USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 678 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= -0.448 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 140:sc= -0.217 USER MOD Single : A 9 SER OG : rot -176:sc= -1.93 USER MOD Single : A 14 TYR OH : rot 0:sc= -0.513 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0296 X(o=-0.03,f=-0.058) USER MOD Single : A 25 ASN : amide:sc= -1.65! C(o=-1.6!,f=-1.8!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -1.03 K(o=-1,f=-0.016) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00102 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 6:sc= 0.0662 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0.0115 K(o=0.011,f=-0.91) USER MOD Single : A 61 ASN : amide:sc= 0.451 K(o=0.45,f=-15!) USER MOD Single : A 64 THR OG1 : rot -135:sc= 0.477 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.2!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.539 K(o=0.54,f=-4.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.904 1.253 13.166 1.00 0.00 N ATOM 2 CA GLY A 1 -7.971 2.228 13.315 1.00 0.00 C ATOM 3 C GLY A 1 -8.967 2.133 12.157 1.00 0.00 C ATOM 4 O GLY A 1 -9.704 1.154 12.046 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.242 1.338 13.964 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.309 0.295 13.152 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.396 1.427 12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.489 2.063 14.260 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.548 3.232 13.354 1.00 0.00 H new ATOM 8 N SER A 2 -8.957 3.163 11.324 1.00 0.00 N ATOM 9 CA SER A 2 -9.850 3.208 10.179 1.00 0.00 C ATOM 10 C SER A 2 -9.113 2.740 8.922 1.00 0.00 C ATOM 11 O SER A 2 -8.163 3.385 8.480 1.00 0.00 O ATOM 12 CB SER A 2 -10.410 4.616 9.973 1.00 0.00 C ATOM 13 OG SER A 2 -11.805 4.683 10.257 1.00 0.00 O ATOM 0 H SER A 2 -8.344 3.973 11.419 1.00 0.00 H new ATOM 0 HA SER A 2 -10.688 2.538 10.372 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.875 5.316 10.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.234 4.929 8.944 1.00 0.00 H new ATOM 0 HG SER A 2 -12.091 5.620 10.271 1.00 0.00 H new ATOM 19 N SER A 3 -9.578 1.623 8.383 1.00 0.00 N ATOM 20 CA SER A 3 -8.975 1.063 7.186 1.00 0.00 C ATOM 21 C SER A 3 -9.726 1.548 5.944 1.00 0.00 C ATOM 22 O SER A 3 -9.152 2.222 5.091 1.00 0.00 O ATOM 23 CB SER A 3 -8.968 -0.466 7.237 1.00 0.00 C ATOM 24 OG SER A 3 -7.649 -0.998 7.136 1.00 0.00 O ATOM 0 H SER A 3 -10.365 1.091 8.753 1.00 0.00 H new ATOM 0 HA SER A 3 -7.941 1.404 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.423 -0.800 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.580 -0.859 6.425 1.00 0.00 H new ATOM 0 HG SER A 3 -7.687 -1.977 7.174 1.00 0.00 H new ATOM 30 N GLY A 4 -11.000 1.186 5.884 1.00 0.00 N ATOM 31 CA GLY A 4 -11.836 1.576 4.761 1.00 0.00 C ATOM 32 C GLY A 4 -12.143 3.075 4.801 1.00 0.00 C ATOM 33 O GLY A 4 -11.760 3.815 3.895 1.00 0.00 O ATOM 0 H GLY A 4 -11.473 0.627 6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.334 1.329 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.767 1.010 4.782 1.00 0.00 H new ATOM 37 N SER A 5 -12.829 3.478 5.860 1.00 0.00 N ATOM 38 CA SER A 5 -13.192 4.875 6.029 1.00 0.00 C ATOM 39 C SER A 5 -12.037 5.773 5.583 1.00 0.00 C ATOM 40 O SER A 5 -12.246 6.746 4.860 1.00 0.00 O ATOM 41 CB SER A 5 -13.567 5.174 7.482 1.00 0.00 C ATOM 42 OG SER A 5 -14.086 6.492 7.639 1.00 0.00 O ATOM 0 H SER A 5 -13.143 2.862 6.610 1.00 0.00 H new ATOM 0 HA SER A 5 -14.064 5.080 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.308 4.450 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.688 5.052 8.116 1.00 0.00 H new ATOM 0 HG SER A 5 -14.315 6.644 8.580 1.00 0.00 H new ATOM 48 N SER A 6 -10.843 5.415 6.033 1.00 0.00 N ATOM 49 CA SER A 6 -9.654 6.177 5.690 1.00 0.00 C ATOM 50 C SER A 6 -9.535 6.303 4.170 1.00 0.00 C ATOM 51 O SER A 6 -9.445 7.409 3.640 1.00 0.00 O ATOM 52 CB SER A 6 -8.397 5.526 6.269 1.00 0.00 C ATOM 53 OG SER A 6 -7.243 6.345 6.095 1.00 0.00 O ATOM 0 H SER A 6 -10.674 4.607 6.632 1.00 0.00 H new ATOM 0 HA SER A 6 -9.748 7.172 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.546 5.331 7.331 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.233 4.562 5.787 1.00 0.00 H new ATOM 0 HG SER A 6 -6.689 6.306 6.903 1.00 0.00 H new ATOM 59 N GLY A 7 -9.538 5.154 3.510 1.00 0.00 N ATOM 60 CA GLY A 7 -9.432 5.122 2.061 1.00 0.00 C ATOM 61 C GLY A 7 -10.356 6.159 1.421 1.00 0.00 C ATOM 62 O GLY A 7 -10.012 6.756 0.401 1.00 0.00 O ATOM 0 H GLY A 7 -9.612 4.238 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.401 5.315 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.688 4.127 1.696 1.00 0.00 H new ATOM 66 N ALA A 8 -11.510 6.342 2.045 1.00 0.00 N ATOM 67 CA ALA A 8 -12.486 7.298 1.548 1.00 0.00 C ATOM 68 C ALA A 8 -12.062 8.711 1.954 1.00 0.00 C ATOM 69 O ALA A 8 -12.286 9.667 1.212 1.00 0.00 O ATOM 70 CB ALA A 8 -13.874 6.931 2.076 1.00 0.00 C ATOM 0 H ALA A 8 -11.792 5.845 2.890 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.533 7.268 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.606 7.648 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.140 5.930 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.866 6.953 3.166 1.00 0.00 H new ATOM 76 N SER A 9 -11.458 8.798 3.129 1.00 0.00 N ATOM 77 CA SER A 9 -11.001 10.079 3.642 1.00 0.00 C ATOM 78 C SER A 9 -9.827 10.589 2.805 1.00 0.00 C ATOM 79 O SER A 9 -9.658 11.796 2.636 1.00 0.00 O ATOM 80 CB SER A 9 -10.595 9.970 5.113 1.00 0.00 C ATOM 81 OG SER A 9 -11.168 8.826 5.742 1.00 0.00 O ATOM 0 H SER A 9 -11.274 8.003 3.741 1.00 0.00 H new ATOM 0 HA SER A 9 -11.825 10.789 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.509 9.918 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.908 10.870 5.643 1.00 0.00 H new ATOM 0 HG SER A 9 -10.936 8.826 6.694 1.00 0.00 H new ATOM 87 N LEU A 10 -9.045 9.645 2.302 1.00 0.00 N ATOM 88 CA LEU A 10 -7.892 9.984 1.486 1.00 0.00 C ATOM 89 C LEU A 10 -8.331 10.908 0.348 1.00 0.00 C ATOM 90 O LEU A 10 -7.524 11.666 -0.188 1.00 0.00 O ATOM 91 CB LEU A 10 -7.181 8.716 1.008 1.00 0.00 C ATOM 92 CG LEU A 10 -6.620 7.808 2.105 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.175 6.463 1.529 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.493 8.505 2.870 1.00 0.00 C ATOM 0 H LEU A 10 -9.188 8.645 2.444 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.157 10.531 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.881 8.136 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.362 9.008 0.351 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.417 7.604 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.780 5.837 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.027 5.966 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.400 6.626 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.112 7.838 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.688 8.758 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.875 9.415 3.332 1.00 0.00 H new ATOM 106 N LEU A 11 -9.610 10.814 0.012 1.00 0.00 N ATOM 107 CA LEU A 11 -10.166 11.632 -1.052 1.00 0.00 C ATOM 108 C LEU A 11 -10.236 13.088 -0.587 1.00 0.00 C ATOM 109 O LEU A 11 -10.200 14.006 -1.404 1.00 0.00 O ATOM 110 CB LEU A 11 -11.512 11.068 -1.513 1.00 0.00 C ATOM 111 CG LEU A 11 -11.461 9.727 -2.247 1.00 0.00 C ATOM 112 CD1 LEU A 11 -11.245 9.931 -3.748 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.402 8.807 -1.636 1.00 0.00 C ATOM 0 H LEU A 11 -10.276 10.184 0.458 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.519 11.608 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.155 10.958 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.985 11.800 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.425 9.234 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.213 8.962 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.065 10.522 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.303 10.455 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.387 7.861 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.423 9.281 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.641 8.623 -0.589 1.00 0.00 H new ATOM 125 N ALA A 12 -10.336 13.253 0.724 1.00 0.00 N ATOM 126 CA ALA A 12 -10.411 14.581 1.307 1.00 0.00 C ATOM 127 C ALA A 12 -9.052 14.948 1.906 1.00 0.00 C ATOM 128 O ALA A 12 -8.614 16.093 1.805 1.00 0.00 O ATOM 129 CB ALA A 12 -11.535 14.620 2.345 1.00 0.00 C ATOM 0 H ALA A 12 -10.367 12.489 1.399 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.646 15.323 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.592 15.617 2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.483 14.381 1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.332 13.890 3.129 1.00 0.00 H new ATOM 135 N ARG A 13 -8.422 13.955 2.517 1.00 0.00 N ATOM 136 CA ARG A 13 -7.122 14.160 3.132 1.00 0.00 C ATOM 137 C ARG A 13 -6.146 14.766 2.122 1.00 0.00 C ATOM 138 O ARG A 13 -5.568 15.824 2.369 1.00 0.00 O ATOM 139 CB ARG A 13 -6.548 12.842 3.657 1.00 0.00 C ATOM 140 CG ARG A 13 -6.333 12.902 5.171 1.00 0.00 C ATOM 141 CD ARG A 13 -5.954 11.528 5.726 1.00 0.00 C ATOM 142 NE ARG A 13 -6.489 11.370 7.097 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.994 10.517 8.003 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.949 9.738 7.689 1.00 0.00 N ATOM 145 NH2 ARG A 13 -6.543 10.441 9.223 1.00 0.00 N ATOM 0 H ARG A 13 -8.788 13.006 2.599 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.256 14.845 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.226 12.024 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.602 12.630 3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.547 13.621 5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.242 13.256 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.349 10.744 5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.870 11.417 5.735 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.285 11.947 7.369 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.531 9.795 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.572 9.088 8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.338 11.033 9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.165 9.791 9.913 1.00 0.00 H new ATOM 159 N TYR A 14 -5.993 14.071 1.004 1.00 0.00 N ATOM 160 CA TYR A 14 -5.097 14.528 -0.044 1.00 0.00 C ATOM 161 C TYR A 14 -5.884 15.035 -1.255 1.00 0.00 C ATOM 162 O TYR A 14 -7.068 14.737 -1.399 1.00 0.00 O ATOM 163 CB TYR A 14 -4.276 13.306 -0.460 1.00 0.00 C ATOM 164 CG TYR A 14 -3.390 12.743 0.653 1.00 0.00 C ATOM 165 CD1 TYR A 14 -3.927 11.891 1.598 1.00 0.00 C ATOM 166 CD2 TYR A 14 -2.055 13.087 0.713 1.00 0.00 C ATOM 167 CE1 TYR A 14 -3.093 11.362 2.645 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.222 12.557 1.761 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.782 11.721 2.676 1.00 0.00 C ATOM 170 OH TYR A 14 -0.995 11.220 3.665 1.00 0.00 O ATOM 0 H TYR A 14 -6.475 13.195 0.802 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.474 15.348 0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.955 12.524 -0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.648 13.575 -1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.972 11.622 1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.635 13.754 -0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.500 10.694 3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.176 12.818 1.819 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.529 10.637 4.244 1.00 0.00 H new ATOM 180 N PRO A 15 -5.175 15.813 -2.116 1.00 0.00 N ATOM 181 CA PRO A 15 -5.794 16.365 -3.309 1.00 0.00 C ATOM 182 C PRO A 15 -5.977 15.287 -4.380 1.00 0.00 C ATOM 183 O PRO A 15 -5.486 14.169 -4.231 1.00 0.00 O ATOM 184 CB PRO A 15 -4.869 17.487 -3.750 1.00 0.00 C ATOM 185 CG PRO A 15 -3.538 17.224 -3.065 1.00 0.00 C ATOM 186 CD PRO A 15 -3.770 16.188 -1.977 1.00 0.00 C ATOM 0 HA PRO A 15 -6.799 16.745 -3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.755 17.496 -4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.270 18.459 -3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.803 16.864 -3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.140 18.144 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.115 15.326 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.566 16.599 -0.988 1.00 0.00 H new ATOM 194 N PRO A 16 -6.703 15.671 -5.464 1.00 0.00 N ATOM 195 CA PRO A 16 -6.958 14.750 -6.559 1.00 0.00 C ATOM 196 C PRO A 16 -5.707 14.564 -7.420 1.00 0.00 C ATOM 197 O PRO A 16 -5.546 13.534 -8.073 1.00 0.00 O ATOM 198 CB PRO A 16 -8.120 15.360 -7.324 1.00 0.00 C ATOM 199 CG PRO A 16 -8.171 16.822 -6.909 1.00 0.00 C ATOM 200 CD PRO A 16 -7.300 16.986 -5.674 1.00 0.00 C ATOM 0 HA PRO A 16 -7.209 13.746 -6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.973 15.264 -8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.055 14.853 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.813 17.461 -7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.197 17.123 -6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.536 17.748 -5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.890 17.295 -4.811 1.00 0.00 H new ATOM 208 N GLU A 17 -4.852 15.576 -7.393 1.00 0.00 N ATOM 209 CA GLU A 17 -3.621 15.537 -8.163 1.00 0.00 C ATOM 210 C GLU A 17 -2.565 14.703 -7.433 1.00 0.00 C ATOM 211 O GLU A 17 -1.468 14.496 -7.949 1.00 0.00 O ATOM 212 CB GLU A 17 -3.105 16.949 -8.445 1.00 0.00 C ATOM 213 CG GLU A 17 -2.825 17.701 -7.142 1.00 0.00 C ATOM 214 CD GLU A 17 -1.791 18.808 -7.359 1.00 0.00 C ATOM 215 OE1 GLU A 17 -0.970 18.643 -8.287 1.00 0.00 O ATOM 216 OE2 GLU A 17 -1.846 19.794 -6.593 1.00 0.00 O ATOM 0 H GLU A 17 -4.988 16.428 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.831 15.064 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.194 16.895 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.839 17.497 -9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.751 18.133 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.463 17.004 -6.386 1.00 0.00 H new ATOM 223 N LYS A 18 -2.934 14.248 -6.245 1.00 0.00 N ATOM 224 CA LYS A 18 -2.033 13.441 -5.440 1.00 0.00 C ATOM 225 C LYS A 18 -2.776 12.203 -4.935 1.00 0.00 C ATOM 226 O LYS A 18 -2.274 11.481 -4.075 1.00 0.00 O ATOM 227 CB LYS A 18 -1.412 14.284 -4.324 1.00 0.00 C ATOM 228 CG LYS A 18 -0.474 15.348 -4.897 1.00 0.00 C ATOM 229 CD LYS A 18 0.571 15.772 -3.864 1.00 0.00 C ATOM 230 CE LYS A 18 1.469 16.881 -4.415 1.00 0.00 C ATOM 231 NZ LYS A 18 2.894 16.495 -4.311 1.00 0.00 N ATOM 0 H LYS A 18 -3.845 14.423 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.197 13.087 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.201 14.764 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.861 13.639 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.024 14.958 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.053 16.217 -5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.073 16.119 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.180 14.912 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.215 17.079 -5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.295 17.805 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.489 17.259 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.137 16.329 -3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.059 15.625 -4.857 1.00 0.00 H new ATOM 245 N LEU A 19 -3.961 11.997 -5.490 1.00 0.00 N ATOM 246 CA LEU A 19 -4.779 10.858 -5.106 1.00 0.00 C ATOM 247 C LEU A 19 -4.574 9.726 -6.113 1.00 0.00 C ATOM 248 O LEU A 19 -4.986 9.834 -7.267 1.00 0.00 O ATOM 249 CB LEU A 19 -6.241 11.280 -4.944 1.00 0.00 C ATOM 250 CG LEU A 19 -6.671 11.681 -3.531 1.00 0.00 C ATOM 251 CD1 LEU A 19 -7.998 12.441 -3.557 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.726 10.462 -2.608 1.00 0.00 C ATOM 0 H LEU A 19 -4.375 12.599 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.471 10.478 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.432 12.119 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.875 10.457 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.920 12.359 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.281 12.714 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.889 13.344 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.772 11.808 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.034 10.775 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.443 9.741 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.740 10.001 -2.555 1.00 0.00 H new ATOM 264 N PHE A 20 -3.936 8.664 -5.641 1.00 0.00 N ATOM 265 CA PHE A 20 -3.671 7.513 -6.486 1.00 0.00 C ATOM 266 C PHE A 20 -4.151 6.222 -5.820 1.00 0.00 C ATOM 267 O PHE A 20 -4.033 6.064 -4.606 1.00 0.00 O ATOM 268 CB PHE A 20 -2.155 7.439 -6.679 1.00 0.00 C ATOM 269 CG PHE A 20 -1.585 8.554 -7.558 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.256 9.753 -7.006 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.408 8.347 -8.890 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.727 10.788 -7.822 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.879 9.382 -9.706 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.550 10.581 -9.154 1.00 0.00 C ATOM 0 H PHE A 20 -3.595 8.577 -4.684 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.198 7.619 -7.434 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.672 7.477 -5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.902 6.476 -7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.397 9.918 -5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.670 7.395 -9.328 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.465 11.740 -7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.738 9.217 -10.764 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.148 11.369 -9.774 1.00 0.00 H new ATOM 284 N GLN A 21 -4.684 5.331 -6.644 1.00 0.00 N ATOM 285 CA GLN A 21 -5.182 4.059 -6.150 1.00 0.00 C ATOM 286 C GLN A 21 -4.194 2.938 -6.478 1.00 0.00 C ATOM 287 O GLN A 21 -3.288 3.122 -7.289 1.00 0.00 O ATOM 288 CB GLN A 21 -6.568 3.753 -6.723 1.00 0.00 C ATOM 289 CG GLN A 21 -7.397 2.925 -5.739 1.00 0.00 C ATOM 290 CD GLN A 21 -8.881 2.957 -6.111 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.258 2.906 -7.270 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.699 3.044 -5.066 1.00 0.00 N ATOM 0 H GLN A 21 -4.782 5.465 -7.650 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.279 4.125 -5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.087 4.685 -6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.465 3.211 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.041 1.895 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.263 3.312 -4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.317 3.083 -4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.708 3.072 -5.209 1.00 0.00 H new ATOM 301 N ALA A 22 -4.402 1.801 -5.830 1.00 0.00 N ATOM 302 CA ALA A 22 -3.540 0.650 -6.043 1.00 0.00 C ATOM 303 C ALA A 22 -4.014 -0.114 -7.281 1.00 0.00 C ATOM 304 O ALA A 22 -5.135 -0.620 -7.311 1.00 0.00 O ATOM 305 CB ALA A 22 -3.534 -0.222 -4.786 1.00 0.00 C ATOM 0 H ALA A 22 -5.154 1.652 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.513 0.967 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.888 -1.085 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.162 0.359 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.548 -0.562 -4.574 1.00 0.00 H new ATOM 311 N GLU A 23 -3.136 -0.174 -8.272 1.00 0.00 N ATOM 312 CA GLU A 23 -3.451 -0.868 -9.509 1.00 0.00 C ATOM 313 C GLU A 23 -3.652 -2.362 -9.243 1.00 0.00 C ATOM 314 O GLU A 23 -4.553 -2.980 -9.808 1.00 0.00 O ATOM 315 CB GLU A 23 -2.361 -0.640 -10.558 1.00 0.00 C ATOM 316 CG GLU A 23 -2.408 0.791 -11.096 1.00 0.00 C ATOM 317 CD GLU A 23 -2.845 0.811 -12.562 1.00 0.00 C ATOM 318 OE1 GLU A 23 -1.944 0.726 -13.424 1.00 0.00 O ATOM 319 OE2 GLU A 23 -4.071 0.911 -12.788 1.00 0.00 O ATOM 0 H GLU A 23 -2.207 0.247 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.381 -0.461 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.383 -0.835 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.488 -1.345 -11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.099 1.385 -10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.425 1.252 -10.999 1.00 0.00 H new ATOM 326 N ARG A 24 -2.799 -2.898 -8.383 1.00 0.00 N ATOM 327 CA ARG A 24 -2.872 -4.306 -8.036 1.00 0.00 C ATOM 328 C ARG A 24 -2.488 -4.512 -6.569 1.00 0.00 C ATOM 329 O ARG A 24 -2.017 -3.586 -5.911 1.00 0.00 O ATOM 330 CB ARG A 24 -1.944 -5.141 -8.921 1.00 0.00 C ATOM 331 CG ARG A 24 -0.554 -4.508 -9.008 1.00 0.00 C ATOM 332 CD ARG A 24 0.479 -5.520 -9.508 1.00 0.00 C ATOM 333 NE ARG A 24 1.491 -4.838 -10.345 1.00 0.00 N ATOM 334 CZ ARG A 24 2.422 -5.475 -11.068 1.00 0.00 C ATOM 335 NH1 ARG A 24 2.474 -6.814 -11.061 1.00 0.00 N ATOM 336 NH2 ARG A 24 