USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 928 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: E 17 THR OG1 : rot 15:sc= 0.553 USER MOD Set 1.2: E 27 GLN :FLIP amide:sc= 0.326 F(o=-5.2!,f=0.88) USER MOD Set 2.1: D 31 ASN : amide:sc= -5.23! C(o=-9.8!,f=-10!) USER MOD Set 2.2: D 35 HIS : no HD1:sc= -4.59! C(o=-9.8!,f=-9.7!) USER MOD Single : D 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 6 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : D 8 LYS NZ :NH3+ -140:sc= 0.0995 (180deg=0) USER MOD Single : D 10 TYR OH : rot -140:sc= 0.0379 USER MOD Single : D 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 16 GLN : amide:sc= -0.341 K(o=-0.34,f=-3.8!) USER MOD Single : D 17 THR OG1 : rot 180:sc= 0 USER MOD Single : D 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.015) USER MOD Single : D 19 THR OG1 : rot -63:sc= 0.767 USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 26 TYR OH : rot 180:sc= 0 USER MOD Single : D 27 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.39) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 43 THR OG1 : rot 180:sc= 0.121 USER MOD Single : D 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 49 SER OG : rot 180:sc= 0 USER MOD Single : D 51 TYR OH : rot 180:sc= 0 USER MOD Single : D 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0257) USER MOD Single : E 3 GLN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : E 6 THR OG1 : rot 95:sc= 0.0897 USER MOD Single : E 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 10 TYR OH : rot 180:sc= -0.519 USER MOD Single : E 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : E 16 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.17) USER MOD Single : E 18 LYS NZ :NH3+ 138:sc= -0.879 (180deg=-3.05!) USER MOD Single : E 19 THR OG1 : rot -76:sc= 0.922 USER MOD Single : E 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 26 TYR OH : rot 180:sc= 0 USER MOD Single : E 28 SER OG : rot 180:sc= 0 USER MOD Single : E 31 ASN : amide:sc= -0.0507 K(o=-0.051,f=-2!) USER MOD Single : E 32 LYS NZ :NH3+ 140:sc= -0.321 (180deg=-1.68!) USER MOD Single : E 35 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.79) USER MOD Single : E 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 43 THR OG1 : rot 126:sc= -0.778! USER MOD Single : E 45 ASN : amide:sc= -0.421 K(o=-0.42,f=-3.6!) USER MOD Single : E 49 SER OG : rot 180:sc= -0.167 USER MOD Single : E 51 TYR OH : rot 180:sc= 0 USER MOD Single : E 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU D 2 -18.371 18.649 -12.286 1.00 0.00 N ATOM 21 CA GLU D 2 -18.124 17.297 -12.861 1.00 0.00 C ATOM 22 C GLU D 2 -18.678 16.232 -11.913 1.00 0.00 C ATOM 23 O GLU D 2 -18.498 16.302 -10.713 1.00 0.00 O ATOM 24 CB GLU D 2 -16.617 17.088 -13.037 1.00 0.00 C ATOM 25 CG GLU D 2 -16.133 17.868 -14.260 1.00 0.00 C ATOM 26 CD GLU D 2 -14.604 17.940 -14.249 1.00 0.00 C ATOM 27 OE1 GLU D 2 -13.986 16.938 -13.928 1.00 0.00 O ATOM 28 OE2 GLU D 2 -14.079 18.997 -14.560 1.00 0.00 O ATOM 0 HA GLU D 2 -18.619 17.216 -13.829 1.00 0.00 H new ATOM 0 HB2 GLU D 2 -16.086 17.423 -12.146 1.00 0.00 H new ATOM 0 HB3 GLU D 2 -16.398 16.027 -13.159 1.00 0.00 H new ATOM 0 HG2 GLU D 2 -16.478 17.383 -15.173 1.00 0.00 H new ATOM 0 HG3 GLU D 2 -16.555 18.873 -14.254 1.00 0.00 H new ATOM 35 N GLN D 3 -19.352 15.247 -12.441 1.00 0.00 N ATOM 36 CA GLN D 3 -19.919 14.179 -11.569 1.00 0.00 C ATOM 37 C GLN D 3 -18.886 13.067 -11.379 1.00 0.00 C ATOM 38 O GLN D 3 -18.735 12.199 -12.215 1.00 0.00 O ATOM 39 CB GLN D 3 -21.175 13.598 -12.221 1.00 0.00 C ATOM 40 CG GLN D 3 -22.347 14.559 -12.019 1.00 0.00 C ATOM 41 CD GLN D 3 -23.597 13.993 -12.695 1.00 0.00 C ATOM 42 OE1 GLN D 3 -24.526 13.576 -12.032 1.00 0.00 O ATOM 43 NE2 GLN D 3 -23.662 13.961 -13.999 1.00 0.00 N ATOM 0 H GLN D 3 -19.535 15.136 -13.438 1.00 0.00 H new ATOM 0 HA GLN D 3 -20.176 14.606 -10.599 1.00 0.00 H new ATOM 0 HB2 GLN D 3 -21.003 13.436 -13.285 1.00 0.00 H new ATOM 0 HB3 GLN D 3 -21.408 12.627 -11.784 1.00 0.00 H new ATOM 0 HG2 GLN D 3 -22.531 14.705 -10.955 1.00 0.00 H new ATOM 0 HG3 GLN D 3 -22.106 15.536 -12.438 1.00 0.00 H new ATOM 0 HE21 GLN D 3 -22.883 14.311 -14.557 1.00 0.00 H new ATOM 0 HE22 GLN D 3 -24.492 13.586 -14.459 1.00 0.00 H new ATOM 52 N ARG D 4 -18.177 13.081 -10.283 1.00 0.00 N ATOM 53 CA ARG D 4 -17.159 12.020 -10.042 1.00 0.00 C ATOM 54 C ARG D 4 -17.812 10.851 -9.298 1.00 0.00 C ATOM 55 O ARG D 4 -18.176 10.963 -8.145 1.00 0.00 O ATOM 56 CB ARG D 4 -16.014 12.592 -9.201 1.00 0.00 C ATOM 57 CG ARG D 4 -15.453 13.848 -9.877 1.00 0.00 C ATOM 58 CD ARG D 4 -15.276 13.594 -11.377 1.00 0.00 C ATOM 59 NE ARG D 4 -14.094 14.354 -11.876 1.00 0.00 N ATOM 60 CZ ARG D 4 -12.956 14.284 -11.241 1.00 0.00 C ATOM 61 NH1 ARG D 4 -12.124 13.310 -11.498 1.00 0.00 N ATOM 62 NH2 ARG D 4 -12.649 15.186 -10.351 1.00 0.00 N ATOM 0 H ARG D 4 -18.259 13.781 -9.545 1.00 0.00 H new ATOM 0 HA ARG D 4 -16.764 11.668 -10.995 1.00 0.00 H new ATOM 0 HB2 ARG D 4 -16.371 12.835 -8.200 1.00 0.00 H new ATOM 0 HB3 ARG D 4 -15.227 11.847 -9.086 1.00 0.00 H new ATOM 0 HG2 ARG D 4 -16.127 14.690 -9.718 1.00 0.00 H new ATOM 0 HG3 ARG D 4 -14.496 14.117 -9.429 1.00 0.00 H new ATOM 0 HD2 ARG D 4 -15.141 12.528 -11.562 1.00 0.00 H new ATOM 0 HD3 ARG D 4 -16.172 13.900 -11.916 1.00 0.00 H new ATOM 0 HE ARG D 4 -14.175 14.929 -12.714 1.00 0.00 H new ATOM 0 HH11 ARG D 4 -12.364 12.605 -12.195 1.00 0.00 H new ATOM 0 HH12 ARG D 4 -11.234 13.255 -11.002 1.00 0.00 H new ATOM 0 HH21 ARG D 4 -13.298 15.947 -10.151 1.00 0.00 H new ATOM 0 HH22 ARG D 4 -11.759 15.131 -9.855 1.00 0.00 H new ATOM 76 N ILE D 5 -17.964 9.730 -9.949 1.00 0.00 N ATOM 77 CA ILE D 5 -18.596 8.556 -9.281 1.00 0.00 C ATOM 78 C ILE D 5 -17.764 7.309 -9.579 1.00 0.00 C ATOM 79 O ILE D 5 -17.295 7.121 -10.680 1.00 0.00 O ATOM 80 CB ILE D 5 -20.018 8.356 -9.817 1.00 0.00 C ATOM 81 CG1 ILE D 5 -20.596 9.702 -10.272 1.00 0.00 C ATOM 82 CG2 ILE D 5 -20.904 7.765 -8.717 1.00 0.00 C ATOM 83 CD1 ILE D 5 -20.844 10.602 -9.058 1.00 0.00 C ATOM 0 H ILE D 5 -17.678 9.576 -10.916 1.00 0.00 H new ATOM 0 HA ILE D 5 -18.640 8.728 -8.206 1.00 0.00 H new ATOM 0 HB ILE D 5 -19.987 7.672 -10.665 1.00 0.00 H new ATOM 0 HG12 ILE D 5 -19.906 10.189 -10.961 1.00 0.00 H new ATOM 0 HG13 ILE D 5 -21.528 9.542 -10.813 1.00 0.00 H new ATOM 0 HG21 ILE D 5 -21.915 7.624 -9.100 1.00 0.00 H new ATOM 0 HG22 ILE D 5 -20.498 6.804 -8.400 1.00 0.00 H new ATOM 0 HG23 ILE D 5 -20.931 8.446 -7.866 1.00 0.00 H new ATOM 0 HD11 ILE D 5 -21.254 11.556 -9.390 1.00 0.00 H new ATOM 0 HD12 ILE D 5 -21.551 10.118 -8.384 1.00 0.00 H new ATOM 0 HD13 ILE D 5 -19.904 10.774 -8.535 1.00 0.00 H new ATOM 95 N THR D 6 -17.574 6.457 -8.612 1.00 0.00 N ATOM 96 CA THR D 6 -16.767 5.227 -8.856 1.00 0.00 C ATOM 97 C THR D 6 -17.589 4.230 -9.677 1.00 0.00 C ATOM 98 O THR D 6 -18.800 4.208 -9.611 1.00 0.00 O ATOM 99 CB THR D 6 -16.385 4.594 -7.516 1.00 0.00 C ATOM 100 OG1 THR D 6 -16.467 5.574 -6.491 1.00 0.00 O ATOM 101 CG2 THR D 6 -14.956 4.055 -7.594 1.00 0.00 C ATOM 0 H THR D 6 -17.941 6.557 -7.665 1.00 0.00 H new ATOM 0 HA THR D 6 -15.863 5.489 -9.405 1.00 0.00 H new ATOM 0 HB THR D 6 -17.069 3.775 -7.292 1.00 0.00 H new ATOM 0 HG1 THR D 6 -16.224 5.170 -5.632 1.00 0.00 H new ATOM 0 HG21 THR D 6 -14.685 3.604 -6.639 1.00 0.00 H new ATOM 0 HG22 THR D 6 -14.893 3.304 -8.381 1.00 0.00 H new ATOM 0 HG23 THR D 6 -14.270 4.872 -7.817 1.00 0.00 H new ATOM 109 N LEU D 7 -16.936 3.403 -10.445 1.00 0.00 N ATOM 110 CA LEU D 7 -17.673 2.402 -11.267 1.00 0.00 C ATOM 111 C LEU D 7 -18.505 1.511 -10.345 1.00 0.00 C ATOM 112 O LEU D 7 -19.452 0.874 -10.761 1.00 0.00 O ATOM 113 CB LEU D 7 -16.662 1.541 -12.033 1.00 0.00 C ATOM 114 CG LEU D 7 -17.374 0.352 -12.684 1.00 0.00 C ATOM 115 CD1 LEU D 7 -18.149 0.827 -13.914 1.00 0.00 C ATOM 116 CD2 LEU D 7 -16.336 -0.689 -13.108 1.00 0.00 C ATOM 0 H LEU D 7 -15.921 3.377 -10.539 1.00 0.00 H new ATOM 0 HA LEU D 7 -18.330 2.911 -11.973 1.00 0.00 H new ATOM 0 HB2 LEU D 7 -16.166 2.141 -12.796 1.00 0.00 H new ATOM 0 HB3 LEU D 7 -15.887 1.184 -11.354 1.00 0.00 H new ATOM 0 HG LEU D 7 -18.068 -0.091 -11.969 1.00 0.00 H new ATOM 0 HD11 LEU D 7 -18.655 -0.021 -14.375 1.00 0.00 H new ATOM 0 HD12 LEU D 7 -18.888 1.570 -13.614 1.00 0.00 H new ATOM 0 HD13 LEU D 7 -17.458 1.271 -14.631 1.00 0.00 H new ATOM 0 HD21 LEU D 7 -16.840 -1.537 -13.572 1.00 0.00 H new ATOM 0 HD22 LEU D 7 -15.644 -0.243 -13.822 1.00 0.00 H new ATOM 0 HD23 LEU D 7 -15.784 -1.030 -12.232 1.00 0.00 H new ATOM 128 N LYS D 8 -18.151 1.457 -9.091 1.00 0.00 N ATOM 129 CA LYS D 8 -18.906 0.601 -8.136 1.00 0.00 C ATOM 130 C LYS D 8 -20.067 1.391 -7.524 1.00 0.00 C ATOM 131 O LYS D 8 -21.048 0.824 -7.091 1.00 0.00 O ATOM 132 CB LYS D 8 -17.960 0.140 -7.026 1.00 0.00 C ATOM 133 CG LYS D 8 -17.572 1.335 -6.154 1.00 0.00 C ATOM 134 CD LYS D 8 -18.076 1.111 -4.727 1.00 0.00 C ATOM 135 CE LYS D 8 -18.090 2.442 -3.974 1.00 0.00 C ATOM 136 NZ LYS D 8 -19.126 2.394 -2.904 1.00 0.00 N ATOM 0 H LYS D 8 -17.369 1.971 -8.686 1.00 0.00 H new ATOM 0 HA LYS D 8 -19.309 -0.263 -8.665 1.00 0.00 H new ATOM 0 HB2 LYS D 8 -18.442 -0.625 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS D 8 -17.068 -0.312 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS D 8 -16.489 1.462 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS D 8 -18.000 2.251 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS D 8 -19.078 0.682 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS D 8 -17.434 0.397 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS D 8 -17.110 2.636 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS D 8 -18.300 3.260 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 -19.619 3.308 -2.857 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 -19.811 1.642 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 -18.672 2.198 -1.989 1.00 0.00 H new ATOM 150 N ASP D 9 -19.965 2.691 -7.479 1.00 0.00 N ATOM 151 CA ASP D 9 -21.070 3.499 -6.883 1.00 0.00 C ATOM 152 C ASP D 9 -22.164 3.735 -7.924 1.00 0.00 C ATOM 153 O ASP D 9 -23.338 3.745 -7.613 1.00 0.00 O ATOM 154 CB ASP D 9 -20.519 4.844 -6.407 1.00 0.00 C ATOM 155 CG ASP D 9 -20.527 4.891 -4.879 1.00 0.00 C ATOM 156 OD1 ASP D 9 -21.605 4.837 -4.310 1.00 0.00 O ATOM 157 OD2 ASP D 9 -19.455 4.982 -4.302 1.00 0.00 O ATOM 0 H ASP D 9 -19.170 3.227 -7.826 1.00 0.00 H new ATOM 0 HA ASP D 9 -21.493 2.957 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP D 9 -19.504 4.985 -6.780 1.00 0.00 H new ATOM 0 HB3 ASP D 9 -21.122 5.658 -6.809 1.00 0.00 H new ATOM 162 N TYR D 10 -21.792 3.925 -9.155 1.00 0.00 N ATOM 163 CA TYR D 10 -22.810 4.155 -10.214 1.00 0.00 C ATOM 164 C TYR D 10 -23.400 2.808 -10.633 1.00 0.00 C ATOM 165 O TYR D 10 -24.567 2.699 -10.955 1.00 0.00 O ATOM 166 CB TYR D 10 -22.139 4.834 -11.415 1.00 0.00 C ATOM 167 CG TYR D 10 -23.018 4.717 -12.641 1.00 0.00 C ATOM 168 CD1 TYR D 10 -24.398 4.923 -12.538 1.00 0.00 C ATOM 169 CD2 TYR D 10 -22.447 4.407 -13.881 1.00 0.00 C ATOM 170 CE1 TYR D 10 -25.208 4.816 -13.674 1.00 0.00 C ATOM 171 CE2 TYR D 10 -23.257 4.302 -15.018 1.00 0.00 C ATOM 172 CZ TYR D 10 -24.638 4.505 -14.915 1.00 0.00 C ATOM 173 OH TYR D 10 -25.436 4.402 -16.036 1.00 0.00 O ATOM 0 H TYR D 10 -20.824 3.931 -9.476 1.00 0.00 H new ATOM 0 HA TYR D 10 -23.608 4.797 -9.841 1.00 0.00 H new ATOM 0 HB2 TYR D 10 -21.953 5.884 -11.191 1.00 0.00 H new ATOM 0 HB3 TYR D 10 -21.170 4.373 -11.608 1.00 0.00 H new ATOM 0 HD1 TYR D 10 -24.838 5.165 -11.582 1.00 0.00 H new ATOM 0 HD2 TYR D 10 -21.382 4.249 -13.960 1.00 0.00 H new ATOM 0 HE1 TYR D 10 -26.273 4.973 -13.594 1.00 0.00 H new ATOM 0 HE2 TYR D 10 -22.816 4.064 -15.975 1.00 0.00 H new ATOM 0 HH TYR D 10 -25.133 3.649 -16.585 1.00 0.00 H new ATOM 183 N ALA D 11 -22.598 1.781 -10.627 1.00 0.00 N ATOM 184 CA ALA D 11 -23.097 0.436 -11.028 1.00 0.00 C ATOM 185 C ALA D 11 -23.889 -0.208 -9.881 1.00 0.00 C ATOM 186 O ALA D 11 -24.795 -0.984 -10.110 1.00 0.00 O ATOM 187 CB ALA D 11 -21.906 -0.456 -11.383 1.00 0.00 C ATOM 0 H ALA D 11 -21.614 1.815 -10.361 1.00 0.00 H new ATOM 0 HA ALA D 11 -23.754 0.546 -11.890 1.00 0.00 H new ATOM 0 HB1 ALA D 11 -22.265 -1.442 -11.677 1.00 0.00 H new ATOM 0 HB2 ALA D 11 -21.351 -0.010 -12.209 1.00 0.00 H new ATOM 0 HB3 ALA D 11 -21.252 -0.552 -10.516 1.00 0.00 H new ATOM 193 N MET D 12 -23.554 0.089 -8.652 1.00 0.00 N ATOM 194 CA MET D 12 -24.297 -0.535 -7.517 1.00 0.00 C ATOM 195 C MET D 12 -25.488 0.336 -7.112 1.00 0.00 C ATOM 196 O MET D 12 -26.538 -0.159 -6.756 1.00 0.00 O ATOM 197 CB MET D 12 -23.364 -0.696 -6.315 1.00 0.00 C ATOM 198 CG MET D 12 -22.399 -1.857 -6.566 1.00 0.00 C ATOM 199 SD MET D 12 -22.880 -3.272 -5.547 1.00 0.00 S ATOM 200 CE MET D 12 -21.340 -4.207 -5.713 1.00 0.00 C ATOM 0 H MET D 12 -22.806 0.730 -8.387 1.00 0.00 H new ATOM 0 HA MET D 12 -24.661 -1.511 -7.838 1.00 0.00 H new ATOM 0 HB2 MET D 12 -22.805 0.225 -6.150 1.00 0.00 H new ATOM 0 HB3 MET D 12 -23.946 -0.882 -5.412 1.00 0.00 H new ATOM 0 HG2 MET D 12 -22.412 -2.133 -7.620 1.00 0.00 H new ATOM 0 HG3 MET D 12 -21.379 -1.554 -6.329 1.00 0.00 H new ATOM 0 HE1 MET D 12 -21.417 -5.138 -5.151 1.00 0.00 H new ATOM 0 HE2 MET D 12 -21.162 -4.432 -6.765 1.00 0.00 H new ATOM 0 HE3 MET D 12 -20.511 -3.615 -5.324 1.00 0.00 H new ATOM 210 N ARG D 13 -25.330 1.628 -7.148 1.00 0.00 N ATOM 211 CA ARG D 13 -26.452 2.524 -6.748 1.00 0.00 C ATOM 212 C ARG D 13 -27.429 2.702 -7.912 1.00 0.00 