USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 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+ -143:sc= 0 (180deg=-0.578) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0826 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 171:sc= 1.25 USER MOD Single : A 9 SER OG : rot 180:sc= -0.347 USER MOD Single : A 14 TYR OH : rot 165:sc= -1.37 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 25 ASN : amide:sc= -1.82! X(o=-1.8!,f=-1.6) USER MOD Single : A 27 ASN : amide:sc= -0.164 K(o=-0.16,f=-1) USER MOD Single : A 30 GLN : amide:sc= -3.66! C(o=-3.7!,f=-7!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 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 -150:sc= -0.195 (180deg=-0.759) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.022) USER MOD Single : A 61 ASN : amide:sc= -2.88! C(o=-2.9!,f=-14!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0356 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= -0.0453 X(o=-0.045,f=-0.49) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0215 X(o=-0.021,f=-0.41) 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 -5.809 -0.556 10.239 1.00 0.00 N ATOM 2 CA GLY A 1 -6.981 0.031 10.867 1.00 0.00 C ATOM 3 C GLY A 1 -7.664 1.028 9.930 1.00 0.00 C ATOM 4 O GLY A 1 -7.100 2.074 9.613 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.732 -1.556 10.515 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.898 -0.488 9.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.957 -0.045 10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.684 -0.756 11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.690 0.534 11.789 1.00 0.00 H new ATOM 8 N SER A 2 -8.868 0.669 9.511 1.00 0.00 N ATOM 9 CA SER A 2 -9.634 1.519 8.616 1.00 0.00 C ATOM 10 C SER A 2 -8.942 1.603 7.254 1.00 0.00 C ATOM 11 O SER A 2 -8.206 2.552 6.986 1.00 0.00 O ATOM 12 CB SER A 2 -9.815 2.919 9.207 1.00 0.00 C ATOM 13 OG SER A 2 -11.120 3.105 9.748 1.00 0.00 O ATOM 0 H SER A 2 -9.332 -0.200 9.775 1.00 0.00 H new ATOM 0 HA SER A 2 -10.622 1.078 8.487 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.072 3.082 9.988 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.633 3.665 8.434 1.00 0.00 H new ATOM 0 HG SER A 2 -11.195 4.010 10.117 1.00 0.00 H new ATOM 19 N SER A 3 -9.202 0.599 6.431 1.00 0.00 N ATOM 20 CA SER A 3 -8.613 0.548 5.103 1.00 0.00 C ATOM 21 C SER A 3 -9.406 1.438 4.144 1.00 0.00 C ATOM 22 O SER A 3 -8.865 2.391 3.586 1.00 0.00 O ATOM 23 CB SER A 3 -8.565 -0.888 4.577 1.00 0.00 C ATOM 24 OG SER A 3 -7.522 -1.645 5.185 1.00 0.00 O ATOM 0 H SER A 3 -9.813 -0.186 6.657 1.00 0.00 H new ATOM 0 HA SER A 3 -7.589 0.917 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.522 -1.375 4.764 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.420 -0.874 3.497 1.00 0.00 H new ATOM 0 HG SER A 3 -7.526 -2.556 4.824 1.00 0.00 H new ATOM 30 N GLY A 4 -10.676 1.095 3.982 1.00 0.00 N ATOM 31 CA GLY A 4 -11.548 1.851 3.100 1.00 0.00 C ATOM 32 C GLY A 4 -11.882 3.219 3.699 1.00 0.00 C ATOM 33 O GLY A 4 -11.970 4.211 2.978 1.00 0.00 O ATOM 0 H GLY A 4 -11.121 0.304 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.066 1.982 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.467 1.292 2.925 1.00 0.00 H new ATOM 37 N SER A 5 -12.058 3.227 5.012 1.00 0.00 N ATOM 38 CA SER A 5 -12.380 4.456 5.717 1.00 0.00 C ATOM 39 C SER A 5 -11.418 5.569 5.294 1.00 0.00 C ATOM 40 O SER A 5 -11.830 6.713 5.109 1.00 0.00 O ATOM 41 CB SER A 5 -12.323 4.253 7.232 1.00 0.00 C ATOM 42 OG SER A 5 -13.410 4.891 7.897 1.00 0.00 O ATOM 0 H SER A 5 -11.984 2.401 5.606 1.00 0.00 H new ATOM 0 HA SER A 5 -13.398 4.744 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.337 3.186 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.382 4.647 7.615 1.00 0.00 H new ATOM 0 HG SER A 5 -13.339 4.737 8.862 1.00 0.00 H new ATOM 48 N SER A 6 -10.155 5.194 5.152 1.00 0.00 N ATOM 49 CA SER A 6 -9.132 6.146 4.755 1.00 0.00 C ATOM 50 C SER A 6 -9.397 6.633 3.329 1.00 0.00 C ATOM 51 O SER A 6 -9.199 7.809 3.025 1.00 0.00 O ATOM 52 CB SER A 6 -7.736 5.527 4.853 1.00 0.00 C ATOM 53 OG SER A 6 -7.392 4.796 3.679 1.00 0.00 O ATOM 0 H SER A 6 -9.817 4.244 5.305 1.00 0.00 H new ATOM 0 HA SER A 6 -9.172 6.996 5.436 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.001 6.315 5.018 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.693 4.865 5.718 1.00 0.00 H new ATOM 0 HG SER A 6 -6.446 4.542 3.717 1.00 0.00 H new ATOM 59 N GLY A 7 -9.840 5.706 2.493 1.00 0.00 N ATOM 60 CA GLY A 7 -10.135 6.027 1.107 1.00 0.00 C ATOM 61 C GLY A 7 -10.998 7.286 1.007 1.00 0.00 C ATOM 62 O GLY A 7 -10.996 7.965 -0.019 1.00 0.00 O ATOM 0 H GLY A 7 -10.002 4.732 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.205 6.175 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.652 5.190 0.638 1.00 0.00 H new ATOM 66 N ALA A 8 -11.716 7.560 2.086 1.00 0.00 N ATOM 67 CA ALA A 8 -12.582 8.725 2.133 1.00 0.00 C ATOM 68 C ALA A 8 -11.798 9.917 2.687 1.00 0.00 C ATOM 69 O ALA A 8 -11.986 11.048 2.243 1.00 0.00 O ATOM 70 CB ALA A 8 -13.824 8.406 2.968 1.00 0.00 C ATOM 0 H ALA A 8 -11.716 6.995 2.935 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.922 8.990 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.473 9.281 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.362 7.572 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.523 8.137 3.980 1.00 0.00 H new ATOM 76 N SER A 9 -10.936 9.621 3.649 1.00 0.00 N ATOM 77 CA SER A 9 -10.122 10.654 4.268 1.00 0.00 C ATOM 78 C SER A 9 -9.046 11.129 3.289 1.00 0.00 C ATOM 79 O SER A 9 -8.833 12.330 3.132 1.00 0.00 O ATOM 80 CB SER A 9 -9.479 10.147 5.560 1.00 0.00 C ATOM 81 OG SER A 9 -10.173 9.025 6.098 1.00 0.00 O ATOM 0 H SER A 9 -10.784 8.681 4.015 1.00 0.00 H new ATOM 0 HA SER A 9 -10.769 11.494 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.442 9.873 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.463 10.950 6.296 1.00 0.00 H new ATOM 0 HG SER A 9 -9.730 8.730 6.921 1.00 0.00 H new ATOM 87 N LEU A 10 -8.398 10.162 2.658 1.00 0.00 N ATOM 88 CA LEU A 10 -7.349 10.467 1.699 1.00 0.00 C ATOM 89 C LEU A 10 -7.817 11.596 0.779 1.00 0.00 C ATOM 90 O LEU A 10 -7.001 12.346 0.246 1.00 0.00 O ATOM 91 CB LEU A 10 -6.923 9.202 0.951 1.00 0.00 C ATOM 92 CG LEU A 10 -5.753 8.425 1.560 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.075 7.979 2.987 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.354 7.248 0.668 1.00 0.00 C ATOM 0 H LEU A 10 -8.578 9.167 2.791 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.456 10.823 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.782 8.535 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.658 9.479 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.893 9.092 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.227 7.429 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.273 8.854 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.954 7.335 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.521 6.713 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.202 6.572 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.055 7.619 -0.312 1.00 0.00 H new ATOM 106 N LEU A 11 -9.130 11.682 0.622 1.00 0.00 N ATOM 107 CA LEU A 11 -9.717 12.708 -0.224 1.00 0.00 C ATOM 108 C LEU A 11 -9.523 14.076 0.432 1.00 0.00 C ATOM 109 O LEU A 11 -9.127 15.035 -0.229 1.00 0.00 O ATOM 110 CB LEU A 11 -11.178 12.376 -0.534 1.00 0.00 C ATOM 111 CG LEU A 11 -11.421 11.083 -1.315 1.00 0.00 C ATOM 112 CD1 LEU A 11 -12.700 10.389 -0.843 1.00 0.00 C ATOM 113 CD2 LEU A 11 -11.435 11.348 -2.822 1.00 0.00 C ATOM 0 H LEU A 11 -9.804 11.058 1.066 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.211 12.742 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.724 12.316 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.606 13.204 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.594 10.402 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.849 9.473 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.613 10.146 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.551 11.053 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.609 10.413 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.230 12.055 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.475 11.765 -3.127 1.00 0.00 H new ATOM 125 N ALA A 12 -9.810 14.124 1.725 1.00 0.00 N ATOM 126 CA ALA A 12 -9.673 15.359 2.477 1.00 0.00 C ATOM 127 C ALA A 12 -8.207 15.550 2.872 1.00 0.00 C ATOM 128 O ALA A 12 -7.646 16.629 2.685 1.00 0.00 O ATOM 129 CB ALA A 12 -10.603 15.324 3.691 1.00 0.00 C ATOM 0 H ALA A 12 -10.137 13.327 2.271 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.965 16.214 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.500 16.251 4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.635 15.216 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.338 14.480 4.328 1.00 0.00 H new ATOM 135 N ARG A 13 -7.628 14.486 3.409 1.00 0.00 N ATOM 136 CA ARG A 13 -6.238 14.523 3.831 1.00 0.00 C ATOM 137 C ARG A 13 -5.346 14.989 2.679 1.00 0.00 C ATOM 138 O ARG A 13 -4.609 15.965 2.815 1.00 0.00 O ATOM 139 CB ARG A 13 -5.770 13.146 4.305 1.00 0.00 C ATOM 140 CG ARG A 13 -5.516 13.143 5.814 1.00 0.00 C ATOM 141 CD ARG A 13 -4.623 11.968 6.217 1.00 0.00 C ATOM 142 NE ARG A 13 -4.273 12.067 7.652 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.115 11.775 8.652 1.00 0.00 C ATOM 144 NH1 ARG A 13 -6.362 11.364 8.380 1.00 0.00 N ATOM 145 NH2 ARG A 13 -4.712 11.894 9.924 1.00 0.00 N ATOM 0 H ARG A 13 -8.096 13.593 3.562 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.162 15.226 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.522 12.397 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.857 12.867 3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.045 14.081 6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.465 13.082 6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.137 11.027 6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.716 11.966 5.612 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.332 12.377 7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.669 11.274 7.412 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.003 11.142 9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.764 12.207 10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.354 11.672 10.685 1.00 0.00 H new ATOM 159 N TYR A 14 -5.441 14.270 1.570 1.00 0.00 N ATOM 160 CA TYR A 14 -4.652 14.598 