3.300 -4.775 -11.798 1.00 0.00 N ATOM 0 H ARG A 24 -2.053 -2.382 -7.916 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.899 -4.634 -8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.863 -6.151 -8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.371 -5.229 -9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.583 -3.650 -9.680 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.258 -4.135 -8.027 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.963 -6.006 -8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.015 -6.302 -10.085 1.00 0.00 H new ATOM 0 HE ARG A 24 1.479 -3.818 -10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.805 -7.347 -10.506 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.182 -7.300 -11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.260 -3.756 -11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.008 -5.261 -12.348 1.00 0.00 H new ATOM 350 N ASN A 25 -2.703 -5.733 -6.100 1.00 0.00 N ATOM 351 CA ASN A 25 -2.385 -6.072 -4.723 1.00 0.00 C ATOM 352 C ASN A 25 -0.870 -6.006 -4.523 1.00 0.00 C ATOM 353 O ASN A 25 -0.160 -6.970 -4.807 1.00 0.00 O ATOM 354 CB ASN A 25 -2.845 -7.491 -4.385 1.00 0.00 C ATOM 355 CG ASN A 25 -4.181 -7.810 -5.060 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.245 -8.220 -6.207 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.242 -7.599 -4.285 1.00 0.00 N ATOM 0 H ASN A 25 -3.093 -6.499 -6.649 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.898 -5.362 -4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.090 -8.208 -4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.945 -7.597 -3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.179 -7.782 -4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.118 -7.254 -3.333 1.00 0.00 H new ATOM 364 N PHE A 26 -0.418 -4.859 -4.036 1.00 0.00 N ATOM 365 CA PHE A 26 1.000 -4.655 -3.794 1.00 0.00 C ATOM 366 C PHE A 26 1.453 -5.393 -2.533 1.00 0.00 C ATOM 367 O PHE A 26 0.741 -5.412 -1.531 1.00 0.00 O ATOM 368 CB PHE A 26 1.208 -3.153 -3.594 1.00 0.00 C ATOM 369 CG PHE A 26 2.664 -2.753 -3.346 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.221 -2.940 -2.120 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.401 -2.211 -4.353 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.572 -2.570 -1.890 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.752 -1.841 -4.123 1.00 0.00 C ATOM 374 CZ PHE A 26 5.309 -2.028 -2.896 1.00 0.00 C ATOM 0 H PHE A 26 -1.009 -4.061 -3.803 1.00 0.00 H new ATOM 0 HA PHE A 26 1.579 -5.038 -4.634 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.842 -2.626 -4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.602 -2.822 -2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.635 -3.370 -1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.958 -2.062 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.014 -2.719 -0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.338 -1.411 -4.922 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.337 -1.746 -2.721 1.00 0.00 H new ATOM 384 N ASN A 27 2.636 -5.983 -2.625 1.00 0.00 N ATOM 385 CA ASN A 27 3.193 -6.721 -1.504 1.00 0.00 C ATOM 386 C ASN A 27 4.488 -6.046 -1.047 1.00 0.00 C ATOM 387 O ASN A 27 5.363 -5.758 -1.862 1.00 0.00 O ATOM 388 CB ASN A 27 3.525 -8.160 -1.902 1.00 0.00 C ATOM 389 CG ASN A 27 3.135 -9.140 -0.793 1.00 0.00 C ATOM 390 OD1 ASN A 27 3.936 -9.523 0.043 1.00 0.00 O ATOM 391 ND2 ASN A 27 1.862 -9.523 -0.834 1.00 0.00 N ATOM 0 H ASN A 27 3.224 -5.965 -3.458 1.00 0.00 H new ATOM 0 HA ASN A 27 2.452 -6.730 -0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.999 -8.417 -2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.591 -8.247 -2.110 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.503 -10.176 -0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.244 -9.164 -1.562 1.00 0.00 H new ATOM 398 N ALA A 28 4.569 -5.812 0.255 1.00 0.00 N ATOM 399 CA ALA A 28 5.742 -5.176 0.829 1.00 0.00 C ATOM 400 C ALA A 28 6.968 -6.057 0.578 1.00 0.00 C ATOM 401 O ALA A 28 6.956 -7.247 0.888 1.00 0.00 O ATOM 402 CB ALA A 28 5.505 -4.918 2.318 1.00 0.00 C ATOM 0 H ALA A 28 3.841 -6.052 0.928 1.00 0.00 H new ATOM 0 HA ALA A 28 5.926 -4.211 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.385 -4.441 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.641 -4.265 2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.320 -5.864 2.826 1.00 0.00 H new ATOM 408 N ALA A 29 7.998 -5.437 0.020 1.00 0.00 N ATOM 409 CA ALA A 29 9.229 -6.149 -0.276 1.00 0.00 C ATOM 410 C ALA A 29 10.312 -5.721 0.717 1.00 0.00 C ATOM 411 O ALA A 29 11.022 -6.562 1.267 1.00 0.00 O ATOM 412 CB ALA A 29 9.634 -5.887 -1.728 1.00 0.00 C ATOM 0 H ALA A 29 8.005 -4.449 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 29 9.086 -7.224 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.558 -6.421 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.845 -6.235 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.789 -4.818 -1.875 1.00 0.00 H new ATOM 418 N GLN A 30 10.404 -4.414 0.917 1.00 0.00 N ATOM 419 CA GLN A 30 11.388 -3.865 1.834 1.00 0.00 C ATOM 420 C GLN A 30 10.725 -3.487 3.160 1.00 0.00 C ATOM 421 O GLN A 30 9.527 -3.699 3.341 1.00 0.00 O ATOM 422 CB GLN A 30 12.102 -2.662 1.215 1.00 0.00 C ATOM 423 CG GLN A 30 13.165 -3.112 0.211 1.00 0.00 C ATOM 424 CD GLN A 30 13.707 -1.922 -0.584 1.00 0.00 C ATOM 425 OE1 GLN A 30 14.899 -1.663 -0.628 1.00 0.00 O ATOM 426 NE2 GLN A 30 12.769 -1.216 -1.208 1.00 0.00 N ATOM 0 H GLN A 30 9.813 -3.720 0.460 1.00 0.00 H new ATOM 0 HA GLN A 30 12.139 -4.630 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.375 -2.020 0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.568 -2.067 2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.982 -3.605 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.738 -3.846 -0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.789 -1.488 -1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.029 -0.403 -1.766 1.00 0.00 H new ATOM 435 N ASP A 31 11.532 -2.933 4.052 1.00 0.00 N ATOM 436 CA ASP A 31 11.039 -2.523 5.356 1.00 0.00 C ATOM 437 C ASP A 31 10.323 -1.177 5.225 1.00 0.00 C ATOM 438 O ASP A 31 9.619 -0.753 6.140 1.00 0.00 O ATOM 439 CB ASP A 31 12.188 -2.353 6.351 1.00 0.00 C ATOM 440 CG ASP A 31 12.527 -3.601 7.167 1.00 0.00 C ATOM 441 OD1 ASP A 31 11.873 -3.789 8.216 1.00 0.00 O ATOM 442 OD2 ASP A 31 13.433 -4.341 6.724 1.00 0.00 O ATOM 0 H ASP A 31 12.525 -2.758 3.898 1.00 0.00 H new ATOM 0 HA ASP A 31 10.360 -3.295 5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.078 -2.042 5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.937 -1.545 7.038 1.00 0.00 H new ATOM 447 N LEU A 32 10.528 -0.543 4.080 1.00 0.00 N ATOM 448 CA LEU A 32 9.911 0.746 3.818 1.00 0.00 C ATOM 449 C LEU A 32 8.586 0.533 3.083 1.00 0.00 C ATOM 450 O LEU A 32 7.656 1.325 3.228 1.00 0.00 O ATOM 451 CB LEU A 32 10.884 1.666 3.077 1.00 0.00 C ATOM 452 CG LEU A 32 12.120 2.107 3.863 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.990 3.052 3.032 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.725 2.724 5.206 1.00 0.00 C ATOM 0 H LEU A 32 11.113 -0.898 3.323 1.00 0.00 H new ATOM 0 HA LEU A 32 9.679 1.254 4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.216 1.158 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.341 2.557 2.761 1.00 0.00 H new ATOM 0 HG LEU A 32 12.720 1.223 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.862 3.350 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.316 2.543 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.413 3.937 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.622 3.029 5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.092 3.594 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.179 1.989 5.798 1.00 0.00 H new ATOM 466 N ASP A 33 8.542 -0.542 2.309 1.00 0.00 N ATOM 467 CA ASP A 33 7.346 -0.870 1.551 1.00 0.00 C ATOM 468 C ASP A 33 6.229 -1.270 2.516 1.00 0.00 C ATOM 469 O ASP A 33 6.486 -1.551 3.686 1.00 0.00 O ATOM 470 CB ASP A 33 7.599 -2.046 0.606 1.00 0.00 C ATOM 471 CG ASP A 33 8.542 -1.747 -0.561 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.516 -1.000 -0.326 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.268 -2.272 -1.662 1.00 0.00 O ATOM 0 H ASP A 33 9.315 -1.197 2.191 1.00 0.00 H new ATOM 0 HA ASP A 33 7.065 0.007 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.011 -2.874 1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.643 -2.382 0.204 1.00 0.00 H new ATOM 478 N VAL A 34 5.013 -1.284 1.991 1.00 0.00 N ATOM 479 CA VAL A 34 3.856 -1.646 2.791 1.00 0.00 C ATOM 480 C VAL A 34 2.784 -2.255 1.885 1.00 0.00 C ATOM 481 O VAL A 34 2.436 -1.679 0.856 1.00 0.00 O ATOM 482 CB VAL A 34 3.357 -0.427 3.571 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.525 0.459 4.008 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.340 0.369 2.751 1.00 0.00 C ATOM 0 H VAL A 34 4.804 -1.050 1.020 1.00 0.00 H new ATOM 0 HA VAL A 34 4.124 -2.401 3.530 1.00 0.00 H new ATOM 0 HB VAL A 34 2.855 -0.786 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.143 1.318 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.197 -0.114 4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.068 0.805 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.001 1.230 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.806 0.712 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.487 -0.267 2.513 1.00 0.00 H new ATOM 494 N SER A 35 2.291 -3.413 2.301 1.00 0.00 N ATOM 495 CA SER A 35 1.266 -4.106 1.540 1.00 0.00 C ATOM 496 C SER A 35 0.086 -3.169 1.276 1.00 0.00 C ATOM 497 O SER A 35 -0.201 -2.285 2.082 1.00 0.00 O ATOM 498 CB SER A 35 0.793 -5.364 2.271 1.00 0.00 C ATOM 499 OG SER A 35 1.881 -6.108 2.813 1.00 0.00 O ATOM 0 H SER A 35 2.583 -3.888 3.155 1.00 0.00 H new ATOM 0 HA SER A 35 1.697 -4.413 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.111 -5.082 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.231 -5.994 1.582 1.00 0.00 H new ATOM 0 HG SER A 35 1.537 -6.902 3.273 1.00 0.00 H new ATOM 505 N LEU A 36 -0.567 -3.395 0.146 1.00 0.00 N ATOM 506 CA LEU A 36 -1.710 -2.582 -0.233 1.00 0.00 C ATOM 507 C LEU A 36 -2.674 -3.424 -1.072 1.00 0.00 C ATOM 508 O LEU A 36 -2.253 -4.348 -1.767 1.00 0.00 O ATOM 509 CB LEU A 36 -1.249 -1.300 -0.929 1.00 0.00 C ATOM 510 CG LEU A 36 -0.617 -0.238 -0.027 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.097 0.942 -0.851 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.596 