C ATOM 213 O ARG D 13 -28.566 3.083 -7.720 1.00 0.00 O ATOM 214 CB ARG D 13 -25.894 3.890 -6.339 1.00 0.00 C ATOM 215 CG ARG D 13 -25.002 3.729 -5.108 1.00 0.00 C ATOM 216 CD ARG D 13 -24.769 5.097 -4.464 1.00 0.00 C ATOM 217 NE ARG D 13 -24.317 4.911 -3.056 1.00 0.00 N ATOM 218 CZ ARG D 13 -25.195 4.826 -2.093 1.00 0.00 C ATOM 219 NH1 ARG D 13 -26.114 5.743 -1.964 1.00 0.00 N ATOM 220 NH2 ARG D 13 -25.153 3.824 -1.258 1.00 0.00 N ATOM 0 H ARG D 13 -24.475 2.103 -7.436 1.00 0.00 H new ATOM 0 HA ARG D 13 -26.980 2.075 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG D 13 -25.323 4.322 -7.161 1.00 0.00 H new ATOM 0 HB3 ARG D 13 -26.711 4.578 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG D 13 -25.470 3.053 -4.392 1.00 0.00 H new ATOM 0 HG3 ARG D 13 -24.049 3.282 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG D 13 -24.020 5.654 -5.027 1.00 0.00 H new ATOM 0 HD3 ARG D 13 -25.687 5.684 -4.488 1.00 0.00 H new ATOM 0 HE ARG D 13 -23.321 4.850 -2.844 1.00 0.00 H new ATOM 0 HH11 ARG D 13 -26.147 6.527 -2.616 1.00 0.00 H new ATOM 0 HH12 ARG D 13 -26.799 5.676 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG D 13 -24.434 3.107 -1.357 1.00 0.00 H new ATOM 0 HH22 ARG D 13 -25.839 3.758 -0.506 1.00 0.00 H new ATOM 234 N PHE D 14 -27.004 2.436 -9.116 1.00 0.00 N ATOM 235 CA PHE D 14 -27.928 2.605 -10.273 1.00 0.00 C ATOM 236 C PHE D 14 -28.138 1.263 -10.976 1.00 0.00 C ATOM 237 O PHE D 14 -29.213 0.971 -11.462 1.00 0.00 O ATOM 238 CB PHE D 14 -27.332 3.618 -11.249 1.00 0.00 C ATOM 239 CG PHE D 14 -26.972 4.876 -10.494 1.00 0.00 C ATOM 240 CD1 PHE D 14 -25.932 4.857 -9.554 1.00 0.00 C ATOM 241 CD2 PHE D 14 -27.684 6.058 -10.726 1.00 0.00 C ATOM 242 CE1 PHE D 14 -25.604 6.022 -8.851 1.00 0.00 C ATOM 243 CE2 PHE D 14 -27.356 7.223 -10.021 1.00 0.00 C ATOM 244 CZ PHE D 14 -26.316 7.205 -9.084 1.00 0.00 C ATOM 0 H PHE D 14 -26.065 2.112 -9.348 1.00 0.00 H new ATOM 0 HA PHE D 14 -28.892 2.967 -9.917 1.00 0.00 H new ATOM 0 HB2 PHE D 14 -26.447 3.201 -11.730 1.00 0.00 H new ATOM 0 HB3 PHE D 14 -28.047 3.845 -12.039 1.00 0.00 H new ATOM 0 HD1 PHE D 14 -25.384 3.944 -9.372 1.00 0.00 H new ATOM 0 HD2 PHE D 14 -28.486 6.072 -11.449 1.00 0.00 H new ATOM 0 HE1 PHE D 14 -24.801 6.009 -8.128 1.00 0.00 H new ATOM 0 HE2 PHE D 14 -27.905 8.135 -10.200 1.00 0.00 H new ATOM 0 HZ PHE D 14 -26.063 8.104 -8.541 1.00 0.00 H new ATOM 254 N GLY D 15 -27.128 0.443 -11.030 1.00 0.00 N ATOM 255 CA GLY D 15 -27.282 -0.880 -11.700 1.00 0.00 C ATOM 256 C GLY D 15 -26.048 -1.174 -12.554 1.00 0.00 C ATOM 257 O GLY D 15 -25.617 -0.357 -13.344 1.00 0.00 O ATOM 0 H GLY D 15 -26.204 0.629 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY D 15 -27.414 -1.663 -10.953 1.00 0.00 H new ATOM 0 HA3 GLY D 15 -28.176 -0.880 -12.324 1.00 0.00 H new ATOM 261 N GLN D 16 -25.477 -2.337 -12.403 1.00 0.00 N ATOM 262 CA GLN D 16 -24.274 -2.689 -13.205 1.00 0.00 C ATOM 263 C GLN D 16 -24.660 -2.797 -14.681 1.00 0.00 C ATOM 264 O GLN D 16 -23.880 -2.493 -15.561 1.00 0.00 O ATOM 265 CB GLN D 16 -23.713 -4.028 -12.722 1.00 0.00 C ATOM 266 CG GLN D 16 -23.093 -3.850 -11.334 1.00 0.00 C ATOM 267 CD GLN D 16 -23.676 -4.892 -10.376 1.00 0.00 C ATOM 268 OE1 GLN D 16 -24.429 -5.753 -10.784 1.00 0.00 O ATOM 269 NE2 GLN D 16 -23.357 -4.849 -9.112 1.00 0.00 N ATOM 0 H GLN D 16 -25.793 -3.060 -11.757 1.00 0.00 H new ATOM 0 HA GLN D 16 -23.516 -1.915 -13.084 1.00 0.00 H new ATOM 0 HB2 GLN D 16 -24.506 -4.775 -12.685 1.00 0.00 H new ATOM 0 HB3 GLN D 16 -22.963 -4.394 -13.423 1.00 0.00 H new ATOM 0 HG2 GLN D 16 -22.010 -3.959 -11.391 1.00 0.00 H new ATOM 0 HG3 GLN D 16 -23.293 -2.846 -10.961 1.00 0.00 H new ATOM 0 HE21 GLN D 16 -22.724 -4.126 -8.770 1.00 0.00 H new ATOM 0 HE22 GLN D 16 -23.740 -5.539 -8.466 1.00 0.00 H new ATOM 278 N THR D 17 -25.860 -3.224 -14.958 1.00 0.00 N ATOM 279 CA THR D 17 -26.299 -3.346 -16.376 1.00 0.00 C ATOM 280 C THR D 17 -26.415 -1.949 -16.989 1.00 0.00 C ATOM 281 O THR D 17 -26.198 -1.758 -18.169 1.00 0.00 O ATOM 282 CB THR D 17 -27.660 -4.045 -16.433 1.00 0.00 C ATOM 283 OG1 THR D 17 -27.554 -5.335 -15.848 1.00 0.00 O ATOM 284 CG2 THR D 17 -28.104 -4.178 -17.891 1.00 0.00 C ATOM 0 H THR D 17 -26.556 -3.494 -14.263 1.00 0.00 H new ATOM 0 HA THR D 17 -25.570 -3.932 -16.936 1.00 0.00 H new ATOM 0 HB THR D 17 -28.395 -3.457 -15.883 1.00 0.00 H new ATOM 0 HG1 THR D 17 -28.425 -5.782 -15.883 1.00 0.00 H new ATOM 0 HG21 THR D 17 -29.073 -4.676 -17.932 1.00 0.00 H new ATOM 0 HG22 THR D 17 -28.185 -3.187 -18.338 1.00 0.00 H new ATOM 0 HG23 THR D 17 -27.370 -4.766 -18.443 1.00 0.00 H new ATOM 292 N LYS D 18 -26.755 -0.971 -16.194 1.00 0.00 N ATOM 293 CA LYS D 18 -26.882 0.413 -16.728 1.00 0.00 C ATOM 294 C LYS D 18 -25.489 1.002 -16.946 1.00 0.00 C ATOM 295 O LYS D 18 -25.260 1.755 -17.873 1.00 0.00 O ATOM 296 CB LYS D 18 -27.648 1.279 -15.725 1.00 0.00 C ATOM 297 CG LYS D 18 -29.076 0.750 -15.584 1.00 0.00 C ATOM 298 CD LYS D 18 -29.641 1.168 -14.225 1.00 0.00 C ATOM 299 CE LYS D 18 -31.163 1.292 -14.321 1.00 0.00 C ATOM 300 NZ LYS D 18 -31.762 -0.061 -14.493 1.00 0.00 N ATOM 0 H LYS D 18 -26.950 -1.072 -15.198 1.00 0.00 H new ATOM 0 HA LYS D 18 -27.422 0.389 -17.675 1.00 0.00 H new ATOM 0 HB2 LYS D 18 -27.146 1.265 -14.758 1.00 0.00 H new ATOM 0 HB3 LYS D 18 -27.664 2.316 -16.061 1.00 0.00 H new ATOM 0 HG2 LYS D 18 -29.701 1.142 -16.386 1.00 0.00 H new ATOM 0 HG3 LYS D 18 -29.084 -0.336 -15.675 1.00 0.00 H new ATOM 0 HD2 LYS D 18 -29.373 0.433 -13.466 1.00 0.00 H new ATOM 0 HD3 LYS D 18 -29.207 2.119 -13.916 1.00 0.00 H new ATOM 0 HE2 LYS D 18 -31.557 1.764 -13.421 1.00 0.00 H new ATOM 0 HE3 LYS D 18 -31.434 1.931 -15.161 1.00 0.00 H new ATOM 0 HZ1 LYS D 18 -32.799 0.013 -14.473 1.00 0.00 H new ATOM 0 HZ2 LYS D 18 -31.461 -0.461 -15.405 1.00 0.00 H new ATOM 0 HZ3 LYS D 18 -31.445 -0.682 -13.721 1.00 0.00 H new ATOM 314 N THR D 19 -24.557 0.665 -16.101 1.00 0.00 N ATOM 315 CA THR D 19 -23.179 1.203 -16.260 1.00 0.00 C ATOM 316 C THR D 19 -22.561 0.643 -17.543 1.00 0.00 C ATOM 317 O THR D 19 -21.889 1.343 -18.275 1.00 0.00 O ATOM 318 CB THR D 19 -22.328 0.794 -15.053 1.00 0.00 C ATOM 319 OG1 THR D 19 -22.916 1.315 -13.867 1.00 0.00 O ATOM 320 CG2 THR D 19 -20.910 1.351 -15.206 1.00 0.00 C ATOM 0 H THR D 19 -24.690 0.040 -15.306 1.00 0.00 H new ATOM 0 HA THR D 19 -23.215 2.291 -16.321 1.00 0.00 H new ATOM 0 HB THR D 19 -22.282 -0.293 -14.994 1.00 0.00 H new ATOM 0 HG1 THR D 19 -22.915 2.294 -13.904 1.00 0.00 H new ATOM 0 HG21 THR D 19 -20.309 1.057 -14.345 1.00 0.00 H new ATOM 0 HG22 THR D 19 -20.459 0.954 -16.116 1.00 0.00 H new ATOM 0 HG23 THR D 19 -20.951 2.439 -15.266 1.00 0.00 H new ATOM 328 N ALA D 20 -22.786 -0.610 -17.827 1.00 0.00 N ATOM 329 CA ALA D 20 -22.210 -1.208 -19.067 1.00 0.00 C ATOM 330 C ALA D 20 -22.991 -0.708 -20.285 1.00 0.00 C ATOM 331 O ALA D 20 -22.517 -0.764 -21.402 1.00 0.00 O ATOM 332 CB ALA D 20 -22.304 -2.733 -18.995 1.00 0.00 C ATOM 0 H ALA D 20 -23.343 -1.246 -17.256 1.00 0.00 H new ATOM 0 HA ALA D 20 -21.164 -0.914 -19.157 1.00 0.00 H new ATOM 0 HB1 ALA D 20 -21.883 -3.167 -19.902 1.00 0.00 H new ATOM 0 HB2 ALA D 20 -21.748 -3.091 -18.129 1.00 0.00 H new ATOM 0 HB3 ALA D 20 -23.349 -3.029 -18.903 1.00 0.00 H new ATOM 338 N LYS D 21 -24.183 -0.223 -20.079 1.00 0.00 N ATOM 339 CA LYS D 21 -24.994 0.278 -21.224 1.00 0.00 C ATOM 340 C LYS D 21 -24.498 1.664 -21.636 1.00 0.00 C ATOM 341 O LYS D 21 -24.513 2.020 -22.798 1.00 0.00 O ATOM 342 CB LYS D 21 -26.464 0.372 -20.805 1.00 0.00 C ATOM 343 CG LYS D 21 -27.249 -0.793 -21.412 1.00 0.00 C ATOM 344 CD LYS D 21 -26.614 -2.117 -20.986 1.00 0.00 C ATOM 345 CE LYS D 21 -26.587 -3.076 -22.178 1.00 0.00 C ATOM 346 NZ LYS D 21 -27.938 -3.674 -22.367 1.00 0.00 N ATOM 0 H LYS D 21 -24.632 -0.152 -19.166 1.00 0.00 H new ATOM 0 HA LYS D 21 -24.895 -0.409 -22.064 1.00 0.00 H new ATOM 0 HB2 LYS D 21 -26.544 0.350 -19.718 1.00 0.00 H new ATOM 0 HB3 LYS D 21 -26.887 1.320 -21.137 1.00 0.00 H new ATOM 0 HG2 LYS D 21 -28.288 -0.754 -21.084 1.00 0.00 H new ATOM 0 HG3 LYS D 21 -27.254 -0.714 -22.499 1.00 0.00 H new ATOM 0 HD2 LYS D 21 -25.602 -1.946 -20.620 1.00 0.00 H new ATOM 0 HD3 LYS D 21 -27.180 -2.557 -20.165 1.00 0.00 H new ATOM 0 HE2 LYS D 21 -26.284 -2.544 -23.080 1.00 0.00 H new ATOM 0 HE3 LYS D 21 -25.851 -3.862 -22.009 1.00 0.00 H new ATOM 0 HZ1 LYS D 21 -27.919 -4.326 -23.177 1.00 0.00 H new ATOM 0 HZ2 LYS D 21 -28.210 -4.196 -21.509 1.00 0.00 H new ATOM 0 HZ3 LYS D 21 -28.630 -2.919 -22.546 1.00 0.00 H new ATOM 360 N ASP D 22 -24.061 2.450 -20.693 1.00 0.00 N ATOM 361 CA ASP D 22 -23.568 3.815 -21.028 1.00 0.00 C ATOM 362 C ASP D 22 -22.119 3.731 -21.511 1.00 0.00 C ATOM 363 O ASP D 22 -21.683 4.508 -22.338 1.00 0.00 O ATOM 364 CB ASP D 22 -23.638 4.699 -19.783 1.00 0.00 C ATOM 365 CG ASP D 22 -24.104 6.102 -20.178 1.00 0.00 C ATOM 366 OD1 ASP D 22 -23.481 6.689 -21.048 1.00 0.00 O ATOM 367 OD2 ASP D 22 -25.076 6.566 -19.603 1.00 0.00 O ATOM 0 H ASP D 22 -24.024 2.206 -19.703 1.00 0.00 H new ATOM 0 HA ASP D 22 -24.189 4.243 -21.815 1.00 0.00 H new ATOM 0 HB2 ASP D 22 -24.326 4.267 -19.056 1.00 0.00 H new ATOM 0 HB3 ASP D 22 -22.660 4.750 -19.305 1.00 0.00 H new ATOM 372 N LEU D 23 -21.372 2.792 -21.002 1.00 0.00 N ATOM 373 CA LEU D 23 -19.951 2.658 -21.428 1.00 0.00 C ATOM 374 C LEU D 23 -19.869 1.713 -22.630 1.00 0.00 C ATOM 375 O LEU D 23 -18.857 1.629 -23.298 1.00 0.00 O ATOM 376 CB LEU D 23 -19.125 2.097 -20.268 1.00 0.00 C ATOM 377 CG LEU D 23 -18.904 3.197 -19.226 1.00 0.00 C ATOM 378 CD1 LEU D 23 -19.207 2.654 -17.830 1.00 0.00 C ATOM 379 CD2 LEU D 23 -17.449 3.666 -19.277 1.00 0.00 C ATOM 0 H LEU D 23 -21.684 2.111 -20.309 1.00 0.00 H new ATOM 0 HA LEU D 23 -19.557 3.634 -21.711 1.00 0.00 H new ATOM 0 HB2 LEU D 23 -19.641 1.250 -19.816 1.00 0.00 H new ATOM 0 HB3 LEU D 23 -18.167 1.729 -20.634 1.00 0.00 H new ATOM 0 HG LEU D 23 -19.568 4.034 -19.444 1.00 0.00 H new ATOM 0 HD11 LEU D 23 -19.048 3.440 -17.092 1.00 0.00 H new ATOM 0 HD12 LEU D 23 -20.243 2.319 -17.787 1.00 0.00 H new ATOM 0 HD13 LEU D 23 -18.545 1.815 -17.614 1.00 0.00 H new ATOM 0 HD21 LEU D 23 -17.293 4.449 -18.535 1.00 0.00 H new ATOM 0 HD22 LEU D 23 -16.788 2.826 -19.063 1.00 0.00 H new ATOM 0 HD23 LEU D 23 -17.228 4.058 -20.270 1.00 0.00 H new ATOM 391 N GLY D 24 -20.930 1.007 -22.916 1.00 0.00 N ATOM 392 CA GLY D 24 -20.916 0.076 -24.080 1.00 0.00 C ATOM 393 C GLY D 24 -20.181 -1.212 -23.707 1.00 0.00 C ATOM 394 O GLY D 24 -19.794 -1.985 -24.561 1.00 0.00 O ATOM 0 H GLY D 24 -21.806 1.035 -22.394 1.00 0.00 H new ATOM 0 HA2 GLY D 24 -21.937 -0.153 -24.386 1.00 0.00 H new ATOM 0 HA3 GLY D 24 -20.427 0.551 -24.931 1.00 0.00 H new ATOM 398 N VAL D 25 -19.983 -1.452 -22.440 1.00 0.00 N ATOM 399 CA VAL D 25 -19.268 -2.694 -22.024 1.00 0.00 C ATOM 400 C VAL D 25 -20.280 -3.820 -21.805 1.00 0.00 C ATOM 401 O VAL D 25 -21.449 -3.689 -22.110 1.00 0.00 O ATOM 402 CB VAL D 25 -18.488 -2.450 -20.726 1.00 0.00 C ATOM 403 CG1 VAL D 25 -17.119 -3.123 -20.829 1.00 0.00 C ATOM 404 CG2 VAL D 25 -18.294 -0.947 -20.502 1.00 0.00 C ATOM 0 H VAL D 25 -20.283 -0.845 -21.677 1.00 0.00 H new ATOM 0 HA VAL D 25 -18.568 -2.977 -22.811 1.00 0.00 H new ATOM 0 HB VAL D 25 -19.048 -2.867 -19.889 1.00 0.00 H new ATOM 0 HG11 VAL D 25 -16.560 -2.953 -19.909 1.00 0.00 H new ATOM 0 HG12 VAL D 25 -17.251 -4.194 -20.981 1.00 0.00 H new ATOM 0 HG13 VAL D 25 -16.569 -2.702 -21.671 1.00 0.00 H new ATOM 0 HG21 VAL D 25 -17.739 -0.786 -19.578 1.00 0.00 H new ATOM 0 HG22 VAL D 25 -17.738 -0.523 -21.338 1.00 0.00 H new ATOM 0 HG23 VAL D 25 -19.267 -0.461 -20.431 1.00 0.00 H new ATOM 414 N TYR D 26 -19.837 -4.932 -21.283 1.00 0.00 N ATOM 415 CA TYR D 26 -20.771 -6.075 -21.052 1.00 0.00 C ATOM 416 C TYR D 26 -20.933 -6.308 -19.548 1.00 0.00 C ATOM 417 O TYR D 26 -20.233 -5.728 -18.740 1.00 0.00 O ATOM 418 CB TYR D 26 -20.217 -7.351 -21.704 1.00 0.00 C ATOM 419 CG TYR D 26 -19.110 -7.004 -22.676 1.00 0.00 C ATOM 420 CD1 TYR D 26 -19.418 -6.668 -23.998 1.00 0.00 C ATOM 421 CD2 TYR D 26 -17.777 -7.015 -22.249 1.00 0.00 C ATOM 422 CE1 TYR D 26 -18.393 -6.341 -24.895 1.00 0.00 C ATOM 423 CE2 TYR D 26 -16.752 -6.691 -23.145 1.00 0.00 C ATOM 424 CZ TYR D 26 -17.060 -6.354 -24.468 1.00 0.00 C ATOM 425 OH TYR D 26 -16.050 -6.032 -25.352 1.00 0.00 O ATOM 0 H TYR D 26 -18.870 -5.100 -21.006 1.00 0.00 H new ATOM 0 HA TYR D 26 -21.738 -5.836 -21.495 1.00 0.00 H new ATOM 0 HB2 TYR D 26 -19.838 -8.025 -20.936 1.00 0.00 H new ATOM 0 HB3 TYR D 26 -21.016 -7.878 -22.225 1.00 0.00 H new ATOM 0 HD1 TYR D 26 -20.446 -6.661 -24.328 1.00 0.00 H new ATOM 0 HD2 TYR D 26 -17.539 -7.274 -21.228 1.00 0.00 H new ATOM 0 HE1 TYR D 26 -18.631 -6.079 -25.915 1.00 0.00 H new ATOM 0 HE2 TYR D 26 -15.724 -6.701 -22.816 1.00 0.00 H new ATOM 0 HH TYR D 26 -15.185 -6.089 -24.895 1.00 0.00 H new ATOM 435 N GLN D 27 -21.851 -7.154 -19.168 1.00 0.00 N ATOM 436 CA GLN D 27 -22.060 -7.429 -17.718 1.00 0.00 C ATOM 437 C GLN D 27 -20.861 -8.202 -17.165 1.00 0.00 C ATOM 438 O GLN D 27 -20.604 -8.201 -15.977 1.00 0.00 O ATOM 439 CB GLN D 27 -23.331 -8.261 -17.540 1.00 0.00 C ATOM 440 CG GLN D 27 -24.438 -7.699 -18.435 1.00 0.00 C ATOM 441 CD GLN D 27 -24.895 -8.776 -19.421 1.00 0.00 C ATOM 442 OE1 GLN D 27 -25.081 -9.917 -19.048 1.00 0.00 O ATOM 443 NE2 GLN D 27 -25.085 -8.459 -20.673 1.00 0.00 N ATOM 0 H GLN D 27 -22.466 -7.667 -19.800 1.00 0.00 H new ATOM 0 HA GLN D 27 -22.161 -6.487 -17.179 1.00 0.00 H new ATOM 0 HB2 GLN