0.395 1.00 0.00 C ATOM 161 C TYR A 14 -5.535 15.168 -0.717 1.00 0.00 C ATOM 162 O TYR A 14 -6.737 14.912 -0.752 1.00 0.00 O ATOM 163 CB TYR A 14 -4.039 13.280 -0.082 1.00 0.00 C ATOM 164 CG TYR A 14 -3.097 12.628 0.933 1.00 0.00 C ATOM 165 CD1 TYR A 14 -1.761 12.972 0.954 1.00 0.00 C ATOM 166 CD2 TYR A 14 -3.584 11.697 1.828 1.00 0.00 C ATOM 167 CE1 TYR A 14 -0.874 12.359 1.909 1.00 0.00 C ATOM 168 CE2 TYR A 14 -2.698 11.084 2.783 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.387 11.445 2.776 1.00 0.00 C ATOM 170 OH TYR A 14 -0.550 10.866 3.678 1.00 0.00 O ATOM 0 H TYR A 14 -6.053 13.461 1.461 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.898 15.347 0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.842 12.582 -0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.491 13.460 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.380 13.701 0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.630 11.428 1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.174 12.619 1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.066 10.354 3.489 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.077 10.426 4.378 1.00 0.00 H new ATOM 180 N PRO A 15 -4.887 15.950 -1.621 1.00 0.00 N ATOM 181 CA PRO A 15 -5.600 16.559 -2.731 1.00 0.00 C ATOM 182 C PRO A 15 -5.924 15.522 -3.809 1.00 0.00 C ATOM 183 O PRO A 15 -5.473 14.380 -3.732 1.00 0.00 O ATOM 184 CB PRO A 15 -4.684 17.665 -3.228 1.00 0.00 C ATOM 185 CG PRO A 15 -3.302 17.338 -2.685 1.00 0.00 C ATOM 186 CD PRO A 15 -3.463 16.275 -1.610 1.00 0.00 C ATOM 0 HA PRO A 15 -6.568 16.964 -2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.676 17.705 -4.317 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.022 18.640 -2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.653 16.978 -3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.833 18.231 -2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.855 15.397 -1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.149 16.647 -0.635 1.00 0.00 H new ATOM 194 N PRO A 16 -6.723 15.969 -4.814 1.00 0.00 N ATOM 195 CA PRO A 16 -7.113 15.093 -5.906 1.00 0.00 C ATOM 196 C PRO A 16 -5.951 14.878 -6.878 1.00 0.00 C ATOM 197 O PRO A 16 -5.829 13.813 -7.480 1.00 0.00 O ATOM 198 CB PRO A 16 -8.309 15.775 -6.550 1.00 0.00 C ATOM 199 CG PRO A 16 -8.257 17.224 -6.095 1.00 0.00 C ATOM 200 CD PRO A 16 -7.276 17.314 -4.938 1.00 0.00 C ATOM 0 HA PRO A 16 -7.378 14.091 -5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.260 15.705 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.241 15.302 -6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.942 17.870 -6.914 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.246 17.562 -5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.494 18.046 -5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.775 17.623 -4.019 1.00 0.00 H new ATOM 208 N GLU A 17 -5.127 15.909 -7.002 1.00 0.00 N ATOM 209 CA GLU A 17 -3.980 15.847 -7.891 1.00 0.00 C ATOM 210 C GLU A 17 -2.901 14.935 -7.303 1.00 0.00 C ATOM 211 O GLU A 17 -1.879 14.685 -7.940 1.00 0.00 O ATOM 212 CB GLU A 17 -3.425 17.245 -8.168 1.00 0.00 C ATOM 213 CG GLU A 17 -2.726 17.813 -6.931 1.00 0.00 C ATOM 214 CD GLU A 17 -2.691 19.342 -6.974 1.00 0.00 C ATOM 215 OE1 GLU A 17 -1.951 19.869 -7.832 1.00 0.00 O ATOM 216 OE2 GLU A 17 -3.405 19.949 -6.147 1.00 0.00 O ATOM 0 H GLU A 17 -5.232 16.792 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.305 15.426 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.722 17.203 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.235 17.909 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.246 17.483 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.709 17.424 -6.873 1.00 0.00 H new ATOM 223 N LYS A 18 -3.165 14.464 -6.093 1.00 0.00 N ATOM 224 CA LYS A 18 -2.230 13.585 -5.412 1.00 0.00 C ATOM 225 C LYS A 18 -2.973 12.345 -4.911 1.00 0.00 C ATOM 226 O LYS A 18 -2.464 11.610 -4.066 1.00 0.00 O ATOM 227 CB LYS A 18 -1.488 14.344 -4.309 1.00 0.00 C ATOM 228 CG LYS A 18 -0.919 15.662 -4.839 1.00 0.00 C ATOM 229 CD LYS A 18 -0.054 16.350 -3.781 1.00 0.00 C ATOM 230 CE LYS A 18 0.982 17.268 -4.432 1.00 0.00 C ATOM 231 NZ LYS A 18 2.186 17.379 -3.577 1.00 0.00 N ATOM 0 H LYS A 18 -4.013 14.675 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.461 13.239 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.167 14.544 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.680 13.726 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.325 15.472 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.735 16.323 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.687 16.929 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.451 15.598 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.259 16.877 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.551 18.256 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.879 18.006 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.920 17.773 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.606 16.437 -3.444 1.00 0.00 H new ATOM 245 N LEU A 19 -4.166 12.150 -5.454 1.00 0.00 N ATOM 246 CA LEU A 19 -4.985 11.012 -5.073 1.00 0.00 C ATOM 247 C LEU A 19 -4.750 9.867 -6.061 1.00 0.00 C ATOM 248 O LEU A 19 -5.146 9.954 -7.222 1.00 0.00 O ATOM 249 CB LEU A 19 -6.453 11.426 -4.948 1.00 0.00 C ATOM 250 CG LEU A 19 -6.968 11.648 -3.525 1.00 0.00 C ATOM 251 CD1 LEU A 19 -8.454 12.012 -3.531 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.680 10.433 -2.641 1.00 0.00 C ATOM 0 H LEU A 19 -4.585 12.761 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.696 10.647 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.600 12.346 -5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.068 10.660 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.430 12.493 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.795 12.165 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.602 12.928 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.025 11.203 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.057 10.618 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.173 9.555 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.605 10.260 -2.600 1.00 0.00 H new ATOM 264 N PHE A 20 -4.107 8.821 -5.563 1.00 0.00 N ATOM 265 CA PHE A 20 -3.815 7.661 -6.387 1.00 0.00 C ATOM 266 C PHE A 20 -4.265 6.371 -5.697 1.00 0.00 C ATOM 267 O PHE A 20 -4.134 6.235 -4.482 1.00 0.00 O ATOM 268 CB PHE A 20 -2.298 7.620 -6.580 1.00 0.00 C ATOM 269 CG PHE A 20 -1.765 8.673 -7.554 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.538 9.943 -7.124 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.520 8.339 -8.849 1.00 0.00 C ATOM 272 CE1 PHE A 20 -1.044 10.920 -8.027 1.00 0.00 C ATOM 273 CE2 PHE A 20 -1.026 9.317 -9.753 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.798 10.587 -9.323 1.00 0.00 C ATOM 0 H PHE A 20 -3.780 8.753 -4.599 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.344 7.737 -7.337 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.815 7.758 -5.612 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.015 6.631 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.734 10.208 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.701 7.330 -9.190 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.863 11.928 -7.685 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.831 9.052 -10.782 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.422 11.331 -10.010 1.00 0.00 H new ATOM 284 N GLN A 21 -4.786 5.458 -6.503 1.00 0.00 N ATOM 285 CA GLN A 21 -5.256 4.184 -5.986 1.00 0.00 C ATOM 286 C GLN A 21 -4.257 3.074 -6.320 1.00 0.00 C ATOM 287 O GLN A 21 -3.365 3.265 -7.145 1.00 0.00 O ATOM 288 CB GLN A 21 -6.647 3.851 -6.529 1.00 0.00 C ATOM 289 CG GLN A 21 -7.452 3.037 -5.514 1.00 0.00 C ATOM 290 CD GLN A 21 -8.943 3.055 -5.856 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.350 3.391 -6.956 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.732 2.676 -4.855 1.00 0.00 N ATOM 0 H GLN A 21 -4.893 5.575 -7.511 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.334 4.261 -4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.179 4.772 -6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.553 3.289 -7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.091 2.009 -5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.300 3.443 -4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.326 2.407 -3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.744 2.654 -4.983 1.00 0.00 H new ATOM 301 N ALA A 22 -4.439 1.940 -5.661 1.00 0.00 N ATOM 302 CA ALA A 22 -3.565 0.799 -5.877 1.00 0.00 C ATOM 303 C ALA A 22 -4.041 0.023 -7.106 1.00 0.00 C ATOM 304 O ALA A 22 -5.082 -0.631 -7.067 1.00 0.00 O ATOM 305 CB ALA A 22 -3.534 -0.067 -4.616 1.00 0.00 C ATOM 0 H ALA A 22 -5.179 1.786 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.544 1.129 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.879 -0.923 -4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.161 0.523 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.541 -0.419 -4.391 1.00 0.00 H new ATOM 311 N GLU A 23 -3.256 0.122 -8.169 1.00 0.00 N ATOM 312 CA GLU A 23 -3.585 -0.563 -9.408 1.00 0.00 C ATOM 313 C GLU A 23 -3.756 -2.063 -9.156 1.00 0.00 C ATOM 314 O GLU A 23 -4.655 -2.691 -9.713 1.00 0.00 O ATOM 315 CB GLU A 23 -2.520 -0.304 -10.476 1.00 0.00 C ATOM 316 CG GLU A 23 -3.136 0.344 -11.718 1.00 0.00 C ATOM 317 CD GLU A 23 -2.049 0.884 -12.650 1.00 0.00 C ATOM 318 OE1 GLU A 23 -0.930 0.329 -12.599 1.00 0.00 O ATOM 319 OE2 GLU A 23 -2.363 1.839 -13.394 1.00 0.00 O ATOM 0 H GLU A 23 -2.394 0.666 -8.198 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.530 -0.167 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.743 0.344 -10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.040 -1.243 -10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.746 -0.387 -12.249 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.799 1.155 -11.418 1.00 0.00 H new ATOM 326 N ARG A 24 -2.878 -2.593 -8.317 1.00 0.00 N ATOM 327 CA ARG A 24 -2.921 -4.007 -7.985 1.00 0.00 C ATOM 328 C ARG A 24 -2.393 -4.236 -6.567 1.00 0.00 C ATOM 329 O ARG A 24 -1.839 -3.325 -5.953 1.00 0.00 O ATOM 330 CB ARG A 24 -2.088 -4.830 -8.970 1.00 0.00 C ATOM 331 CG ARG A 24 -0.690 -4.231 -9.141 1.00 0.00 C ATOM 332 CD ARG A 24 0.267 -5.243 -9.772 1.00 0.00 C ATOM 333 NE ARG A 24 1.234 -4.546 -10.650 1.00 0.00 N ATOM 334 CZ ARG A 24 0.889 -3.824 -11.724 1.00 0.00 C ATOM 335 NH1 ARG A 24 -0.402 -3.699 -12.061 1.00 0.00 N ATOM 336 NH2 ARG A 24 1.834 -3.226 -12.462 1.00 0.00 N ATOM 0 H ARG A 24 -2.133 -2.069 -7.858 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.960 -4.330 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.006 -5.857 -8.613 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.592 -4.867 -9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.746 -3.340 -9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.304 -3.916 -8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.799 -5.788 -8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.296 -5.978 -10.348 1.00 0.00 H new ATOM 0 HE ARG A 24 2.226 -4.620 -10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.122 -4.154 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.665 -3.149 -12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.817 -3.321 -12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.571 -2.676 -13.280 1.00 0.00 H new ATOM 350 N ASN A 25 -2.584 -5.456 -6.089 1.00 0.00 N ATOM 351 CA ASN A 25 -2.135 -5.816 -4.754 1.00 0.00 C ATOM 352 C ASN A 25 -0.614 -5.665 -4.675 1.00 0.00 C ATOM 353 O ASN A 25 0.122 -6.420 -5.309 1.00 0.00 O ATOM 354 CB ASN A 25 -2.483 -7.269 -4.429 1.00 0.00 C ATOM 355 CG ASN A 25 -3.635 -7.345 -3.425 1.00 0.00 C ATOM 356 OD1 ASN A 25 -3.456 -7.651 -2.257 1.00 0.00 O ATOM 357 ND2 ASN A 25 -4.824 -7.051 -3.943 1.00 0.00 N ATOM 0 H ASN A 25 -3.044 -6.208 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.633 -5.158 -4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.758 -7.794 -5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.607 -7.774 -4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.657 -7.074 -3.354 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.903 -6.803 -4.929 1.00 0.00 H new ATOM 364 N PHE A 26 -0.188 -4.685 -3.892 1.00 0.00 N ATOM 365 CA PHE A 26 1.231 -4.425 -3.722 1.00 0.00 C ATOM 366 C PHE A 26 1.787 -5.188 -2.518 1.00 0.00 C ATOM 367 O PHE A 26 1.225 -5.125 -1.426 1.00 0.00 O ATOM 368 CB PHE A 26 1.385 -2.923 -3.475 1.00 0.00 C ATOM 369 CG PHE A 26 2.837 -2.458 -3.352 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.530 -2.690 -2.204 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.436 -1.814 -4.389 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.878 -2.258 -2.089 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.784 -1.383 -4.274 1.00 0.00 C ATOM 374 CZ PHE A 26 5.476 -1.614 -3.126 1.00 0.00 C ATOM 0 H PHE A 26 -0.801 -4.061 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 26 1.777 -4.749 -4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.908 -2.380 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.851 -2.659 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.055 -3.203 -1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.886 -1.630 -5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.428 -2.441 -1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.260 -0.872 -5.098 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.501 -1.286 -3.038 1.00 0.00 H new ATOM 384 N ASN A 27 2.885 -5.890 -2.758 1.00 0.00 N ATOM 385 CA ASN A 27 3.523 -6.664 -1.707 1.00 0.00 C ATOM 386 C ASN A 27 4.833 -5.983 -1.303 1.00 0.00 C ATOM 387 O ASN A 27 5.755 -5.874 -2.110 1.00 0.00 O ATOM 388 CB ASN A 27 3.854 -8.078 -2.187 1.00 0.00 C ATOM 389 CG ASN A 27 2.898 -9.103 -1.574 1.00 0.00 C ATOM 390 OD1 ASN A 27 2.461 -8.983 -0.441 1.00 0.00 O ATOM 391 ND2 ASN A 27 2.599 -10.115 -2.383 1.00 0.00 N ATOM 0 H ASN A 27 3.349 -5.939 -3.665 1.00 0.00 H new ATOM 0 HA ASN A 27 2.834 -6.722 -0.865 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.790 -8.121 -3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.881 -8.326 -1.918 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.969 -10.852 -2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.000 -10.154 -3.320 1.00 0.00 H new ATOM 398 N ALA A 28 4.873 -5.543 -0.054 1.00 0.00 N ATOM 399 CA ALA A 28 6.054 -4.877 0.468 1.00 0.00 C ATOM 400 C ALA A 28 7.287 -5.735 0.180 1.00 0.00 C ATOM 401 O ALA A 28 7.327 -6.911 0.539 1.00 0.00 O ATOM 402 CB ALA A 28 5.869 -4.603 1.962 1.00 0.00 C ATOM 0 H ALA A 28 4.106 -5.635 0.612 1.00 0.00 H new ATOM 0 HA ALA A 28 6.200 -3.915 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.755 -4.103 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.998 -3.965 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.722 -5.546 2.489 1.00 0.00 H new ATOM 408 N ALA A 29 8.264 -5.114 -0.464 1.00 0.00 N ATOM 409 CA ALA A 29 9.496 -5.807 -0.803 1.00 0.00 C ATOM 410 C ALA A 29 10.623 -5.309 0.104 1.00 0.00 C ATOM 411 O ALA A 29 11.484 -6.085 0.514 1.00 0.00 O ATOM 412 CB ALA A 29 9.806 -5.599 -2.287 1.00 0.00 C ATOM 0 H ALA A 29 8.228 -4.139 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 29 9.391 -6.879 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.730 -6.118 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.988 -5.996 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.921 -4.534 -2.489 1.00 0.00 H new ATOM 418 N GLN A 30 10.580 -4.016 0.391 1.00 0.00 N ATOM 419 CA GLN A 30 11.587 -3.405 1.241 1.00 0.00 C ATOM 420 C GLN A 30 11.051 -3.240 2.665 1.00 0.00 C ATOM 421 O GLN A 30 9.951 -3.696 2.974 1.00 0.00 O ATOM 422 CB GLN A 30 12.046 -2.062 0.670 1.00 0.00 C ATOM 423 CG GLN A 30 12.902 -2.262 -0.583 1.00 0.00 C ATOM 424 CD GLN A 30 12.467 -1.314 -1.702 1.00 0.00 C ATOM 425 OE1 GLN A 30 13.234 -0.506 -2.199 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.196 -1.456 -2.068 1.00 0.00 N ATOM 0 H GLN A 30 9.864 -3.375 0.050 1.00 0.00 H new ATOM 0 HA GLN A 30 12.454 -4.064 1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.177 -1.450 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.618 -1.519 1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.951 -2.089 -0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.819 -3.294 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.608 -2.153 -1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.809 -0.868 -2.806 1.00 0.00 H new ATOM 435 N ASP A 31 11.852 -2.587 3.493 1.00 0.00 N ATOM 436 CA ASP A 31 11.472 -2.356 4.876 1.00 0.00 C ATOM 437 C ASP A 31 10.669 -1.057 4.970 1.00 0.00 C ATOM 438 O ASP A 31 9.983 -0.817 5.963 1.00 0.00 O ATOM 439 CB ASP A 31 12.705 -2.216 5.771 1.00 0.00 C ATOM 440 CG ASP A 31 13.307 -3.537 6.254 1.00 0.00 C ATOM 441 OD1 ASP A 31 13.981 -4.189 5.427 1.00 0.00 O ATOM 442 OD2 ASP A 31 13.080 -3.865 7.438 1.00 0.00 O ATOM 0 H ASP A 31 12.763 -2.210 3.233 1.00 0.00 H new ATOM 0 HA ASP A 31 10.880 -3.208 5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.470 -1.663 5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.438 -1.616 6.641 1.00 0.00 H new ATOM 447 N LEU A 32 10.782 -0.252 3.924 1.00 0.00 N ATOM 448 CA LEU A 32 10.075 1.017 3.876 1.00 0.00 C ATOM 449 C LEU A 32 8.736 0.823 3.161 1.00 0.00 C ATOM 450 O LEU A 32 7.857 1.680 3.239 1.00 0.00 O ATOM 451 CB LEU A 32 10.957 2.097 3.248 1.00 0.00 C ATOM 452 CG LEU A 32 12.133 2.582 4.099 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.816 3.789 3.454 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.688 2.874 5.533 1.00 0.00 C ATOM 0 H LEU A 32 11.353 -0.454 3.103 1.00 0.00 H new ATOM 0 HA LEU A 32 9.851 1.367 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.350 1.715 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.330 2.956 3.007 1.00 0.00 H new ATOM 0 HG LEU A 32 12.872 1.782 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.648 4.113 4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.189 3.512 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.098 4.603 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.542 3.217 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.920 3.647 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.284 1.966 5.981 1.00 0.00 H new ATOM 466 N ASP A 33 8.624 -0.308 2.479 1.00 0.00 N ATOM 467 CA ASP A 33 7.407 -0.624 1.751 1.00 0.00 C ATOM 468 C ASP A 33 6.366 -1.181 2.724 1.00 0.00 C ATOM 469 O ASP A 33 6.717 -1.757 3.752 1.00 0.00 O ATOM 470 CB ASP A 33 7.667 -1.685 0.679 1.00 0.00 C ATOM 471 CG ASP A 33 8.497 -1.208 -0.515 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.338 -0.309 -0.298 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.270 -1.752 -1.617 1.00 0.00 O ATOM 0 H ASP A 33 9.356 -1.016 2.415 1.00 0.00 H new ATOM 0 HA ASP A 33 7.051 0.290 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.176 -2.530 1.142 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.708 -2.052 0.312 1.00 0.00 H new ATOM 478 N VAL A 34 5.105 -0.989 2.364 1.00 0.00 N ATOM 479 CA VAL A 34 4.010 -1.465 3.192 1.00 0.00 C ATOM 480 C VAL A 34 2.984 -2.180 2.312 1.00 0.00 C ATOM 481 O VAL A 34 2.711 -1.747 1.194 1.00 0.00 O ATOM 482 CB VAL A 34 3.410 -0.302 3.985 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.508 0.540 4.639 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.512 0.562 3.097 1.00 0.00 C ATOM 0 H VAL A 34 4.818 -0.510 1.510 1.00 0.00 H new ATOM 0 HA VAL A 34 4.371 -2.188 3.923 1.00 0.00 H new ATOM 0 HB VAL A 34 2.792 -0.722 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.055 1.360 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.088 -0.084 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.164 0.944 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.098 1.381 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.098 0.967 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.699 -0.046 2.700 1.00 0.00 H new ATOM 494 N SER A 35 2.443 -3.264 2.850 1.00 0.00 N ATOM 495 CA SER A 35 1.452 -4.043 2.127 1.00 0.00 C ATOM 496 C SER A 35 0.206 -3.195 1.867 1.00 0.00 C ATOM 497 O SER A 35 -0.358 -2.614 2.793 1.00 0.00 O ATOM 498 CB SER A 35 1.080 -5.312 2.898 1.00 0.00 C ATOM 499 OG SER A 35 2.188 -6.196 3.039 1.00 0.00 O ATOM 0 H SER A 35 2.672 -3.621 3.778 1.00 0.00 H new ATOM 0 HA SER A 35 1.884 -4.343 1.172 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.706 -5.040 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.270 -5.826 2.381 1.00 0.00 H new ATOM 0 HG SER A 35 1.910 -6.992 3.538 1.00 0.00 H new ATOM 505 N LEU A 36 -0.187 -3.150 0.602 1.00 0.00 N ATOM 506 CA LEU A 36 -1.356 -2.382 0.209 1.00 0.00 C ATOM 507 C LEU A 36 -2.355 -3.304 -0.492 1.00 0.00 C ATOM 508 O LEU A 36 -2.049 -4.465 -0.762 1.00 0.00 O ATOM 509 CB LEU A 36 -0.944 -1.170 -0.630 1.00 0.00 C ATOM 510 CG LEU A 36 -0.136 -0.094 0.097 1.00 0.00 C ATOM 