0.210 1.060 1.00 0.00 C ATOM 0 H LEU A 36 -0.326 -4.130 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.257 -2.258 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.528 -1.568 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.107 -0.856 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 36 0.242 -0.683 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.347 1.683 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.656 0.590 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.923 1.395 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.122 0.965 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.487 0.631 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.877 -0.647 1.673 1.00 0.00 H new ATOM 524 N LEU A 37 -3.949 -3.076 -0.979 1.00 0.00 N ATOM 525 CA LEU A 37 -4.975 -3.788 -1.720 1.00 0.00 C ATOM 526 C LEU A 37 -5.283 -3.030 -3.013 1.00 0.00 C ATOM 527 O LEU A 37 -5.337 -1.801 -3.019 1.00 0.00 O ATOM 528 CB LEU A 37 -6.204 -4.027 -0.840 1.00 0.00 C ATOM 529 CG LEU A 37 -6.125 -5.223 0.111 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.432 -5.391 0.889 1.00 0.00 C ATOM 531 CD2 LEU A 37 -5.737 -6.497 -0.641 1.00 0.00 C ATOM 0 H LEU A 37 -4.295 -2.310 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.620 -4.778 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.383 -3.129 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.070 -4.160 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.339 -5.029 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.350 -6.248 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.626 -4.492 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.253 -5.553 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.688 -7.332 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.483 -6.709 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.763 -6.360 -1.111 1.00 0.00 H new ATOM 543 N GLU A 38 -5.478 -3.795 -4.078 1.00 0.00 N ATOM 544 CA GLU A 38 -5.779 -3.211 -5.374 1.00 0.00 C ATOM 545 C GLU A 38 -6.924 -2.204 -5.249 1.00 0.00 C ATOM 546 O GLU A 38 -7.084 -1.331 -6.101 1.00 0.00 O ATOM 547 CB GLU A 38 -6.112 -4.295 -6.400 1.00 0.00 C ATOM 548 CG GLU A 38 -7.108 -5.305 -5.827 1.00 0.00 C ATOM 549 CD GLU A 38 -7.714 -6.167 -6.936 1.00 0.00 C ATOM 550 OE1 GLU A 38 -7.065 -7.175 -7.291 1.00 0.00 O ATOM 551 OE2 GLU A 38 -8.813 -5.799 -7.404 1.00 0.00 O ATOM 0 H GLU A 38 -5.433 -4.814 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.893 -2.683 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.529 -3.836 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.199 -4.809 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.607 -5.943 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.901 -4.778 -5.297 1.00 0.00 H new ATOM 558 N GLY A 39 -7.692 -2.359 -4.180 1.00 0.00 N ATOM 559 CA GLY A 39 -8.818 -1.474 -3.933 1.00 0.00 C ATOM 560 C GLY A 39 -8.422 -0.332 -2.994 1.00 0.00 C ATOM 561 O GLY A 39 -9.041 0.731 -3.009 1.00 0.00 O ATOM 0 H GLY A 39 -7.557 -3.084 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.178 -1.065 -4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.641 -2.040 -3.496 1.00 0.00 H new ATOM 565 N ASP A 40 -7.393 -0.590 -2.201 1.00 0.00 N ATOM 566 CA ASP A 40 -6.907 0.403 -1.258 1.00 0.00 C ATOM 567 C ASP A 40 -6.456 1.648 -2.023 1.00 0.00 C ATOM 568 O ASP A 40 -5.946 1.546 -3.137 1.00 0.00 O ATOM 569 CB ASP A 40 -5.709 -0.127 -0.468 1.00 0.00 C ATOM 570 CG ASP A 40 -6.065 -0.980 0.752 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.276 -1.077 1.043 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.116 -1.515 1.366 1.00 0.00 O ATOM 0 H ASP A 40 -6.882 -1.473 -2.192 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.718 0.638 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.085 -0.719 -1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.107 0.720 -0.137 1.00 0.00 H new ATOM 577 N LEU A 41 -6.659 2.796 -1.394 1.00 0.00 N ATOM 578 CA LEU A 41 -6.280 4.060 -2.001 1.00 0.00 C ATOM 579 C LEU A 41 -5.228 4.746 -1.126 1.00 0.00 C ATOM 580 O LEU A 41 -5.189 4.534 0.085 1.00 0.00 O ATOM 581 CB LEU A 41 -7.516 4.921 -2.265 1.00 0.00 C ATOM 582 CG LEU A 41 -7.306 6.139 -3.168 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.657 5.812 -4.620 1.00 0.00 C ATOM 584 CD2 LEU A 41 -8.087 7.348 -2.648 1.00 0.00 C ATOM 0 H LEU A 41 -7.082 2.877 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.824 3.892 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.285 4.291 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.905 5.267 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.249 6.404 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.499 6.694 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.021 5.001 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.702 5.507 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.921 8.200 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.151 7.111 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.747 7.596 -1.643 1.00 0.00 H new ATOM 596 N VAL A 42 -4.402 5.555 -1.774 1.00 0.00 N ATOM 597 CA VAL A 42 -3.354 6.273 -1.070 1.00 0.00 C ATOM 598 C VAL A 42 -3.196 7.666 -1.682 1.00 0.00 C ATOM 599 O VAL A 42 -3.686 7.925 -2.780 1.00 0.00 O ATOM 600 CB VAL A 42 -2.057 5.461 -1.091 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.277 4.062 -0.512 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.482 5.383 -2.507 1.00 0.00 C ATOM 0 H VAL A 42 -4.438 5.729 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.621 6.406 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.330 5.974 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.340 3.506 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.621 4.145 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.027 3.537 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.561 4.801 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.205 4.904 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.270 6.389 -2.870 1.00 0.00 H new ATOM 612 N GLY A 43 -2.510 8.528 -0.945 1.00 0.00 N ATOM 613 CA GLY A 43 -2.282 9.888 -1.402 1.00 0.00 C ATOM 614 C GLY A 43 -0.786 10.192 -1.493 1.00 0.00 C ATOM 615 O GLY A 43 -0.087 10.200 -0.480 1.00 0.00 O ATOM 0 H GLY A 43 -2.105 8.310 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.746 10.030 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.758 10.590 -0.718 1.00 0.00 H new ATOM 619 N VAL A 44 -0.337 10.435 -2.716 1.00 0.00 N ATOM 620 CA VAL A 44 1.064 10.739 -2.952 1.00 0.00 C ATOM 621 C VAL A 44 1.534 11.781 -1.935 1.00 0.00 C ATOM 622 O VAL A 44 0.868 12.793 -1.725 1.00 0.00 O ATOM 623 CB VAL A 44 1.265 11.186 -4.402 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.584 11.944 -4.564 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.197 9.993 -5.357 1.00 0.00 C ATOM 0 H VAL A 44 -0.919 10.427 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 44 1.677 9.849 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 44 0.454 11.867 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.702 12.250 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.578 12.826 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.413 11.296 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.343 10.338 -6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.978 9.277 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.222 9.513 -5.271 1.00 0.00 H new ATOM 635 N ILE A 45 2.679 11.497 -1.331 1.00 0.00 N ATOM 636 CA ILE A 45 3.246 12.396 -0.341 1.00 0.00 C ATOM 637 C ILE A 45 4.472 13.094 -0.934 1.00 0.00 C ATOM 638 O ILE A 45 4.556 14.321 -0.926 1.00 0.00 O ATOM 639 CB ILE A 45 3.536 11.646 0.961 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.251 11.420 1.761 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.604 12.369 1.784 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.442 10.319 2.806 1.00 0.00 C ATOM 0 H ILE A 45 3.229 10.657 -1.509 1.00 0.00 H new ATOM 0 HA ILE A 45 2.530 13.175 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 45 3.935 10.664 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.957 12.347 2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.441 11.148 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.791 11.815 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.526 12.435 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.257 13.373 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.514 10.179 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.712 9.388 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.237 10.605 3.495 1.00 0.00 H new ATOM 654 N LYS A 46 5.390 12.281 -1.435 1.00 0.00 N ATOM 655 CA LYS A 46 6.607 12.805 -2.032 1.00 0.00 C ATOM 656 C LYS A 46 6.857 12.105 -3.369 1.00 0.00 C ATOM 657 O LYS A 46 6.624 10.904 -3.498 1.00 0.00 O ATOM 658 CB LYS A 46 7.776 12.692 -1.051 1.00 0.00 C ATOM 659 CG LYS A 46 8.301 14.075 -0.662 1.00 0.00 C ATOM 660 CD LYS A 46 7.173 14.959 -0.125 1.00 0.00 C ATOM 661 CE LYS A 46 7.693 15.922 0.944 1.00 0.00 C ATOM 662 NZ LYS A 46 8.069 17.218 0.335 1.00 0.00 N ATOM 0 H LYS A 46 5.316 11.264 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 46 6.500 13.869 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.455 12.156 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.578 12.108 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.079 13.973 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.759 14.551 -1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.728 15.525 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.385 14.334 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.928 16.079 1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.556 15.485 1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.420 17.860 1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.815 17.065 -0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.237 17.640 -0.124 1.00 0.00 H new ATOM 676 N LYS A 47 7.326 12.886 -4.331 1.00 0.00 N ATOM 677 CA LYS A 47 7.610 12.356 -5.654 1.00 0.00 C ATOM 678 C LYS A 47 9.101 12.029 -5.759 1.00 0.00 C ATOM 679 O LYS A 47 9.668 12.045 -6.850 1.00 0.00 O ATOM 680 CB LYS A 47 7.114 13.318 -6.734 1.00 0.00 C ATOM 681 CG LYS A 47 5.585 13.370 -6.763 1.00 0.00 C ATOM 682 CD LYS A 47 5.077 13.860 -8.120 1.00 0.00 C ATOM 683 CE LYS A 47 3.586 13.562 -8.289 1.00 0.00 C ATOM 684 NZ LYS A 47 2.981 14.485 -9.274 1.00 0.00 N ATOM 0 H LYS A 47 7.517 13.882 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 