D 27 -23.136 -9.302 -17.796 1.00 0.00 H new ATOM 0 HB3 GLN D 27 -23.647 -8.243 -16.497 1.00 0.00 H new ATOM 0 HG2 GLN D 27 -25.279 -7.368 -17.826 1.00 0.00 H new ATOM 0 HG3 GLN D 27 -24.074 -6.826 -18.977 1.00 0.00 H new ATOM 0 HE21 GLN D 27 -24.929 -7.501 -20.986 1.00 0.00 H new ATOM 0 HE22 GLN D 27 -25.390 -9.169 -21.338 1.00 0.00 H new ATOM 452 N SER D 28 -20.124 -8.863 -18.016 1.00 0.00 N ATOM 453 CA SER D 28 -18.943 -9.634 -17.535 1.00 0.00 C ATOM 454 C SER D 28 -17.751 -8.690 -17.368 1.00 0.00 C ATOM 455 O SER D 28 -16.802 -8.991 -16.670 1.00 0.00 O ATOM 456 CB SER D 28 -18.593 -10.721 -18.552 1.00 0.00 C ATOM 457 OG SER D 28 -18.044 -11.841 -17.870 1.00 0.00 O ATOM 0 H SER D 28 -20.289 -8.902 -19.022 1.00 0.00 H new ATOM 0 HA SER D 28 -19.178 -10.096 -16.576 1.00 0.00 H new ATOM 0 HB2 SER D 28 -19.484 -11.018 -19.105 1.00 0.00 H new ATOM 0 HB3 SER D 28 -17.878 -10.338 -19.280 1.00 0.00 H new ATOM 0 HG SER D 28 -17.820 -12.541 -18.518 1.00 0.00 H new ATOM 463 N ALA D 29 -17.795 -7.548 -17.996 1.00 0.00 N ATOM 464 CA ALA D 29 -16.667 -6.586 -17.865 1.00 0.00 C ATOM 465 C ALA D 29 -16.913 -5.712 -16.640 1.00 0.00 C ATOM 466 O ALA D 29 -16.006 -5.374 -15.906 1.00 0.00 O ATOM 467 CB ALA D 29 -16.590 -5.711 -19.117 1.00 0.00 C ATOM 0 H ALA D 29 -18.562 -7.240 -18.593 1.00 0.00 H new ATOM 0 HA ALA D 29 -15.727 -7.126 -17.753 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -15.763 -5.007 -19.019 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -16.428 -6.341 -19.992 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -17.523 -5.160 -19.234 1.00 0.00 H new ATOM 473 N ILE D 30 -18.144 -5.356 -16.411 1.00 0.00 N ATOM 474 CA ILE D 30 -18.472 -4.517 -15.229 1.00 0.00 C ATOM 475 C ILE D 30 -18.353 -5.376 -13.970 1.00 0.00 C ATOM 476 O ILE D 30 -17.965 -4.908 -12.918 1.00 0.00 O ATOM 477 CB ILE D 30 -19.903 -3.996 -15.367 1.00 0.00 C ATOM 478 CG1 ILE D 30 -19.947 -2.904 -16.439 1.00 0.00 C ATOM 479 CG2 ILE D 30 -20.366 -3.419 -14.033 1.00 0.00 C ATOM 480 CD1 ILE D 30 -19.075 -1.723 -16.007 1.00 0.00 C ATOM 0 H ILE D 30 -18.940 -5.612 -16.995 1.00 0.00 H new ATOM 0 HA ILE D 30 -17.787 -3.672 -15.162 1.00 0.00 H new ATOM 0 HB ILE D 30 -20.562 -4.815 -15.656 1.00 0.00 H new ATOM 0 HG12 ILE D 30 -19.594 -3.301 -17.391 1.00 0.00 H new ATOM 0 HG13 ILE D 30 -20.974 -2.573 -16.593 1.00 0.00 H new ATOM 0 HG21 ILE D 30 -21.386 -3.048 -14.132 1.00 0.00 H new ATOM 0 HG22 ILE D 30 -20.335 -4.197 -13.270 1.00 0.00 H new ATOM 0 HG23 ILE D 30 -19.708 -2.600 -13.743 1.00 0.00 H new ATOM 0 HD11 ILE D 30 -19.108 -0.947 -16.772 1.00 0.00 H new ATOM 0 HD12 ILE D 30 -19.448 -1.320 -15.065 1.00 0.00 H new ATOM 0 HD13 ILE D 30 -18.046 -2.059 -15.875 1.00 0.00 H new ATOM 492 N ASN D 31 -18.675 -6.636 -14.077 1.00 0.00 N ATOM 493 CA ASN D 31 -18.572 -7.536 -12.897 1.00 0.00 C ATOM 494 C ASN D 31 -17.098 -7.831 -12.628 1.00 0.00 C ATOM 495 O ASN D 31 -16.655 -7.857 -11.498 1.00 0.00 O ATOM 496 CB ASN D 31 -19.313 -8.844 -13.185 1.00 0.00 C ATOM 497 CG ASN D 31 -19.153 -9.798 -12.001 1.00 0.00 C ATOM 498 OD1 ASN D 31 -18.684 -9.409 -10.949 1.00 0.00 O ATOM 499 ND2 ASN D 31 -19.526 -11.042 -12.127 1.00 0.00 N ATOM 0 H ASN D 31 -19.006 -7.081 -14.933 1.00 0.00 H new ATOM 0 HA ASN D 31 -19.018 -7.057 -12.025 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -20.370 -8.643 -13.363 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -18.919 -9.304 -14.091 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -19.424 -11.687 -11.343 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -19.920 -11.370 -13.009 1.00 0.00 H new ATOM 506 N LYS D 32 -16.331 -8.044 -13.663 1.00 0.00 N ATOM 507 CA LYS D 32 -14.884 -8.326 -13.470 1.00 0.00 C ATOM 508 C LYS D 32 -14.220 -7.100 -12.847 1.00 0.00 C ATOM 509 O LYS D 32 -13.366 -7.210 -11.989 1.00 0.00 O ATOM 510 CB LYS D 32 -14.238 -8.628 -14.823 1.00 0.00 C ATOM 511 CG LYS D 32 -14.519 -10.080 -15.211 1.00 0.00 C ATOM 512 CD LYS D 32 -14.054 -10.322 -16.646 1.00 0.00 C ATOM 513 CE LYS D 32 -13.228 -11.607 -16.707 1.00 0.00 C ATOM 514 NZ LYS D 32 -11.779 -11.264 -16.751 1.00 0.00 N ATOM 0 H LYS D 32 -16.646 -8.034 -14.633 1.00 0.00 H new ATOM 0 HA LYS D 32 -14.758 -9.187 -12.813 1.00 0.00 H new ATOM 0 HB2 LYS D 32 -14.632 -7.955 -15.584 1.00 0.00 H new ATOM 0 HB3 LYS D 32 -13.163 -8.456 -14.771 1.00 0.00 H new ATOM 0 HG2 LYS D 32 -14.001 -10.756 -14.531 1.00 0.00 H new ATOM 0 HG3 LYS D 32 -15.584 -10.292 -15.122 1.00 0.00 H new ATOM 0 HD2 LYS D 32 -14.915 -10.399 -17.310 1.00 0.00 H new ATOM 0 HD3 LYS D 32 -13.458 -9.478 -16.993 1.00 0.00 H new ATOM 0 HE2 LYS D 32 -13.439 -12.229 -15.837 1.00 0.00 H new ATOM 0 HE3 LYS D 32 -13.502 -12.187 -17.588 1.00 0.00 H new ATOM 0 HZ1 LYS D 32 -11.217 -12.138 -16.793 1.00 0.00 H new ATOM 0 HZ2 LYS D 32 -11.584 -10.687 -17.594 1.00 0.00 H new ATOM 0 HZ3 LYS D 32 -11.523 -10.728 -15.897 1.00 0.00 H new ATOM 528 N ALA D 33 -14.613 -5.930 -13.269 1.00 0.00 N ATOM 529 CA ALA D 33 -14.013 -4.692 -12.698 1.00 0.00 C ATOM 530 C ALA D 33 -14.312 -4.642 -11.202 1.00 0.00 C ATOM 531 O ALA D 33 -13.463 -4.314 -10.397 1.00 0.00 O ATOM 532 CB ALA D 33 -14.620 -3.465 -13.382 1.00 0.00 C ATOM 0 H ALA D 33 -15.324 -5.778 -13.985 1.00 0.00 H new ATOM 0 HA ALA D 33 -12.935 -4.696 -12.860 1.00 0.00 H new ATOM 0 HB1 ALA D 33 -14.180 -2.560 -12.963 1.00 0.00 H new ATOM 0 HB2 ALA D 33 -14.415 -3.506 -14.452 1.00 0.00 H new ATOM 0 HB3 ALA D 33 -15.698 -3.453 -13.219 1.00 0.00 H new ATOM 538 N ILE D 34 -15.514 -4.975 -10.824 1.00 0.00 N ATOM 539 CA ILE D 34 -15.875 -4.959 -9.380 1.00 0.00 C ATOM 540 C ILE D 34 -15.203 -6.142 -8.683 1.00 0.00 C ATOM 541 O ILE D 34 -14.995 -6.137 -7.486 1.00 0.00 O ATOM 542 CB ILE D 34 -17.392 -5.078 -9.236 1.00 0.00 C ATOM 543 CG1 ILE D 34 -18.053 -3.778 -9.703 1.00 0.00 C ATOM 544 CG2 ILE D 34 -17.747 -5.336 -7.771 1.00 0.00 C ATOM 545 CD1 ILE D 34 -17.393 -2.586 -9.009 1.00 0.00 C ATOM 0 H ILE D 34 -16.264 -5.258 -11.455 1.00 0.00 H new ATOM 0 HA ILE D 34 -15.539 -4.027 -8.926 1.00 0.00 H new ATOM 0 HB ILE D 34 -17.751 -5.906 -9.847 1.00 0.00 H new ATOM 0 HG12 ILE D 34 -17.959 -3.679 -10.784 1.00 0.00 H new ATOM 0 HG13 ILE D 34 -19.119 -3.799 -9.476 1.00 0.00 H new ATOM 0 HG21 ILE D 34 -18.829 -5.421 -7.668 1.00 0.00 H new ATOM 0 HG22 ILE D 34 -17.277 -6.262 -7.441 1.00 0.00 H new ATOM 0 HG23 ILE D 34 -17.388 -4.509 -7.159 1.00 0.00 H new ATOM 0 HD11 ILE D 34 -17.866 -1.663 -9.344 1.00 0.00 H new ATOM 0 HD12 ILE D 34 -17.510 -2.683 -7.930 1.00 0.00 H new ATOM 0 HD13 ILE D 34 -16.332 -2.561 -9.258 1.00 0.00 H new ATOM 557 N HIS D 35 -14.858 -7.154 -9.429 1.00 0.00 N ATOM 558 CA HIS D 35 -14.196 -8.342 -8.822 1.00 0.00 C ATOM 559 C HIS D 35 -12.742 -7.998 -8.497 1.00 0.00 C ATOM 560 O HIS D 35 -12.183 -8.470 -7.527 1.00 0.00 O ATOM 561 CB HIS D 35 -14.240 -9.505 -9.814 1.00 0.00 C ATOM 562 CG HIS D 35 -15.582 -10.178 -9.736 1.00 0.00 C ATOM 563 ND1 HIS D 35 -15.941 -11.213 -10.584 1.00 0.00 N ATOM 564 CD2 HIS D 35 -16.664 -9.972 -8.916 1.00 0.00 C ATOM 565 CE1 HIS D 35 -17.192 -11.588 -10.259 1.00 0.00 C ATOM 566 NE2 HIS D 35 -17.680 -10.864 -9.249 1.00 0.00 N ATOM 0 H HIS D 35 -15.007 -7.210 -10.437 1.00 0.00 H new ATOM 0 HA HIS D 35 -14.714 -8.627 -7.906 1.00 0.00 H new ATOM 0 HB2 HIS D 35 -14.062 -9.141 -10.826 1.00 0.00 H new ATOM 0 HB3 HIS D 35 -13.449 -10.220 -9.588 1.00 0.00 H new ATOM 0 HD2 HIS D 35 -16.719 -9.231 -8.132 1.00 0.00 H new ATOM 0 HE1 HIS D 35 -17.735 -12.379 -10.755 1.00 0.00 H new ATOM 0 HE2 HIS D 35 -18.599 -10.947 -8.815 1.00 0.00 H new ATOM 574 N ALA D 36 -12.125 -7.176 -9.301 1.00 0.00 N ATOM 575 CA ALA D 36 -10.710 -6.798 -9.038 1.00 0.00 C ATOM 576 C ALA D 36 -10.660 -5.796 -7.883 1.00 0.00 C ATOM 577 O ALA D 36 -9.615 -5.528 -7.325 1.00 0.00 O ATOM 578 CB ALA D 36 -10.111 -6.159 -10.293 1.00 0.00 C ATOM 0 H ALA D 36 -12.541 -6.750 -10.129 1.00 0.00 H new ATOM 0 HA ALA D 36 -10.137 -7.688 -8.775 1.00 0.00 H new ATOM 0 HB1 ALA D 36 -9.074 -5.882 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA D 36 -10.149 -6.871 -11.118 1.00 0.00 H new ATOM 0 HB3 ALA D 36 -10.682 -5.268 -10.556 1.00 0.00 H new ATOM 584 N GLY D 37 -11.785 -5.243 -7.521 1.00 0.00 N ATOM 585 CA GLY D 37 -11.805 -4.258 -6.403 1.00 0.00 C ATOM 586 C GLY D 37 -10.665 -3.255 -6.588 1.00 0.00 C ATOM 587 O GLY D 37 -10.143 -2.712 -5.635 1.00 0.00 O ATOM 0 H GLY D 37 -12.691 -5.431 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY D 37 -12.762 -3.737 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY D 37 -11.699 -4.773 -5.448 1.00 0.00 H new ATOM 591 N ARG D 38 -10.275 -3.004 -7.808 1.00 0.00 N ATOM 592 CA ARG D 38 -9.168 -2.037 -8.051 1.00 0.00 C ATOM 593 C ARG D 38 -9.716 -0.611 -7.993 1.00 0.00 C ATOM 594 O ARG D 38 -10.889 -0.394 -7.761 1.00 0.00 O ATOM 595 CB ARG D 38 -8.552 -2.295 -9.429 1.00 0.00 C ATOM 596 CG ARG D 38 -9.575 -1.971 -10.518 1.00 0.00 C ATOM 597 CD ARG D 38 -9.327 -2.871 -11.730 1.00 0.00 C ATOM 598 NE ARG D 38 -8.150 -2.365 -12.492 1.00 0.00 N ATOM 599 CZ ARG D 38 -7.354 -3.205 -13.097 1.00 0.00 C ATOM 600 NH1 ARG D 38 -7.768 -3.855 -14.149 1.00 0.00 N ATOM 601 NH2 ARG D 38 -6.143 -3.395 -12.647 1.00 0.00 N ATOM 0 H ARG D 38 -10.675 -3.426 -8.646 1.00 0.00 H new ATOM 0 HA ARG D 38 -8.402 -2.163 -7.286 1.00 0.00 H new ATOM 0 HB2 ARG D 38 -7.660 -1.682 -9.560 1.00 0.00 H new ATOM 0 HB3 ARG D 38 -8.238 -3.336 -9.509 1.00 0.00 H new ATOM 0 HG2 ARG D 38 -10.586 -2.122 -10.140 1.00 0.00 H new ATOM 0 HG3 ARG D 38 -9.496 -0.923 -10.807 1.00 0.00 H new ATOM 0 HD2 ARG D 38 -9.150 -3.896 -11.405 1.00 0.00 H new ATOM 0 HD3 ARG D 38 -10.209 -2.888 -12.371 1.00 0.00 H new ATOM 0 HE ARG D 38 -7.966 -1.363 -12.541 1.00 0.00 H new ATOM 0 HH11 ARG D 38 -8.714 -3.707 -14.500 1.00 0.00 H new ATOM 0 HH12 ARG D 38 -7.146 -4.511 -14.621 1.00 0.00 H new ATOM 0 HH21 ARG D 38 -5.819 -2.887 -11.824 1.00 0.00 H new ATOM 0 HH22 ARG D 38 -5.521 -4.051 -13.119 1.00 0.00 H new ATOM 615 N LYS D 39 -8.875 0.365 -8.199 1.00 0.00 N ATOM 616 CA LYS D 39 -9.346 1.777 -8.151 1.00 0.00 C ATOM 617 C LYS D 39 -9.934 2.170 -9.503 1.00 0.00 C ATOM 618 O LYS D 39 -9.310 2.843 -10.296 1.00 0.00 O ATOM 619 CB LYS D 39 -8.170 2.693 -7.812 1.00 0.00 C ATOM 620 CG LYS D 39 -8.201 3.036 -6.320 1.00 0.00 C ATOM 621 CD LYS D 39 -8.125 1.749 -5.494 1.00 0.00 C ATOM 622 CE LYS D 39 -8.321 2.081 -4.013 1.00 0.00 C ATOM 623 NZ LYS D 39 -8.533 0.824 -3.242 1.00 0.00 N ATOM 0 H LYS D 39 -7.882 0.245 -8.398 1.00 0.00 H new ATOM 0 HA LYS D 39 -10.115 1.877 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS D 39 -7.230 2.203 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS D 39 -8.223 3.605 -8.407 1.00 0.00 H new ATOM 0 HG2 LYS D 39 -7.366 3.690 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS D 39 -9.115 3.580 -6.081 1.00 0.00 H new ATOM 0 HD2 LYS D 39 -8.890 1.046 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS D 39 -7.160 1.264 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS D 39 -7.449 2.611 -3.630 1.00 0.00 H new ATOM 0 HE3 LYS D 39 -9.177 2.744 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS D 39 -8.666 1.052 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS D 39 -9.378 0.335 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS D 39 -7.703 0.206 -3.350 1.00 0.00 H new ATOM 637 N ILE D 40 -11.145 1.764 -9.758 1.00 0.00 N ATOM 638 CA ILE D 40 -11.795 2.125 -11.047 1.00 0.00 C ATOM 639 C ILE D 40 -12.709 3.321 -10.807 1.00 0.00 C ATOM 640 O ILE D 40 -13.757 3.205 -10.201 1.00 0.00 O ATOM 641 CB ILE D 40 -12.624 0.949 -11.564 1.00 0.00 C ATOM 642 CG1 ILE D 40 -11.781 -0.327 -11.537 1.00 0.00 C ATOM 643 CG2 ILE D 40 -13.068 1.230 -13.002 1.00 0.00 C ATOM 644 CD1 ILE D 40 -12.614 -1.493 -12.073 1.00 0.00 C ATOM 0 H ILE D 40 -11.713 1.197 -9.129 1.00 0.00 H new ATOM 0 HA ILE D 40 -11.034 2.370 -11.787 1.00 0.00 H new ATOM 0 HB ILE D 40 -13.500 0.820 -10.928 1.00 0.00 H new ATOM 0 HG12 ILE D 40 -10.884 -0.197 -12.142 1.00 0.00 H new ATOM 0 HG13 ILE D 40 -11.451 -0.538 -10.520 1.00 0.00 H new ATOM 0 HG21 ILE D 40 -13.659 0.392 -13.371 1.00 0.00 H new ATOM 0 HG22 ILE D 40 -13.671 2.138 -13.026 1.00 0.00 H new ATOM 0 HG23 ILE D 40 -12.190 1.361 -13.635 1.00 0.00 H new ATOM 0 HD11 ILE D 40 -12.017 -2.405 -12.056 1.00 0.00 H new ATOM 0 HD12 ILE D 40 -13.498 -1.626 -11.449 1.00 0.00 H new ATOM 0 HD13 ILE D 40 -12.921 -1.280 -13.097 1.00 0.00 H new ATOM 656 N PHE D 41 -12.315 4.474 -11.259 1.00 0.00 N ATOM 657 CA PHE D 41 -13.150 5.681 -11.039 1.00 0.00 C ATOM 658 C PHE D 41 -13.997 5.959 -12.284 1.00 0.00 C ATOM 659 O PHE D 41 -13.698 5.496 -13.367 1.00 0.00 O ATOM 660 CB PHE D 41 -12.223 6.858 -10.740 1.00 0.00 C ATOM 661 CG PHE D 41 -11.209 6.424 -9.702 1.00 0.00 C ATOM 662 CD1 PHE D 41 -11.602 5.580 -8.653 1.00 0.00 C ATOM 663 CD2 PHE D 41 -9.881 6.859 -9.785 1.00 0.00 C ATOM 664 CE1 PHE D 41 -10.669 5.176 -7.691 1.00 0.00 C ATOM 665 CE2 PHE D 41 -8.948 6.455 -8.821 1.00 0.00 C ATOM 666 CZ PHE D 41 -9.343 5.613 -7.775 1.00 0.00 C ATOM 0 H PHE D 41 -11.448 4.633 -11.773 1.00 0.00 H new ATOM 0 HA PHE D 41 -13.827 5.529 -10.198 1.00 0.00 H new ATOM 0 HB2 PHE D 41 -11.718 7.182 -11.650 1.00 0.00 H new ATOM 0 HB3 PHE D 41 -12.798 7.709 -10.374 1.00 0.00 H new ATOM 0 HD1 PHE D 41 -12.625 5.242 -8.587 1.00 0.00 H new ATOM 0 HD2 PHE D 41 -9.575 7.507 -10.593 1.00 0.00 H new ATOM 0 HE1 PHE D 41 -10.973 4.527 -6.883 1.00 0.00 H new ATOM 0 HE2 PHE D 41 -7.924 6.793 -8.885 1.00 0.00 H new ATOM 0 HZ PHE