USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 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 180:sc= 0 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 160:sc=-0.00943 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 14 TYR OH : rot -110:sc= -4.52! 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=-0.76) USER MOD Single : A 25 ASN : amide:sc= -2.58 K(o=-2.6,f=-0.23) USER MOD Single : A 27 ASN : amide:sc= -0.0763 X(o=-0.076,f=-0.35) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 (180deg=0) 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= -0.225 K(o=-0.23,f=-2.5!) USER MOD Single : A 61 ASN : amide:sc= -8.13! C(o=-8.1!,f=-22!) USER MOD Single : A 64 THR OG1 : rot 42:sc= 0.362! 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 165:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.377 K(o=-0.38,f=-1.1) USER MOD Single : A 81 SER OG : rot 63:sc= 0.182 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.012) 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 38:sc= 0.0179 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0108 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.404 0.549 11.431 1.00 0.00 N ATOM 2 CA GLY A 1 -14.764 1.192 10.296 1.00 0.00 C ATOM 3 C GLY A 1 -13.350 1.654 10.654 1.00 0.00 C ATOM 4 O GLY A 1 -13.151 2.338 11.657 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.362 0.245 11.163 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.846 -0.279 11.721 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.463 1.221 12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.722 0.498 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.359 2.047 9.974 1.00 0.00 H new ATOM 8 N SER A 2 -12.403 1.261 9.814 1.00 0.00 N ATOM 9 CA SER A 2 -11.013 1.626 10.029 1.00 0.00 C ATOM 10 C SER A 2 -10.302 1.795 8.685 1.00 0.00 C ATOM 11 O SER A 2 -9.803 2.876 8.374 1.00 0.00 O ATOM 12 CB SER A 2 -10.294 0.579 10.882 1.00 0.00 C ATOM 13 OG SER A 2 -9.749 1.142 12.072 1.00 0.00 O ATOM 0 H SER A 2 -12.571 0.693 8.983 1.00 0.00 H new ATOM 0 HA SER A 2 -10.988 2.573 10.567 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.992 -0.216 11.144 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.495 0.122 10.298 1.00 0.00 H new ATOM 0 HG SER A 2 -9.300 0.441 12.590 1.00 0.00 H new ATOM 19 N SER A 3 -10.278 0.711 7.924 1.00 0.00 N ATOM 20 CA SER A 3 -9.637 0.725 6.621 1.00 0.00 C ATOM 21 C SER A 3 -10.531 1.440 5.606 1.00 0.00 C ATOM 22 O SER A 3 -10.125 2.437 5.010 1.00 0.00 O ATOM 23 CB SER A 3 -9.324 -0.695 6.145 1.00 0.00 C ATOM 24 OG SER A 3 -7.932 -0.990 6.223 1.00 0.00 O ATOM 0 H SER A 3 -10.693 -0.183 8.185 1.00 0.00 H new ATOM 0 HA SER A 3 -8.694 1.265 6.710 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.881 -1.411 6.750 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.663 -0.815 5.116 1.00 0.00 H new ATOM 0 HG SER A 3 -7.774 -1.906 5.912 1.00 0.00 H new ATOM 30 N GLY A 4 -11.730 0.903 5.439 1.00 0.00 N ATOM 31 CA GLY A 4 -12.685 1.477 4.506 1.00 0.00 C ATOM 32 C GLY A 4 -12.789 2.992 4.692 1.00 0.00 C ATOM 33 O GLY A 4 -12.640 3.750 3.734 1.00 0.00 O ATOM 0 H GLY A 4 -12.063 0.076 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.380 1.252 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.664 1.021 4.655 1.00 0.00 H new ATOM 37 N SER A 5 -13.043 3.389 5.930 1.00 0.00 N ATOM 38 CA SER A 5 -13.169 4.800 6.253 1.00 0.00 C ATOM 39 C SER A 5 -11.983 5.576 5.677 1.00 0.00 C ATOM 40 O SER A 5 -12.168 6.577 4.987 1.00 0.00 O ATOM 41 CB SER A 5 -13.258 5.013 7.766 1.00 0.00 C ATOM 42 OG SER A 5 -13.978 6.197 8.097 1.00 0.00 O ATOM 0 H SER A 5 -13.165 2.758 6.722 1.00 0.00 H new ATOM 0 HA SER A 5 -14.091 5.172 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.745 4.153 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.253 