511 CD1 LEU A 36 0.078 1.129 -0.797 1.00 0.00 C ATOM 512 CD2 LEU A 36 -0.792 0.278 1.429 1.00 0.00 C ATOM 0 H LEU A 36 0.283 -3.633 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.858 -1.977 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.359 -1.523 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.846 -0.709 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 36 0.848 -0.502 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.655 1.879 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.620 0.833 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.888 1.548 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.198 1.045 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.797 0.659 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.850 -0.605 2.065 1.00 0.00 H new ATOM 524 N LEU A 37 -3.528 -2.754 -0.767 1.00 0.00 N ATOM 525 CA LEU A 37 -4.574 -3.513 -1.432 1.00 0.00 C ATOM 526 C LEU A 37 -4.980 -2.794 -2.720 1.00 0.00 C ATOM 527 O LEU A 37 -5.151 -1.576 -2.727 1.00 0.00 O ATOM 528 CB LEU A 37 -5.741 -3.768 -0.476 1.00 0.00 C ATOM 529 CG LEU A 37 -5.478 -4.768 0.652 1.00 0.00 C ATOM 530 CD1 LEU A 37 -6.783 -5.177 1.337 1.00 0.00 C ATOM 531 CD2 LEU A 37 -4.696 -5.979 0.139 1.00 0.00 C ATOM 0 H LEU A 37 -3.778 -1.791 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.206 -4.498 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.034 -2.817 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.591 -4.123 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.859 -4.280 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.568 -5.888 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.265 -4.295 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.447 -5.640 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.522 -6.674 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.269 -6.477 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.739 -5.649 -0.266 1.00 0.00 H new ATOM 543 N GLU A 38 -5.122 -3.579 -3.778 1.00 0.00 N ATOM 544 CA GLU A 38 -5.505 -3.032 -5.069 1.00 0.00 C ATOM 545 C GLU A 38 -6.779 -2.196 -4.934 1.00 0.00 C ATOM 546 O GLU A 38 -7.071 -1.362 -5.790 1.00 0.00 O ATOM 547 CB GLU A 38 -5.685 -4.145 -6.103 1.00 0.00 C ATOM 548 CG GLU A 38 -6.741 -5.153 -5.645 1.00 0.00 C ATOM 549 CD GLU A 38 -6.961 -6.236 -6.704 1.00 0.00 C ATOM 550 OE1 GLU A 38 -7.604 -5.909 -7.725 1.00 0.00 O ATOM 551 OE2 GLU A 38 -6.481 -7.365 -6.469 1.00 0.00 O ATOM 0 H GLU A 38 -4.979 -4.589 -3.768 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.704 -2.382 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.980 -3.713 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.735 -4.655 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.427 -5.614 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.680 -4.637 -5.447 1.00 0.00 H new ATOM 558 N GLY A 39 -7.503 -2.449 -3.854 1.00 0.00 N ATOM 559 CA GLY A 39 -8.739 -1.730 -3.597 1.00 0.00 C ATOM 560 C GLY A 39 -8.499 -0.543 -2.661 1.00 0.00 C ATOM 561 O GLY A 39 -9.370 0.310 -2.498 1.00 0.00 O ATOM 0 H GLY A 39 -7.257 -3.142 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.160 -1.376 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.471 -2.405 -3.154 1.00 0.00 H new ATOM 565 N ASP A 40 -7.312 -0.526 -2.072 1.00 0.00 N ATOM 566 CA ASP A 40 -6.946 0.542 -1.157 1.00 0.00 C ATOM 567 C ASP A 40 -6.473 1.755 -1.960 1.00 0.00 C ATOM 568 O ASP A 40 -5.986 1.611 -3.081 1.00 0.00 O ATOM 569 CB ASP A 40 -5.804 0.110 -0.236 1.00 0.00 C ATOM 570 CG ASP A 40 -6.237 -0.655 1.016 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.465 -0.726 1.242 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.331 -1.152 1.720 1.00 0.00 O ATOM 0 H ASP A 40 -6.592 -1.235 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.822 0.786 -0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.115 -0.514 -0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.250 0.997 0.072 1.00 0.00 H new ATOM 577 N LEU A 41 -6.633 2.923 -1.356 1.00 0.00 N ATOM 578 CA LEU A 41 -6.228 4.161 -2.001 1.00 0.00 C ATOM 579 C LEU A 41 -5.108 4.812 -1.187 1.00 0.00 C ATOM 580 O LEU A 41 -5.079 4.700 0.037 1.00 0.00 O ATOM 581 CB LEU A 41 -7.438 5.072 -2.219 1.00 0.00 C ATOM 582 CG LEU A 41 -7.201 6.303 -3.096 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.635 6.040 -4.539 1.00 0.00 C ATOM 584 CD2 LEU A 41 -7.888 7.537 -2.507 1.00 0.00 C ATOM 0 H LEU A 41 -7.038 3.039 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.826 3.959 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.237 4.481 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.795 5.407 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.131 6.508 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.456 6.931 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.062 5.206 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.697 5.795 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.704 8.398 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.961 7.358 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.489 7.735 -1.512 1.00 0.00 H new ATOM 596 N VAL A 42 -4.212 5.478 -1.901 1.00 0.00 N ATOM 597 CA VAL A 42 -3.092 6.147 -1.261 1.00 0.00 C ATOM 598 C VAL A 42 -2.983 7.576 -1.797 1.00 0.00 C ATOM 599 O VAL A 42 -3.513 7.885 -2.863 1.00 0.00 O ATOM 600 CB VAL A 42 -1.812 5.333 -1.463 1.00 0.00 C ATOM 601 CG1 VAL A 42 -1.988 3.900 -0.958 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.378 5.349 -2.930 1.00 0.00 C ATOM 0 H VAL A 42 -4.239 5.569 -2.917 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.252 6.215 -0.185 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.022 5.800 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.064 3.343 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.228 3.916 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.798 3.418 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.466 4.763 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.167 4.919 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.192 6.376 -3.243 1.00 0.00 H new ATOM 612 N GLY A 43 -2.292 8.409 -1.033 1.00 0.00 N ATOM 613 CA GLY A 43 -2.106 9.798 -1.418 1.00 0.00 C ATOM 614 C GLY A 43 -0.619 10.145 -1.520 1.00 0.00 C ATOM 615 O GLY A 43 0.078 10.205 -0.509 1.00 0.00 O ATOM 0 H GLY A 43 -1.854 8.149 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.592 9.982 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.586 10.449 -0.687 1.00 0.00 H new ATOM 619 N VAL A 44 -0.178 10.363 -2.750 1.00 0.00 N ATOM 620 CA VAL A 44 1.213 10.702 -2.997 1.00 0.00 C ATOM 621 C VAL A 44 1.699 11.665 -1.912 1.00 0.00 C ATOM 622 O VAL A 44 1.034 12.655 -1.612 1.00 0.00 O ATOM 623 CB VAL A 44 1.371 11.266 -4.411 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.700 12.008 -4.560 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.239 10.160 -5.460 1.00 0.00 C ATOM 0 H VAL A 44 -0.759 10.311 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 44 1.838 9.811 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 44 0.567 11.983 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.787 12.399 -5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.738 12.833 -3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.524 11.322 -4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.355 10.587 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.011 9.408 -5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.257 9.695 -5.377 1.00 0.00 H new ATOM 635 N ILE A 45 2.856 11.340 -1.353 1.00 0.00 N ATOM 636 CA ILE A 45 3.439 12.164 -0.308 1.00 0.00 C ATOM 637 C ILE A 45 4.636 12.929 -0.875 1.00 0.00 C ATOM 638 O ILE A 45 4.716 14.149 -0.745 1.00 0.00 O ATOM 639 CB ILE A 45 3.777 11.313 0.918 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.508 10.763 1.572 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.638 12.099 1.910 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.848 9.728 2.646 1.00 0.00 C ATOM 0 H ILE A 45 3.405 10.518 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 45 2.720 12.908 0.037 1.00 0.00 H new ATOM 0 HB ILE A 45 4.365 10.457 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.940 11.580 2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.871 10.309 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.864 11.472 2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.567 12.400 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.096 12.986 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.928 9.353 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.394 8.900 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.464 10.192 3.416 1.00 0.00 H new ATOM 654 N LYS A 46 5.538 12.179 -1.492 1.00 0.00 N ATOM 655 CA LYS A 46 6.727 12.771 -2.080 1.00 0.00 C ATOM 656 C LYS A 46 7.044 12.066 -3.400 1.00 0.00 C ATOM 657 O LYS A 46 6.935 10.844 -3.497 1.00 0.00 O ATOM 658 CB LYS A 46 7.885 12.753 -1.080 1.00 0.00 C ATOM 659 CG LYS A 46 7.979 14.081 -0.326 1.00 0.00 C ATOM 660 CD LYS A 46 9.186 14.094 0.614 1.00 0.00 C ATOM 661 CE LYS A 46 8.797 13.612 2.013 1.00 0.00 C ATOM 662 NZ LYS A 46 9.895 13.865 2.972 1.00 0.00 N ATOM 0 H LYS A 46 5.469 11.167 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 46 6.553 13.822 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.745 11.937 -0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.821 12.562 -1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.059 14.902 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.066 14.243 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.972 13.455 0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.594 15.103 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.893 14.125 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.568 12.547 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.615 13.532 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.748 13.356 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.095 14.885 3.010 1.00 0.00 H new ATOM 676 N LYS A 47 7.429 12.865 -4.384 1.00 0.00 N ATOM 677 CA LYS A 47 7.763 12.332 -5.694 1.00 0.00 C ATOM 678 C LYS A 47 9.268 12.068 -5.765 1.00 0.00 C ATOM 679 O LYS A 47 9.833 11.960 -6.852 1.00 0.00 O ATOM 680 CB LYS A 47 7.249 13.261 -6.797 1.00 0.00 C ATOM 681 CG LYS A 47 5.720 13.304 -6.809 1.00 0.00 C ATOM 682 CD LYS A 47 5.202 14.028 -8.054 1.00 0.00 C ATOM 683 CE LYS A 47 3.762 13.618 -8.367 1.00 0.00 C ATOM 684 NZ LYS A 47 3.056 14.706 -9.079 1.00 0.00 N ATOM 0 H LYS