D 41 -8.624 5.301 -7.032 1.00 0.00 H new ATOM 676 N LEU D 42 -15.065 6.700 -12.134 1.00 0.00 N ATOM 677 CA LEU D 42 -15.943 6.993 -13.304 1.00 0.00 C ATOM 678 C LEU D 42 -16.157 8.504 -13.425 1.00 0.00 C ATOM 679 O LEU D 42 -17.027 9.070 -12.794 1.00 0.00 O ATOM 680 CB LEU D 42 -17.297 6.305 -13.104 1.00 0.00 C ATOM 681 CG LEU D 42 -17.621 5.421 -14.307 1.00 0.00 C ATOM 682 CD1 LEU D 42 -16.572 4.315 -14.430 1.00 0.00 C ATOM 683 CD2 LEU D 42 -18.996 4.784 -14.106 1.00 0.00 C ATOM 0 H LEU D 42 -15.366 7.114 -11.252 1.00 0.00 H new ATOM 0 HA LEU D 42 -15.470 6.622 -14.213 1.00 0.00 H new ATOM 0 HB2 LEU D 42 -17.277 5.703 -12.196 1.00 0.00 H new ATOM 0 HB3 LEU D 42 -18.078 7.054 -12.973 1.00 0.00 H new ATOM 0 HG LEU D 42 -17.619 6.027 -15.213 1.00 0.00 H new ATOM 0 HD11 LEU D 42 -16.806 3.686 -15.289 1.00 0.00 H new ATOM 0 HD12 LEU D 42 -15.587 4.761 -14.564 1.00 0.00 H new ATOM 0 HD13 LEU D 42 -16.575 3.708 -13.524 1.00 0.00 H new ATOM 0 HD21 LEU D 42 -19.233 4.152 -14.962 1.00 0.00 H new ATOM 0 HD22 LEU D 42 -18.988 4.179 -13.199 1.00 0.00 H new ATOM 0 HD23 LEU D 42 -19.749 5.566 -14.013 1.00 0.00 H new ATOM 695 N THR D 43 -15.375 9.158 -14.237 1.00 0.00 N ATOM 696 CA THR D 43 -15.535 10.630 -14.410 1.00 0.00 C ATOM 697 C THR D 43 -16.597 10.891 -15.479 1.00 0.00 C ATOM 698 O THR D 43 -16.354 10.732 -16.658 1.00 0.00 O ATOM 699 CB THR D 43 -14.196 11.237 -14.846 1.00 0.00 C ATOM 700 OG1 THR D 43 -13.340 11.342 -13.717 1.00 0.00 O ATOM 701 CG2 THR D 43 -14.419 12.628 -15.448 1.00 0.00 C ATOM 0 H THR D 43 -14.629 8.736 -14.790 1.00 0.00 H new ATOM 0 HA THR D 43 -15.845 11.086 -13.470 1.00 0.00 H new ATOM 0 HB THR D 43 -13.739 10.594 -15.599 1.00 0.00 H new ATOM 0 HG1 THR D 43 -12.482 11.728 -13.992 1.00 0.00 H new ATOM 0 HG21 THR D 43 -13.462 13.050 -15.754 1.00 0.00 H new ATOM 0 HG22 THR D 43 -15.074 12.548 -16.315 1.00 0.00 H new ATOM 0 HG23 THR D 43 -14.880 13.277 -14.703 1.00 0.00 H new ATOM 709 N ILE D 44 -17.775 11.284 -15.079 1.00 0.00 N ATOM 710 CA ILE D 44 -18.846 11.543 -16.081 1.00 0.00 C ATOM 711 C ILE D 44 -18.862 13.028 -16.454 1.00 0.00 C ATOM 712 O ILE D 44 -19.172 13.876 -15.641 1.00 0.00 O ATOM 713 CB ILE D 44 -20.201 11.150 -15.490 1.00 0.00 C ATOM 714 CG1 ILE D 44 -20.084 9.781 -14.815 1.00 0.00 C ATOM 715 CG2 ILE D 44 -21.246 11.080 -16.605 1.00 0.00 C ATOM 716 CD1 ILE D 44 -20.646 9.861 -13.394 1.00 0.00 C ATOM 0 H ILE D 44 -18.041 11.436 -14.106 1.00 0.00 H new ATOM 0 HA ILE D 44 -18.652 10.952 -16.976 1.00 0.00 H new ATOM 0 HB ILE D 44 -20.505 11.895 -14.755 1.00 0.00 H new ATOM 0 HG12 ILE D 44 -20.628 9.032 -15.391 1.00 0.00 H new ATOM 0 HG13 ILE D 44 -19.041 9.466 -14.787 1.00 0.00 H new ATOM 0 HG21 ILE D 44 -22.211 10.800 -16.182 1.00 0.00 H new ATOM 0 HG22 ILE D 44 -21.330 12.054 -17.087 1.00 0.00 H new ATOM 0 HG23 ILE D 44 -20.943 10.336 -17.342 1.00 0.00 H new ATOM 0 HD11 ILE D 44 -20.562 8.886 -12.914 1.00 0.00 H new ATOM 0 HD12 ILE D 44 -20.082 10.597 -12.821 1.00 0.00 H new ATOM 0 HD13 ILE D 44 -21.694 10.157 -13.433 1.00 0.00 H new ATOM 728 N ASN D 45 -18.532 13.350 -17.677 1.00 0.00 N ATOM 729 CA ASN D 45 -18.533 14.779 -18.092 1.00 0.00 C ATOM 730 C ASN D 45 -19.932 15.365 -17.902 1.00 0.00 C ATOM 731 O ASN D 45 -20.933 14.689 -18.062 1.00 0.00 O ATOM 732 CB ASN D 45 -18.130 14.898 -19.562 1.00 0.00 C ATOM 733 CG ASN D 45 -16.693 15.418 -19.656 1.00 0.00 C ATOM 734 OD1 ASN D 45 -16.458 16.607 -19.572 1.00 0.00 O ATOM 735 ND2 ASN D 45 -15.714 14.572 -19.829 1.00 0.00 N ATOM 0 H ASN D 45 -18.263 12.686 -18.403 1.00 0.00 H new ATOM 0 HA ASN D 45 -17.818 15.327 -17.479 1.00 0.00 H new ATOM 0 HB2 ASN D 45 -18.210 13.928 -20.052 1.00 0.00 H new ATOM 0 HB3 ASN D 45 -18.808 15.575 -20.083 1.00 0.00 H new ATOM 0 HD21 ASN D 45 -14.754 14.910 -19.893 1.00 0.00 H new ATOM 0 HD22 ASN D 45 -15.909 13.573 -19.900 1.00 0.00 H new ATOM 742 N ALA D 46 -19.993 16.622 -17.562 1.00 0.00 N ATOM 743 CA ALA D 46 -21.307 17.296 -17.340 1.00 0.00 C ATOM 744 C ALA D 46 -22.260 17.010 -18.503 1.00 0.00 C ATOM 745 O ALA D 46 -23.461 17.145 -18.376 1.00 0.00 O ATOM 746 CB ALA D 46 -21.090 18.806 -17.224 1.00 0.00 C ATOM 0 H ALA D 46 -19.178 17.221 -17.426 1.00 0.00 H new ATOM 0 HA ALA D 46 -21.748 16.911 -16.420 1.00 0.00 H new ATOM 0 HB1 ALA D 46 -22.048 19.300 -17.062 1.00 0.00 H new ATOM 0 HB2 ALA D 46 -20.427 19.015 -16.384 1.00 0.00 H new ATOM 0 HB3 ALA D 46 -20.640 19.181 -18.143 1.00 0.00 H new ATOM 752 N ASP D 47 -21.746 16.616 -19.635 1.00 0.00 N ATOM 753 CA ASP D 47 -22.637 16.325 -20.794 1.00 0.00 C ATOM 754 C ASP D 47 -23.158 14.887 -20.698 1.00 0.00 C ATOM 755 O ASP D 47 -23.395 14.239 -21.697 1.00 0.00 O ATOM 756 CB ASP D 47 -21.849 16.494 -22.094 1.00 0.00 C ATOM 757 CG ASP D 47 -21.587 17.979 -22.346 1.00 0.00 C ATOM 758 OD1 ASP D 47 -22.549 18.727 -22.422 1.00 0.00 O ATOM 759 OD2 ASP D 47 -20.429 18.346 -22.459 1.00 0.00 O ATOM 0 H ASP D 47 -20.750 16.483 -19.808 1.00 0.00 H new ATOM 0 HA ASP D 47 -23.480 17.015 -20.783 1.00 0.00 H new ATOM 0 HB2 ASP D 47 -20.905 15.953 -22.031 1.00 0.00 H new ATOM 0 HB3 ASP D 47 -22.407 16.066 -22.927 1.00 0.00 H new ATOM 764 N GLY D 48 -23.337 14.381 -19.507 1.00 0.00 N ATOM 765 CA GLY D 48 -23.838 12.987 -19.357 1.00 0.00 C ATOM 766 C GLY D 48 -22.869 12.031 -20.047 1.00 0.00 C ATOM 767 O GLY D 48 -23.224 10.931 -20.420 1.00 0.00 O ATOM 0 H GLY D 48 -23.157 14.874 -18.632 1.00 0.00 H new ATOM 0 HA2 GLY D 48 -23.930 12.732 -18.301 1.00 0.00 H new ATOM 0 HA3 GLY D 48 -24.832 12.896 -19.795 1.00 0.00 H new ATOM 771 N SER D 49 -21.643 12.443 -20.219 1.00 0.00 N ATOM 772 CA SER D 49 -20.648 11.555 -20.886 1.00 0.00 C ATOM 773 C SER D 49 -19.927 10.722 -19.825 1.00 0.00 C ATOM 774 O SER D 49 -19.715 11.169 -18.718 1.00 0.00 O ATOM 775 CB SER D 49 -19.633 12.407 -21.648 1.00 0.00 C ATOM 776 OG SER D 49 -19.459 11.873 -22.954 1.00 0.00 O ATOM 0 H SER D 49 -21.287 13.354 -19.928 1.00 0.00 H new ATOM 0 HA SER D 49 -21.158 10.893 -21.586 1.00 0.00 H new ATOM 0 HB2 SER D 49 -19.979 13.439 -21.708 1.00 0.00 H new ATOM 0 HB3 SER D 49 -18.681 12.420 -21.118 1.00 0.00 H new ATOM 0 HG SER D 49 -18.810 12.418 -23.446 1.00 0.00 H new ATOM 782 N VAL D 50 -19.544 9.517 -20.150 1.00 0.00 N ATOM 783 CA VAL D 50 -18.832 8.670 -19.149 1.00 0.00 C ATOM 784 C VAL D 50 -17.331 8.687 -19.449 1.00 0.00 C ATOM 785 O VAL D 50 -16.914 8.580 -20.585 1.00 0.00 O ATOM 786 CB VAL D 50 -19.347 7.229 -19.217 1.00 0.00 C ATOM 787 CG1 VAL D 50 -19.240 6.584 -17.835 1.00 0.00 C ATOM 788 CG2 VAL D 50 -20.811 7.222 -19.662 1.00 0.00 C ATOM 0 H VAL D 50 -19.692 9.083 -21.061 1.00 0.00 H new ATOM 0 HA VAL D 50 -19.015 9.067 -18.150 1.00 0.00 H new ATOM 0 HB VAL D 50 -18.747 6.668 -19.934 1.00 0.00 H new ATOM 0 HG11 VAL D 50 -19.606 5.559 -17.883 1.00 0.00 H new ATOM 0 HG12 VAL D 50 -18.198 6.583 -17.514 1.00 0.00 H new ATOM 0 HG13 VAL D 50 -19.839 7.150 -17.122 1.00 0.00 H new ATOM 0 HG21 VAL D 50 -21.172 6.195 -19.709 1.00 0.00 H new ATOM 0 HG22 VAL D 50 -21.411 7.786 -18.948 1.00 0.00 H new ATOM 0 HG23 VAL D 50 -20.894 7.681 -20.647 1.00 0.00 H new ATOM 798 N TYR D 51 -16.518 8.818 -18.437 1.00 0.00 N ATOM 799 CA TYR D 51 -15.045 8.838 -18.657 1.00 0.00 C ATOM 800 C TYR D 51 -14.375 8.093 -17.505 1.00 0.00 C ATOM 801 O TYR D 51 -13.837 8.691 -16.598 1.00 0.00 O ATOM 802 CB TYR D 51 -14.552 10.287 -18.685 1.00 0.00 C ATOM 803 CG TYR D 51 -13.178 10.359 -19.315 1.00 0.00 C ATOM 804 CD1 TYR D 51 -12.441 9.189 -19.549 1.00 0.00 C ATOM 805 CD2 TYR D 51 -12.640 11.602 -19.665 1.00 0.00 C ATOM 806 CE1 TYR D 51 -11.172 9.265 -20.131 1.00 0.00 C ATOM 807 CE2 TYR D 51 -11.369 11.679 -20.248 1.00 0.00 C ATOM 808 CZ TYR D 51 -10.635 10.509 -20.480 1.00 0.00 C ATOM 809 OH TYR D 51 -9.383 10.584 -21.055 1.00 0.00 O ATOM 0 H TYR D 51 -16.812 8.912 -17.465 1.00 0.00 H new ATOM 0 HA TYR D 51 -14.800 8.360 -19.606 1.00 0.00 H new ATOM 0 HB2 TYR D 51 -15.251 10.906 -19.248 1.00 0.00 H new ATOM 0 HB3 TYR D 51 -14.517 10.687 -17.671 1.00 0.00 H new ATOM 0 HD1 TYR D 51 -12.854 8.228 -19.279 1.00 0.00 H new ATOM 0 HD2 TYR D 51 -13.206 12.504 -19.485 1.00 0.00 H new ATOM 0 HE1 TYR D 51 -10.606 8.363 -20.311 1.00 0.00 H new ATOM 0 HE2 TYR D 51 -10.955 12.639 -20.518 1.00 0.00 H new ATOM 0 HH TYR D 51 -9.162 11.521 -21.236 1.00 0.00 H new ATOM 819 N ALA D 52 -14.420 6.790 -17.528 1.00 0.00 N ATOM 820 CA ALA D 52 -13.811 6.005 -16.420 1.00 0.00 C ATOM 821 C ALA D 52 -12.294 5.942 -16.581 1.00 0.00 C ATOM 822 O ALA D 52 -11.771 5.849 -17.673 1.00 0.00 O ATOM 823 CB ALA D 52 -14.374 4.585 -16.441 1.00 0.00 C ATOM 0 H ALA D 52 -14.852 6.235 -18.267 1.00 0.00 H new ATOM 0 HA ALA D 52 -14.048 6.491 -15.473 1.00 0.00 H new ATOM 0 HB1 ALA D 52 -13.931 4.006 -15.631 1.00 0.00 H new ATOM 0 HB2 ALA D 52 -15.456 4.621 -16.312 1.00 0.00 H new ATOM 0 HB3 ALA D 52 -14.138 4.114 -17.395 1.00 0.00 H new ATOM 829 N GLU D 53 -11.589 5.985 -15.485 1.00 0.00 N ATOM 830 CA GLU D 53 -10.105 5.919 -15.539 1.00 0.00 C ATOM 831 C GLU D 53 -9.618 4.883 -14.528 1.00 0.00 C ATOM 832 O GLU D 53 -10.259 4.628 -13.526 1.00 0.00 O ATOM 833 CB GLU D 53 -9.521 7.289 -15.190 1.00 0.00 C ATOM 834 CG GLU D 53 -9.327 8.104 -16.470 1.00 0.00 C ATOM 835 CD GLU D 53 -8.579 9.399 -16.144 1.00 0.00 C ATOM 836 OE1 GLU D 53 -8.006 9.473 -15.069 1.00 0.00 O ATOM 837 OE2 GLU D 53 -8.591 10.293 -16.974 1.00 0.00 O ATOM 0 H GLU D 53 -11.982 6.064 -14.547 1.00 0.00 H new ATOM 0 HA GLU D 53 -9.783 5.636 -16.541 1.00 0.00 H new ATOM 0 HB2 GLU D 53 -10.188 7.817 -14.508 1.00 0.00 H new ATOM 0 HB3 GLU D 53 -8.568 7.169 -14.675 1.00 0.00 H new ATOM 0 HG2 GLU D 53 -8.767 7.523 -17.202 1.00 0.00 H new ATOM 0 HG3 GLU D 53 -10.294 8.333 -16.918 1.00 0.00 H new ATOM 844 N GLU D 54 -8.490 4.283 -14.778 1.00 0.00 N ATOM 845 CA GLU D 54 -7.962 3.266 -13.830 1.00 0.00 C ATOM 846 C GLU D 54 -6.775 3.864 -13.081 1.00 0.00 C ATOM 847 O GLU D 54 -5.825 4.327 -13.680 1.00 0.00 O ATOM 848 CB GLU D 54 -7.508 2.027 -14.606 1.00 0.00 C ATOM 849 CG GLU D 54 -7.330 0.855 -13.639 1.00 0.00 C ATOM 850 CD GLU D 54 -6.085 0.057 -14.030 1.00 0.00 C ATOM 851 OE1 GLU D 54 -6.149 -0.656 -15.018 1.00 0.00 O ATOM 852 OE2 GLU D 54 -5.089 0.172 -13.334 1.00 0.00 O ATOM 0 H GLU D 54 -7.910 4.453 -15.599 1.00 0.00 H new ATOM 0 HA GLU D 54 -8.740 2.978 -13.123 1.00 0.00 H new ATOM 0 HB2 GLU D 54 -8.243 1.774 -15.370 1.00 0.00 H new ATOM 0 HB3 GLU D 54 -6.570 2.232 -15.122 1.00 0.00 H new ATOM 0 HG2 GLU D 54 -7.233 1.224 -12.618 1.00 0.00 H new ATOM 0 HG3 GLU D 54 -8.210 0.212 -13.664 1.00 0.00 H new ATOM 859 N VAL D 55 -6.821 3.869 -11.782 1.00 0.00 N ATOM 860 CA VAL D 55 -5.693 4.453 -11.003 1.00 0.00 C ATOM 861 C VAL D 55 -5.422 3.577 -9.782 1.00 0.00 C ATOM 862 O VAL D 55 -6.019 3.742 -8.738 1.00 0.00 O ATOM 863 CB VAL D 55 -6.041 5.882 -10.559 1.00 0.00 C ATOM 864 CG1 VAL D 55 -4.959 6.839 -11.057 1.00 0.00 C ATOM 865 CG2 VAL D 55 -7.390 6.311 -11.148 1.00 0.00 C ATOM 0 H VAL D 55 -7.589 3.495 -11.224 1.00 0.00 H new ATOM 0 HA VAL D 55 -4.801 4.492 -11.629 1.00 0.00 H new ATOM 0 HB VAL D 55 -6.101 5.908 -9.471 1.00 0.00 H new ATOM 0 HG11 VAL D 55 -5.200 7.855 -10.745 1.00 0.00 H new ATOM 0 HG12 VAL D 55 -3.996 6.550 -10.637 1.00 0.00 H new ATOM 0 HG13 VAL D 55 -4.908 6.796 -12.145 1.00 0.00 H new ATOM 0 HG21 VAL D 55 -7.622 7.326 -10.824 1.00 0.00 H new ATOM 0 HG22 VAL D 55 -7.338 6.280 -12.236 1.00 0.00 H new ATOM 0 HG23 VAL D 55 -8.170 5.632 -10.803 1.00 0.00 H new ATOM 875 N LYS D 56 -4.523 2.642 -9.914 1.00 0.00 N ATOM 876 CA LYS D 56 -4.208 1.738 -8.771 1.00 0.00 C ATOM 877 C LYS D 56 -2.697 1.459 -8.749 1.00 0.00 C ATOM 878 O LYS D 56 -2.094 1.262 -9.785 1.00 0.00 O ATOM 879 CB LYS D 56 -4.985 0.426 -8.950 1.00 0.00 C ATOM 880 CG LYS D 56 -4.401 -0.671 -8.053 1.00 0.00 C ATOM 881 CD LYS D 56 -5.463 -1.129 -7.051 1.00 0.00 C ATOM 882 CE LYS D 56 -5.543 -2.656 -7.053 1.00 0.00 C ATOM 883 NZ LYS D 56 -4.291 -3.220 -6.473 1.00 0.00 N ATOM 0 H LYS D 56 -3.991 2.464 -10.766 1.00 0.00 H new ATOM 0 HA LYS D 56 -4.496 2.204 -7.829 1.00 0.00 H new ATOM 0 HB2 LYS D 56 -6.036 0.583 -8.706 1.00 0.00 H new ATOM 0 HB3 LYS D 56 -4.944 0.111 -9.993 1.00 0.00 H new ATOM 0 HG2 LYS D 56 -4.070 -1.514 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS D 56 -3.525 -0.295 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS D 56 -5.215 -0.769 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS D 56 -6.432 -0.703 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS D 56 -6.406 -2.986 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS D 56 -5.682 -3.022 -8.070 1.00 0.00 H new ATOM 0 HZ1 LYS D 56 -4.385 -4.252 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS D 56 -3.489 -3.001 -7.098 1.00 0.00 H new ATOM 0 HZ3 LYS D 56 -4.124 -2.802 -5.536 1.00 0.00 H new ATOM 897 N PRO D 57 -2.132 1.453 -7.566 1.00 0.00 N ATOM 898 CA PRO D 57 -0.690 1.207 -7.379 1.00 0.00 C ATOM 899 C PRO D 57 -0.369 -0.286 -7.522 1.00 0.00 C ATOM 900 O PRO D 57 -1.121 -1.139 -7.096 1.00 0.00 O ATOM 901 CB PRO D 57 -0.423 1.697 -5.952 1.00 0.00 C ATOM 902 CG PRO D 57 -1.785 1.669 -5.219 1.00 0.00 C ATOM 903 CD PRO D 57 -2.873 1.692 -6.309 1.00 0.00 C ATOM 0 HA PRO D 57 -0.071 1.714 -8.120 1.00 0.00 H new ATOM 0 HB2 PRO D 57 0.301 1.055 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO D 57 -0.006 2.704 -5.959 1.00 0.00 H new ATOM 0 HG2 PRO D 57 -1.874 0.775 -4.602 1.00 0.00 H new ATOM 0 HG3 PRO D 57 -1.885 2.527 -4.554 1.00 0.00 H new ATOM 0 HD2 PRO D 57 -3.625 0.922 -6.137 