5.071 8.184 1.00 0.00 H new ATOM 0 HG SER A 5 -14.014 6.296 9.071 1.00 0.00 H new ATOM 48 N SER A 6 -10.791 5.085 5.982 1.00 0.00 N ATOM 49 CA SER A 6 -9.575 5.720 5.503 1.00 0.00 C ATOM 50 C SER A 6 -9.660 5.941 3.991 1.00 0.00 C ATOM 51 O SER A 6 -9.578 7.074 3.520 1.00 0.00 O ATOM 52 CB SER A 6 -8.343 4.882 5.848 1.00 0.00 C ATOM 53 OG SER A 6 -7.275 5.683 6.346 1.00 0.00 O ATOM 0 H SER A 6 -10.641 4.255 6.555 1.00 0.00 H new ATOM 0 HA SER A 6 -9.475 6.685 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.611 4.132 6.592 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.010 4.345 4.960 1.00 0.00 H new ATOM 0 HG SER A 6 -6.648 5.119 6.845 1.00 0.00 H new ATOM 59 N GLY A 7 -9.825 4.840 3.273 1.00 0.00 N ATOM 60 CA GLY A 7 -9.922 4.899 1.824 1.00 0.00 C ATOM 61 C GLY A 7 -10.728 6.120 1.378 1.00 0.00 C ATOM 62 O GLY A 7 -10.492 6.665 0.301 1.00 0.00 O ATOM 0 H GLY A 7 -9.894 3.902 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.923 4.940 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.394 3.991 1.450 1.00 0.00 H new ATOM 66 N ALA A 8 -11.664 6.515 2.229 1.00 0.00 N ATOM 67 CA ALA A 8 -12.507 7.662 1.936 1.00 0.00 C ATOM 68 C ALA A 8 -11.811 8.936 2.419 1.00 0.00 C ATOM 69 O ALA A 8 -11.569 9.851 1.634 1.00 0.00 O ATOM 70 CB ALA A 8 -13.879 7.465 2.583 1.00 0.00 C ATOM 0 H ALA A 8 -11.857 6.061 3.122 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.665 7.759 0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.512 8.325 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.343 6.562 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.762 7.367 3.662 1.00 0.00 H new ATOM 76 N SER A 9 -11.510 8.955 3.709 1.00 0.00 N ATOM 77 CA SER A 9 -10.848 10.103 4.306 1.00 0.00 C ATOM 78 C SER A 9 -9.777 10.641 3.356 1.00 0.00 C ATOM 79 O SER A 9 -9.689 11.848 3.133 1.00 0.00 O ATOM 80 CB SER A 9 -10.226 9.739 5.656 1.00 0.00 C ATOM 81 OG SER A 9 -10.920 8.670 6.293 1.00 0.00 O ATOM 0 H SER A 9 -11.712 8.194 4.358 1.00 0.00 H new ATOM 0 HA SER A 9 -11.595 10.878 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.183 9.458 5.511 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.233 10.614 6.306 1.00 0.00 H new ATOM 0 HG SER A 9 -10.491 8.467 7.150 1.00 0.00 H new ATOM 87 N LEU A 10 -8.988 9.720 2.821 1.00 0.00 N ATOM 88 CA LEU A 10 -7.926 10.088 1.900 1.00 0.00 C ATOM 89 C LEU A 10 -8.430 11.183 0.958 1.00 0.00 C ATOM 90 O LEU A 10 -7.722 12.154 0.694 1.00 0.00 O ATOM 91 CB LEU A 10 -7.394 8.850 1.174 1.00 0.00 C ATOM 92 CG LEU A 10 -6.187 8.163 1.817 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.523 7.668 3.225 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.658 7.039 0.924 1.00 0.00 C ATOM 0 H LEU A 10 -9.063 8.720 3.008 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.076 10.501 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.202 8.123 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.125 9.137 0.157 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.388 8.898 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.648 7.184 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.816 8.513 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.345 6.954 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.800 6.567 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.442 6.297 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.354 7.451 -0.038 1.00 0.00 H new ATOM 106 N LEU A 11 -9.650 10.991 0.477 1.00 0.00 N ATOM 107 CA LEU A 11 -10.257 11.951 -0.429 1.00 0.00 C ATOM 108 C LEU A 11 -10.186 13.347 0.191 1.00 0.00 C ATOM 109 O LEU A 11 -9.799 14.307 -0.474 1.00 0.00 O ATOM 110 CB LEU A 11 -11.675 11.514 -0.801 1.00 0.00 C ATOM 111 CG LEU A 11 -11.782 10.334 -1.769 1.00 0.00 C ATOM 112 CD1 LEU A 11 -11.020 9.118 -1.237 1.00 0.00 