47 7.067 11.425 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.512 14.316 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.489 13.002 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.180 12.379 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.225 14.032 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.249 14.932 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.640 13.378 -8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.450 12.531 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.078 13.661 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.969 14.269 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.094 15.465 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.454 14.371 -10.193 1.00 0.00 H new ATOM 698 N LYS A 48 9.693 11.740 -4.610 1.00 0.00 N ATOM 699 CA LYS A 48 11.107 11.410 -4.559 1.00 0.00 C ATOM 700 C LYS A 48 11.421 10.732 -3.224 1.00 0.00 C ATOM 701 O LYS A 48 10.576 10.693 -2.330 1.00 0.00 O ATOM 702 CB LYS A 48 11.958 12.653 -4.832 1.00 0.00 C ATOM 703 CG LYS A 48 12.776 12.486 -6.114 1.00 0.00 C ATOM 704 CD LYS A 48 14.273 12.623 -5.830 1.00 0.00 C ATOM 705 CE LYS A 48 14.848 13.870 -6.506 1.00 0.00 C ATOM 706 NZ LYS A 48 15.770 13.488 -7.598 1.00 0.00 N ATOM 0 H LYS A 48 9.219 11.727 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 48 11.360 10.699 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.313 13.528 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.627 12.832 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.573 11.510 -6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.471 13.235 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.439 12.679 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.797 11.737 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.038 14.482 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.376 14.478 -5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.151 14.345 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.552 12.923 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.255 12.927 -8.306 1.00 0.00 H new ATOM 720 N ASP A 49 12.637 10.214 -3.130 1.00 0.00 N ATOM 721 CA ASP A 49 13.072 9.540 -1.919 1.00 0.00 C ATOM 722 C ASP A 49 14.414 10.121 -1.471 1.00 0.00 C ATOM 723 O ASP A 49 15.141 10.705 -2.273 1.00 0.00 O ATOM 724 CB ASP A 49 13.263 8.041 -2.162 1.00 0.00 C ATOM 725 CG ASP A 49 12.174 7.379 -3.007 1.00 0.00 C ATOM 726 OD1 ASP A 49 11.331 8.133 -3.539 1.00 0.00 O ATOM 727 OD2 ASP A 49 12.207 6.133 -3.101 1.00 0.00 O ATOM 0 H ASP A 49 13.335 10.248 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 49 12.307 9.688 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.225 7.887 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.311 7.535 -1.198 1.00 0.00 H new ATOM 732 N PRO A 50 14.710 9.937 -0.156 1.00 0.00 N ATOM 733 CA PRO A 50 15.952 10.436 0.408 1.00 0.00 C ATOM 734 C PRO A 50 17.137 9.566 -0.016 1.00 0.00 C ATOM 735 O PRO A 50 18.276 9.832 0.365 1.00 0.00 O ATOM 736 CB PRO A 50 15.727 10.441 1.912 1.00 0.00 C ATOM 737 CG PRO A 50 14.549 9.513 2.160 1.00 0.00 C ATOM 738 CD PRO A 50 13.873 9.250 0.824 1.00 0.00 C ATOM 0 HA PRO A 50 16.203 11.435 0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.615 10.095 2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.514 11.448 2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.887 8.578 2.607 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.847 9.966 2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.813 8.182 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.853 9.635 0.813 1.00 0.00 H new ATOM 746 N MET A 51 16.828 8.543 -0.800 1.00 0.00 N ATOM 747 CA MET A 51 17.852 7.632 -1.280 1.00 0.00 C ATOM 748 C MET A 51 18.218 7.935 -2.734 1.00 0.00 C ATOM 749 O MET A 51 19.380 7.828 -3.121 1.00 0.00 O ATOM 750 CB MET A 51 17.348 6.192 -1.170 1.00 0.00 C ATOM 751 CG MET A 51 17.522 5.657 0.253 1.00 0.00 C ATOM 752 SD MET A 51 16.486 4.225 0.499 1.00 0.00 S ATOM 753 CE MET A 51 17.478 3.322 1.677 1.00 0.00 C ATOM 0 H MET A 51 15.882 8.325 -1.114 1.00 0.00 H new ATOM 0 HA MET A 51 18.743 7.762 -0.666 1.00 0.00 H new ATOM 0 HB2 MET A 51 16.296 6.149 -1.453 1.00 0.00 H new ATOM 0 HB3 MET A 51 17.892 5.558 -1.870 1.00 0.00 H new ATOM 0 HG2 MET A 51 18.566 5.395 0.426 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.264 6.431 0.975 1.00 0.00 H new ATOM 0 HE1 MET A 51 16.973 2.393 1.941 1.00 0.00 H new ATOM 0 HE2 MET A 51 18.449 3.095 1.237 1.00 0.00 H new ATOM 0 HE3 MET A 51 17.618 3.926 2.573 1.00 0.00 H new ATOM 763 N GLY A 52 17.203 8.307 -3.501 1.00 0.00 N ATOM 764 CA GLY A 52 17.402 8.627 -4.904 1.00 0.00 C ATOM 765 C GLY A 52 16.638 7.652 -5.802 1.00 0.00 C ATOM 766 O GLY A 52 17.245 6.875 -6.538 1.00 0.00 O ATOM 0 H GLY A 52 16.240 8.394 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.067 9.646 -5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.465 8.590 -5.142 1.00 0.00 H new ATOM 770 N SER A 53 15.319 7.724 -5.712 1.00 0.00 N ATOM 771 CA SER A 53 14.466 6.858 -6.508 1.00 0.00 C ATOM 772 C SER A 53 13.201 7.610 -6.927 1.00 0.00 C ATOM 773 O SER A 53 12.179 7.543 -6.245 1.00 0.00 O ATOM 774 CB SER A 53 14.097 5.589 -5.736 1.00 0.00 C ATOM 775 OG SER A 53 15.191 4.681 -5.648 1.00 0.00 O ATOM 0 H SER A 53 14.819 8.369 -5.100 1.00 0.00 H new ATOM 0 HA SER A 53 15.017 6.562 -7.400 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.768 5.858 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.257 5.098 -6.226 1.00 0.00 H new ATOM 0 HG SER A 53 15.993 5.097 -6.029 1.00 0.00 H new ATOM 781 N GLN A 54 13.311 8.309 -8.047 1.00 0.00 N ATOM 782 CA GLN A 54 12.190 9.074 -8.566 1.00 0.00 C ATOM 783 C GLN A 54 10.992 8.155 -8.816 1.00 0.00 C ATOM 784 O GLN A 54 9.914 8.369 -8.263 1.00 0.00 O ATOM 785 CB GLN A 54 12.580 9.825 -9.840 1.00 0.00 C ATOM 786 CG GLN A 54 11.523 10.868 -10.207 1.00 0.00 C ATOM 787 CD GLN A 54 11.369 10.981 -11.725 1.00 0.00 C ATOM 788 OE1 GLN A 54 12.027 11.768 -12.385 1.00 0.00 O ATOM 789 NE2 GLN A 54 10.465 10.152 -12.240 1.00 0.00 N ATOM 0 H GLN A 54 14.160 8.362 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 54 11.906 9.816 -7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.544 10.313 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.699 9.118 -10.661 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.567 10.595 -9.760 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.803 11.837 -9.793 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.949 9.518 -11.630 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.288 10.150 -13.245 1.00 0.00 H new ATOM 798 N ASN A 55 11.221 7.151 -9.651 1.00 0.00 N ATOM 799 CA ASN A 55 10.175 6.199 -9.982 1.00 0.00 C ATOM 800 C ASN A 55 9.418 5.816 -8.708 1.00 0.00 C ATOM 801 O ASN A 55 8.213 5.573 -8.746 1.00 0.00 O ATOM 802 CB ASN A 55 10.762 4.922 -10.585 1.00 0.00 C ATOM 803 CG ASN A 55 11.524 5.226 -11.876 1.00 0.00 C ATOM 804 OD1 ASN A 55 12.654 5.686 -11.868 1.00 0.00 O ATOM 805 ND2 ASN A 55 10.844 4.943 -12.984 1.00 0.00 N ATOM 0 H ASN A 55 12.116 6.977 -10.108 1.00 0.00 H new ATOM 0 HA ASN A 55 9.511 6.668 -10.708 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.431 4.450 -9.866 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.962 4.211 -10.790 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.266 5.109 -13.898 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.901 4.560 -12.920 1.00 0.00 H new ATOM 812 N ARG A 56 10.157 5.775 -7.609 1.00 0.00 N ATOM 813 CA ARG A 56 9.572 5.425 -6.326 1.00 0.00 C ATOM 814 C ARG A 56 9.034 6.677 -5.629 1.00 0.00 C ATOM 815 O ARG A 56 9.772 7.639 -5.418 1.00 0.00 O ATOM 816 CB ARG A 56 10.599 4.746 -5.418 1.00 0.00 C ATOM 817 CG ARG A 56 9.909 3.951 -4.308 1.00 0.00 C ATOM 818 CD ARG A 56 10.814 2.831 -3.792 1.00 0.00 C ATOM 819 NE ARG A 56 10.054 1.563 -3.714 1.00 0.00 N ATOM 820 CZ ARG A 56 10.621 0.350 -3.659 1.00 0.00 C ATOM 821 NH1 ARG A 56 11.956 0.233 -3.673 1.00 0.00 N ATOM 822 NH2 ARG A 56 9.853 -0.746 -3.590 1.00 0.00 N ATOM 0 H ARG A 56 11.156 5.978 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 56 8.754 4.729 -6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.229 4.081 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.254 5.498 -4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.646 4.618 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.978 3.527 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.672 2.711 -4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.205 3.092 -2.808 1.00 0.00 H new ATOM 0 HE ARG A 56 9.035 1.616 -3.701 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.541 1.067 -3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.387 -0.690 -3.631 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.837 -0.657 -3.579 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.284 -1.669 -3.548 1.00 0.00 H new ATOM 836 N TRP A 57 7.754 6.624 -5.292 1.00 0.00 N ATOM 837 CA TRP A 57 7.110 7.742 -4.624 1.00 0.00 C ATOM 838 C TRP A 57 6.635 7.262 -3.251 1.00 0.00 C ATOM 839 O TRP A 57 6.381 6.074 -3.059 1.00 0.00 O ATOM 840 CB TRP A 57 5.979 8.315 -5.481 1.00 0.00 C ATOM 841 CG TRP A 57 6.457 9.016 -6.754 1.00 0.00 C ATOM 842 CD1 TRP A 57 7.711 9.352 -7.090 1.00 0.00 C ATOM 843 CD2 TRP A 57 5.634 9.457 -7.854 1.00 0.00 C ATOM 844 NE1 TRP A 57 7.755 9.974 -8.321 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.452 10.040 -8.800 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.244 9.365 -8.043 1.00 0.00 C ATOM 847 CZ2 TRP A 57 5.973 10.577 -10.001 1.00 0.00 C ATOM 848 CZ3 TRP A 57 3.781 9.907 -9.249 1.00 0.00 C ATOM 849 CH2 TRP A 57 4.591 10.497 -10.211 1.00 0.00 C ATOM 0 H TRP A 57 7.146 5.825 -5.469 1.00 0.00 H new ATOM 0 HA TRP A 57 7.812 8.563 -4.482 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.301 7.507 -5.756 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.406 9.023 -4.882 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.577 9.160 -6.475 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.590 10.321 -8.793 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.586 8.913 -7.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.634 11.029 -10.