1.00 0.00 H new ATOM 0 HD3 PRO D 57 -3.395 2.648 -6.330 1.00 0.00 H new ATOM 911 N PHE D 58 0.746 -0.600 -8.125 1.00 0.00 N ATOM 912 CA PHE D 58 1.131 -2.029 -8.310 1.00 0.00 C ATOM 913 C PHE D 58 2.030 -2.461 -7.139 1.00 0.00 C ATOM 914 O PHE D 58 2.498 -1.630 -6.387 1.00 0.00 O ATOM 915 CB PHE D 58 1.861 -2.168 -9.664 1.00 0.00 C ATOM 916 CG PHE D 58 3.363 -2.107 -9.480 1.00 0.00 C ATOM 917 CD1 PHE D 58 3.933 -1.098 -8.694 1.00 0.00 C ATOM 918 CD2 PHE D 58 4.181 -3.059 -10.098 1.00 0.00 C ATOM 919 CE1 PHE D 58 5.322 -1.043 -8.527 1.00 0.00 C ATOM 920 CE2 PHE D 58 5.570 -3.003 -9.931 1.00 0.00 C ATOM 921 CZ PHE D 58 6.140 -1.994 -9.146 1.00 0.00 C ATOM 0 H PHE D 58 1.411 0.077 -8.500 1.00 0.00 H new ATOM 0 HA PHE D 58 0.253 -2.675 -8.320 1.00 0.00 H new ATOM 0 HB2 PHE D 58 1.587 -3.113 -10.134 1.00 0.00 H new ATOM 0 HB3 PHE D 58 1.541 -1.373 -10.337 1.00 0.00 H new ATOM 0 HD1 PHE D 58 3.302 -0.363 -8.217 1.00 0.00 H new ATOM 0 HD2 PHE D 58 3.741 -3.837 -10.704 1.00 0.00 H new ATOM 0 HE1 PHE D 58 5.762 -0.266 -7.920 1.00 0.00 H new ATOM 0 HE2 PHE D 58 6.201 -3.738 -10.408 1.00 0.00 H new ATOM 0 HZ PHE D 58 7.211 -1.950 -9.018 1.00 0.00 H new ATOM 931 N PRO D 59 2.246 -3.748 -7.019 1.00 0.00 N ATOM 932 CA PRO D 59 1.679 -4.759 -7.931 1.00 0.00 C ATOM 933 C PRO D 59 0.217 -5.045 -7.579 1.00 0.00 C ATOM 934 O PRO D 59 -0.308 -4.543 -6.605 1.00 0.00 O ATOM 935 CB PRO D 59 2.546 -5.995 -7.677 1.00 0.00 C ATOM 936 CG PRO D 59 3.163 -5.814 -6.270 1.00 0.00 C ATOM 937 CD PRO D 59 3.090 -4.310 -5.946 1.00 0.00 C ATOM 0 HA PRO D 59 1.683 -4.442 -8.974 1.00 0.00 H new ATOM 0 HB2 PRO D 59 1.948 -6.905 -7.725 1.00 0.00 H new ATOM 0 HB3 PRO D 59 3.325 -6.085 -8.434 1.00 0.00 H new ATOM 0 HG2 PRO D 59 2.615 -6.397 -5.529 1.00 0.00 H new ATOM 0 HG3 PRO D 59 4.195 -6.164 -6.252 1.00 0.00 H new ATOM 0 HD2 PRO D 59 2.653 -4.135 -4.963 1.00 0.00 H new ATOM 0 HD3 PRO D 59 4.081 -3.856 -5.940 1.00 0.00 H new ATOM 1088 N GLN E 3 9.859 13.581 -8.807 1.00 0.00 N ATOM 1089 CA GLN E 3 10.606 12.762 -9.801 1.00 0.00 C ATOM 1090 C GLN E 3 9.656 11.736 -10.423 1.00 0.00 C ATOM 1091 O GLN E 3 9.267 10.774 -9.790 1.00 0.00 O ATOM 1092 CB GLN E 3 11.756 12.033 -9.103 1.00 0.00 C ATOM 1093 CG GLN E 3 13.088 12.633 -9.550 1.00 0.00 C ATOM 1094 CD GLN E 3 13.554 13.664 -8.521 1.00 0.00 C ATOM 1095 OE1 GLN E 3 14.690 13.640 -8.091 1.00 0.00 O ATOM 1096 NE2 GLN E 3 12.718 14.574 -8.103 1.00 0.00 N ATOM 0 HA GLN E 3 11.009 13.410 -10.580 1.00 0.00 H new ATOM 0 HB2 GLN E 3 11.651 12.119 -8.021 1.00 0.00 H new ATOM 0 HB3 GLN E 3 11.725 10.970 -9.343 1.00 0.00 H new ATOM 0 HG2 GLN E 3 13.835 11.847 -9.657 1.00 0.00 H new ATOM 0 HG3 GLN E 3 12.978 13.103 -10.527 1.00 0.00 H new ATOM 0 HE21 GLN E 3 11.764 14.595 -8.464 1.00 0.00 H new ATOM 0 HE22 GLN E 3 13.018 15.265 -7.415 1.00 0.00 H new ATOM 1105 N ARG E 4 9.271 11.935 -11.653 1.00 0.00 N ATOM 1106 CA ARG E 4 8.341 10.971 -12.303 1.00 0.00 C ATOM 1107 C ARG E 4 9.066 10.217 -13.418 1.00 0.00 C ATOM 1108 O ARG E 4 9.239 10.719 -14.511 1.00 0.00 O ATOM 1109 CB ARG E 4 7.153 11.731 -12.894 1.00 0.00 C ATOM 1110 CG ARG E 4 6.090 11.934 -11.814 1.00 0.00 C ATOM 1111 CD ARG E 4 5.452 10.588 -11.470 1.00 0.00 C ATOM 1112 NE ARG E 4 3.982 10.661 -11.706 1.00 0.00 N ATOM 1113 CZ ARG E 4 3.263 11.545 -11.071 1.00 0.00 C ATOM 1114 NH1 ARG E 4 3.482 11.777 -9.806 1.00 0.00 N ATOM 1115 NH2 ARG E 4 2.326 12.199 -11.701 1.00 0.00 N ATOM 0 H ARG E 4 9.560 12.722 -12.235 1.00 0.00 H new ATOM 0 HA ARG E 4 7.988 10.257 -11.559 1.00 0.00 H new ATOM 0 HB2 ARG E 4 7.481 12.695 -13.282 1.00 0.00 H new ATOM 0 HB3 ARG E 4 6.733 11.176 -13.733 1.00 0.00 H new ATOM 0 HG2 ARG E 4 6.540 12.374 -10.924 1.00 0.00 H new ATOM 0 HG3 ARG E 4 5.329 12.631 -12.164 1.00 0.00 H new ATOM 0 HD2 ARG E 4 5.891 9.799 -12.081 1.00 0.00 H new ATOM 0 HD3 ARG E 4 5.652 10.334 -10.429 1.00 0.00 H new ATOM 0 HE ARG E 4 3.538 10.020 -12.364 1.00 0.00 H new ATOM 0 HH11 ARG E 4 4.215 11.267 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG E 4 2.920 12.468 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG E 4 2.155 12.019 -12.690 1.00 0.00 H new ATOM 0 HH22 ARG E 4 1.764 12.890 -11.204 1.00 0.00 H new ATOM 1129 N ILE E 5 9.481 9.009 -13.154 1.00 0.00 N ATOM 1130 CA ILE E 5 10.184 8.213 -14.197 1.00 0.00 C ATOM 1131 C ILE E 5 9.485 6.859 -14.335 1.00 0.00 C ATOM 1132 O ILE E 5 9.225 6.186 -13.360 1.00 0.00 O ATOM 1133 CB ILE E 5 11.650 7.992 -13.800 1.00 0.00 C ATOM 1134 CG1 ILE E 5 12.075 9.029 -12.754 1.00 0.00 C ATOM 1135 CG2 ILE E 5 12.537 8.137 -15.038 1.00 0.00 C ATOM 1136 CD1 ILE E 5 11.890 10.436 -13.323 1.00 0.00 C ATOM 0 H ILE E 5 9.363 8.538 -12.257 1.00 0.00 H new ATOM 0 HA ILE E 5 10.156 8.752 -15.144 1.00 0.00 H new ATOM 0 HB ILE E 5 11.757 6.992 -13.379 1.00 0.00 H new ATOM 0 HG12 ILE E 5 11.481 8.911 -11.848 1.00 0.00 H new ATOM 0 HG13 ILE E 5 13.117 8.873 -12.475 1.00 0.00 H new ATOM 0 HG21 ILE E 5 13.579 7.981 -14.759 1.00 0.00 H new ATOM 0 HG22 ILE E 5 12.246 7.397 -15.783 1.00 0.00 H new ATOM 0 HG23 ILE E 5 12.419 9.137 -15.455 1.00 0.00 H new ATOM 0 HD11 ILE E 5 12.192 11.172 -12.578 1.00 0.00 H new ATOM 0 HD12 ILE E 5 12.503 10.551 -14.217 1.00 0.00 H new ATOM 0 HD13 ILE E 5 10.842 10.590 -13.580 1.00 0.00 H new ATOM 1148 N THR E 6 9.170 6.457 -15.535 1.00 0.00 N ATOM 1149 CA THR E 6 8.478 5.148 -15.727 1.00 0.00 C ATOM 1150 C THR E 6 9.278 4.034 -15.044 1.00 0.00 C ATOM 1151 O THR E 6 10.479 4.119 -14.897 1.00 0.00 O ATOM 1152 CB THR E 6 8.362 4.847 -17.222 1.00 0.00 C ATOM 1153 OG1 THR E 6 8.277 6.067 -17.944 1.00 0.00 O ATOM 1154 CG2 THR E 6 7.109 4.010 -17.482 1.00 0.00 C ATOM 0 H THR E 6 9.361 6.977 -16.392 1.00 0.00 H new ATOM 0 HA THR E 6 7.483 5.200 -15.286 1.00 0.00 H new ATOM 0 HB THR E 6 9.241 4.291 -17.549 1.00 0.00 H new ATOM 0 HG1 THR E 6 9.170 6.327 -18.253 1.00 0.00 H new ATOM 0 HG21 THR E 6 7.029 3.797 -18.548 1.00 0.00 H new ATOM 0 HG22 THR E 6 7.176 3.073 -16.929 1.00 0.00 H new ATOM 0 HG23 THR E 6 6.228 4.562 -17.155 1.00 0.00 H new ATOM 1162 N LEU E 7 8.618 2.984 -14.632 1.00 0.00 N ATOM 1163 CA LEU E 7 9.335 1.858 -13.964 1.00 0.00 C ATOM 1164 C LEU E 7 10.429 1.331 -14.896 1.00 0.00 C ATOM 1165 O LEU E 7 11.327 0.628 -14.478 1.00 0.00 O ATOM 1166 CB LEU E 7 8.333 0.734 -13.655 1.00 0.00 C ATOM 1167 CG LEU E 7 9.080 -0.578 -13.387 1.00 0.00 C ATOM 1168 CD1 LEU E 7 9.900 -0.448 -12.102 1.00 0.00 C ATOM 1169 CD2 LEU E 7 8.069 -1.718 -13.232 1.00 0.00 C ATOM 0 H LEU E 7 7.611 2.857 -14.730 1.00 0.00 H new ATOM 0 HA LEU E 7 9.788 2.206 -13.036 1.00 0.00 H new ATOM 0 HB2 LEU E 7 7.730 1.002 -12.787 1.00 0.00 H new ATOM 0 HB3 LEU E 7 7.647 0.607 -14.493 1.00 0.00 H new ATOM 0 HG LEU E 7 9.746 -0.792 -14.223 1.00 0.00 H new ATOM 0 HD11 LEU E 7 10.430 -1.381 -11.913 1.00 0.00 H new ATOM 0 HD12 LEU E 7 10.620 0.363 -12.210 1.00 0.00 H new ATOM 0 HD13 LEU E 7 9.235 -0.233 -11.266 1.00 0.00 H new ATOM 0 HD21 LEU E 7 8.599 -2.651 -13.041 1.00 0.00 H new ATOM 0 HD22 LEU E 7 7.403 -1.502 -12.397 1.00 0.00 H new ATOM 0 HD23 LEU E 7 7.485 -1.813 -14.147 1.00 0.00 H new ATOM 1181 N LYS E 8 10.356 1.659 -16.155 1.00 0.00 N ATOM 1182 CA LYS E 8 11.385 1.170 -17.114 1.00 0.00 C ATOM 1183 C LYS E 8 12.540 2.172 -17.201 1.00 0.00 C ATOM 1184 O LYS E 8 13.671 1.807 -17.454 1.00 0.00 O ATOM 1185 CB LYS E 8 10.744 1.001 -18.493 1.00 0.00 C ATOM 1186 CG LYS E 8 10.512 2.376 -19.122 1.00 0.00 C ATOM 1187 CD LYS E 8 11.683 2.722 -20.044 1.00 0.00 C ATOM 1188 CE LYS E 8 11.693 1.765 -21.236 1.00 0.00 C ATOM 1189 NZ LYS E 8 11.929 2.536 -22.490 1.00 0.00 N ATOM 0 H LYS E 8 9.627 2.245 -16.562 1.00 0.00 H new ATOM 0 HA LYS E 8 11.776 0.213 -16.769 1.00 0.00 H new ATOM 0 HB2 LYS E 8 11.389 0.401 -19.134 1.00 0.00 H new ATOM 0 HB3 LYS E 8 9.798 0.467 -18.403 1.00 0.00 H new ATOM 0 HG2 LYS E 8 9.579 2.377 -19.686 1.00 0.00 H new ATOM 0 HG3 LYS E 8 10.414 3.132 -18.343 1.00 0.00 H new ATOM 0 HD2 LYS E 8 11.595 3.751 -20.391 1.00 0.00 H new ATOM 0 HD3 LYS E 8 12.624 2.650 -19.498 1.00 0.00 H new ATOM 0 HE2 LYS E 8 12.472 1.014 -21.106 1.00 0.00 H new ATOM 0 HE3 LYS E 8 10.744 1.233 -21.297 1.00 0.00 H new ATOM 0 HZ1 LYS E 8 11.936 1.885 -23.301 1.00 0.00 H new ATOM 0 HZ2 LYS E 8 11.171 3.237 -22.615 1.00 0.00 H new ATOM 0 HZ3 LYS E 8 12.845 3.024 -22.430 1.00 0.00 H new ATOM 1203 N ASP E 9 12.264 3.431 -17.002 1.00 0.00 N ATOM 1204 CA ASP E 9 13.349 4.453 -17.082 1.00 0.00 C ATOM 1205 C ASP E 9 14.134 4.477 -15.770 1.00 0.00 C ATOM 1206 O ASP E 9 15.311 4.771 -15.746 1.00 0.00 O ATOM 1207 CB ASP E 9 12.735 5.833 -17.333 1.00 0.00 C ATOM 1208 CG ASP E 9 12.581 6.061 -18.838 1.00 0.00 C ATOM 1209 OD1 ASP E 9 12.932 5.170 -19.592 1.00 0.00 O ATOM 1210 OD2 ASP E 9 12.115 7.127 -19.211 1.00 0.00 O ATOM 0 H ASP E 9 11.336 3.797 -16.788 1.00 0.00 H new ATOM 0 HA ASP E 9 14.022 4.199 -17.901 1.00 0.00 H new ATOM 0 HB2 ASP E 9 11.764 5.905 -16.843 1.00 0.00 H new ATOM 0 HB3 ASP E 9 13.368 6.608 -16.901 1.00 0.00 H new ATOM 1215 N TYR E 10 13.491 4.170 -14.680 1.00 0.00 N ATOM 1216 CA TYR E 10 14.199 4.175 -13.369 1.00 0.00 C ATOM 1217 C TYR E 10 14.929 2.842 -13.191 1.00 0.00 C ATOM 1218 O TYR E 10 15.962 2.769 -12.556 1.00 0.00 O ATOM 1219 CB TYR E 10 13.177 4.364 -12.243 1.00 0.00 C ATOM 1220 CG TYR E 10 13.796 3.992 -10.915 1.00 0.00 C ATOM 1221 CD1 TYR E 10 14.917 4.686 -10.444 1.00 0.00 C ATOM 1222 CD2 TYR E 10 13.246 2.953 -10.154 1.00 0.00 C ATOM 1223 CE1 TYR E 10 15.488 4.340 -9.213 1.00 0.00 C ATOM 1224 CE2 TYR E 10 13.816 2.609 -8.924 1.00 0.00 C ATOM 1225 CZ TYR E 10 14.938 3.301 -8.453 1.00 0.00 C ATOM 1226 OH TYR E 10 15.499 2.963 -7.239 1.00 0.00 O ATOM 0 H TYR E 10 12.504 3.915 -14.639 1.00 0.00 H new ATOM 0 HA TYR E 10 14.921 4.991 -13.338 1.00 0.00 H new ATOM 0 HB2 TYR E 10 12.838 5.400 -12.218 1.00 0.00 H new ATOM 0 HB3 TYR E 10 12.299 3.746 -12.430 1.00 0.00 H new ATOM 0 HD1 TYR E 10 15.341 5.488 -11.030 1.00 0.00 H new ATOM 0 HD2 TYR E 10 12.381 2.417 -10.517 1.00 0.00 H new ATOM 0 HE1 TYR E 10 16.353 4.875 -8.850 1.00 0.00 H new ATOM 0 HE2 TYR E 10 13.390 1.809 -8.337 1.00 0.00 H new ATOM 0 HH TYR E 10 14.995 2.223 -6.841 1.00 0.00 H new ATOM 1236 N ALA E 11 14.399 1.791 -13.751 1.00 0.00 N ATOM 1237 CA ALA E 11 15.058 0.461 -13.619 1.00 0.00 C ATOM 1238 C ALA E 11 16.236 0.374 -14.593 1.00 0.00 C ATOM 1239 O ALA E 11 17.215 -0.298 -14.336 1.00 0.00 O ATOM 1240 CB ALA E 11 14.046 -0.640 -13.943 1.00 0.00 C ATOM 0 H ALA E 11 13.536 1.795 -14.295 1.00 0.00 H new ATOM 0 HA ALA E 11 15.422 0.335 -12.599 1.00 0.00 H new ATOM 0 HB1 ALA E 11 14.525 -1.614 -13.847 1.00 0.00 H new ATOM 0 HB2 ALA E 11 13.207 -0.579 -13.250 1.00 0.00 H new ATOM 0 HB3 ALA E 11 13.684 -0.512 -14.963 1.00 0.00 H new ATOM 1246 N MET E 12 16.150 1.043 -15.713 1.00 0.00 N ATOM 1247 CA MET E 12 17.261 0.994 -16.698 1.00 0.00 C ATOM 1248 C MET E 12 18.247 2.137 -16.418 1.00 0.00 C ATOM 1249 O MET E 12 19.426 2.032 -16.692 1.00 0.00 O ATOM 1250 CB MET E 12 16.668 1.120 -18.112 1.00 0.00 C ATOM 1251 CG MET E 12 17.671 1.781 -19.058 1.00 0.00 C ATOM 1252 SD MET E 12 17.421 1.161 -20.739 1.00 0.00 S ATOM 1253 CE MET E 12 16.831 2.709 -21.468 1.00 0.00 C ATOM 0 H MET E 12 15.355 1.621 -15.985 1.00 0.00 H new ATOM 0 HA MET E 12 17.800 0.050 -16.617 1.00 0.00 H new ATOM 0 HB2 MET E 12 16.400 0.133 -18.489 1.00 0.00 H new ATOM 0 HB3 MET E 12 15.751 1.708 -18.077 1.00 0.00 H new ATOM 0 HG2 MET E 12 17.547 2.864 -19.037 1.00 0.00 H new ATOM 0 HG3 MET E 12 18.689 1.570 -18.730 1.00 0.00 H new ATOM 0 HE1 MET E 12 16.612 2.553 -22.524 1.00 0.00 H new ATOM 0 HE2 MET E 12 15.926 3.032 -20.953 1.00 0.00 H new ATOM 0 HE3 MET E 12 17.599 3.475 -21.366 1.00 0.00 H new ATOM 1263 N ARG E 13 17.773 3.230 -15.888 1.00 0.00 N ATOM 1264 CA ARG E 13 18.684 4.377 -15.608 1.00 0.00 C ATOM 1265 C ARG E 13 19.263 4.255 -14.197 1.00 0.00 C ATOM 1266 O ARG E 13 20.204 4.938 -13.844 1.00 0.00 O ATOM 1267 CB ARG E 13 17.901 5.686 -15.724 1.00 0.00 C ATOM 1268 CG ARG E 13 17.382 5.844 -17.154 1.00 0.00 C ATOM 1269 CD ARG E 13 18.418 6.593 -17.994 1.00 0.00 C ATOM 1270 NE ARG E 13 17.834 6.926 -19.323 1.00 0.00 N ATOM 1271 CZ ARG E 13 17.372 8.125 -19.550 1.00 0.00 C ATOM 1272 NH1 ARG E 13 16.246 8.502 -19.010 1.00 0.00 N ATOM 1273 NH2 ARG E 13 18.037 8.946 -20.317 1.00 0.00 N ATOM 0 H ARG E 13 16.796 3.379 -15.637 1.00 0.00 H new ATOM 0 HA ARG E 13 19.500 4.369 -16.330 1.00 0.00 H new ATOM 0 HB2 ARG E 13 17.068 5.688 -15.021 1.00 0.00 H new ATOM 0 HB3 ARG E 13 18.540 6.529 -15.462 1.00 0.00 H new ATOM 0 HG2 ARG E 13 17.184 4.865 -17.590 1.00 0.00 H new ATOM 0 HG3 ARG E 13 16.438 6.389 -17.151 1.00 0.00 H new ATOM 0 HD2 ARG E 13 18.727 7.504 -17.482 1.00 0.00 H new ATOM 0 HD3 ARG E 13 19.311 5.981 -18.120 1.00 0.00 H new ATOM 0 HE ARG E 13 17.795 6.217 -20.055 1.00 0.00 H new ATOM 0 HH11 ARG E 13 15.727 7.860 -18.411 1.00 0.00 H new ATOM 0 HH12 ARG E 13 15.884 9.439 -19.187 1.00 0.00 H new ATOM 0 HH21 ARG E 13 18.917 8.650 -20.739 1.00 0.00 H new ATOM 0 HH22 ARG E 13 17.676 9.883 -20.495 1.00 0.00 H new ATOM 1287 N PHE E 14 18.712 3.397 -13.385 1.00 0.00 N ATOM 1288 CA PHE E 14 19.240 3.246 -12.001 1.00 0.00 C ATOM 1289 C PHE E 14 19.526 1.772 -11.717 1.00 0.00 C ATOM 1290 O PHE E 14 20.463 1.434 -11.019 1.00 0.00 O ATOM 1291 CB PHE E 14 18.207 3.771 -11.002 1.00 0.00 C ATOM 1292 CG PHE E 14 17.802 5.174 -11.387 1.00 0.00 C ATOM 1293 CD1 PHE E 14 17.095 5.399 -12.575 1.00 0.00 C ATOM 1294 CD2 PHE E 14 18.130 6.251 -10.554 1.00 