A 47 7.517 13.878 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 47 7.264 11.376 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.643 14.266 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.614 12.919 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.324 12.289 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.360 13.810 -5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.252 15.106 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.843 13.798 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.759 12.715 -8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.236 13.380 -7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.080 14.411 -9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.042 15.559 -8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.549 14.914 -9.971 1.00 0.00 H new ATOM 698 N LYS A 48 9.875 11.971 -4.591 1.00 0.00 N ATOM 699 CA LYS A 48 11.304 11.721 -4.506 1.00 0.00 C ATOM 700 C LYS A 48 11.633 11.135 -3.131 1.00 0.00 C ATOM 701 O LYS A 48 11.061 11.546 -2.123 1.00 0.00 O ATOM 702 CB LYS A 48 12.090 12.991 -4.837 1.00 0.00 C ATOM 703 CG LYS A 48 13.589 12.781 -4.612 1.00 0.00 C ATOM 704 CD LYS A 48 14.382 13.077 -5.887 1.00 0.00 C ATOM 705 CE LYS A 48 15.122 14.411 -5.776 1.00 0.00 C ATOM 706 NZ LYS A 48 14.516 15.417 -6.676 1.00 0.00 N ATOM 0 H LYS A 48 9.403 12.061 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 48 11.607 10.983 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.910 13.275 -5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.737 13.814 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.934 13.429 -3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.772 11.754 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.097 12.275 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.706 13.102 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.088 14.768 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.173 14.273 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.031 16.316 -6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.571 15.081 -7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.520 15.561 -6.415 1.00 0.00 H new ATOM 720 N ASP A 49 12.555 10.183 -3.135 1.00 0.00 N ATOM 721 CA ASP A 49 12.968 9.535 -1.902 1.00 0.00 C ATOM 722 C ASP A 49 14.362 10.031 -1.513 1.00 0.00 C ATOM 723 O ASP A 49 15.014 10.731 -2.285 1.00 0.00 O ATOM 724 CB ASP A 49 13.037 8.017 -2.073 1.00 0.00 C ATOM 725 CG ASP A 49 12.829 7.517 -3.504 1.00 0.00 C ATOM 726 OD1 ASP A 49 13.427 8.132 -4.413 1.00 0.00 O ATOM 727 OD2 ASP A 49 12.076 6.531 -3.657 1.00 0.00 O ATOM 0 H ASP A 49 13.028 9.845 -3.973 1.00 0.00 H new ATOM 0 HA ASP A 49 12.235 9.778 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.009 7.671 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.284 7.560 -1.431 1.00 0.00 H new ATOM 732 N PRO A 50 14.789 9.638 -0.283 1.00 0.00 N ATOM 733 CA PRO A 50 16.094 10.035 0.219 1.00 0.00 C ATOM 734 C PRO A 50 17.208 9.237 -0.462 1.00 0.00 C ATOM 735 O PRO A 50 18.377 9.614 -0.393 1.00 0.00 O ATOM 736 CB PRO A 50 16.027 9.801 1.719 1.00 0.00 C ATOM 737 CG PRO A 50 14.860 8.851 1.941 1.00 0.00 C ATOM 738 CD PRO A 50 14.044 8.808 0.660 1.00 0.00 C ATOM 0 HA PRO A 50 16.329 11.077 0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.957 9.370 2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.875 10.738 2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.222 7.855 2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 50 14.245 9.190 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.939 7.787 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.037 9.195 0.819 1.00 0.00 H new ATOM 746 N MET A 51 16.807 8.149 -1.103 1.00 0.00 N ATOM 747 CA MET A 51 17.757 7.295 -1.795 1.00 0.00 C ATOM 748 C MET A 51 18.039 7.818 -3.205 1.00 0.00 C ATOM 749 O MET A 51 19.186 7.834 -3.647 1.00 0.00 O ATOM 750 CB MET A 51 17.198 5.873 -1.880 1.00 0.00 C ATOM 751 CG MET A 51 17.935 5.057 -2.943 1.00 0.00 C ATOM 752 SD MET A 51 18.043 3.349 -2.435 1.00 0.00 S ATOM 753 CE MET A 51 19.208 3.498 -1.091 1.00 0.00 C ATOM 0 H MET A 51 15.837 7.839 -1.158 1.00 0.00 H new ATOM 0 HA MET A 51 18.692 7.295 -1.234 1.00 0.00 H new ATOM 0 HB2 MET A 51 17.292 5.383 -0.911 1.00 0.00 H new ATOM 0 HB3 MET A 51 16.135 5.910 -2.117 1.00 0.00 H new ATOM 0 HG2 MET A 51 17.412 5.129 -3.896 1.00 0.00 H new ATOM 0 HG3 MET A 51 18.935 5.463 -3.097 1.00 0.00 H new ATOM 0 HE1 MET A 51 19.786 2.578 -1.007 1.00 0.00 H new ATOM 0 HE2 MET A 51 19.882 4.333 -1.284 1.00 0.00 H new ATOM 0 HE3 MET A 51 18.669 3.675 -0.160 1.00 0.00 H new ATOM 763 N GLY A 52 16.972 8.233 -3.872 1.00 0.00 N ATOM 764 CA GLY A 52 17.090 8.755 -5.222 1.00 0.00 C ATOM 765 C GLY A 52 16.468 7.794 -6.238 1.00 0.00 C ATOM 766 O GLY A 52 17.081 7.480 -7.257 1.00 0.00 O ATOM 0 H GLY A 52 16.022 8.218 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.597 9.725 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.141 8.915 -5.463 1.00 0.00 H new ATOM 770 N SER A 53 15.258 7.354 -5.924 1.00 0.00 N ATOM 771 CA SER A 53 14.547 6.435 -6.797 1.00 0.00 C ATOM 772 C SER A 53 13.220 7.055 -7.239 1.00 0.00 C ATOM 773 O SER A 53 12.170 6.749 -6.676 1.00 0.00 O ATOM 774 CB SER A 53 14.301 5.095 -6.102 1.00 0.00 C ATOM 775 OG SER A 53 15.514 4.493 -5.657 1.00 0.00 O ATOM 0 H SER A 53 14.752 7.617 -5.078 1.00 0.00 H new ATOM 0 HA SER A 53 15.165 6.250 -7.676 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.637 5.245 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.791 4.419 -6.788 1.00 0.00 H new ATOM 0 HG SER A 53 15.314 3.640 -5.217 1.00 0.00 H new ATOM 781 N GLN A 54 13.310 7.916 -8.242 1.00 0.00 N ATOM 782 CA GLN A 54 12.130 8.581 -8.766 1.00 0.00 C ATOM 783 C GLN A 54 11.006 7.568 -8.994 1.00 0.00 C ATOM 784 O GLN A 54 9.841 7.857 -8.727 1.00 0.00 O ATOM 785 CB GLN A 54 12.454 9.340 -10.055 1.00 0.00 C ATOM 786 CG GLN A 54 11.275 10.210 -10.491 1.00 0.00 C ATOM 787 CD GLN A 54 11.097 10.173 -12.010 1.00 0.00 C ATOM 788 OE1 GLN A 54 11.619 10.998 -12.742 1.00 0.00 O ATOM 789 NE2 GLN A 54 10.334 9.173 -12.442 1.00 0.00 N ATOM 0 H GLN A 54 14.183 8.168 -8.706 1.00 0.00 H new ATOM 0 HA GLN A 54 11.792 9.310 -8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.334 9.965 -9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.700 8.632 -10.846 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.363 9.862 -10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.437 11.238 -10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.927 8.517 -11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.156 9.062 -13.440 1.00 0.00 H new ATOM 798 N ASN A 55 11.396 6.401 -9.486 1.00 0.00 N ATOM 799 CA ASN A 55 10.436 5.344 -9.754 1.00 0.00 C ATOM 800 C ASN A 55 9.647 5.043 -8.478 1.00 0.00 C ATOM 801 O ASN A 55 8.470 4.693 -8.540 1.00 0.00 O ATOM 802 CB ASN A 55 11.141 4.057 -10.188 1.00 0.00 C ATOM 803 CG ASN A 55 11.984 4.291 -11.443 1.00 0.00 C ATOM 804 OD1 ASN A 55 11.498 4.273 -12.562 1.00 0.00 O ATOM 805 ND2 ASN A 55 13.272 4.511 -11.196 1.00 0.00 N ATOM 0 H ASN A 55 12.364 6.164 -9.706 1.00 0.00 H new ATOM 0 HA ASN A 55 9.777 5.682 -10.554 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.777 3.696 -9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.401 3.280 -10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.918 4.678 -11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.614 4.513 -10.235 1.00 0.00 H new ATOM 812 N ARG A 56 10.328 5.190 -7.351 1.00 0.00 N ATOM 813 CA ARG A 56 9.705 4.938 -6.062 1.00 0.00 C ATOM 814 C ARG A 56 9.340 6.259 -5.382 1.00 0.00 C ATOM 815 O ARG A 56 10.194 7.127 -5.204 1.00 0.00 O ATOM 816 CB ARG A 56 10.637 4.142 -5.146 1.00 0.00 C ATOM 817 CG ARG A 56 9.917 3.720 -3.864 1.00 0.00 C ATOM 818 CD ARG A 56 10.081 2.221 -3.611 1.00 0.00 C ATOM 819 NE ARG A 56 10.931 1.999 -2.419 1.00 0.00 N ATOM 820 CZ ARG A 56 12.270 2.038 -2.434 1.00 0.00 C ATOM 821 NH1 ARG A 56 12.920 2.292 -3.578 1.00 0.00 N ATOM 822 NH2 ARG A 56 12.959 1.825 -1.305 1.00 0.00 N ATOM 0 H ARG A 56 11.305 5.480 -7.303 1.00 0.00 H new ATOM 0 HA ARG A 56 8.802 4.354 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.001 3.259 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.509 4.746 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.315 4.281 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.858 3.966 -3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.105 1.760 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.530 1.744 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 56 10.468 1.804 -1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.395 2.456 -4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.940 2.322 -3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.464 1.633 -0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.979 1.855 -1.316 1.00 0.00 H new ATOM 836 N TRP A 57 8.070 6.371 -5.021 1.00 0.00 N ATOM 837 CA TRP A 57 7.581 7.571 -4.364 1.00 0.00 C ATOM 838 C TRP A 57 7.011 7.167 -3.003 1.00 0.00 C ATOM 839 O TRP A 57 6.836 5.981 -2.727 1.00 0.00 O ATOM 840 CB TRP A 57 6.565 8.302 -5.245 1.00 0.00 C ATOM 841 CG TRP A 57 7.188 9.046 -6.428 1.00 0.00 C ATOM 842 CD1 TRP A 57 8.487 9.277 -6.666 1.00 0.00 C ATOM 843 CD2 TRP A 57 6.482 9.650 -7.532 1.00 0.00 C ATOM 844 NE1 TRP A 57 8.668 9.983 -7.837 1.00 0.00 N ATOM 845 CE2 TRP A 57 7.410 10.217 -8.381 1.00 0.00 C ATOM 846 CE3 TRP A 57 5.104 9.714 -7.804 1.00 0.00 C ATOM 847 CZ2 TRP A 57 7.062 10.889 -9.559 1.00 0.00 C ATOM 848 CZ3 TRP A 57 4.773 10.390 -8.985 1.00 0.00 C ATOM 849 CH2 TRP A 57 5.695 10.966 -9.850 1.00 0.00 C ATOM 0 H TRP A 57 7.365 5.650 -5.171 1.00 0.00 H new ATOM 0 HA TRP A 57 8.392 8.281 -4.204 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.842 7.580 -5.624 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.013 9.014 -4.631 1.00 0.00 H new ATOM 0 HD1 TRP A 57 9.290 8.951 -6.022 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.561 10.279 -8.231 1.00 0.00 H new ATOM 0 HE3 TRP A 57 4.360 9.277 -7.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.808 11.324 -10.