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.720 9.863 -9.445 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.157 10.892 -11.117 1.00 0.00 H new ATOM 860 N LEU A 58 6.528 8.210 -2.332 1.00 0.00 N ATOM 861 CA LEU A 58 6.088 7.899 -0.983 1.00 0.00 C ATOM 862 C LEU A 58 4.602 8.234 -0.846 1.00 0.00 C ATOM 863 O LEU A 58 4.196 9.375 -1.066 1.00 0.00 O ATOM 864 CB LEU A 58 6.975 8.603 0.046 1.00 0.00 C ATOM 865 CG LEU A 58 6.577 8.420 1.512 1.00 0.00 C ATOM 866 CD1 LEU A 58 6.847 6.988 1.979 1.00 0.00 C ATOM 867 CD2 LEU A 58 7.271 9.453 2.402 1.00 0.00 C ATOM 0 H LEU A 58 6.739 9.195 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 58 6.194 6.833 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.997 8.246 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.981 9.670 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 58 5.504 8.590 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.555 6.885 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.269 6.292 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.909 6.766 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.971 9.301 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.352 9.339 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.986 10.456 2.085 1.00 0.00 H new ATOM 879 N ILE A 59 3.830 7.221 -0.482 1.00 0.00 N ATOM 880 CA ILE A 59 2.397 7.394 -0.312 1.00 0.00 C ATOM 881 C ILE A 59 2.008 7.015 1.118 1.00 0.00 C ATOM 882 O ILE A 59 2.786 6.383 1.830 1.00 0.00 O ATOM 883 CB ILE A 59 1.633 6.616 -1.385 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.884 5.112 -1.254 1.00 0.00 C ATOM 885 CG2 ILE A 59 1.971 7.134 -2.784 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.230 4.555 0.012 1.00 0.00 C ATOM 0 H ILE A 59 4.170 6.277 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 59 2.120 8.439 -0.451 1.00 0.00 H new ATOM 0 HB ILE A 59 0.566 6.779 -1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.488 4.596 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.957 4.920 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.414 6.564 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.700 8.187 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.040 7.021 -2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.424 3.485 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.645 5.056 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.154 4.727 -0.028 1.00 0.00 H new ATOM 898 N ASP A 60 0.803 7.417 1.495 1.00 0.00 N ATOM 899 CA ASP A 60 0.300 7.128 2.827 1.00 0.00 C ATOM 900 C ASP A 60 -0.890 6.172 2.722 1.00 0.00 C ATOM 901 O ASP A 60 -1.863 6.461 2.029 1.00 0.00 O ATOM 902 CB ASP A 60 -0.177 8.403 3.525 1.00 0.00 C ATOM 903 CG ASP A 60 0.254 8.540 4.987 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.477 8.668 5.208 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.650 8.515 5.850 1.00 0.00 O ATOM 0 H ASP A 60 0.160 7.941 0.901 1.00 0.00 H new ATOM 0 HA ASP A 60 1.111 6.683 3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.195 9.264 2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.265 8.440 3.478 1.00 0.00 H new ATOM 910 N ASN A 61 -0.772 5.053 3.421 1.00 0.00 N ATOM 911 CA ASN A 61 -1.826 4.053 3.415 1.00 0.00 C ATOM 912 C ASN A 61 -2.741 4.274 4.622 1.00 0.00 C ATOM 913 O ASN A 61 -3.134 3.320 5.291 1.00 0.00 O ATOM 914 CB ASN A 61 -1.246 2.640 3.515 1.00 0.00 C ATOM 915 CG ASN A 61 -0.477 2.454 4.824 1.00 0.00 C ATOM 916 OD1 ASN A 61 0.085 3.383 5.381 1.00 0.00 O ATOM 917 ND2 ASN A 61 -0.483 1.206 5.282 1.00 0.00 N ATOM 0 H ASN A 61 0.037 4.817 3.995 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.378 4.152 2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.051 1.908 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.583 2.455 2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.003 0.979 6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.973 0.476 4.766 1.00 0.00 H new ATOM 924 N GLY A 62 -3.053 5.539 4.863 1.00 0.00 N ATOM 925 CA GLY A 62 -3.913 5.898 5.977 1.00 0.00 C ATOM 926 C GLY A 62 -3.523 5.129 7.241 1.00 0.00 C ATOM 927 O GLY A 62 -4.381 4.788 8.054 1.00 0.00 O ATOM 0 H GLY A 62 -2.725 6.328 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.844 6.970 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.951 5.685 5.723 1.00 0.00 H new ATOM 931 N VAL A 63 -2.228 4.879 7.367 1.00 0.00 N ATOM 932 CA VAL A 63 -1.714 4.157 8.519 1.00 0.00 C ATOM 933 C VAL A 63 -0.240 4.516 8.724 1.00 0.00 C ATOM 934 O VAL A 63 0.177 4.829 9.838 1.00 0.00 O ATOM 935 CB VAL A 63 -1.944 2.655 8.340 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.287 1.862 9.471 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.437 2.337 8.242 1.00 0.00 C ATOM 0 H VAL A 63 -1.519 5.163 6.691 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.249 4.449 9.423 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.476 2.353 7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.465 0.797 9.320 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.214 2.053 9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.713 2.169 10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.573 1.263 8.115 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.939 2.661 9.154 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.865 2.860 7.387 1.00 0.00 H new ATOM 947 N THR A 64 0.507 4.458 7.631 1.00 0.00 N ATOM 948 CA THR A 64 1.925 4.773 7.677 1.00 0.00 C ATOM 949 C THR A 64 2.393 5.324 6.329 1.00 0.00 C ATOM 950 O THR A 64 1.605 5.904 5.584 1.00 0.00 O ATOM 951 CB THR A 64 2.675 3.513 8.112 1.00 0.00 C ATOM 952 OG1 THR A 64 4.015 3.957 8.310 1.00 0.00 O ATOM 953 CG2 THR A 64 2.787 2.480 6.988 1.00 0.00 C ATOM 0 H THR A 64 0.157 4.198 6.709 1.00 0.00 H new ATOM 0 HA THR A 64 2.132 5.559 8.403 1.00 0.00 H new ATOM 0 HB THR A 64 2.167 3.066 8.967 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.635 3.318 7.901 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.328 1.606 7.350 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.789 2.182 6.667 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.324 2.916 6.146 1.00 0.00 H new ATOM 961 N LYS A 65 3.674 5.123 6.056 1.00 0.00 N ATOM 962 CA LYS A 65 4.256 5.592 4.811 1.00 0.00 C ATOM 963 C LYS A 65 4.973 4.431 4.118 1.00 0.00 C ATOM 964 O LYS A 65 5.825 3.777 4.717 1.00 0.00 O ATOM 965 CB LYS A 65 5.153 6.806 5.062 1.00 0.00 C ATOM 966 CG LYS A 65 4.319 8.050 5.372 1.00 0.00 C ATOM 967 CD LYS A 65 5.153 9.101 6.107 1.00 0.00 C ATOM 968 CE LYS A 65 4.477 10.473 6.054 1.00 0.00 C ATOM 969 NZ LYS A 65 3.899 10.817 7.372 1.00 0.00 N ATOM 0 H LYS A 65 4.325 4.641 6.676 1.00 0.00 H new ATOM 0 HA LYS A 65 3.475 5.936 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.827 6.599 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.775 6.990 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.931 8.472 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.459 7.773 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.291 8.800 7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.144 9.163 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.202 11.231 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.693 10.470 5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.444 11.751 7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.192 10.102 7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.654 10.840 8.087 1.00 0.00 H new ATOM 983 N GLY A 66 4.601 4.211 2.866 1.00 0.00 N ATOM 984 CA GLY A 66 5.197 3.140 2.085 1.00 0.00 C ATOM 985 C GLY A 66 5.670 3.652 0.723 1.00 0.00 C ATOM 986 O GLY A 66 5.033 4.519 0.126 1.00 0.00 O ATOM 0 H GLY A 66 3.894 4.756 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.039 2.713 2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.470 2.340 1.944 1.00 0.00 H new ATOM 990 N PHE A 67 6.783 3.094 0.271 1.00 0.00 N ATOM 991 CA PHE A 67 7.349 3.484 -1.009 1.00 0.00 C ATOM 992 C PHE A 67 6.983 2.475 -2.100 1.00 0.00 C ATOM 993 O PHE A 67 7.352 1.304 -2.017 1.00 0.00 O ATOM 994 CB PHE A 67 8.869 3.504 -0.839 1.00 0.00 C ATOM 995 CG PHE A 67 9.394 4.724 -0.080 1.00 0.00 C ATOM 996 CD1 PHE A 67 9.357 4.747 1.279 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.898 5.786 -0.765 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.845 5.880 1.983 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.385 6.919 -0.061 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.349 6.941 1.299 1.00 0.00 C ATOM 0 H PHE A 67 7.308 2.375 0.768 1.00 0.00 H new ATOM 0 HA PHE A 67 6.960 4.458 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.177 2.601 -0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.335 3.473 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.957 3.904 1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.928 5.767 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.816 5.898 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.784 7.763 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.721 7.802 1.835 1.00 0.00 H new ATOM 1010 N VAL A 68 6.262 2.965 -3.098 1.00 0.00 N ATOM 1011 CA VAL A 68 5.842 2.121 -4.203 1.00 0.00 C ATOM 1012 C VAL A 68 5.981 2.898 -5.514 1.00 0.00 C ATOM 1013 O VAL A 68 5.826 4.118 -5.536 1.00 0.00 O ATOM 1014 CB VAL A 68 4.421 1.608 -3.960 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.372 0.692 -2.736 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.436 2.770 -3.815 1.00 0.00 C ATOM 0 H VAL A 68 5.958 3.936 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 68 6.482 1.242 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 68 4.122 1.022 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.351 0.341 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.030 -0.162 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.700 1.244 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.434 2.378 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.731 3.394 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.441 3.367 -4.727 1.00 0.00 H new ATOM 1026 N TYR A 69 6.271 2.160 -6.575 1.00 0.00 N ATOM 1027 CA TYR A 69 6.432 2.764 -7.886 1.00 0.00 C ATOM 1028 C TYR A 69 5.079 3.173 -8.471 1.00 0.00 C ATOM 1029 O TYR A 69 4.150 2.368 -8.519 1.00 0.00 O ATOM 1030 CB TYR A 69 7.054 1.685 -8.775 1.00 0.00 C ATOM 1031 CG TYR A 69 8.555 1.488 -8.558 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.150 1.942 -7.398 1.00 0.00 C ATOM 1033 CD2 TYR A 69 9.315 0.858 -9.522 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.564 1.757 -7.193 1.00 0.00 C ATOM 1035 CE2 TYR A 69 10.729 0.673 -9.317 1.00 0.00 C ATOM 1036 CZ TYR A 69 11.283 1.132 -8.163 1.00 0.00 C ATOM 1037 OH TYR A 69 12.618 0.957 -7.970 1.00 0.00 O ATOM 0 H TYR A 69 6.399 1.148 -6.553 1.00 0.00 H new ATOM 0 HA TYR A 69 7.050 3.660 -7.822 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.544 