C ATOM 113 CD2 LEU A 11 -13.245 10.005 -2.073 1.00 0.00 C ATOM 0 H LEU A 11 -10.234 10.185 0.698 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.704 11.991 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.206 11.256 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.193 12.367 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.314 10.621 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.112 8.293 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.968 9.374 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.437 8.820 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.293 9.163 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.759 9.745 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.727 10.872 -2.525 1.00 0.00 H new ATOM 125 N ALA A 12 -10.566 13.417 1.459 1.00 0.00 N ATOM 126 CA ALA A 12 -10.550 14.680 2.176 1.00 0.00 C ATOM 127 C ALA A 12 -9.124 14.981 2.639 1.00 0.00 C ATOM 128 O ALA A 12 -8.625 16.089 2.445 1.00 0.00 O ATOM 129 CB ALA A 12 -11.540 14.618 3.341 1.00 0.00 C ATOM 0 H ALA A 12 -10.887 12.619 2.008 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.864 15.495 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.528 15.566 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.543 14.431 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.255 13.813 4.018 1.00 0.00 H new ATOM 135 N ARG A 13 -8.506 13.976 3.242 1.00 0.00 N ATOM 136 CA ARG A 13 -7.147 14.119 3.734 1.00 0.00 C ATOM 137 C ARG A 13 -6.231 14.632 2.621 1.00 0.00 C ATOM 138 O ARG A 13 -5.574 15.660 2.777 1.00 0.00 O ATOM 139 CB ARG A 13 -6.606 12.786 4.256 1.00 0.00 C ATOM 140 CG ARG A 13 -6.660 12.734 5.784 1.00 0.00 C ATOM 141 CD ARG A 13 -5.284 12.409 6.370 1.00 0.00 C ATOM 142 NE ARG A 13 -5.028 13.253 7.558 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.810 13.483 8.067 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.730 12.933 7.496 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.672 14.263 9.148 1.00 0.00 N ATOM 0 H ARG A 13 -8.922 13.059 3.401 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.166 14.836 4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.189 11.965 3.840 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.578 12.650 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.008 13.691 6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.381 11.981 6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.236 11.355 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.511 12.578 5.620 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.828 13.687 8.018 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.835 12.339 6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.803 13.108 7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.494 14.682 9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.745 14.438 9.536 1.00 0.00 H new ATOM 159 N TYR A 14 -6.217 13.893 1.521 1.00 0.00 N ATOM 160 CA TYR A 14 -5.393 14.260 0.383 1.00 0.00 C ATOM 161 C TYR A 14 -6.250 14.809 -0.760 1.00 0.00 C ATOM 162 O TYR A 14 -7.435 14.495 -0.858 1.00 0.00 O ATOM 163 CB TYR A 14 -4.714 12.969 -0.080 1.00 0.00 C ATOM 164 CG TYR A 14 -3.772 12.355 0.957 1.00 0.00 C ATOM 165 CD1 TYR A 14 -4.269 11.497 1.918 1.00 0.00 C ATOM 166 CD2 TYR A 14 -2.426 12.658 0.933 1.00 0.00 C ATOM 167 CE1 TYR A 14 -3.382 10.919 2.895 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.540 12.080 1.909 1.00 0.00 C ATOM 169 CZ TYR A 14 -2.062 11.239 2.842 1.00 0.00 C ATOM 170 OH TYR A 14 -1.225 10.693 3.764 1.00 0.00 O ATOM 0 H TYR A 14 -6.764 13.041 1.394 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.677 15.033 0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.482 12.239 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.151 13.173 