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.727 10.469 -9.241 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.358 11.471 -10.743 1.00 0.00 H new ATOM 860 N LEU A 58 6.738 8.176 -2.189 1.00 0.00 N ATOM 861 CA LEU A 58 6.192 7.940 -0.863 1.00 0.00 C ATOM 862 C LEU A 58 4.688 8.223 -0.878 1.00 0.00 C ATOM 863 O LEU A 58 4.260 9.301 -1.289 1.00 0.00 O ATOM 864 CB LEU A 58 6.959 8.750 0.184 1.00 0.00 C ATOM 865 CG LEU A 58 6.432 8.662 1.618 1.00 0.00 C ATOM 866 CD1 LEU A 58 6.452 7.218 2.123 1.00 0.00 C ATOM 867 CD2 LEU A 58 7.204 9.604 2.544 1.00 0.00 C ATOM 0 H LEU A 58 6.885 9.158 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 58 6.318 6.895 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.998 8.421 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.954 9.797 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 58 5.392 8.989 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.072 7.184 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.824 6.600 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.474 6.840 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.810 9.522 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.259 9.332 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.093 10.630 2.193 1.00 0.00 H new ATOM 879 N ILE A 59 3.928 7.237 -0.426 1.00 0.00 N ATOM 880 CA ILE A 59 2.482 7.366 -0.382 1.00 0.00 C ATOM 881 C ILE A 59 1.967 6.843 0.960 1.00 0.00 C ATOM 882 O ILE A 59 2.659 6.088 1.643 1.00 0.00 O ATOM 883 CB ILE A 59 1.846 6.682 -1.594 1.00 0.00 C ATOM 884 CG1 ILE A 59 2.128 5.178 -1.585 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.299 7.342 -2.897 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.127 4.437 -0.696 1.00 0.00 C ATOM 0 H ILE A 59 4.287 6.345 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 59 2.191 8.415 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 59 0.765 6.808 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.075 4.788 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.141 4.997 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.832 6.836 -3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.005 8.392 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.383 7.269 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.350 3.370 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.200 4.812 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.117 4.600 -1.071 1.00 0.00 H new ATOM 898 N ASP A 60 0.757 7.264 1.299 1.00 0.00 N ATOM 899 CA ASP A 60 0.142 6.846 2.548 1.00 0.00 C ATOM 900 C ASP A 60 -1.262 6.309 2.265 1.00 0.00 C ATOM 901 O ASP A 60 -2.154 7.064 1.882 1.00 0.00 O ATOM 902 CB ASP A 60 0.012 8.022 3.517 1.00 0.00 C ATOM 903 CG ASP A 60 -0.499 7.657 4.912 1.00 0.00 C ATOM 904 OD1 ASP A 60 -1.738 7.604 5.067 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.361 7.439 5.793 1.00 0.00 O ATOM 0 H ASP A 60 0.186 7.890 0.731 1.00 0.00 H new ATOM 0 HA ASP A 60 0.773 6.078 2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.986 8.500 3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.662 8.760 3.081 1.00 0.00 H new ATOM 910 N ASN A 61 -1.414 5.008 2.465 1.00 0.00 N ATOM 911 CA ASN A 61 -2.695 4.361 2.236 1.00 0.00 C ATOM 912 C ASN A 61 -3.709 4.870 3.262 1.00 0.00 C ATOM 913 O ASN A 61 -4.915 4.710 3.081 1.00 0.00 O ATOM 914 CB ASN A 61 -2.582 2.844 2.397 1.00 0.00 C ATOM 915 CG ASN A 61 -2.687 2.438 3.868 1.00 0.00 C ATOM 916 OD1 ASN A 61 -3.708 2.609 4.515 1.00 0.00 O ATOM 917 ND2 ASN A 61 -1.578 1.893 4.360 1.00 0.00 N ATOM 0 H ASN A 61 -0.672 4.385 2.783 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.013 4.594 1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.370 2.355 1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.631 2.501 1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.547 1.589 5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.758 1.779 3.764 1.00 0.00 H new ATOM 924 N GLY A 62 -3.183 5.474 4.318 1.00 0.00 N ATOM 925 CA GLY A 62 -4.028 6.008 5.373 1.00 0.00 C ATOM 926 C GLY A 62 -3.698 5.360 6.719 1.00 0.00 C ATOM 927 O GLY A 62 -3.784 6.008 7.761 1.00 0.00 O ATOM 0 H GLY A 62 -2.182 5.605 4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.892 7.087 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.076 5.834 5.128 1.00 0.00 H new ATOM 931 N VAL A 63 -3.329 4.090 6.654 1.00 0.00 N ATOM 932 CA VAL A 63 -2.986 3.347 7.855 1.00 0.00 C ATOM 933 C VAL A 63 -1.511 3.579 8.190 1.00 0.00 C ATOM 934 O VAL A 63 -1.166 3.841 9.341 1.00 0.00 O ATOM 935 CB VAL A 63 -3.332 1.868 7.672 1.00 0.00 C ATOM 936 CG1 VAL A 63 -3.045 1.076 8.950 1.00 0.00 C ATOM 937 CG2 VAL A 63 -4.788 1.695 7.236 1.00 0.00 C ATOM 0 H VAL A 63 -3.260 3.556 5.788 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.571 3.702 8.703 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.696 1.471 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.300 0.028 8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.987 1.159 9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.644 1.476 9.768 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.007 0.634 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.448 2.117 7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.948 2.211 6.289 1.00 0.00 H new ATOM 947 N THR A 64 -0.681 3.475 7.162 1.00 0.00 N ATOM 948 CA THR A 64 0.749 3.671 7.333 1.00 0.00 C ATOM 949 C THR A 64 1.337 4.395 6.120 1.00 0.00 C ATOM 950 O THR A 64 0.616 4.723 5.179 1.00 0.00 O ATOM 951 CB THR A 64 1.385 2.304 7.592 1.00 0.00 C ATOM 952 OG1 THR A 64 2.727 2.610 7.960 1.00 0.00 O ATOM 953 CG2 THR A 64 1.528 1.473 6.316 1.00 0.00 C ATOM 0 H THR A 64 -0.971 3.258 6.209 1.00 0.00 H new ATOM 0 HA THR A 64 0.961 4.312 8.189 1.00 0.00 H new ATOM 0 HB THR A 64 0.783 1.755 8.316 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.212 1.779 8.148 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.985 0.513 6.556 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.544 1.307 5.878 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.158 2.006 5.603 1.00 0.00 H new ATOM 961 N LYS A 65 2.640 4.622 6.181 1.00 0.00 N ATOM 962 CA LYS A 65 3.334 5.300 5.100 1.00 0.00 C ATOM 963 C LYS A 65 4.471 4.412 4.592 1.00 0.00 C ATOM 964 O LYS A 65 5.357 4.034 5.356 1.00 0.00 O ATOM 965 CB LYS A 65 3.791 6.691 5.545 1.00 0.00 C ATOM 966 CG LYS A 65 4.877 7.235 4.615 1.00 0.00 C ATOM 967 CD LYS A 65 5.891 8.079 5.390 1.00 0.00 C ATOM 968 CE LYS A 65 5.485 9.554 5.399 1.00 0.00 C ATOM 969 NZ LYS A 65 5.457 10.075 6.783 1.00 0.00 N ATOM 0 H LYS A 65 3.234 4.348 6.963 1.00 0.00 H new ATOM 0 HA LYS A 65 2.660 5.465 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.940 7.372 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.171 6.644 6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.388 6.407 4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.420 7.838 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.967 7.713 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.878 7.973 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.187 10.134 4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.503 9.670 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.180 11.077 6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.770 9.532 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.402 9.982 7.208 1.00 0.00 H new ATOM 983 N GLY A 66 4.409 4.104 3.304 1.00 0.00 N ATOM 984 CA GLY A 66 5.423 3.268 2.685 1.00 0.00 C ATOM 985 C GLY A 66 5.826 3.817 1.315 1.00 0.00 C ATOM 986 O GLY A 66 5.302 4.839 0.874 1.00 0.00 O ATOM 0 H GLY A 66 3.672 4.419 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.299 3.214 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.045 2.252 2.576 1.00 0.00 H new ATOM 990 N PHE A 67 6.752 3.114 0.681 1.00 0.00 N ATOM 991 CA PHE A 67 7.232 3.519 -0.630 1.00 0.00 C ATOM 992 C PHE A 67 6.843 2.493 -1.697 1.00 0.00 C ATOM 993 O PHE A 67 7.053 1.295 -1.517 1.00 0.00 O ATOM 994 CB PHE A 67 8.757 3.595 -0.545 1.00 0.00 C ATOM 995 CG PHE A 67 9.286 4.934 -0.026 1.00 0.00 C ATOM 996 CD1 PHE A 67 9.437 5.134 1.310 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.605 5.924 -0.902 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.928 6.376 1.792 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.095 7.167 -0.421 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.246 7.367 0.916 1.00 0.00 C ATOM 0 H PHE A 67 7.183 2.266 1.050 1.00 0.00 H new ATOM 0 HA PHE A 67 6.792 4.477 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.114 2.798 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.175 3.410 -1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.183 4.348 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.486 5.765 -1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.049 6.534 2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.348 7.954 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.618 8.312 1.282 1.00 0.00 H new ATOM 1010 N VAL A 68 6.282 3.002 -2.784 1.00 0.00 N ATOM 1011 CA VAL A 68 5.861 2.145 -3.880 1.00 0.00 C ATOM 1012 C VAL A 68 6.182 2.830 -5.209 1.00 0.00 C ATOM 1013 O VAL A 68 6.591 3.990 -5.231 1.00 0.00 O ATOM 1014 CB VAL A 68 4.379 1.794 -3.730 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.155 0.859 -2.540 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.527 3.058 -3.604 1.00 0.00 C ATOM 0 H VAL A 68 6.109 3.997 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 68 6.408 1.202 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 68 4.066 1.268 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.094 0.625 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.719 -0.062 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.493 1.347 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.478 2.781 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.843 3.624 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.652 3.672 -4.496 1.00 0.00 H new ATOM 1026 N TYR A 69 5.985 2.083 -6.286 1.00 0.00 N ATOM 1027 CA TYR A 69 6.249 2.604 -7.616 1.00 0.00 C ATOM 1028 C TYR A 69 4.975 3.175 -8.244 1.00 0.00 C ATOM 1029 O TYR A 69 3.945 2.505 -8.285 1.00 0.00 O ATOM 1030 CB TYR A 69 6.723 1.412 -8.450 1.00 0.00 C ATOM 1031 CG TYR A 69 7.983 0.735 -7.906 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.028 1.501 -7.431 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.074 -0.642 -7.890 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.213 0.863 -6.919 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.259 -1.280 -7.378 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.270 -0.496 -6.918 1.00 0.00 C ATOM 1037 OH TYR A 69 11.390 -1.098 -6.434 1.00 0.00 O ATOM 0 H TYR A 69 5.646 1.121 -6.264 1.00 0.00 H new ATOM 0 HA TYR A 69 6.987 3.405 -7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.921 0.676 -8.502 