0.00 C ATOM 1295 CE1 PHE E 14 16.717 6.700 -12.929 1.00 0.00 C ATOM 1296 CE2 PHE E 14 17.752 7.552 -10.909 1.00 0.00 C ATOM 1297 CZ PHE E 14 17.046 7.776 -12.096 1.00 0.00 C ATOM 0 H PHE E 14 17.922 2.796 -13.619 1.00 0.00 H new ATOM 0 HA PHE E 14 20.164 3.816 -11.902 1.00 0.00 H new ATOM 0 HB2 PHE E 14 17.333 3.119 -10.990 1.00 0.00 H new ATOM 0 HB3 PHE E 14 18.624 3.765 -9.995 1.00 0.00 H new ATOM 0 HD1 PHE E 14 16.841 4.569 -13.218 1.00 0.00 H new ATOM 0 HD2 PHE E 14 18.675 6.078 -9.638 1.00 0.00 H new ATOM 0 HE1 PHE E 14 16.172 6.873 -13.845 1.00 0.00 H new ATOM 0 HE2 PHE E 14 18.005 8.382 -10.267 1.00 0.00 H new ATOM 0 HZ PHE E 14 16.755 8.779 -12.370 1.00 0.00 H new ATOM 1307 N GLY E 15 18.730 0.888 -12.250 1.00 0.00 N ATOM 1308 CA GLY E 15 18.962 -0.563 -12.008 1.00 0.00 C ATOM 1309 C GLY E 15 17.624 -1.266 -11.777 1.00 0.00 C ATOM 1310 O GLY E 15 16.727 -0.730 -11.156 1.00 0.00 O ATOM 0 H GLY E 15 17.929 1.107 -12.842 1.00 0.00 H new ATOM 0 HA2 GLY E 15 19.475 -1.007 -12.862 1.00 0.00 H new ATOM 0 HA3 GLY E 15 19.610 -0.698 -11.142 1.00 0.00 H new ATOM 1314 N GLN E 16 17.482 -2.466 -12.270 1.00 0.00 N ATOM 1315 CA GLN E 16 16.204 -3.205 -12.078 1.00 0.00 C ATOM 1316 C GLN E 16 16.228 -3.912 -10.723 1.00 0.00 C ATOM 1317 O GLN E 16 15.222 -4.034 -10.054 1.00 0.00 O ATOM 1318 CB GLN E 16 16.035 -4.247 -13.186 1.00 0.00 C ATOM 1319 CG GLN E 16 16.448 -3.650 -14.534 1.00 0.00 C ATOM 1320 CD GLN E 16 17.134 -4.727 -15.376 1.00 0.00 C ATOM 1321 OE1 GLN E 16 16.825 -4.893 -16.539 1.00 0.00 O ATOM 1322 NE2 GLN E 16 18.057 -5.471 -14.832 1.00 0.00 N ATOM 0 H GLN E 16 18.197 -2.966 -12.798 1.00 0.00 H new ATOM 0 HA GLN E 16 15.373 -2.501 -12.114 1.00 0.00 H new ATOM 0 HB2 GLN E 16 16.642 -5.125 -12.966 1.00 0.00 H new ATOM 0 HB3 GLN E 16 14.998 -4.579 -13.229 1.00 0.00 H new ATOM 0 HG2 GLN E 16 15.573 -3.266 -15.058 1.00 0.00 H new ATOM 0 HG3 GLN E 16 17.123 -2.808 -14.380 1.00 0.00 H new ATOM 0 HE21 GLN E 16 18.315 -5.330 -13.855 1.00 0.00 H new ATOM 0 HE22 GLN E 16 18.520 -6.193 -15.383 1.00 0.00 H new ATOM 1331 N THR E 17 17.376 -4.380 -10.314 1.00 0.00 N ATOM 1332 CA THR E 17 17.472 -5.083 -9.004 1.00 0.00 C ATOM 1333 C THR E 17 17.177 -4.096 -7.871 1.00 0.00 C ATOM 1334 O THR E 17 16.594 -4.450 -6.865 1.00 0.00 O ATOM 1335 CB THR E 17 18.885 -5.651 -8.832 1.00 0.00 C ATOM 1336 OG1 THR E 17 19.131 -6.619 -9.842 1.00 0.00 O ATOM 1337 CG2 THR E 17 19.012 -6.303 -7.455 1.00 0.00 C ATOM 0 H THR E 17 18.252 -4.306 -10.831 1.00 0.00 H new ATOM 0 HA THR E 17 16.747 -5.896 -8.974 1.00 0.00 H new ATOM 0 HB THR E 17 19.613 -4.844 -8.917 1.00 0.00 H new ATOM 0 HG1 THR E 17 18.455 -6.536 -10.547 1.00 0.00 H new ATOM 0 HG21 THR E 17 20.017 -6.706 -7.335 1.00 0.00 H new ATOM 0 HG22 THR E 17 18.825 -5.558 -6.681 1.00 0.00 H new ATOM 0 HG23 THR E 17 18.284 -7.110 -7.366 1.00 0.00 H new ATOM 1345 N LYS E 18 17.577 -2.864 -8.022 1.00 0.00 N ATOM 1346 CA LYS E 18 17.319 -1.864 -6.948 1.00 0.00 C ATOM 1347 C LYS E 18 15.874 -1.370 -7.036 1.00 0.00 C ATOM 1348 O LYS E 18 15.264 -1.033 -6.040 1.00 0.00 O ATOM 1349 CB LYS E 18 18.279 -0.682 -7.105 1.00 0.00 C ATOM 1350 CG LYS E 18 18.132 -0.082 -8.505 1.00 0.00 C ATOM 1351 CD LYS E 18 18.240 1.442 -8.421 1.00 0.00 C ATOM 1352 CE LYS E 18 19.627 1.829 -7.907 1.00 0.00 C ATOM 1353 NZ LYS E 18 19.767 3.312 -7.922 1.00 0.00 N ATOM 0 H LYS E 18 18.070 -2.507 -8.840 1.00 0.00 H new ATOM 0 HA LYS E 18 17.478 -2.332 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS E 18 18.066 0.075 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS E 18 19.306 -1.011 -6.946 1.00 0.00 H new ATOM 0 HG2 LYS E 18 18.905 -0.476 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS E 18 17.171 -0.366 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS E 18 18.068 1.884 -9.403 1.00 0.00 H new ATOM 0 HD3 LYS E 18 17.471 1.835 -7.756 1.00 0.00 H new ATOM 0 HE2 LYS E 18 19.770 1.450 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS E 18 20.397 1.374 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS E 18 20.242 3.625 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS E 18 20.332 3.599 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS E 18 18.825 3.749 -7.979 1.00 0.00 H new ATOM 1367 N THR E 19 15.315 -1.329 -8.215 1.00 0.00 N ATOM 1368 CA THR E 19 13.908 -0.860 -8.350 1.00 0.00 C ATOM 1369 C THR E 19 12.978 -1.890 -7.710 1.00 0.00 C ATOM 1370 O THR E 19 11.953 -1.555 -7.149 1.00 0.00 O ATOM 1371 CB THR E 19 13.555 -0.691 -9.832 1.00 0.00 C ATOM 1372 OG1 THR E 19 14.469 0.216 -10.432 1.00 0.00 O ATOM 1373 CG2 THR E 19 12.129 -0.145 -9.963 1.00 0.00 C ATOM 0 H THR E 19 15.770 -1.599 -9.087 1.00 0.00 H new ATOM 0 HA THR E 19 13.792 0.101 -7.850 1.00 0.00 H new ATOM 0 HB THR E 19 13.617 -1.657 -10.333 1.00 0.00 H new ATOM 0 HG1 THR E 19 14.244 1.132 -10.165 1.00 0.00 H new ATOM 0 HG21 THR E 19 11.881 -0.026 -11.018 1.00 0.00 H new ATOM 0 HG22 THR E 19 11.429 -0.842 -9.502 1.00 0.00 H new ATOM 0 HG23 THR E 19 12.062 0.821 -9.463 1.00 0.00 H new ATOM 1381 N ALA E 20 13.335 -3.142 -7.782 1.00 0.00 N ATOM 1382 CA ALA E 20 12.482 -4.197 -7.169 1.00 0.00 C ATOM 1383 C ALA E 20 12.771 -4.259 -5.669 1.00 0.00 C ATOM 1384 O ALA E 20 11.912 -4.576 -4.872 1.00 0.00 O ATOM 1385 CB ALA E 20 12.806 -5.548 -7.809 1.00 0.00 C ATOM 0 H ALA E 20 14.182 -3.480 -8.239 1.00 0.00 H new ATOM 0 HA ALA E 20 11.430 -3.965 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA E 20 12.182 -6.322 -7.361 1.00 0.00 H new ATOM 0 HB2 ALA E 20 12.611 -5.499 -8.880 1.00 0.00 H new ATOM 0 HB3 ALA E 20 13.856 -5.787 -7.642 1.00 0.00 H new ATOM 1391 N LYS E 21 13.977 -3.950 -5.279 1.00 0.00 N ATOM 1392 CA LYS E 21 14.324 -3.984 -3.831 1.00 0.00 C ATOM 1393 C LYS E 21 13.745 -2.744 -3.148 1.00 0.00 C ATOM 1394 O LYS E 21 13.602 -2.696 -1.943 1.00 0.00 O ATOM 1395 CB LYS E 21 15.845 -3.992 -3.668 1.00 0.00 C ATOM 1396 CG LYS E 21 16.289 -5.344 -3.101 1.00 0.00 C ATOM 1397 CD LYS E 21 17.681 -5.207 -2.484 1.00 0.00 C ATOM 1398 CE LYS E 21 17.815 -6.171 -1.304 1.00 0.00 C ATOM 1399 NZ LYS E 21 18.733 -5.585 -0.288 1.00 0.00 N ATOM 0 H LYS E 21 14.737 -3.675 -5.901 1.00 0.00 H new ATOM 0 HA LYS E 21 13.909 -4.883 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS E 21 16.326 -3.813 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS E 21 16.155 -3.187 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS E 21 15.578 -5.686 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS E 21 16.302 -6.095 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS E 21 18.444 -5.423 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS E 21 17.843 -4.182 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS E 21 16.837 -6.359 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS E 21 18.200 -7.132 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS E 21 18.825 -6.239 0.515 1.00 0.00 H new ATOM 0 HZ2 LYS E 21 19.668 -5.427 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS E 21 18.348 -4.679 0.046 1.00 0.00 H new ATOM 1413 N ASP E 22 13.406 -1.742 -3.913 1.00 0.00 N ATOM 1414 CA ASP E 22 12.831 -0.506 -3.312 1.00 0.00 C ATOM 1415 C ASP E 22 11.313 -0.654 -3.214 1.00 0.00 C ATOM 1416 O ASP E 22 10.697 -0.230 -2.256 1.00 0.00 O ATOM 1417 CB ASP E 22 13.172 0.696 -4.195 1.00 0.00 C ATOM 1418 CG ASP E 22 13.788 1.801 -3.336 1.00 0.00 C ATOM 1419 OD1 ASP E 22 13.516 1.821 -2.148 1.00 0.00 O ATOM 1420 OD2 ASP E 22 14.522 2.609 -3.882 1.00 0.00 O ATOM 0 H ASP E 22 13.503 -1.726 -4.928 1.00 0.00 H new ATOM 0 HA ASP E 22 13.248 -0.353 -2.317 1.00 0.00 H new ATOM 0 HB2 ASP E 22 13.869 0.399 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP E 22 12.273 1.064 -4.690 1.00 0.00 H new ATOM 1425 N LEU E 23 10.706 -1.256 -4.199 1.00 0.00 N ATOM 1426 CA LEU E 23 9.228 -1.437 -4.167 1.00 0.00 C ATOM 1427 C LEU E 23 8.892 -2.766 -3.488 1.00 0.00 C ATOM 1428 O LEU E 23 7.750 -3.050 -3.188 1.00 0.00 O ATOM 1429 CB LEU E 23 8.683 -1.444 -5.596 1.00 0.00 C ATOM 1430 CG LEU E 23 8.916 -0.077 -6.237 1.00 0.00 C ATOM 1431 CD1 LEU E 23 9.393 -0.263 -7.677 1.00 0.00 C ATOM 1432 CD2 LEU E 23 7.607 0.719 -6.233 1.00 0.00 C ATOM 0 H LEU E 23 11.171 -1.631 -5.026 1.00 0.00 H new ATOM 0 HA LEU E 23 8.774 -0.618 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU E 23 9.176 -2.220 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU E 23 7.618 -1.678 -5.589 1.00 0.00 H new ATOM 0 HG LEU E 23 9.673 0.465 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU E 23 9.559 0.712 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU E 23 10.324 -0.829 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU E 23 8.636 -0.805 -8.244 1.00 0.00 H new ATOM 0 HD21 LEU E 23 7.773 1.694 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU E 23 6.850 0.177 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU E 23 7.266 0.853 -5.207 1.00 0.00 H new ATOM 1444 N GLY E 24 9.879 -3.585 -3.245 1.00 0.00 N ATOM 1445 CA GLY E 24 9.616 -4.896 -2.588 1.00 0.00 C ATOM 1446 C GLY E 24 9.176 -5.917 -3.639 1.00 0.00 C ATOM 1447 O GLY E 24 8.631 -6.954 -3.319 1.00 0.00 O ATOM 0 H GLY E 24 10.856 -3.402 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY E 24 10.514 -5.246 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY E 24 8.843 -4.785 -1.828 1.00 0.00 H new ATOM 1451 N VAL E 25 9.406 -5.633 -4.893 1.00 0.00 N ATOM 1452 CA VAL E 25 8.997 -6.591 -5.962 1.00 0.00 C ATOM 1453 C VAL E 25 10.176 -7.503 -6.305 1.00 0.00 C ATOM 1454 O VAL E 25 11.187 -7.507 -5.633 1.00 0.00 O ATOM 1455 CB VAL E 25 8.560 -5.835 -7.226 1.00 0.00 C ATOM 1456 CG1 VAL E 25 7.222 -6.393 -7.713 1.00 0.00 C ATOM 1457 CG2 VAL E 25 8.400 -4.339 -6.927 1.00 0.00 C ATOM 0 H VAL E 25 9.859 -4.781 -5.223 1.00 0.00 H new ATOM 0 HA VAL E 25 8.158 -7.184 -5.597 1.00 0.00 H new ATOM 0 HB VAL E 25 9.323 -5.965 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL E 25 6.910 -5.858 -8.610 1.00 0.00 H new ATOM 0 HG12 VAL E 25 7.332 -7.453 -7.942 1.00 0.00 H new ATOM 0 HG13 VAL E 25 6.470 -6.266 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL E 25 8.090 -3.818 -7.833 1.00 0.00 H new ATOM 0 HG22 VAL E 25 7.645 -4.201 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL E 25 9.351 -3.933 -6.582 1.00 0.00 H new ATOM 1467 N TYR E 26 10.050 -8.281 -7.345 1.00 0.00 N ATOM 1468 CA TYR E 26 11.163 -9.200 -7.732 1.00 0.00 C ATOM 1469 C TYR E 26 11.781 -8.723 -9.048 1.00 0.00 C ATOM 1470 O TYR E 26 11.241 -7.868 -9.723 1.00 0.00 O ATOM 1471 CB TYR E 26 10.628 -10.627 -7.914 1.00 0.00 C ATOM 1472 CG TYR E 26 9.315 -10.789 -7.184 1.00 0.00 C ATOM 1473 CD1 TYR E 26 9.181 -10.327 -5.868 1.00 0.00 C ATOM 1474 CD2 TYR E 26 8.230 -11.398 -7.825 1.00 0.00 C ATOM 1475 CE1 TYR E 26 7.963 -10.476 -5.195 1.00 0.00 C ATOM 1476 CE2 TYR E 26 7.012 -11.546 -7.152 1.00 0.00 C ATOM 1477 CZ TYR E 26 6.879 -11.086 -5.838 1.00 0.00 C ATOM 1478 OH TYR E 26 5.677 -11.233 -5.174 1.00 0.00 O ATOM 0 H TYR E 26 9.226 -8.322 -7.945 1.00 0.00 H new ATOM 0 HA TYR E 26 11.917 -9.197 -6.945 1.00 0.00 H new ATOM 0 HB2 TYR E 26 10.492 -10.840 -8.974 1.00 0.00 H new ATOM 0 HB3 TYR E 26 11.354 -11.346 -7.536 1.00 0.00 H new ATOM 0 HD1 TYR E 26 10.017 -9.856 -5.373 1.00 0.00 H new ATOM 0 HD2 TYR E 26 8.333 -11.754 -8.839 1.00 0.00 H new ATOM 0 HE1 TYR E 26 7.859 -10.121 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR E 26 6.175 -12.015 -7.647 1.00 0.00 H new ATOM 0 HH TYR E 26 5.030 -11.675 -5.763 1.00 0.00 H new ATOM 1488 N GLN E 27 12.906 -9.268 -9.421 1.00 0.00 N ATOM 1489 CA GLN E 27 13.553 -8.843 -10.694 1.00 0.00 C ATOM 1490 C GLN E 27 12.685 -9.272 -11.876 1.00 0.00 C ATOM 1491 O GLN E 27 12.505 -8.538 -12.828 1.00 0.00 O ATOM 1492 CB GLN E 27 14.931 -9.495 -10.811 1.00 0.00 C ATOM 1493 CG GLN E 27 15.925 -8.751 -9.917 1.00 0.00 C ATOM 1494 CD GLN E 27 17.304 -8.747 -10.579 1.00 0.00 C ATOM 1495 OE1 GLN E 27 17.622 -7.777 -11.392 1.00 0.00 O flip ATOM 1496 NE2 GLN E 27 18.099 -9.637 -10.354 1.00 0.00 N flip ATOM 0 H GLN E 27 13.405 -9.989 -8.900 1.00 0.00 H new ATOM 0 HA GLN E 27 13.663 -7.759 -10.699 1.00 0.00 H new ATOM 0 HB2 GLN E 27 14.875 -10.543 -10.517 1.00 0.00 H new ATOM 0 HB3 GLN E 27 15.269 -9.472 -11.847 1.00 0.00 H new ATOM 0 HG2 GLN E 27 15.586 -7.728 -9.752 1.00 0.00 H new ATOM 0 HG3 GLN E 27 15.981 -9.230 -8.940 1.00 0.00 H new ATOM 0 HE21 GLN E 27 17.850 -10.395 -9.718 1.00 0.00 H new ATOM 0 HE22 GLN E 27 19.016 -9.627 -10.801 1.00 0.00 H new ATOM 1505 N SER E 28 12.143 -10.456 -11.820 1.00 0.00 N ATOM 1506 CA SER E 28 11.283 -10.936 -12.937 1.00 0.00 C ATOM 1507 C SER E 28 9.983 -10.132 -12.959 1.00 0.00 C ATOM 1508 O SER E 28 9.192 -10.234 -13.877 1.00 0.00 O ATOM 1509 CB SER E 28 10.963 -12.417 -12.735 1.00 0.00 C ATOM 1510 OG SER E 28 12.089 -13.197 -13.114 1.00 0.00 O ATOM 0 H SER E 28 12.258 -11.113 -11.048 1.00 0.00 H new ATOM 0 HA SER E 28 11.809 -10.805 -13.883 1.00 0.00 H new ATOM 0 HB2 SER E 28 10.709 -12.607 -11.692 1.00 0.00 H new ATOM 0 HB3 SER E 28 10.095 -12.698 -13.331 1.00 0.00 H new ATOM 0 HG SER E 28 11.887 -14.147 -12.984 1.00 0.00 H new ATOM 1516 N ALA E 29 9.760 -9.322 -11.962 1.00 0.00 N ATOM 1517 CA ALA E 29 8.517 -8.506 -11.932 1.00 0.00 C ATOM 1518 C ALA E 29 8.796 -7.182 -12.631 1.00 0.00 C ATOM 1519 O ALA E 29 7.947 -6.619 -13.291 1.00 0.00 O ATOM 1520 CB ALA E 29 8.108 -8.244 -10.481 1.00 0.00 C ATOM 0 H ALA E 29 10.386 -9.191 -11.167 1.00 0.00 H new ATOM 0 HA ALA E 29 7.709 -9.035 -12.437 1.00 0.00 H new ATOM 0 HB1 ALA E 29 