ATOM 1149 C ALA A 72 1.616 15.444 -8.080 1.00 0.00 C ATOM 1150 O ALA A 72 2.123 14.687 -8.898 1.00 0.00 O ATOM 1151 CB ALA A 72 2.607 17.652 -7.399 1.00 0.00 C ATOM 0 H ALA A 72 0.177 18.157 -7.375 1.00 0.00 H new ATOM 0 HA ALA A 72 1.914 17.129 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.598 17.220 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.640 18.716 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.294 17.516 -6.364 1.00 0.00 H new ATOM 1157 N LEU A 73 1.040 15.021 -6.936 1.00 0.00 N ATOM 1158 CA LEU A 73 0.957 13.589 -6.561 1.00 0.00 C ATOM 1159 C LEU A 73 -0.028 12.821 -7.452 1.00 0.00 C ATOM 1160 O LEU A 73 0.124 11.609 -7.624 1.00 0.00 O ATOM 1161 CB LEU A 73 0.594 13.386 -5.066 1.00 0.00 C ATOM 1162 CG LEU A 73 1.788 13.501 -4.068 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.308 14.942 -3.953 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.416 12.910 -2.699 1.00 0.00 C ATOM 0 H LEU A 73 0.623 15.652 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 73 1.956 13.182 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.161 14.122 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.139 12.403 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 73 2.611 12.910 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.138 14.974 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.648 15.285 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.507 15.591 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.264 13.002 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.563 13.451 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.157 11.858 -2.815 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.033 13.533 -7.993 1.00 0.00 N ATOM 1177 CA TRP A 74 -2.003 12.948 -8.935 1.00 0.00 C ATOM 1178 C TRP A 74 -1.303 12.509 -10.226 1.00 0.00 C ATOM 1179 O TRP A 74 -1.355 11.336 -10.614 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.129 13.956 -9.278 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.060 13.452 -10.356 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.978 12.451 -10.242 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.124 13.903 -11.712 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.595 12.247 -11.447 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.095 13.132 -12.359 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.446 14.884 -12.437 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.407 13.304 -13.695 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.764 15.067 -13.764 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.736 14.279 -14.381 1.00 0.00 C ATOM 0 H TRP A 74 -1.195 14.520 -7.792 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.447 12.078 -8.450 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.705 14.170 -8.378 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.682 14.896 -9.601 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.187 11.901 -9.336 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.313 11.547 -11.634 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.685 15.489 -11.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.153 12.691 -14.