0.739 -8.592 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.879 1.944 -9.819 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.555 2.436 -6.644 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.850 0.504 -10.430 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.042 2.107 -6.290 1.00 0.00 H new ATOM 0 HE2 TYR A 69 11.335 0.181 -10.063 1.00 0.00 H new ATOM 0 HH TYR A 69 13.003 0.495 -8.744 1.00 0.00 H new ATOM 1047 N SER A 70 5.011 4.424 -8.903 1.00 0.00 N ATOM 1048 CA SER A 70 3.787 4.950 -9.483 1.00 0.00 C ATOM 1049 C SER A 70 3.152 3.904 -10.401 1.00 0.00 C ATOM 1050 O SER A 70 1.935 3.887 -10.581 1.00 0.00 O ATOM 1051 CB SER A 70 4.055 6.242 -10.257 1.00 0.00 C ATOM 1052 OG SER A 70 5.209 6.138 -11.087 1.00 0.00 O ATOM 0 H SER A 70 5.784 5.088 -8.863 1.00 0.00 H new ATOM 0 HA SER A 70 3.096 5.181 -8.672 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.187 6.483 -10.871 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.187 7.065 -9.554 1.00 0.00 H new ATOM 0 HG SER A 70 5.345 6.982 -11.565 1.00 0.00 H new ATOM 1058 N SER A 71 4.004 3.056 -10.958 1.00 0.00 N ATOM 1059 CA SER A 71 3.541 2.009 -11.853 1.00 0.00 C ATOM 1060 C SER A 71 2.424 1.205 -11.184 1.00 0.00 C ATOM 1061 O SER A 71 1.363 1.002 -11.772 1.00 0.00 O ATOM 1062 CB SER A 71 4.690 1.084 -12.260 1.00 0.00 C ATOM 1063 OG SER A 71 4.820 0.985 -13.675 1.00 0.00 O ATOM 0 H SER A 71 5.013 3.073 -10.807 1.00 0.00 H new ATOM 0 HA SER A 71 3.151 2.479 -12.756 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.623 1.456 -11.835 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.522 0.092 -11.841 1.00 0.00 H new ATOM 0 HG SER A 71 5.565 0.387 -13.894 1.00 0.00 H new ATOM 1069 N PHE A 72 2.701 0.769 -9.964 1.00 0.00 N ATOM 1070 CA PHE A 72 1.733 -0.008 -9.209 1.00 0.00 C ATOM 1071 C PHE A 72 0.553 0.862 -8.772 1.00 0.00 C ATOM 1072 O PHE A 72 -0.471 0.347 -8.324 1.00 0.00 O ATOM 1073 CB PHE A 72 2.452 -0.534 -7.966 1.00 0.00 C ATOM 1074 CG PHE A 72 3.351 -1.743 -8.231 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.800 -2.972 -8.419 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.702 -1.589 -8.279 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.634 -4.094 -8.666 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.536 -2.711 -8.526 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.985 -3.940 -8.714 1.00 0.00 C ATOM 0 H PHE A 72 3.582 0.939 -9.479 1.00 0.00 H new ATOM 0 HA PHE A 72 1.344 -0.818 -9.826 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.056 0.268 -7.541 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.709 -0.805 -7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.728 -3.095 -8.380 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.140 -0.613 -8.129 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.196 -5.070 -8.816 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.608 -2.588 -8.565 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.620 -4.794 -8.901 1.00 0.00 H new ATOM 1089 N LEU A 73 0.735 2.166 -8.916 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.302 3.113 -8.542 1.00 0.00 C ATOM 1091 C LEU A 73 -0.953 3.677 -9.806 1.00 0.00 C ATOM 1092 O LEU A 73 -0.414 3.535 -10.903 1.00 0.00 O ATOM 1093 CB LEU A 73 0.264 4.187 -7.610 1.00 0.00 C ATOM 1094 CG LEU A 73 0.701 3.709 -6.224 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.472 4.804 -5.484 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.496 3.205 -5.415 1.00 0.00 C ATOM 0 H LEU A 73 1.586 2.590 -9.287 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.087 2.613 -7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.121 4.650 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.490 4.964 -7.484 1.00 0.00 H new ATOM 0 HG LEU A 73 1.381 2.867 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.771 4.438 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.360 5.074 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.836 5.681 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.158 2.871 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.219 4.012 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.965 2.373 -5.940 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.103 4.305 -9.611 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.833 4.892 -10.723 1.00 0.00 C ATOM 1110 C LYS A 74 -3.509 6.183 -10.258 1.00 0.00 C ATOM 1111 O LYS A 74 -3.916 6.295 -9.103 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.802 3.872 -11.324 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.856 3.447 -10.299 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.232 4.011 -10.661 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.228 2.886 -10.946 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.160 3.280 -12.027 1.00 0.00 N ATOM 0 H LYS A 74 -2.548 4.420 -8.700 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.150 5.162 -11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.292 4.301 -12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.249 2.997 -11.666 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.906 2.359 -10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.566 3.795 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.602 4.630 -9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.146 4.656 -11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.692 1.981 -11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.789 2.651 -10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.829 2.505 -12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.685 4.131 -11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.621 3.481 -12.894 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.609 7.152 -11.207 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.229 8.432 -10.907 1.00 0.00 C ATOM 1132 C PRO A 75 -5.751 8.300 -10.832 1.00 0.00 C ATOM 1133 O PRO A 75 -6.415 8.130 -11.853 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.768 9.362 -12.018 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.290 8.461 -13.145 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.138 7.056 -12.586 1.00 0.00 C ATOM 0 HA PRO A 75 -3.938 8.822 -9.932 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.582 10.006 -12.351 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.966 10.015 -11.673 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.004 8.469 -13.969 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.340 8.818 -13.543 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.727 6.337 -13.156 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.101 6.723 -12.628 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.260 8.383 -9.611 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.692 8.275 -9.389 1.00 0.00 C ATOM 1146 C TYR A 76 -8.461 9.252 -10.280 1.00 0.00 C ATOM 1147 O TYR A 76 -7.860 10.004 -11.046 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.921 8.652 -7.924 1.00 0.00 C ATOM 1149 CG TYR A 76 -9.314 8.299 -7.401 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.658 6.979 -7.190 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -10.228 9.300 -7.139 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.970 6.646 -6.698 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.539 8.967 -6.647 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.846 7.657 -6.450 1.00 0.00 C ATOM 1155 OH TYR A 76 -13.084 7.342 -5.985 1.00 0.00 O ATOM 0 H TYR A 76 -5.707 8.524 -8.766 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.041 7.269 -9.622 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.175 8.148 -7.309 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.761 9.724 -7.806 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.943 6.196 -7.394 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.959 10.333 -7.303 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.252 5.617 -6.530 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.263 9.741 -6.439 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.602 8.163 -5.852 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.779 9.210 -10.151 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.636 10.082 -10.936 1.00 0.00 C ATOM 1167 C ASN A 77 -12.036 10.105 -10.318 1.00 0.00 C ATOM 1168 O ASN A 77 -12.835 9.199 -10.550 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.762 9.581 -12.375 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.051 10.736 -13.336 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -10.953 11.903 -12.991 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -11.411 10.349 -14.556 1.00 0.00 N ATOM 0 H ASN A 77 -10.274 8.586 -9.514 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.192 11.077 -10.939 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.841 9.079 -12.671 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.561 8.843 -12.438 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.625 11.046 -15.270 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.473 9.355 -14.778 1.00 0.00 H new ATOM 1179 N PRO A 78 -12.296 11.177 -9.523 1.00 0.00 N ATOM 1180 CA PRO A 78 -13.585 11.329 -8.871 1.00 0.00 C ATOM 1181 C PRO A 78 -14.658 11.766 -9.870 1.00 0.00 C ATOM 1182 O PRO A 78 -15.809 11.985 -9.496 1.00 0.00 O ATOM 1183 CB PRO A 78 -13.350 12.349 -7.768 1.00 0.00 C ATOM 1184 CG PRO A 78 -12.065 13.073 -8.137 1.00 0.00 C ATOM 1185 CD PRO A 78 -11.373 12.269 -9.226 1.00 0.00 C ATOM 0 HA PRO A 78 -13.959 10.393 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.185 13.046 -7.697 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.259 11.861 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.282 14.082 -8.487 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.418 13.171 -7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.184 12.879 -10.109 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.408 11.891 -8.887 1.00 0.00 H new ATOM 1193 N ARG A 79 -14.242 11.880 -11.123 1.00 0.00 N ATOM 1194 CA ARG A 79 -15.153 12.287 -12.180 1.00 0.00 C ATOM 1195 C ARG A 79 -15.791 13.635 -11.840 1.00 0.00 C ATOM 1196 O ARG A 79 -16.882 13.685 -11.275 1.00 0.00 O ATOM 1197 CB ARG A 79 -16.255 11.247 -12.388 1.00 0.00 C ATOM 1198 CG ARG A 79 -17.277 11.730 -13.418 1.00 0.00 C ATOM 1199 CD ARG A 79 -18.669 11.852 -12.794 1.00 0.00 C ATOM 1200 NE ARG A 79 -19.685 11.284 -13.709 1.00 0.00 N ATOM 1201 CZ ARG A 79 -20.077 11.866 -14.850 1.00 0.00 C ATOM 1202 NH1 ARG A 79 -19.541 13.035 -15.225 1.00 0.00 N ATOM 