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.914 1.748 -9.469 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.957 2.579 -7.443 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.256 -1.241 -8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.038 1.450 -6.544 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.343 -2.357 -7.360 1.00 0.00 H new ATOM 0 HH TYR A 69 11.290 -2.071 -6.494 1.00 0.00 H new ATOM 1047 N SER A 70 5.088 4.408 -8.717 1.00 0.00 N ATOM 1048 CA SER A 70 3.959 5.076 -9.340 1.00 0.00 C ATOM 1049 C SER A 70 3.222 4.106 -10.265 1.00 0.00 C ATOM 1050 O SER A 70 2.018 4.240 -10.479 1.00 0.00 O ATOM 1051 CB SER A 70 4.412 6.312 -10.120 1.00 0.00 C ATOM 1052 OG SER A 70 5.593 6.062 -10.878 1.00 0.00 O ATOM 0 H SER A 70 5.944 4.961 -8.681 1.00 0.00 H new ATOM 0 HA SER A 70 3.280 5.405 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.613 6.632 -10.789 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.594 7.132 -9.426 1.00 0.00 H new ATOM 0 HG SER A 70 5.849 6.874 -11.363 1.00 0.00 H new ATOM 1058 N SER A 71 3.975 3.150 -10.789 1.00 0.00 N ATOM 1059 CA SER A 71 3.408 2.157 -11.686 1.00 0.00 C ATOM 1060 C SER A 71 2.334 1.346 -10.957 1.00 0.00 C ATOM 1061 O SER A 71 1.252 1.118 -11.495 1.00 0.00 O ATOM 1062 CB SER A 71 4.492 1.229 -12.236 1.00 0.00 C ATOM 1063 OG SER A 71 4.481 1.180 -13.660 1.00 0.00 O ATOM 0 H SER A 71 4.973 3.042 -10.610 1.00 0.00 H new ATOM 0 HA SER A 71 2.952 2.677 -12.528 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.469 1.569 -11.893 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.346 0.225 -11.838 1.00 0.00 H new ATOM 0 HG SER A 71 5.189 0.578 -13.972 1.00 0.00 H new ATOM 1069 N PHE A 72 2.671 0.933 -9.745 1.00 0.00 N ATOM 1070 CA PHE A 72 1.749 0.152 -8.937 1.00 0.00 C ATOM 1071 C PHE A 72 0.552 0.999 -8.498 1.00 0.00 C ATOM 1072 O PHE A 72 -0.415 0.474 -7.948 1.00 0.00 O ATOM 1073 CB PHE A 72 2.518 -0.304 -7.696 1.00 0.00 C ATOM 1074 CG PHE A 72 3.210 -1.659 -7.855 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.475 -2.769 -8.133 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.560 -1.754 -7.719 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.117 -4.027 -8.281 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.202 -3.012 -7.867 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.467 -4.122 -8.145 1.00 0.00 C ATOM 0 H PHE A 72 3.570 1.124 -9.302 1.00 0.00 H new ATOM 0 HA PHE A 72 1.371 -0.692 -9.514 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.267 0.448 -7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.829 -0.356 -6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.403 -2.694 -8.241 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.144 -0.873 -7.498 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.533 -4.908 -8.502 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.274 -3.087 -7.759 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.955 -5.079 -8.258 1.00 0.00 H new ATOM 1089 N LEU A 73 0.657 2.294 -8.759 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.405 3.218 -8.398 1.00 0.00 C ATOM 1091 C LEU A 73 -1.088 3.725 -9.670 1.00 0.00 C ATOM 1092 O LEU A 73 -0.603 3.488 -10.775 1.00 0.00 O ATOM 1093 CB LEU A 73 0.137 4.334 -7.503 1.00 0.00 C ATOM 1094 CG LEU A 73 0.894 3.884 -6.252 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.603 5.064 -5.586 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.037 3.152 -5.282 1.00 0.00 C ATOM 0 H LEU A 73 1.461 2.725 -9.216 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.168 2.710 -7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.801 4.960 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.699 4.961 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 73 1.665 3.176 -6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.133 4.716 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.314 5.503 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.867 5.815 -5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.526 2.843 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.845 3.818 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.455 2.273 -5.773 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.202 4.414 -9.470 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.956 4.957 -10.587 1.00 0.00 C ATOM 1110 C LYS A 74 -3.623 6.265 -10.159 1.00 0.00 C ATOM 1111 O LYS A 74 -4.013 6.418 -9.002 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.937 3.915 -11.129 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.825 3.366 -10.011 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.299 3.678 -10.277 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.050 2.428 -10.740 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.395 2.787 -11.242 1.00 0.00 N ATOM 0 H LYS A 74 -2.600 4.609 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.290 5.195 -11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.558 4.363 -11.905 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.385 3.098 -11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.687 2.288 -9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.524 3.800 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.761 4.069 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.378 4.456 -11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.484 1.927 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.140 1.724 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.891 1.927 -11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.938 3.245 -10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.303 3.442 -12.045 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.736 7.201 -11.140 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.349 8.491 -10.875 1.00 0.00 C ATOM 1132 C PRO A 75 -5.871 8.365 -10.772 1.00 0.00 C ATOM 1133 O PRO A 75 -6.547 8.132 -11.773 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.904 9.381 -12.025 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.445 8.440 -13.127 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.286 7.055 -12.521 1.00 0.00 C ATOM 0 HA PRO A 75 -4.042 8.914 -9.918 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.722 10.014 -12.368 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.096 10.044 -11.716 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.172 8.420 -13.939 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.501 8.781 -13.552 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.884 6.317 -13.056 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.250 6.719 -12.567 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.364 8.523 -9.553 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.793 8.430 -9.306 1.00 0.00 C ATOM 1146 C TYR A 76 -8.576 9.320 -10.273 1.00 0.00 C ATOM 1147 O TYR A 76 -7.992 9.953 -11.151 1.00 0.00 O ATOM 1148 CB TYR A 76 -8.008 8.936 -7.878 1.00 0.00 C ATOM 1149 CG TYR A 76 -9.359 8.544 -7.276 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.593 7.237 -6.900 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -10.342 9.497 -7.108 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.865 6.867 -6.333 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.613 9.128 -6.541 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.812 7.831 -6.181 1.00 0.00 C ATOM 1155 OH TYR A 76 -13.013 7.483 -5.646 1.00 0.00 O ATOM 0 H TYR A 76 -5.800 8.715 -8.725 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.140 7.406 -9.444 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.212 8.548 -7.242 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.920 10.022 -7.871 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.823 6.491 -7.031 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.158 10.520 -7.402 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.062 5.848 -6.036 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.391 9.864 -6.404 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.590 8.273 -5.596 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.887 9.339 -10.080 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.756 10.140 -10.924 1.00 0.00 C ATOM 1167 C ASN A 77 -12.140 10.236 -10.279 1.00 0.00 C ATOM 1168 O ASN A 77 -12.996 9.383 -10.507 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.922 9.504 -12.306 1.00 0.00 C ATOM 1170 CG ASN A 77 -10.620 10.513 -13.415 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -10.903 11.695 -13.308 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -10.031 9.983 -14.483 1.00 0.00 N ATOM 0 H ASN A 77 -10.368 8.812 -9.351 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.304 11.126 -11.033 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.255 8.647 -12.398 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.939 9.129 -12.418 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.788 10.575 -15.278 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.822 8.985 -14.507 1.00 0.00 H new ATOM 1179 N PRO A 78 -12.321 11.311 -9.465 1.00 0.00 N ATOM 1180 CA PRO A 78 -13.586 11.530 -8.785 1.00 0.00 C ATOM 1181 C PRO A 78 -14.650 12.043 -9.757 1.00 0.00 C ATOM 1182 O PRO A 78 -15.780 12.318 -9.358 1.00 0.00 O ATOM 1183 CB PRO A 78 -13.270 12.518 -7.674 1.00 0.00 C ATOM 1184 CG PRO A 78 -11.952 13.170 -8.059 1.00 0.00 C ATOM 1185 CD PRO A 78 -11.330 12.342 -9.172 1.00 0.00 C ATOM 0 HA PRO A 78 -14.007 10.612 -8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.060 13.262 -7.577 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.189 12.012 -6.712 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.116 14.195 -8.392 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.284 13.217 -7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.122 12.952 -10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.383 11.903 -8.857 1.00 0.00 H new ATOM 1193 N ARG A 79 -14.250 12.158 -11.015 1.00 0.00 N ATOM 1194 CA ARG A 79 -15.155 12.634 -12.048 1.00 0.00 C ATOM 1195 C ARG A 79 -15.585 14.072 -11.754 1.00 0.00 C ATOM 1196 O ARG A 79 -16.234 14.336 -10.743 1.00 0.00 O ATOM 1197 CB ARG A 79 -16.397 11.746 -12.143 1.00 0.00 C ATOM 1198 CG ARG A 79 -17.350 12.252 -13.228 1.00 0.00 C ATOM 1199 CD ARG A 79 -17.114 11.520 -14.551 1.00 0.00 C ATOM 1200 NE ARG A 79 -18.088 11.981 -15.565 1.00 0.00 N ATOM 1201 CZ ARG A 79 -19.351 11.541 -15.648 1.00 0.00 C ATOM 1202 NH1 ARG A 79 -19.801 10.626 -14.779 1.00 0.00 N ATOM 1203 NH2 ARG A 79 -20.165 12.016 -16.602 1.00 0.00 N ATOM 0 