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.255 15.830 -14.334 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.964 14.442 -15.424 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.670 13.483 -10.890 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.003 13.264 -12.175 1.00 0.00 C ATOM 1202 C ILE A 75 1.259 12.404 -11.980 1.00 0.00 C ATOM 1203 O ILE A 75 1.667 11.709 -12.889 1.00 0.00 O ATOM 1204 CB ILE A 75 0.343 14.618 -12.887 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.740 14.391 -14.383 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.453 15.369 -12.126 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.328 13.724 -15.246 1.00 0.00 C ATOM 0 H ILE A 75 -0.607 14.443 -10.551 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.694 12.727 -12.825 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.553 15.238 -12.877 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.992 15.355 -14.825 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.642 13.781 -14.414 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.676 16.305 -12.638 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.118 15.582 -11.111 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.351 14.752 -12.090 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.045 13.612 -16.264 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.566 12.742 -14.836 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.227 14.341 -15.254 1.00 0.00 H new ATOM 1219 N HIS A 76 1.848 12.450 -10.767 1.00 0.00 N ATOM 1220 CA HIS A 76 2.956 11.554 -10.379 1.00 0.00 C ATOM 1221 C HIS A 76 2.466 10.104 -10.352 1.00 0.00 C ATOM 1222 O HIS A 76 3.154 9.197 -10.801 1.00 0.00 O ATOM 1223 CB HIS A 76 3.511 11.946 -8.988 1.00 0.00 C ATOM 1224 CG HIS A 76 4.720 11.168 -8.572 1.00 0.00 C ATOM 1225 ND1 HIS A 76 4.806 10.481 -7.386 1.00 0.00 N ATOM 1226 CD2 HIS A 76 5.913 11.013 -9.185 1.00 0.00 C ATOM 1227 CE1 HIS A 76 5.995 9.933 -7.289 1.00 0.00 C ATOM 1228 NE2 HIS A 76 6.684 10.233 -8.368 1.00 0.00 N ATOM 0 H HIS A 76 1.571 13.104 -10.035 1.00 0.00 H new ATOM 0 HA HIS A 76 3.756 11.652 -11.113 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.759 13.007 -8.993 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.728 11.806 -8.243 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.203 11.427 -10.140 1.00 0.00 H new ATOM 0 HE1 HIS A 76 6.348 9.336 -6.461 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.639 9.933 -8.564 1.00 0.00 H new ATOM 1237 N ALA A 77 1.248 9.928 -9.809 1.00 0.00 N ATOM 1238 CA ALA A 77 0.557 8.634 -9.753 1.00 0.00 C ATOM 1239 C ALA A 77 0.098 8.177 -11.147 1.00 0.00 C ATOM 1240 O ALA A 77 -0.022 6.970 -11.401 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.624 8.727 -8.776 1.00 0.00 C ATOM 0 H ALA A 77 0.713 10.690 -9.393 1.00 0.00 H new ATOM 0 HA ALA A 77 1.256 7.879 -9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.138 7.767 -8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.255 8.985 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.318 9.495 -9.117 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.154 9.156 -12.031 1.00 0.00 N ATOM 1248 CA ALA A 78 -0.571 8.915 -13.425 1.00 0.00 C ATOM 1249 C ALA A 78 0.642 8.611 -14.334 1.00 0.00 C ATOM 1250 O ALA A 78 0.492 7.925 -15.347 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.361 10.125 -13.958 1.00 0.00 C ATOM 0 H ALA A 78 -0.074 10.146 -11.798 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.218 8.038 -13.438 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.664 9.937 -14.988 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.247 10.281 -13.342 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.732 11.015 -13.922 1.00 0.00 H new ATOM 1257 N LEU A 79 1.826 9.161 -13.977 1.00 0.00 N ATOM 1258 CA LEU A 79 3.106 8.888 -14.664 1.00 0.00 C ATOM 1259 C LEU A 79 3.773 7.678 -13.971 1.00 0.00 C ATOM 1260 O LEU A 79 4.428 7.851 -12.934 1.00 0.00 O ATOM 1261 CB LEU A 79 4.060 10.133 -14.628 1.00 0.00 C ATOM 1262 CG LEU A 79 3.543 11.438 -15.324 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.534 12.617 -15.128 1.00 0.00 C ATOM 1264 CD2 LEU A 79 3.225 11.202 -16.820 1.00 0.00 C ATOM 0 H LEU A 79 1.918 9.812 -13.197 1.00 0.00 H new ATOM 0 HA LEU A 79 2.911 8.669 -15.714 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.275 10.366 -13.585 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.005 9.851 -15.093 1.00 0.00 H new ATOM 0 HG LEU A 79 2.608 11.715 -14.838 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.144 13.506 -15.624 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.654 12.818 -14.063 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.500 12.356 -15.559 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.869 12.130 -17.267 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.127 10.873 -17.336 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.454 10.437 -16.912 1.00 0.00 H new ATOM 1276 N PRO A 80 3.625 6.427 -14.523 1.00 0.00 N ATOM 1277 CA PRO A 80 4.097 5.201 -13.840 1.00 0.00 C ATOM 1278 C PRO A 80 5.635 5.100 -13.837 1.00 0.00 C ATOM 1279 O PRO A 80 6.218 4.407 -12.998 1.00 0.00 O ATOM 1280 CB PRO A 80 3.431 4.069 -14.661 1.00 0.00 C ATOM 1281 CG PRO A 80 3.299 4.634 -16.042 1.00 0.00 C ATOM 1282 CD PRO A 80 3.030 6.114 -15.861 1.00 0.00 C ATOM 0 HA PRO A 80 3.831 5.167 -12.783 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.041 3.166 -14.659 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.459 3.799 -14.248 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.209 4.470 -16.620 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.486 4.153 -16.585 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.493 6.704 -16.652 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.962 6.332 -15.884 1.00 0.00 H new ATOM 1290 N ASP A 81 6.270 5.839 -14.762 1.00 0.00 N ATOM 1291 CA ASP A 81 7.737 5.924 -14.895 1.00 0.00 C ATOM 1292 C ASP A 81 8.342 6.812 -13.801 1.00 0.00 C ATOM 1293 O ASP A 81 9.504 6.622 -13.416 1.00 0.00 O ATOM 1294 CB ASP A 81 8.103 6.470 -16.302 1.00 0.00 C ATOM 1295 CG ASP A 81 7.618 5.548 -17.431 1.00 0.00 C ATOM 1296 OD1 ASP A 81 8.338 4.584 -17.781 1.00 0.00 O ATOM 1297 OD2 ASP A 81 6.501 5.750 -17.949 1.00 0.00 O ATOM 0 H ASP A 81 5.772 6.404 -15.450 1.00 0.00 H new ATOM 0 HA ASP A 81 8.154 4.924 -14.778 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.664 7.459 -16.430 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.184 6.589 -16.373 1.00 0.00 H new ATOM 1302 N ASN A 82 7.515 7.763 -13.287 1.00 0.00 N ATOM 1303 CA ASN A 82 7.923 8.762 -12.263 1.00 0.00 C ATOM 1304 C ASN A 82 9.044 9.663 -12.816 1.00 0.00 C ATOM 1305 O ASN A 82 9.953 10.075 -12.086 1.00 0.00 O ATOM 1306 CB ASN A 82 8.341 8.091 -10.910 1.00 0.00 C ATOM 1307 CG ASN A 82 7.234 7.276 -10.222 1.00 0.00 C ATOM 1308 OD1 ASN A 82 7.073 7.335 -9.006 1.00 0.00 O ATOM 1309 ND2 ASN A 82 6.501 6.475 -10.972 1.00 0.00 N ATOM 0 H ASN A 82 6.541 7.858 -13.574 1.00 0.00 H new ATOM 0 HA ASN A 82 7.055 9.383 -12.041 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.193 7.436 -11.094 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.679 8.869 -10.225 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.784 5.889 -10.543 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.651 6.441 -11.980 1.00 0.00 H new ATOM 1316 N ASP A 83 8.944 9.965 -14.127 1.00 0.00 N ATOM 1317 CA ASP A 83 9.915 10.800 -14.849 1.00 0.00 C ATOM 1318 C ASP A 83 9.932 12.227 -14.247 1.00 0.00 C ATOM 1319 O ASP A 83 8.869 12.744 -13.913 1.00 0.00 O ATOM 1320 CB ASP A 83 9.541 10.848 -16.360 1.00 0.00 C ATOM 1321 CG ASP A 83 10.640 11.471 -17.248 1.00 0.00 C ATOM 1322 OD1 ASP A 83 11.524 10.727 -17.720 1.00 0.00 O ATOM 1323 OD2 ASP A 83 10.628 12.702 -17.480 1.00 0.00 O ATOM 0 H ASP A 83 8.180 9.632 -14.715 1.00 0.00 H new ATOM 0 HA ASP A 83 10.911 10.370 -14.748 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.335 