1203 NH2 ARG A 79 -21.006 11.278 -15.617 1.00 0.00 N ATOM 0 H ARG A 79 -13.287 11.698 -11.430 1.00 0.00 H new ATOM 0 HA ARG A 79 -14.575 12.376 -13.100 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.815 10.307 -12.720 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.755 11.047 -11.440 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.968 12.696 -13.817 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.310 11.034 -14.257 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.695 11.329 -11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.895 12.899 -12.591 1.00 0.00 H new ATOM 0 HE ARG A 79 -20.113 10.394 -13.455 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.834 13.482 -14.642 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.840 13.478 -16.094 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.414 10.388 -15.332 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.305 11.721 -16.486 1.00 0.00 H new ATOM 1217 N ARG A 80 -15.084 14.696 -12.200 1.00 0.00 N ATOM 1218 CA ARG A 80 -15.567 16.042 -11.940 1.00 0.00 C ATOM 1219 C ARG A 80 -16.265 16.603 -13.181 1.00 0.00 C ATOM 1220 O ARG A 80 -15.663 17.347 -13.953 1.00 0.00 O ATOM 1221 CB ARG A 80 -14.420 16.973 -11.543 1.00 0.00 C ATOM 1222 CG ARG A 80 -14.918 18.102 -10.640 1.00 0.00 C ATOM 1223 CD ARG A 80 -13.748 18.919 -10.087 1.00 0.00 C ATOM 1224 NE ARG A 80 -14.092 19.458 -8.753 1.00 0.00 N ATOM 1225 CZ ARG A 80 -13.376 20.392 -8.112 1.00 0.00 C ATOM 1226 NH1 ARG A 80 -12.273 20.897 -8.680 1.00 0.00 N ATOM 1227 NH2 ARG A 80 -13.764 20.821 -6.903 1.00 0.00 N ATOM 0 H ARG A 80 -14.180 14.651 -12.670 1.00 0.00 H new ATOM 0 HA ARG A 80 -16.275 15.986 -11.114 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.647 16.404 -11.027 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.962 17.394 -12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.587 18.753 -11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.497 17.685 -9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.858 18.293 -10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.510 19.736 -10.768 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.927 19.096 -8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.978 20.571 -9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.728 21.608 -8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.604 20.437 -6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.219 21.532 -6.415 1.00 0.00 H new ATOM 1241 N SER A 81 -17.526 16.226 -13.333 1.00 0.00 N ATOM 1242 CA SER A 81 -18.312 16.683 -14.466 1.00 0.00 C ATOM 1243 C SER A 81 -17.456 16.676 -15.734 1.00 0.00 C ATOM 1244 O SER A 81 -17.102 17.733 -16.253 1.00 0.00 O ATOM 1245 CB SER A 81 -18.879 18.081 -14.215 1.00 0.00 C ATOM 1246 OG SER A 81 -20.278 18.051 -13.947 1.00 0.00 O ATOM 0 H SER A 81 -18.023 15.609 -12.690 1.00 0.00 H new ATOM 0 HA SER A 81 -19.151 15.999 -14.598 1.00 0.00 H new ATOM 0 HB2 SER A 81 -18.359 18.537 -13.373 1.00 0.00 H new ATOM 0 HB3 SER A 81 -18.690 18.710 -15.085 1.00 0.00 H new ATOM 0 HG SER A 81 -20.601 18.963 -13.791 1.00 0.00 H new ATOM 1252 N HIS A 82 -17.147 15.473 -16.195 1.00 0.00 N ATOM 1253 CA HIS A 82 -16.339 15.315 -17.392 1.00 0.00 C ATOM 1254 C HIS A 82 -16.465 13.882 -17.911 1.00 0.00 C ATOM 1255 O HIS A 82 -15.462 13.236 -18.211 1.00 0.00 O ATOM 1256 CB HIS A 82 -14.888 15.724 -17.126 1.00 0.00 C ATOM 1257 CG HIS A 82 -14.058 15.890 -18.376 1.00 0.00 C ATOM 1258 ND1 HIS A 82 -13.808 14.849 -19.253 1.00 0.00 N ATOM 1259 CD2 HIS A 82 -13.425 16.985 -18.886 1.00 0.00 C ATOM 1260 CE1 HIS A 82 -13.056 15.309 -20.243 1.00 0.00 C ATOM 1261 NE2 HIS A 82 -12.819 16.632 -20.013 1.00 0.00 N ATOM 0 H HIS A 82 -17.442 14.598 -15.761 1.00 0.00 H new ATOM 0 HA HIS A 82 -16.706 15.981 -18.173 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -14.882 16.662 -16.571 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -14.421 14.973 -16.489 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -14.145 13.891 -19.154 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -13.418 17.972 -18.447 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -12.694 14.736 -21.084 1.00 0.00 H new ATOM 1269 N SER A 83 -17.706 13.426 -18.001 1.00 0.00 N ATOM 1270 CA SER A 83 -17.977 12.081 -18.479 1.00 0.00 C ATOM 1271 C SER A 83 -19.474 11.910 -18.742 1.00 0.00 C ATOM 1272 O SER A 83 -20.271 12.784 -18.403 1.00 0.00 O ATOM 1273 CB SER A 83 -17.491 11.032 -17.476 1.00 0.00 C ATOM 1274 OG SER A 83 -17.267 9.768 -18.093 1.00 0.00 O ATOM 0 H SER A 83 -18.535 13.965 -17.751 1.00 0.00 H new ATOM 0 HA SER A 83 -17.432 11.933 -19.411 1.00 0.00 H new ATOM 0 HB2 SER A 83 -16.568 11.376 -17.010 1.00 0.00 H new ATOM 0 HB3 SER A 83 -18.228 10.922 -16.681 1.00 0.00 H new ATOM 0 HG SER A 83 -16.956 9.126 -17.421 1.00 0.00 H new ATOM 1280 N ASP A 84 -19.812 10.779 -19.343 1.00 0.00 N ATOM 1281 CA ASP A 84 -21.200 10.483 -19.655 1.00 0.00 C ATOM 1282 C ASP A 84 -21.510 9.038 -19.259 1.00 0.00 C ATOM 1283 O ASP A 84 -21.307 8.117 -20.049 1.00 0.00 O ATOM 1284 CB ASP A 84 -21.471 10.631 -21.154 1.00 0.00 C ATOM 1285 CG ASP A 84 -22.843 11.207 -21.508 1.00 0.00 C ATOM 1286 OD1 ASP A 84 -23.722 11.169 -20.620 1.00 0.00 O ATOM 1287 OD2 ASP A 84 -22.982 11.673 -22.660 1.00 0.00 O ATOM 0 H ASP A 84 -19.149 10.056 -19.622 1.00 0.00 H new ATOM 0 HA ASP A 84 -21.827 11.184 -19.104 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.702 11.272 -21.586 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -21.372 9.653 -21.624 1.00 0.00 H new ATOM 1292 N ALA A 85 -21.996 8.884 -18.036 1.00 0.00 N ATOM 1293 CA ALA A 85 -22.336 7.567 -17.526 1.00 0.00 C ATOM 1294 C ALA A 85 -23.803 7.267 -17.838 1.00 0.00 C ATOM 1295 O ALA A 85 -24.565 8.169 -18.183 1.00 0.00 O ATOM 1296 CB ALA A 85 -22.035 7.507 -16.027 1.00 0.00 C ATOM 0 H ALA A 85 -22.162 9.650 -17.383 1.00 0.00 H new ATOM 0 HA ALA A 85 -21.732 6.800 -18.011 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -22.290 6.519 -15.644 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -20.975 7.698 -15.861 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -22.625 8.261 -15.507 1.00 0.00 H new ATOM 1302 N SER A 86 -24.155 5.996 -17.706 1.00 0.00 N ATOM 1303 CA SER A 86 -25.517 5.566 -17.971 1.00 0.00 C ATOM 1304 C SER A 86 -25.713 4.126 -17.493 1.00 0.00 C ATOM 1305 O SER A 86 -25.176 3.192 -18.088 1.00 0.00 O ATOM 1306 CB SER A 86 -25.853 5.682 -19.459 1.00 0.00 C ATOM 1307 OG SER A 86 -27.253 5.824 -19.681 1.00 0.00 O ATOM 0 H SER A 86 -23.520 5.251 -17.419 1.00 0.00 H new ATOM 0 HA SER A 86 -26.195 6.220 -17.422 1.00 0.00 H new ATOM 0 HB2 SER A 86 -25.330 6.539 -19.883 1.00 0.00 H new ATOM 0 HB3 SER A 86 -25.491 4.797 -19.982 1.00 0.00 H new ATOM 0 HG SER A 86 -27.426 5.897 -20.643 1.00 0.00 H new ATOM 1313 N SER A 87 -26.484 3.990 -16.424 1.00 0.00 N ATOM 1314 CA SER A 87 -26.757 2.679 -15.860 1.00 0.00 C ATOM 1315 C SER A 87 -26.970 1.661 -16.981 1.00 0.00 C ATOM 1316 O SER A 87 -26.245 0.672 -17.073 1.00 0.00 O ATOM 1317 CB SER A 87 -27.979 2.719 -14.940 1.00 0.00 C ATOM 1318 OG SER A 87 -27.723 2.094 -13.685 1.00 0.00 O ATOM 0 H SER A 87 -26.928 4.766 -15.934 1.00 0.00 H new ATOM 0 HA SER A 87 -25.896 2.378 -15.263 1.00 0.00 H new ATOM 0 HB2 SER A 87 -28.275 3.755 -14.775 1.00 0.00 H new ATOM 0 HB3 SER A 87 -28.817 2.222 -15.428 1.00 0.00 H new ATOM 0 HG SER A 87 -28.526 2.142 -13.126 1.00 0.00 H new ATOM 1324 N GLY A 88 -27.969 1.938 -17.807 1.00 0.00 N ATOM 1325 CA GLY A 88 -28.287 1.058 -18.919 1.00 0.00 C ATOM 1326 C GLY A 88 -28.307 -0.405 -18.472 1.00 0.00 C ATOM 1327 O GLY A 88 -27.304 -1.107 -18.589 1.00 0.00 O ATOM 0 H GLY A 88 -28.569 2.759 -17.728 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -29.258 1.328 -19.335 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -27.552 1.189 -19.713 1.00 0.00 H new ATOM 1331 N PRO A 89 -29.491 -0.832 -17.956 1.00 0.00 N ATOM 1332 CA PRO A 89 -29.655 -2.199 -17.491 1.00 0.00 C ATOM 1333 C PRO A 89 -29.779 -3.167 -18.669 1.00 0.00 C ATOM 1334 O PRO A 89 -29.862 -2.743 -19.821 1.00 0.00 O ATOM 1335 CB PRO A 89 -30.895 -2.169 -16.613 1.00 0.00 C ATOM 1336 CG PRO A 89 -31.642 -0.900 -16.990 1.00 0.00 C ATOM 1337 CD PRO A 89 -30.700 -0.028 -17.803 1.00 0.00 C ATOM 0 HA PRO A 89 -28.794 -2.559 -16.928 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -31.514 -3.051 -16.781 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -30.626 -2.165 -15.557 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -32.534 -1.140 -17.568 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -31.974 -0.373 -16.096 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -31.132 0.226 -18.771 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -30.489 0.911 -17.292 1.00 0.00 H new ATOM 1345 N SER A 90 -29.788 -4.451 -18.340 1.00 0.00 N ATOM 1346 CA SER A 90 -29.901 -5.483 -19.356 1.00 0.00 C ATOM 1347 C SER A 90 -31.000 -6.476 -18.974 1.00 0.00 C ATOM 1348 O SER A 90 -31.964 -6.657 -19.716 1.00 0.00 O ATOM 1349 CB SER A 90 -28.570 -6.213 -19.550 1.00 0.00 C ATOM 1350 OG SER A 90 -28.100 -6.119 -20.892 1.00 0.00 O ATOM 0 H SER A 90 -29.719 -4.800 -17.384 1.00 0.00 H new ATOM 0 HA SER A 90 -30.164 -5.006 -20.300 1.00 0.00 H new ATOM 0 HB2 SER A 90 -27.825 -5.793 -18.875 1.00 0.00 H new ATOM 0 HB3 SER A 90 -28.689 -7.262 -19.280 1.00 0.00 H new ATOM 0 HG SER A 90 -27.248 -6.596 -20.974 1.00 0.00 H new ATOM 1356 N SER A 91 -30.819 -7.094 -17.816 1.00 0.00 N ATOM 1357 CA SER A 91 -31.783 -8.064 -17.326 1.00 0.00 C ATOM 1358 C SER A 91 -31.452 -8.447 -15.882 1.00 0.00 C ATOM 1359 O SER A 91 -30.324 -8.259 -15.429 1.00 0.00 O ATOM 1360 CB SER A 91 -31.809 -9.310 -18.212 1.00 0.00 C ATOM 1361 OG SER A 91 -32.998 -10.073 -18.026 1.00 0.00 O ATOM 0 H SER A 91 -30.018 -6.941 -17.203 1.00 0.00 H new ATOM 0 HA SER A 91 -32.773 -7.608 -17.357 1.00 0.00 H new ATOM 0 HB2 SER A 91 -31.729 -9.013 -19.258 1.00 0.00 H new ATOM 0 HB3 SER A 91 -30.941 -9.931 -17.990 1.00 0.00 H new ATOM 0 HG SER A 91 -32.977 -10.859 -18.611 1.00 0.00 H new ATOM 1367 N GLY A 92 -32.457 -8.976 -15.199 1.00 0.00 N ATOM 1368 CA GLY A 92 -32.287 -9.387 -13.816 1.00 0.00 C ATOM 1369 C GLY A 92 -32.384 -10.908 -13.679 1.00 0.00 C ATOM 1370 O GLY A 92 -31.405 -11.618 -13.903 1.00 0.00 O ATOM 0 H GLY A 92 -33.392 -9.129 -15.578 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -31.319 -9.046 -13.448 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -33.048 -8.913 -13.196 1.00 0.00 H new TER 1374 GLY A 92