H ARG A 79 -13.311 11.930 -11.342 1.00 0.00 H new ATOM 0 HA ARG A 79 -14.623 12.598 -12.999 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.100 10.721 -12.364 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.911 11.729 -11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -18.382 12.107 -12.907 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.208 13.323 -13.371 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.098 11.703 -14.901 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.212 10.444 -14.404 1.00 0.00 H new ATOM 0 HE ARG A 79 -17.779 12.677 -16.243 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.182 10.264 -14.054 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.763 10.292 -14.843 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -19.823 12.712 -17.264 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.126 11.681 -16.665 1.00 0.00 H new ATOM 1217 N ARG A 80 -15.207 14.965 -12.657 1.00 0.00 N ATOM 1218 CA ARG A 80 -15.546 16.370 -12.508 1.00 0.00 C ATOM 1219 C ARG A 80 -14.816 16.967 -11.303 1.00 0.00 C ATOM 1220 O ARG A 80 -15.174 16.694 -10.158 1.00 0.00 O ATOM 1221 CB ARG A 80 -17.054 16.557 -12.325 1.00 0.00 C ATOM 1222 CG ARG A 80 -17.436 18.036 -12.398 1.00 0.00 C ATOM 1223 CD ARG A 80 -18.858 18.261 -11.882 1.00 0.00 C ATOM 1224 NE ARG A 80 -18.818 18.928 -10.561 1.00 0.00 N ATOM 1225 CZ ARG A 80 -19.905 19.331 -9.890 1.00 0.00 C ATOM 1226 NH1 ARG A 80 -21.125 19.138 -10.411 1.00 0.00 N ATOM 1227 NH2 ARG A 80 -19.773 19.928 -8.697 1.00 0.00 N ATOM 0 H ARG A 80 -14.669 14.743 -13.495 1.00 0.00 H new ATOM 0 HA ARG A 80 -15.235 16.884 -13.418 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -17.589 16.001 -13.095 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -17.361 16.146 -11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.734 18.626 -11.809 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -17.360 18.385 -13.428 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -19.418 18.872 -12.590 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -19.380 17.307 -11.801 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.906 19.091 -10.135 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -21.226 18.684 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -21.952 19.445 -9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.845 20.075 -8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.601 20.235 -8.186 1.00 0.00 H new ATOM 1241 N SER A 81 -13.806 17.771 -11.602 1.00 0.00 N ATOM 1242 CA SER A 81 -13.022 18.409 -10.558 1.00 0.00 C ATOM 1243 C SER A 81 -13.384 19.892 -10.464 1.00 0.00 C ATOM 1244 O SER A 81 -13.767 20.506 -11.459 1.00 0.00 O ATOM 1245 CB SER A 81 -11.523 18.243 -10.815 1.00 0.00 C ATOM 1246 OG SER A 81 -11.117 18.873 -12.027 1.00 0.00 O ATOM 0 H SER A 81 -13.512 17.995 -12.553 1.00 0.00 H new ATOM 0 HA SER A 81 -13.256 17.924 -9.610 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.963 18.666 -9.981 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.278 17.182 -10.858 1.00 0.00 H new ATOM 0 HG SER A 81 -10.154 18.746 -12.155 1.00 0.00 H new ATOM 1252 N HIS A 82 -13.251 20.426 -9.259 1.00 0.00 N ATOM 1253 CA HIS A 82 -13.560 21.826 -9.022 1.00 0.00 C ATOM 1254 C HIS A 82 -12.348 22.687 -9.386 1.00 0.00 C ATOM 1255 O HIS A 82 -11.233 22.181 -9.496 1.00 0.00 O ATOM 1256 CB HIS A 82 -14.030 22.043 -7.582 1.00 0.00 C ATOM 1257 CG HIS A 82 -12.910 22.091 -6.571 1.00 0.00 C ATOM 1258 ND1 HIS A 82 -12.529 23.256 -5.929 1.00 0.00 N ATOM 1259 CD2 HIS A 82 -12.094 21.106 -6.097 1.00 0.00 C ATOM 1260 CE1 HIS A 82 -11.528 22.974 -5.109 1.00 0.00 C ATOM 1261 NE2 HIS A 82 -11.259 21.641 -5.215 1.00 0.00 N ATOM 0 H HIS A 82 -12.933 19.914 -8.436 1.00 0.00 H new ATOM 0 HA HIS A 82 -14.387 22.133 -9.662 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -14.592 22.976 -7.531 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -14.717 21.241 -7.310 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -12.123 20.067 -6.390 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -11.015 23.676 -4.469 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -10.535 21.138 -4.701 1.00 0.00 H new ATOM 1269 N SER A 83 -12.609 23.974 -9.563 1.00 0.00 N ATOM 1270 CA SER A 83 -11.554 24.910 -9.912 1.00 0.00 C ATOM 1271 C SER A 83 -10.407 24.805 -8.906 1.00 0.00 C ATOM 1272 O SER A 83 -10.632 24.525 -7.730 1.00 0.00 O ATOM 1273 CB SER A 83 -12.085 26.344 -9.964 1.00 0.00 C ATOM 1274 OG SER A 83 -12.171 26.928 -8.667 1.00 0.00 O ATOM 0 H SER A 83 -13.536 24.390 -9.471 1.00 0.00 H new ATOM 0 HA SER A 83 -11.183 24.652 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.432 26.950 -10.592 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.070 26.349 -10.430 1.00 0.00 H new ATOM 0 HG SER A 83 -12.512 27.844 -8.742 1.00 0.00 H new ATOM 1280 N ASP A 84 -9.201 25.033 -9.406 1.00 0.00 N ATOM 1281 CA ASP A 84 -8.018 24.968 -8.565 1.00 0.00 C ATOM 1282 C ASP A 84 -7.107 26.156 -8.880 1.00 0.00 C ATOM 1283 O ASP A 84 -6.852 26.455 -10.046 1.00 0.00 O ATOM 1284 CB ASP A 84 -7.227 23.684 -8.826 1.00 0.00 C ATOM 1285 CG ASP A 84 -7.902 22.399 -8.340 1.00 0.00 C ATOM 1286 OD1 ASP A 84 -8.296 22.379 -7.154 1.00 0.00 O ATOM 1287 OD2 ASP A 84 -8.009 21.467 -9.166 1.00 0.00 O ATOM 0 H ASP A 84 -9.018 25.263 -10.383 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.343 24.987 -7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.045 23.598 -9.897 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.253 23.770 -8.343 1.00 0.00 H new ATOM 1292 N ALA A 85 -6.641 26.801 -7.821 1.00 0.00 N ATOM 1293 CA ALA A 85 -5.764 27.950 -7.970 1.00 0.00 C ATOM 1294 C ALA A 85 -4.764 27.680 -9.096 1.00 0.00 C ATOM 1295 O ALA A 85 -4.084 26.654 -9.094 1.00 0.00 O ATOM 1296 CB ALA A 85 -5.075 28.243 -6.636 1.00 0.00 C ATOM 0 H ALA A 85 -6.854 26.550 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.336 28.837 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.417 29.105 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.828 28.457 -5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.489 27.376 -6.331 1.00 0.00 H new ATOM 1302 N SER A 86 -4.705 28.618 -10.030 1.00 0.00 N ATOM 1303 CA SER A 86 -3.800 28.494 -11.159 1.00 0.00 C ATOM 1304 C SER A 86 -2.391 28.156 -10.666 1.00 0.00 C ATOM 1305 O SER A 86 -2.103 28.271 -9.476 1.00 0.00 O ATOM 1306 CB SER A 86 -3.777 29.778 -11.991 1.00 0.00 C ATOM 1307 OG SER A 86 -3.158 30.855 -11.293 1.00 0.00 O ATOM 0 H SER A 86 -5.270 29.467 -10.028 1.00 0.00 H new ATOM 0 HA SER A 86 -4.159 27.686 -11.797 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.243 29.596 -12.924 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.797 30.056 -12.256 1.00 0.00 H new ATOM 0 HG SER A 86 -3.161 31.656 -11.858 1.00 0.00 H new ATOM 1313 N SER A 87 -1.552 27.747 -11.606 1.00 0.00 N ATOM 1314 CA SER A 87 -0.181 27.392 -11.281 1.00 0.00 C ATOM 1315 C SER A 87 0.700 27.515 -12.526 1.00 0.00 C ATOM 1316 O SER A 87 0.503 26.796 -13.504 1.00 0.00 O ATOM 1317 CB SER A 87 -0.099 25.974 -10.711 1.00 0.00 C ATOM 1318 OG SER A 87 1.028 25.807 -9.855 1.00 0.00 O ATOM 0 H SER A 87 -1.795 27.654 -12.592 1.00 0.00 H new ATOM 0 HA SER A 87 0.179 28.082 -10.518 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.011 25.753 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.042 25.257 -11.530 1.00 0.00 H new ATOM 0 HG SER A 87 1.044 24.890 -9.510 1.00 0.00 H new ATOM 1324 N GLY A 88 1.653 28.433 -12.449 1.00 0.00 N ATOM 1325 CA GLY A 88 2.565 28.659 -13.558 1.00 0.00 C ATOM 1326 C GLY A 88 3.247 30.023 -13.436 1.00 0.00 C ATOM 1327 O GLY A 88 2.696 31.037 -13.861 1.00 0.00 O ATOM 0 H GLY A 88 1.813 29.028 -11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.319 27.872 -13.580 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.019 28.604 -14.500 1.00 0.00 H new ATOM 1331 N PRO A 89 4.468 30.004 -12.838 1.00 0.00 N ATOM 1332 CA PRO A 89 5.232 31.226 -12.655 1.00 0.00 C ATOM 1333 C PRO A 89 5.848 31.691 -13.976 1.00 0.00 C ATOM 1334 O PRO A 89 5.685 32.845 -14.369 1.00 0.00 O ATOM 1335 CB PRO A 89 6.273 30.886 -11.601 1.00 0.00 C ATOM 1336 CG PRO A 89 6.355 29.368 -11.571 1.00 0.00 C ATOM 1337 CD PRO A 89 5.152 28.821 -12.322 1.00 0.00 C ATOM 0 HA PRO A 89 4.614 32.063 -12.329 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.239 31.325 -11.851 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.986 31.281 -10.627 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.281 29.027 -12.033 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.360 29.006 -10.543 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.458 28.157 -13.130 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.503 28.244 -11.663 1.00 0.00 H new ATOM 1345 N SER A 90 6.544 30.768 -14.624 1.00 0.00 N ATOM 1346 CA SER A 90 7.185 31.069 -15.893 1.00 0.00 C ATOM 1347 C SER A 90 8.166 32.230 -15.721 1.00 0.00 C ATOM 1348 O SER A 90 7.756 33.362 -15.470 1.00 0.00 O ATOM 1349 CB SER A 90 6.149 31.404 -16.968 1.00 0.00 C ATOM 1350 OG SER A 90 6.438 30.760 -18.206 1.00 0.00 O ATOM 0 H SER A 90 6.678 29.812 -14.294 1.00 0.00 H new ATOM 0 HA SER A 90 7.732 30.184 -16.218 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.159 31.102 -16.625 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.119 32.483 -17.119 1.00 0.00 H new ATOM 0 HG SER A 90 5.753 30.997 -18.866 1.00 0.00 H new ATOM 1356 N SER A 91 9.444 31.909 -15.863 1.00 0.00 N ATOM 1357 CA SER A 91 10.487 32.912 -15.726 1.00 0.00 C ATOM 1358 C SER A 91 10.594 33.734 -17.012 1.00 0.00 C ATOM 1359 O SER A 91 10.448 34.955 -16.987 1.00 0.00 O ATOM 1360 CB SER A 91 11.833 32.265 -15.395 1.00 0.00 C ATOM 1361 OG SER A 91 11.890 31.810 -14.046 1.00 0.00 O ATOM 0 H SER A 91 9.781 30.969 -16.071 1.00 0.00 H new ATOM 0 HA SER A 91 10.220 33.573 -14.901 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.007 31.426 -16.068 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.633 32.984 -15.569 1.00 0.00 H new ATOM 0 HG SER A 91 12.764 31.402 -13.875 1.00 0.00 H new ATOM 1367 N GLY A 92 10.850 33.031 -18.106 1.00 0.00 N ATOM 1368 CA GLY A 92 10.979 33.680 -19.400 1.00 0.00 C ATOM 1369 C GLY A 92 11.037 32.647 -20.528 1.00 0.00 C ATOM 1370 O GLY A 92 11.079 33.008 -21.703 1.00 0.00 O ATOM 0 H GLY A 92 10.972 32.018 -18.123 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.135 34.351 -19.560 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.881 34.292 -19.416 1.00 0.00 H new TER 1374 GLY A 92