9.836 -16.707 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.621 11.420 -16.480 1.00 0.00 H new ATOM 1328 N PRO A 84 11.132 12.873 -14.074 1.00 0.00 N ATOM 1329 CA PRO A 84 11.247 14.265 -13.540 1.00 0.00 C ATOM 1330 C PRO A 84 10.844 15.380 -14.552 1.00 0.00 C ATOM 1331 O PRO A 84 11.146 16.557 -14.314 1.00 0.00 O ATOM 1332 CB PRO A 84 12.749 14.354 -13.155 1.00 0.00 C ATOM 1333 CG PRO A 84 13.423 13.439 -14.128 1.00 0.00 C ATOM 1334 CD PRO A 84 12.478 12.279 -14.317 1.00 0.00 C ATOM 0 HA PRO A 84 10.558 14.438 -12.713 1.00 0.00 H new ATOM 0 HB2 PRO A 84 13.124 15.374 -13.240 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.917 14.037 -12.126 1.00 0.00 H new ATOM 0 HG2 PRO A 84 13.615 13.946 -15.074 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.386 13.101 -13.746 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.555 11.860 -15.320 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.691 11.471 -13.617 1.00 0.00 H new ATOM 1342 N LEU A 85 10.168 14.988 -15.660 1.00 0.00 N ATOM 1343 CA LEU A 85 9.562 15.908 -16.661 1.00 0.00 C ATOM 1344 C LEU A 85 10.613 16.804 -17.355 1.00 0.00 C ATOM 1345 O LEU A 85 10.336 17.968 -17.667 1.00 0.00 O ATOM 1346 CB LEU A 85 8.407 16.765 -16.049 1.00 0.00 C ATOM 1347 CG LEU A 85 7.140 15.987 -15.571 1.00 0.00 C ATOM 1348 CD1 LEU A 85 7.303 15.400 -14.157 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.896 16.869 -15.661 1.00 0.00 C ATOM 0 H LEU A 85 10.025 14.005 -15.890 1.00 0.00 H new ATOM 0 HA LEU A 85 9.127 15.270 -17.430 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.807 17.320 -15.200 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.096 17.499 -16.792 1.00 0.00 H new ATOM 0 HG LEU A 85 7.015 15.140 -16.246 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.393 14.870 -13.876 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.144 14.707 -14.145 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.487 16.206 -13.447 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.026 16.306 -15.323 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.027 17.748 -15.030 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.746 17.183 -16.694 1.00 0.00 H new ATOM 1361 N LYS A 86 11.800 16.231 -17.618 1.00 0.00 N ATOM 1362 CA LYS A 86 12.944 16.948 -18.231 1.00 0.00 C ATOM 1363 C LYS A 86 12.559 17.623 -19.575 1.00 0.00 C ATOM 1364 O LYS A 86 12.552 18.870 -19.652 1.00 0.00 O ATOM 1365 CB LYS A 86 14.125 15.965 -18.452 1.00 0.00 C ATOM 1366 CG LYS A 86 14.746 15.397 -17.163 1.00 0.00 C ATOM 1367 CD LYS A 86 15.406 16.480 -16.282 1.00 0.00 C ATOM 1368 CE LYS A 86 16.088 15.887 -15.036 1.00 0.00 C ATOM 1369 NZ LYS A 86 16.691 16.933 -14.181 1.00 0.00 N ATOM 1370 OXT LYS A 86 12.237 16.901 -20.537 1.00 0.00 O ATOM 0 H LYS A 86 11.999 15.252 -17.412 1.00 0.00 H new ATOM 0 HA LYS A 86 13.244 17.738 -17.542 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.777 15.135 -19.067 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.903 16.477 -19.018 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.972 14.890 -16.587 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.491 14.646 -17.426 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.143 17.025 -16.872 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.651 17.201 -15.971 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.357 15.323 -14.457 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.860 15.183 -15.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.139 16.490 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.408 17.455 -14.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.951 17.591 -13.863 1.00 0.00 H new TER 1384 LYS A 86