7.197 -7.646 -10.462 1.00 0.00 H new ATOM 0 HB2 ALA E 29 7.929 -9.193 -9.976 1.00 0.00 H new ATOM 0 HB3 ALA E 29 8.906 -7.706 -9.970 1.00 0.00 H new ATOM 1526 N ILE E 30 9.995 -6.689 -12.498 1.00 0.00 N ATOM 1527 CA ILE E 30 10.350 -5.410 -13.161 1.00 0.00 C ATOM 1528 C ILE E 30 10.481 -5.658 -14.661 1.00 0.00 C ATOM 1529 O ILE E 30 10.036 -4.873 -15.475 1.00 0.00 O ATOM 1530 CB ILE E 30 11.679 -4.903 -12.604 1.00 0.00 C ATOM 1531 CG1 ILE E 30 11.515 -4.565 -11.119 1.00 0.00 C ATOM 1532 CG2 ILE E 30 12.102 -3.649 -13.365 1.00 0.00 C ATOM 1533 CD1 ILE E 30 10.342 -3.601 -10.940 1.00 0.00 C ATOM 0 H ILE E 30 10.745 -7.120 -11.957 1.00 0.00 H new ATOM 0 HA ILE E 30 9.578 -4.663 -12.976 1.00 0.00 H new ATOM 0 HB ILE E 30 12.440 -5.675 -12.720 1.00 0.00 H new ATOM 0 HG12 ILE E 30 11.342 -5.475 -10.545 1.00 0.00 H new ATOM 0 HG13 ILE E 30 12.431 -4.115 -10.735 1.00 0.00 H new ATOM 0 HG21 ILE E 30 13.050 -3.286 -12.969 1.00 0.00 H new ATOM 0 HG22 ILE E 30 12.218 -3.887 -14.422 1.00 0.00 H new ATOM 0 HG23 ILE E 30 11.340 -2.878 -13.248 1.00 0.00 H new ATOM 0 HD11 ILE E 30 10.226 -3.361 -9.883 1.00 0.00 H new ATOM 0 HD12 ILE E 30 10.534 -2.686 -11.501 1.00 0.00 H new ATOM 0 HD13 ILE E 30 9.428 -4.067 -11.308 1.00 0.00 H new ATOM 1545 N ASN E 31 11.079 -6.755 -15.031 1.00 0.00 N ATOM 1546 CA ASN E 31 11.230 -7.070 -16.477 1.00 0.00 C ATOM 1547 C ASN E 31 9.859 -7.421 -17.051 1.00 0.00 C ATOM 1548 O ASN E 31 9.481 -6.959 -18.109 1.00 0.00 O ATOM 1549 CB ASN E 31 12.178 -8.258 -16.649 1.00 0.00 C ATOM 1550 CG ASN E 31 12.633 -8.341 -18.106 1.00 0.00 C ATOM 1551 OD1 ASN E 31 12.219 -7.549 -18.931 1.00 0.00 O ATOM 1552 ND2 ASN E 31 13.472 -9.273 -18.463 1.00 0.00 N ATOM 0 H ASN E 31 11.470 -7.448 -14.393 1.00 0.00 H new ATOM 0 HA ASN E 31 11.642 -6.208 -17.002 1.00 0.00 H new ATOM 0 HB2 ASN E 31 13.041 -8.146 -15.993 1.00 0.00 H new ATOM 0 HB3 ASN E 31 11.676 -9.182 -16.360 1.00 0.00 H new ATOM 0 HD21 ASN E 31 13.780 -9.337 -19.433 1.00 0.00 H new ATOM 0 HD22 ASN E 31 13.820 -9.938 -17.772 1.00 0.00 H new ATOM 1559 N LYS E 32 9.102 -8.230 -16.355 1.00 0.00 N ATOM 1560 CA LYS E 32 7.752 -8.596 -16.862 1.00 0.00 C ATOM 1561 C LYS E 32 6.909 -7.327 -16.979 1.00 0.00 C ATOM 1562 O LYS E 32 6.101 -7.188 -17.875 1.00 0.00 O ATOM 1563 CB LYS E 32 7.086 -9.575 -15.891 1.00 0.00 C ATOM 1564 CG LYS E 32 7.514 -11.003 -16.239 1.00 0.00 C ATOM 1565 CD LYS E 32 7.514 -11.858 -14.971 1.00 0.00 C ATOM 1566 CE LYS E 32 6.392 -12.895 -15.054 1.00 0.00 C ATOM 1567 NZ LYS E 32 6.532 -13.681 -16.314 1.00 0.00 N ATOM 0 H LYS E 32 9.361 -8.650 -15.462 1.00 0.00 H new ATOM 0 HA LYS E 32 7.838 -9.071 -17.839 1.00 0.00 H new ATOM 0 HB2 LYS E 32 7.370 -9.338 -14.866 1.00 0.00 H new ATOM 0 HB3 LYS E 32 6.002 -9.483 -15.951 1.00 0.00 H new ATOM 0 HG2 LYS E 32 6.834 -11.428 -16.977 1.00 0.00 H new ATOM 0 HG3 LYS E 32 8.508 -10.997 -16.687 1.00 0.00 H new ATOM 0 HD2 LYS E 32 8.476 -12.357 -14.856 1.00 0.00 H new ATOM 0 HD3 LYS E 32 7.375 -11.226 -14.094 1.00 0.00 H new ATOM 0 HE2 LYS E 32 6.433 -13.560 -14.192 1.00 0.00 H new ATOM 0 HE3 LYS E 32 5.422 -12.399 -15.028 1.00 0.00 H new ATOM 0 HZ1 LYS E 32 6.319 -14.681 -16.125 1.00 0.00 H new ATOM 0 HZ2 LYS E 32 5.869 -13.315 -17.027 1.00 0.00 H new ATOM 0 HZ3 LYS E 32 7.505 -13.596 -16.670 1.00 0.00 H new ATOM 1581 N ALA E 33 7.105 -6.392 -16.090 1.00 0.00 N ATOM 1582 CA ALA E 33 6.328 -5.125 -16.163 1.00 0.00 C ATOM 1583 C ALA E 33 6.668 -4.425 -17.477 1.00 0.00 C ATOM 1584 O ALA E 33 5.810 -3.904 -18.160 1.00 0.00 O ATOM 1585 CB ALA E 33 6.702 -4.222 -14.987 1.00 0.00 C ATOM 0 H ALA E 33 7.769 -6.452 -15.318 1.00 0.00 H new ATOM 0 HA ALA E 33 5.260 -5.338 -16.117 1.00 0.00 H new ATOM 0 HB1 ALA E 33 6.131 -3.295 -15.044 1.00 0.00 H new ATOM 0 HB2 ALA E 33 6.475 -4.731 -14.051 1.00 0.00 H new ATOM 0 HB3 ALA E 33 7.767 -3.995 -15.027 1.00 0.00 H new ATOM 1591 N ILE E 34 7.920 -4.427 -17.840 1.00 0.00 N ATOM 1592 CA ILE E 34 8.330 -3.780 -19.116 1.00 0.00 C ATOM 1593 C ILE E 34 7.856 -4.653 -20.279 1.00 0.00 C ATOM 1594 O ILE E 34 7.714 -4.198 -21.397 1.00 0.00 O ATOM 1595 CB ILE E 34 9.854 -3.653 -19.158 1.00 0.00 C ATOM 1596 CG1 ILE E 34 10.300 -2.555 -18.187 1.00 0.00 C ATOM 1597 CG2 ILE E 34 10.299 -3.293 -20.576 1.00 0.00 C ATOM 1598 CD1 ILE E 34 11.609 -2.968 -17.512 1.00 0.00 C ATOM 0 H ILE E 34 8.679 -4.850 -17.306 1.00 0.00 H new ATOM 0 HA ILE E 34 7.888 -2.787 -19.191 1.00 0.00 H new ATOM 0 HB ILE E 34 10.306 -4.601 -18.868 1.00 0.00 H new ATOM 0 HG12 ILE E 34 10.436 -1.615 -18.722 1.00 0.00 H new ATOM 0 HG13 ILE E 34 9.529 -2.385 -17.435 1.00 0.00 H new ATOM 0 HG21 ILE E 34 11.385 -3.203 -20.605 1.00 0.00 H new ATOM 0 HG22 ILE E 34 9.981 -4.074 -21.266 1.00 0.00 H new ATOM 0 HG23 ILE E 34 9.848 -2.345 -20.869 1.00 0.00 H new ATOM 0 HD11 ILE E 34 11.925 -2.186 -16.822 1.00 0.00 H new ATOM 0 HD12 ILE E 34 11.458 -3.897 -16.963 1.00 0.00 H new ATOM 0 HD13 ILE E 34 12.378 -3.115 -18.270 1.00 0.00 H new ATOM 1610 N HIS E 35 7.611 -5.907 -20.018 1.00 0.00 N ATOM 1611 CA HIS E 35 7.144 -6.822 -21.095 1.00 0.00 C ATOM 1612 C HIS E 35 5.658 -6.575 -21.365 1.00 0.00 C ATOM 1613 O HIS E 35 5.180 -6.754 -22.467 1.00 0.00 O ATOM 1614 CB HIS E 35 7.347 -8.270 -20.647 1.00 0.00 C ATOM 1615 CG HIS E 35 8.776 -8.671 -20.885 1.00 0.00 C ATOM 1616 ND1 HIS E 35 9.489 -8.234 -21.989 1.00 0.00 N ATOM 1617 CD2 HIS E 35 9.638 -9.465 -20.171 1.00 0.00 C ATOM 1618 CE1 HIS E 35 10.724 -8.764 -21.911 1.00 0.00 C ATOM 1619 NE2 HIS E 35 10.867 -9.524 -20.821 1.00 0.00 N ATOM 0 H HIS E 35 7.715 -6.339 -19.100 1.00 0.00 H new ATOM 0 HA HIS E 35 7.713 -6.637 -22.006 1.00 0.00 H new ATOM 0 HB2 HIS E 35 7.100 -8.373 -19.590 1.00 0.00 H new ATOM 0 HB3 HIS E 35 6.676 -8.930 -21.197 1.00 0.00 H new ATOM 0 HD2 HIS E 35 9.399 -9.968 -19.245 1.00 0.00 H new ATOM 0 HE1 HIS E 35 11.503 -8.596 -22.640 1.00 0.00 H new ATOM 0 HE2 HIS E 35 11.699 -10.037 -20.528 1.00 0.00 H new ATOM 1627 N ALA E 36 4.925 -6.162 -20.368 1.00 0.00 N ATOM 1628 CA ALA E 36 3.471 -5.905 -20.569 1.00 0.00 C ATOM 1629 C ALA E 36 3.273 -4.479 -21.088 1.00 0.00 C ATOM 1630 O ALA E 36 2.212 -4.120 -21.557 1.00 0.00 O ATOM 1631 CB ALA E 36 2.732 -6.073 -19.239 1.00 0.00 C ATOM 0 H ALA E 36 5.270 -5.991 -19.423 1.00 0.00 H new ATOM 0 HA ALA E 36 3.074 -6.615 -21.295 1.00 0.00 H new ATOM 0 HB1 ALA E 36 1.669 -5.885 -19.387 1.00 0.00 H new ATOM 0 HB2 ALA E 36 2.873 -7.089 -18.870 1.00 0.00 H new ATOM 0 HB3 ALA E 36 3.128 -5.365 -18.511 1.00 0.00 H new ATOM 1637 N GLY E 37 4.290 -3.663 -21.010 1.00 0.00 N ATOM 1638 CA GLY E 37 4.161 -2.262 -21.500 1.00 0.00 C ATOM 1639 C GLY E 37 2.968 -1.586 -20.821 1.00 0.00 C ATOM 1640 O GLY E 37 2.453 -0.593 -21.297 1.00 0.00 O ATOM 0 H GLY E 37 5.204 -3.907 -20.628 1.00 0.00 H new ATOM 0 HA2 GLY E 37 5.075 -1.707 -21.288 1.00 0.00 H new ATOM 0 HA3 GLY E 37 4.028 -2.256 -22.582 1.00 0.00 H new ATOM 1644 N ARG E 38 2.522 -2.115 -19.714 1.00 0.00 N ATOM 1645 CA ARG E 38 1.362 -1.498 -19.011 1.00 0.00 C ATOM 1646 C ARG E 38 1.730 -0.082 -18.563 1.00 0.00 C ATOM 1647 O ARG E 38 2.883 0.300 -18.566 1.00 0.00 O ATOM 1648 CB ARG E 38 0.999 -2.343 -17.788 1.00 0.00 C ATOM 1649 CG ARG E 38 -0.449 -2.824 -17.911 1.00 0.00 C ATOM 1650 CD ARG E 38 -0.630 -3.574 -19.232 1.00 0.00 C ATOM 1651 NE ARG E 38 -1.482 -4.776 -19.009 1.00 0.00 N ATOM 1652 CZ ARG E 38 -1.637 -5.657 -19.962 1.00 0.00 C ATOM 1653 NH1 ARG E 38 -1.091 -5.458 -21.133 1.00 0.00 N ATOM 1654 NH2 ARG E 38 -2.336 -6.736 -19.744 1.00 0.00 N ATOM 0 H ARG E 38 2.910 -2.946 -19.267 1.00 0.00 H new ATOM 0 HA ARG E 38 0.509 -1.453 -19.688 1.00 0.00 H new ATOM 0 HB2 ARG E 38 1.672 -3.197 -17.710 1.00 0.00 H new ATOM 0 HB3 ARG E 38 1.122 -1.756 -16.878 1.00 0.00 H new ATOM 0 HG2 ARG E 38 -0.699 -3.476 -17.074 1.00 0.00 H new ATOM 0 HG3 ARG E 38 -1.130 -1.974 -17.867 1.00 0.00 H new ATOM 0 HD2 ARG E 38 -1.091 -2.921 -19.973 1.00 0.00 H new ATOM 0 HD3 ARG E 38 0.340 -3.872 -19.629 1.00 0.00 H new ATOM 0 HE ARG E 38 -1.945 -4.912 -18.110 1.00 0.00 H new ATOM 0 HH11 ARG E 38 -0.543 -4.615 -21.304 1.00 0.00 H new ATOM 0 HH12 ARG E 38 -1.213 -6.146 -21.876 1.00 0.00 H new ATOM 0 HH21 ARG E 38 -2.761 -6.892 -18.830 1.00 0.00 H new ATOM 0 HH22 ARG E 38 -2.457 -7.424 -20.487 1.00 0.00 H new ATOM 1668 N LYS E 39 0.758 0.701 -18.178 1.00 0.00 N ATOM 1669 CA LYS E 39 1.055 2.091 -17.730 1.00 0.00 C ATOM 1670 C LYS E 39 1.506 2.068 -16.273 1.00 0.00 C ATOM 1671 O LYS E 39 0.753 2.378 -15.370 1.00 0.00 O ATOM 1672 CB LYS E 39 -0.202 2.955 -17.866 1.00 0.00 C ATOM 1673 CG LYS E 39 -0.176 3.684 -19.212 1.00 0.00 C ATOM 1674 CD LYS E 39 0.100 2.680 -20.333 1.00 0.00 C ATOM 1675 CE LYS E 39 0.240 3.422 -21.663 1.00 0.00 C ATOM 1676 NZ LYS E 39 0.119 2.452 -22.787 1.00 0.00 N ATOM 0 H LYS E 39 -0.227 0.438 -18.155 1.00 0.00 H new ATOM 0 HA LYS E 39 1.848 2.511 -18.349 1.00 0.00 H new ATOM 0 HB2 LYS E 39 -1.094 2.332 -17.795 1.00 0.00 H new ATOM 0 HB3 LYS E 39 -0.251 3.676 -17.050 1.00 0.00 H new ATOM 0 HG2 LYS E 39 -1.129 4.185 -19.385 1.00 0.00 H new ATOM 0 HG3 LYS E 39 0.593 4.456 -19.204 1.00 0.00 H new ATOM 0 HD2 LYS E 39 1.011 2.122 -20.119 1.00 0.00 H new ATOM 0 HD3 LYS E 39 -0.711 1.955 -20.393 1.00 0.00 H new ATOM 0 HE2 LYS E 39 -0.529 4.190 -21.746 1.00 0.00 H new ATOM 0 HE3 LYS E 39 1.203 3.930 -21.709 1.00 0.00 H new ATOM 0 HZ1 LYS E 39 0.214 2.956 -23.692 1.00 0.00 H new ATOM 0 HZ2 LYS E 39 0.869 1.735 -22.709 1.00 0.00 H new ATOM 0 HZ3 LYS E 39 -0.810 1.987 -22.746 1.00 0.00 H new ATOM 1690 N ILE E 40 2.736 1.712 -16.041 1.00 0.00 N ATOM 1691 CA ILE E 40 3.249 1.677 -14.645 1.00 0.00 C ATOM 1692 C ILE E 40 4.261 2.806 -14.466 1.00 0.00 C ATOM 1693 O ILE E 40 5.422 2.677 -14.802 1.00 0.00 O ATOM 1694 CB ILE E 40 3.928 0.331 -14.369 1.00 0.00 C ATOM 1695 CG1 ILE E 40 3.089 -0.806 -14.960 1.00 0.00 C ATOM 1696 CG2 ILE E 40 4.063 0.129 -12.859 1.00 0.00 C ATOM 1697 CD1 ILE E 40 4.000 -1.762 -15.733 1.00 0.00 C ATOM 0 H ILE E 40 3.410 1.443 -16.758 1.00 0.00 H new ATOM 0 HA ILE E 40 2.421 1.802 -13.947 1.00 0.00 H new ATOM 0 HB ILE E 40 4.916 0.327 -14.830 1.00 0.00 H new ATOM 0 HG12 ILE E 40 2.572 -1.343 -14.164 1.00 0.00 H new ATOM 0 HG13 ILE E 40 2.323 -0.401 -15.622 1.00 0.00 H new ATOM 0 HG21 ILE E 40 4.546 -0.828 -12.662 1.00 0.00 H new ATOM 0 HG22 ILE E 40 4.665 0.933 -12.437 1.00 0.00 H new ATOM 0 HG23 ILE E 40 3.074 0.138 -12.401 1.00 0.00 H new ATOM 0 HD11 ILE E 40 3.404 -2.572 -16.154 1.00 0.00 H new ATOM 0 HD12 ILE E 40 4.497 -1.220 -16.538 1.00 0.00 H new ATOM 0 HD13 ILE E 40 4.749 -2.176 -15.058 1.00 0.00 H new ATOM 1709 N PHE E 41 3.825 3.918 -13.949 1.00 0.00 N ATOM 1710 CA PHE E 41 4.753 5.065 -13.757 1.00 0.00 C ATOM 1711 C PHE E 41 5.436 4.941 -12.394 1.00 0.00 C ATOM 1712 O PHE E 41 4.955 4.261 -11.510 1.00 0.00 O ATOM 1713 CB PHE E 41 3.950 6.365 -13.830 1.00 0.00 C ATOM 1714 CG PHE E 41 2.918 6.253 -14.935 1.00 0.00 C ATOM 1715 CD1 PHE E 41 3.161 5.426 -16.042 1.00 0.00 C ATOM 1716 CD2 PHE E 41 1.722 6.978 -14.857 1.00 0.00 C ATOM 1717 CE1 PHE E 41 2.211 5.326 -17.064 1.00 0.00 C ATOM 1718 CE2 PHE E 41 0.772 6.877 -15.880 1.00 0.00 C ATOM 1719 CZ PHE E 41 1.017 6.052 -16.985 1.00 0.00 C ATOM 0 H PHE E 41 2.864 4.083 -13.650 1.00 0.00 H new ATOM 0 HA PHE E 41 5.517 5.067 -14.534 1.00 0.00 H new ATOM 0 HB2 PHE E 41 3.459 6.557 -12.876 1.00 0.00 H new ATOM 0 HB3 PHE E 41 4.615 7.207 -14.021 1.00 0.00 H new ATOM 0 HD1 PHE E 41 4.082 4.866 -16.105 1.00 0.00 H new ATOM 0 HD2 PHE E 41 1.533 7.616 -14.006 1.00 0.00 H new ATOM 0 HE1 PHE E 41 2.399 4.688 -17.915 1.00 0.00 H new ATOM 0 HE2 PHE E 41 -0.150 7.435 -15.817 1.00 0.00 H new ATOM 0 HZ PHE E 41 0.285 5.976 -17.776 1.00 0.00 H new ATOM 1729 N LEU E 42 6.561 5.581 -12.216 1.00 0.00 N ATOM 1730 CA LEU E 42 7.269 5.478 -10.909 1.00 0.00 C ATOM 1731 C LEU E 42 7.457 6.871 -10.304 1.00 0.00 C ATOM 1732 O LEU E 42 8.219 7.675 -10.797 1.00 0.00 O ATOM 1733 CB LEU E 42 8.636 4.827 -11.122 1.00 0.00 C ATOM 1734 CG LEU E 42 8.751 3.575 -10.254 1.00 0.00 C ATOM 1735 CD1 LEU E 42 7.649 2.590 -10.633 1.00 0.00 C ATOM 1736 CD2 LEU E 42 10.112 2.922 -10.489 1.00 0.00 C ATOM 0 H LEU E 42 7.017 6.167 -12.915 1.00 0.00 H new ATOM 0 HA LEU E 42 6.674 4.870 -10.227 1.00 0.00 H new ATOM 0 HB2 LEU E 42 8.766 4.566 -12.172 1.00 0.00 H new ATOM 0 HB3 LEU E 42 9.428 5.531 -10.868 1.00 0.00 H new ATOM 0 HG LEU E 42 8.650 3.849 -9.204 1.00 0.00 H new ATOM 0 HD11 LEU E 42 7.731 1.697 -10.014 1.00 0.00 H new ATOM 0 HD12 LEU E 42 6.676 3.054 -10.474 1.00 0.00 H new ATOM 0 HD13 LEU E 42 7.752 2.315 -11.683 1.00 0.00 H new ATOM 0 HD21 LEU E 42 10.198 2.028 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU E 42 10.207 2.648 -11.540 1.00 0.00 H new ATOM 0 HD23 LEU E 42 10.903 3.624 -10.224 1.00 0.00 H new ATOM 1748 N THR E 43 6.775 7.156 -9.233 1.00 0.00 N ATOM 1749 CA THR E 43 6.922 8.491 -8.587 1.00 0.00 C ATOM 1750 C THR E 43 7.958 8.392 -7.466 1.00 0.00 C ATOM 1751 O THR E 43 7.631 8.116 -6.328 1.00 0.00 O ATOM 1752 CB THR E 43 5.577 8.931 -8.004 1.00 0.00 C ATOM 1753 OG1 THR E 43 4.642 9.117 -9.059 1.00 0.00 O ATOM 1754 CG2 THR E 43 5.755 10.243 -7.240 1.00 0.00 C ATOM 0 H THR E 43 6.120 6.522 -8.775 1.00 0.00 H new ATOM 0 HA THR E 43 7.248 9.222 -9.326 1.00 0.00 H new ATOM 0 HB THR E 43 5.208 8.164 -7.323 1.00 0.00 H new ATOM 0 HG1 THR E 43 3.841 8.579 -8.885 1.00 0.00 H new ATOM 0 HG21 THR E 43 4.797 10.555 -6.825 1.00 0.00 H new ATOM 0 HG22 THR E 43 6.471 10.099 -6.431 1.00 0.00 H new ATOM 0 HG23 THR E 43 6.125 11.012 -7.918 1.00 0.00 H new ATOM 1762 N ILE E 44 9.206 8.609 -7.779 1.00 0.00 N ATOM 1763 CA ILE E 44 10.264 8.519 -6.733 1.00 0.00 C ATOM 1764 C ILE E 44 10.353 9.847 -5.976 1.00 0.00 C ATOM 1765 O ILE E 44 10.948 10.799 -6.440 1.00 0.00 O ATOM 1766 CB ILE E 44 11.613 8.216 -7.394 1.00 0.00 C ATOM 1767 CG1 ILE E 44 11.417 7.192 -8.516 1.00 0.00 C ATOM 1768 CG2 ILE E 44 12.575 7.643 -6.352 1.00 0.00 C ATOM 1769 CD1 ILE E 44 11.936 7.770 -9.835 1.00 0.00 C ATOM 0 H ILE E 44 9.539 8.845 -8.714 1.00 0.00 H new ATOM 0 HA ILE E 44 10.014 7.721 -6.034 1.00 0.00 H new ATOM 0 HB ILE E 44 12.026 9.136 -7.808 1.00 0.00 H new ATOM 0 HG12 ILE E 44 11.947 6.270 -8.278 1.00 0.00 H new ATOM 0 HG13 ILE E 44 10.361 6.937 -8.609 1.00 0.00 H new ATOM 0 HG21 ILE E 44 13.534 7.427 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE E 44 12.718 8.368 -5.551 1.00 0.00 H new ATOM 0 HG23 ILE E 44 12.159 6.724 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE E 44 11.796 7.040 -10.632 1.00 0.00 H new ATOM 0 HD12 ILE E 44 11.386 8.680 -10.075 1.00 0.00 H new ATOM 0 HD13 ILE E 44 12.997 8.002 -9.738 1.00 0.00 H new ATOM 1781 N ASN E 45 9.762 9.919 -4.813 1.00 0.00 N ATOM 1782 CA ASN E 45 9.811 11.181 -4.027 1.00 0.00 C ATOM 1783 C ASN E 45 11.241 11.436 -3.552 1.00 0.00 C ATOM 1784 O ASN E 45 11.989 10.518 -3.262 1.00 0.00 O ATOM 1785 CB ASN E 45 8.884 11.072 -2.817 1.00 0.00 C ATOM 1786 CG ASN E 45 7.573 11.806 -3.104 1.00 0.00 C ATOM 1787 OD1 ASN E 45 7.473 12.541 -4.066 1.00 0.00 O ATOM 1788 ND2 ASN E 45 6.556 11.637 -2.303 1.00 0.00 N ATOM 0 H ASN E 45 9.247 9.155 -4.375 1.00 0.00 H new ATOM 0 HA ASN E 45 9.486 12.008 -4.658 1.00 0.00 H new ATOM 0 HB2 ASN E 45 8.684 10.024 -2.593 1.00 0.00 H new ATOM 0 HB3 ASN E 45 9.366 11.499 -1.938 1.00 0.00 H new ATOM 0 HD21 ASN E 45 5.677 12.122 -2.485 1.00 0.00 H new ATOM 0 HD22 ASN E 45 6.640 11.020 -1.495 1.00 0.00 H new ATOM 1795 N ALA E 46 11.613 12.684 -3.471 1.00 0.00 N ATOM 1796 CA ALA E 46 12.992 13.057 -3.026 1.00 0.00 C ATOM 1797 C ALA E 46 13.422 12.211 -1.825 1.00 0.00 C ATOM 1798 O ALA E 46 14.598 12.045 -1.568 1.00 0.00 O ATOM 1799 CB ALA E 46 13.013 14.534 -2.635 1.00 0.00 C ATOM 0 H ALA E 46 11.012 13.476 -3.698 1.00 0.00 H new ATOM 0 HA ALA E 46 13.685 12.875 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA E 46 14.016 14.810 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA E 46 12.730 15.142 -3.494 1.00 0.00 H new ATOM 0 HB3 ALA E 46 12.308 14.705 -1.821 1.00 0.00 H new ATOM 1805 N ASP E 47 12.493 11.673 -1.085 1.00 0.00 N ATOM 1806 CA ASP E 47 12.874 10.842 0.090 1.00 0.00 C ATOM 1807 C ASP E 47 13.137 9.406 -0.365 1.00 0.00 C ATOM 1808 O ASP E 47 12.860 8.459 0.346 1.00 0.00 O ATOM 1809 CB ASP E 47 11.733 10.852 1.112 1.00 0.00 C ATOM 1810 CG ASP E 47 12.267 11.314 2.469 1.00 0.00 C ATOM 1811 OD1 ASP E 47 12.842 12.389 2.521 1.00 0.00 O ATOM 1812 OD2 ASP E 47 12.089 10.587 3.431 1.00 0.00 O ATOM 0 H ASP E 47 11.490 11.772 -1.242 1.00 0.00 H new ATOM 0 HA ASP E 47 13.776 11.249 0.547 1.00 0.00 H new ATOM 0 HB2 ASP E 47 10.937 11.517 0.777 1.00 0.00 H new ATOM 0 HB3 ASP E 47 11.300 9.855 1.200 1.00 0.00 H new ATOM 1817 N GLY E 48 13.666 9.231 -1.547 1.00 0.00 N ATOM 1818 CA GLY E 48 13.936 7.855 -2.044 1.00 0.00 C ATOM 1819 C GLY E 48 12.683 7.007 -1.850 1.00 0.00 C ATOM 1820 O GLY E 48 12.752 5.808 -1.668 1.00 0.00 O ATOM 0 H GLY E 48 13.922 9.982 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY E 48 14.214 7.882 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY E 48 14.775 7.417 -1.504 1.00 0.00 H new ATOM 1824 N SER E 49 11.535 7.624 -1.884 1.00 0.00 N ATOM 1825 CA SER E 49 10.273 6.854 -1.696 1.00 0.00 C ATOM 1826 C SER E 49 9.748 6.389 -3.055 1.00 0.00 C ATOM 1827 O SER E 49 9.262 7.175 -3.842 1.00 0.00 O ATOM 1828 CB SER E 49 9.229 7.743 -1.021 1.00 0.00 C ATOM 1829 OG SER E 49 9.865 8.904 -0.503 1.00 0.00 O ATOM 0 H SER E 49 11.416 8.626 -2.033 1.00 0.00 H new ATOM 0 HA SER E 49 10.470 5.985 -1.069 1.00 0.00 H new ATOM 0 HB2 SER E 49 8.458 8.026 -1.737 1.00 0.00 H new ATOM 0 HB3 SER E 49 8.734 7.197 -0.218 1.00 0.00 H new ATOM 0 HG SER E 49 9.198 9.477 -0.071 1.00 0.00 H new ATOM 1835 N VAL E 50 9.835 5.121 -3.343 1.00 0.00 N ATOM 1836 CA VAL E 50 9.332 4.631 -4.656 1.00 0.00 C ATOM 1837 C VAL E 50 7.810 4.486 -4.595 1.00 0.00 C ATOM 1838 O VAL E 50 7.282 3.647 -3.893 1.00 0.00 O ATOM 1839 CB VAL E 50 9.962 3.276 -4.985 1.00 0.00 C ATOM 1840 CG1 VAL E 50 9.819 3.001 -6.482 1.00 0.00 C ATOM 1841 CG2 VAL E 50 11.446 3.298 -4.616 1.00 0.00 C ATOM 0 H VAL E 50 10.230 4.407 -2.731 1.00 0.00 H new ATOM 0 HA VAL E 50 9.601 5.347 -5.433 1.00 0.00 H new ATOM 0 HB VAL E 50 9.457 2.494 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL E 50 10.267 2.036 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL E 50 8.763 2.986 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL E 50 10.325 3.784 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL E 50 11.894 2.332 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL E 50 11.951 4.080 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL E 50 11.553 3.498 -3.550 1.00 0.00 H new ATOM 1851 N TYR E 51 7.102 5.301 -5.327 1.00 0.00 N ATOM 1852 CA TYR E 51 5.616 5.216 -5.320 1.00 0.00 C ATOM 1853 C TYR E 51 5.131 4.917 -6.737 1.00 0.00 C ATOM 1854 O TYR E 51 4.776 5.806 -7.483 1.00 0.00 O ATOM 1855 CB TYR E 51 5.028 6.549 -4.848 1.00 0.00 C ATOM 1856 CG TYR E 51 3.597 6.341 -4.412 1.00 0.00 C ATOM 1857 CD1 TYR E 51 3.313 5.544 -3.297 1.00 0.00 C ATOM 1858 CD2 TYR E 51 2.555 6.943 -5.127 1.00 0.00 C ATOM 1859 CE1 TYR E 51 1.987 5.349 -2.896 1.00 0.00 C ATOM 1860 CE2 TYR E 51 1.229 6.748 -4.725 1.00 0.00 C ATOM 1861 CZ TYR E 51 0.945 5.951 -3.610 1.00 0.00 C ATOM 1862 OH TYR E 51 -0.363 5.759 -3.215 1.00 0.00 O ATOM 0 H TYR E 51 7.491 6.025 -5.932 1.00 0.00 H new ATOM 0 HA TYR E 51 5.295 4.424 -4.644 1.00 0.00 H new ATOM 0 HB2 TYR E 51 5.617 6.946 -4.022 1.00 0.00 H new ATOM 0 HB3 TYR E 51 5.071 7.283 -5.652 1.00 0.00 H new ATOM 0 HD1 TYR E 51 4.118 5.080 -2.746 1.00 0.00 H new ATOM 0 HD2 TYR E 51 2.774 7.557 -5.988 1.00 0.00 H new ATOM 0 HE1 TYR E 51 1.768 4.734 -2.036 1.00 0.00 H new ATOM 0 HE2 TYR E 51 0.424 7.213 -5.275 1.00 0.00 H new ATOM 0 HH TYR E 51 -0.962 6.247 -3.818 1.00 0.00 H new ATOM 1872 N ALA E 52 5.123 3.668 -7.115 1.00 0.00 N ATOM 1873 CA ALA E 52 4.678 3.307 -8.489 1.00 0.00 C ATOM 1874 C ALA E 52 3.151 3.321 -8.563 1.00 0.00 C ATOM 1875 O ALA E 52 2.468 2.951 -7.629 1.00 0.00 O ATOM 1876 CB ALA E 52 5.195 1.909 -8.831 1.00 0.00 C ATOM 0 H ALA E 52 5.406 2.882 -6.530 1.00 0.00 H new ATOM 0 HA ALA E 52 5.074 4.031 -9.201 1.00 0.00 H new ATOM 0 HB1 ALA E 52 4.873 1.638 -9.836 1.00 0.00 H new ATOM 0 HB2 ALA E 52 6.284 1.902 -8.785 1.00 0.00 H new ATOM 0 HB3 ALA E 52 4.797 1.189 -8.116 1.00 0.00 H new ATOM 1882 N GLU E 53 2.610 3.750 -9.672 1.00 0.00 N ATOM 1883 CA GLU E 53 1.129 3.796 -9.814 1.00 0.00 C ATOM 1884 C GLU E 53 0.725 3.276 -11.190 1.00 0.00 C ATOM 1885 O GLU E 53 1.512 3.242 -12.117 1.00 0.00 O ATOM 1886 CB GLU E 53 0.648 5.241 -9.665 1.00 0.00 C ATOM 1887 CG GLU E 53 0.995 5.756 -8.269 1.00 0.00 C ATOM 1888 CD GLU E 53 1.485 7.202 -8.367 1.00 0.00 C ATOM 1889 OE1 GLU E 53 0.688 8.054 -8.726 1.00 0.00 O ATOM 1890 OE2 GLU E 53 2.648 7.434 -8.083 1.00 0.00 O ATOM 0 H GLU E 53 3.133 4.071 -10.487 1.00 0.00 H new ATOM 0 HA GLU E 53 0.677 3.173 -9.042 1.00 0.00 H new ATOM 0 HB2 GLU E 53 1.116 5.870 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU E 53 -0.429 5.295 -9.826 1.00 0.00 H new ATOM 0 HG2 GLU E 53 0.120 5.700 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU E 53 1.765 5.129 -7.819 1.00 0.00 H new ATOM 1897 N GLU E 54 -0.510 2.891 -11.330 1.00 0.00 N ATOM 1898 CA GLU E 54 -1.000 2.390 -12.640 1.00 0.00 C ATOM 1899 C GLU E 54 -2.056 3.367 -13.139 1.00 0.00 C ATOM 1900 O GLU E 54 -2.926 3.779 -12.397 1.00 0.00 O ATOM 1901 CB GLU E 54 -1.617 1.002 -12.471 1.00 0.00 C ATOM 1902 CG GLU E 54 -1.520 0.236 -13.793 1.00 0.00 C ATOM 1903 CD GLU E 54 -0.444 -0.844 -13.676 1.00 0.00 C ATOM 1904 OE1 GLU E 54 -0.246 -1.338 -12.578 1.00 0.00 O ATOM 1905 OE2 GLU E 54 0.163 -1.159 -14.686 1.00 0.00 O ATOM 0 H GLU E 54 -1.207 2.902 -10.586 1.00 0.00 H new ATOM 0 HA GLU E 54 -0.178 2.314 -13.352 1.00 0.00 H new ATOM 0 HB2 GLU E 54 -1.099 0.456 -11.683 1.00 0.00 H new ATOM 0 HB3 GLU E 54 -2.659 1.090 -12.165 1.00 0.00 H new ATOM 0 HG2 GLU E 54 -2.481 -0.217 -14.035 1.00 0.00 H new ATOM 0 HG3 GLU E 54 -1.277 0.920 -14.606 1.00 0.00 H new ATOM 1912 N VAL E 55 -1.981 3.765 -14.374 1.00 0.00 N ATOM 1913 CA VAL E 55 -2.978 4.741 -14.882 1.00 0.00 C ATOM 1914 C VAL E 55 -3.337 4.411 -16.328 1.00 0.00 C ATOM 1915 O VAL E 55 -2.565 4.631 -17.240 1.00 0.00 O ATOM 1916 CB VAL E 55 -2.404 6.161 -14.794 1.00 0.00 C ATOM 1917 CG1 VAL E 55 -3.443 7.076 -14.149 1.00 0.00 C ATOM 1918 CG2 VAL E 55 -1.133 6.168 -13.934 1.00 0.00 C ATOM 0 H VAL E 55 -1.279 3.460 -15.049 1.00 0.00 H new ATOM 0 HA VAL E 55 -3.880 4.683 -14.272 1.00 0.00 H new ATOM 0 HB VAL E 55 -2.159 6.510 -15.797 1.00 0.00 H new ATOM 0 HG11 VAL E 55 -3.045 8.088 -14.082 1.00 0.00 H new ATOM 0 HG12 VAL E 55 -4.349 7.082 -14.755 1.00 0.00 H new ATOM 0 HG13 VAL E 55 -3.678 6.711 -13.149 1.00 0.00 H new ATOM 0 HG21 VAL E 55 -0.736 7.182 -13.880 1.00 0.00 H new ATOM 0 HG22 VAL E 55 -1.371 5.817 -12.930 1.00 0.00 H new ATOM 0 HG23 VAL E 55 -0.388 5.510 -14.381 1.00 0.00 H new ATOM 1928 N LYS E 56 -4.507 3.878 -16.539 1.00 0.00 N ATOM 1929 CA LYS E 56 -4.932 3.522 -17.916 1.00 0.00 C ATOM 1930 C LYS E 56 -6.465 3.502 -17.973 1.00 0.00 C ATOM 1931 O LYS E 56 -7.110 3.048 -17.049 1.00 0.00 O ATOM 1932 CB LYS E 56 -4.373 2.138 -18.255 1.00 0.00 C ATOM 1933 CG LYS E 56 -5.061 1.576 -19.505 1.00 0.00 C ATOM 1934 CD LYS E 56 -4.082 1.611 -20.680 1.00 0.00 C ATOM 1935 CE LYS E 56 -4.608 0.721 -21.808 1.00 0.00 C ATOM 1936 NZ LYS E 56 -4.934 1.563 -22.995 1.00 0.00 N ATOM 0 H LYS E 56 -5.190 3.673 -15.810 1.00 0.00 H new ATOM 0 HA LYS E 56 -4.558 4.250 -18.635 1.00 0.00 H new ATOM 0 HB2 LYS E 56 -3.298 2.204 -18.422 1.00 0.00 H new ATOM 0 HB3 LYS E 56 -4.524 1.462 -17.414 1.00 0.00 H new ATOM 0 HG2 LYS E 56 -5.392 0.554 -19.323 1.00 0.00 H new ATOM 0 HG3 LYS E 56 -5.950 2.162 -19.740 1.00 0.00 H new ATOM 0 HD2 LYS E 56 -3.961 2.634 -21.036 1.00 0.00 H new ATOM 0 HD3 LYS E 56 -3.099 1.267 -20.359 1.00 0.00 H new ATOM 0 HE2 LYS E 56 -3.861 -0.027 -22.074 1.00 0.00 H new ATOM 0 HE3 LYS E 56 -5.495 0.182 -21.476 1.00 0.00 H new ATOM 0 HZ1 LYS E 56 -5.292 0.958 -23.762 1.00 0.00 H new ATOM 0 HZ2 LYS E 56 -5.661 2.261 -22.737 1.00 0.00 H new ATOM 0 HZ3 LYS E 56 -4.077 2.058 -23.315 1.00 0.00 H new ATOM 1950 N PRO E 57 -7.002 3.996 -19.059 1.00 0.00 N ATOM 1951 CA PRO E 57 -8.461 4.053 -19.265 1.00 0.00 C ATOM 1952 C PRO E 57 -9.010 2.673 -19.640 1.00 0.00 C ATOM 1953 O PRO E 57 -8.390 1.924 -20.371 1.00 0.00 O ATOM 1954 CB PRO E 57 -8.622 5.044 -20.422 1.00 0.00 C ATOM 1955 CG PRO E 57 -7.270 5.063 -21.172 1.00 0.00 C ATOM 1956 CD PRO E 57 -6.212 4.544 -20.182 1.00 0.00 C ATOM 0 HA PRO E 57 -9.007 4.357 -18.372 1.00 0.00 H new ATOM 0 HB2 PRO E 57 -9.430 4.738 -21.086 1.00 0.00 H new ATOM 0 HB3 PRO E 57 -8.874 6.037 -20.050 1.00 0.00 H new ATOM 0 HG2 PRO E 57 -7.311 4.434 -22.061 1.00 0.00 H new ATOM 0 HG3 PRO E 57 -7.026 6.071 -21.506 1.00 0.00 H new ATOM 0 HD2 PRO E 57 -5.583 3.779 -20.637 1.00 0.00 H new ATOM 0 HD3 PRO E 57 -5.551 5.345 -19.850 1.00 0.00 H new ATOM 1964 N PHE E 58 -10.170 2.332 -19.146 1.00 0.00 N ATOM 1965 CA PHE E 58 -10.763 1.005 -19.472 1.00 0.00 C ATOM 1966 C PHE E 58 -11.793 1.180 -20.601 1.00 0.00 C ATOM 1967 O PHE E 58 -12.199 2.286 -20.898 1.00 0.00 O ATOM 1968 CB PHE E 58 -11.419 0.421 -18.200 1.00 0.00 C ATOM 1969 CG PHE E 58 -12.918 0.639 -18.205 1.00 0.00 C ATOM 1970 CD1 PHE E 58 -13.439 1.934 -18.304 1.00 0.00 C ATOM 1971 CD2 PHE E 58 -13.784 -0.457 -18.111 1.00 0.00 C ATOM 1972 CE1 PHE E 58 -14.825 2.133 -18.309 1.00 0.00 C ATOM 1973 CE2 PHE E 58 -15.170 -0.259 -18.117 1.00 0.00 C ATOM 1974 CZ PHE E 58 -15.690 1.037 -18.215 1.00 0.00 C ATOM 0 H PHE E 58 -10.733 2.918 -18.529 1.00 0.00 H new ATOM 0 HA PHE E 58 -9.994 0.312 -19.812 1.00 0.00 H new ATOM 0 HB2 PHE E 58 -11.205 -0.646 -18.135 1.00 0.00 H new ATOM 0 HB3 PHE E 58 -10.984 0.888 -17.316 1.00 0.00 H new ATOM 0 HD1 PHE E 58 -12.772 2.780 -18.377 1.00 0.00 H new ATOM 0 HD2 PHE E 58 -13.382 -1.457 -18.034 1.00 0.00 H new ATOM 0 HE1 PHE E 58 -15.227 3.133 -18.385 1.00 0.00 H new ATOM 0 HE2 PHE E 58 -15.837 -1.105 -18.046 1.00 0.00 H new ATOM 0 HZ PHE E 58 -16.759 1.191 -18.218 1.00 0.00 H new ATOM 1984 N PRO E 59 -12.184 0.080 -21.195 1.00 0.00 N ATOM 1985 CA PRO E 59 -11.686 -1.258 -20.829 1.00 0.00 C ATOM 1986 C PRO E 59 -10.298 -1.493 -21.428 1.00 0.00 C ATOM 1987 O PRO E 59 -9.829 -0.731 -22.250 1.00 0.00 O ATOM 1988 CB PRO E 59 -12.714 -2.205 -21.452 1.00 0.00 C ATOM 1989 CG PRO E 59 -13.399 -1.416 -22.593 1.00 0.00 C ATOM 1990 CD PRO E 59 -13.169 0.078 -22.294 1.00 0.00 C ATOM 0 HA PRO E 59 -11.581 -1.397 -19.753 1.00 0.00 H new ATOM 0 HB2 PRO E 59 -12.231 -3.104 -21.836 1.00 0.00 H new ATOM 0 HB3 PRO E 59 -13.444 -2.528 -20.710 1.00 0.00 H new ATOM 0 HG2 PRO E 59 -12.976 -1.687 -23.560 1.00 0.00 H new ATOM 0 HG3 PRO E 59 -14.464 -1.643 -22.636 1.00 0.00 H new ATOM 0 HD2 PRO E 59 -12.790 0.606 -23.169 1.00 0.00 H new ATOM 0 HD3 PRO E 59 -14.095 0.572 -22.000 1.00 0.00 H new