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.322 11.259 1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.037 13.329 0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.757 10.247 3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.485 12.309 1.901 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.921 11.389 4.383 1.00 0.00 H new ATOM 180 N PRO A 15 -5.599 15.642 -1.617 1.00 0.00 N ATOM 181 CA PRO A 15 -6.289 16.238 -2.748 1.00 0.00 C ATOM 182 C PRO A 15 -6.509 15.210 -3.860 1.00 0.00 C ATOM 183 O PRO A 15 -5.996 14.094 -3.789 1.00 0.00 O ATOM 184 CB PRO A 15 -5.407 17.398 -3.179 1.00 0.00 C ATOM 185 CG PRO A 15 -4.038 17.128 -2.577 1.00 0.00 C ATOM 186 CD PRO A 15 -4.196 16.036 -1.531 1.00 0.00 C ATOM 0 HA PRO A 15 -7.290 16.588 -2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.350 17.462 -4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.809 18.347 -2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.335 16.817 -3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.634 18.034 -2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.535 15.194 -1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.948 16.403 -0.535 1.00 0.00 H new ATOM 194 N PRO A 16 -7.292 15.633 -4.888 1.00 0.00 N ATOM 195 CA PRO A 16 -7.587 14.762 -6.013 1.00 0.00 C ATOM 196 C PRO A 16 -6.377 14.637 -6.941 1.00 0.00 C ATOM 197 O PRO A 16 -6.224 13.634 -7.635 1.00 0.00 O ATOM 198 CB PRO A 16 -8.793 15.390 -6.691 1.00 0.00 C ATOM 199 CG PRO A 16 -8.844 16.829 -6.204 1.00 0.00 C ATOM 200 CD PRO A 16 -7.916 16.948 -5.006 1.00 0.00 C ATOM 0 HA PRO A 16 -7.807 13.739 -5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.697 15.348 -7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.708 14.857 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.535 17.511 -6.996 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.862 17.103 -5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.170 17.728 -5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.467 17.207 -4.102 1.00 0.00 H new ATOM 208 N GLU A 17 -5.548 15.671 -6.923 1.00 0.00 N ATOM 209 CA GLU A 17 -4.356 15.689 -7.754 1.00 0.00 C ATOM 210 C GLU A 17 -3.264 14.815 -7.135 1.00 0.00 C ATOM 211 O GLU A 17 -2.197 14.640 -7.722 1.00 0.00 O ATOM 212 CB GLU A 17 -3.858 17.120 -7.966 1.00 0.00 C ATOM 213 CG GLU A 17 -3.266 17.692 -6.676 1.00 0.00 C ATOM 214 CD GLU A 17 -3.289 19.222 -6.693 1.00 0.00 C ATOM 215 OE1 GLU A 17 -4.355 19.778 -6.350 1.00 0.00 O ATOM 216 OE2 GLU A 17 -2.240 19.801 -7.049 1.00 0.00 O ATOM 0 H GLU A 17 -5.678 16.502 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.612 15.279 -8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.104 17.134 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.682 17.749 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.831 17.326 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.241 17.342 -6.555 1.00 0.00 H new ATOM 223 N LYS A 18 -3.568 14.288 -5.958 1.00 0.00 N ATOM 224 CA LYS A 18 -2.625 13.436 -5.254 1.00 0.00 C ATOM 225 C LYS A 18 -3.335 12.153 -4.813 1.00 0.00 C ATOM 226 O LYS A 18 -2.788 11.373 -4.035 1.00 0.00 O ATOM 227 CB LYS A 18 -1.967 14.201 -4.104 1.00 0.00 C ATOM 228 CG LYS A 18 -1.450 15.561 -4.576 1.00 0.00 C ATOM 229 CD LYS A 18 -0.708 16.286 -3.452 1.00 0.00 C ATOM 230 CE LYS A 18 0.194 17.388 -4.011 1.00 0.00 C ATOM 231 NZ LYS A 18 1.595 17.177 -3.586 1.00 0.00 N ATOM 0 H LYS A 18 -4.454 14.435 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.811 13.140 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.686 14.341 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.142 13.615 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.784 15.425 -5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.285 16.172 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.427 16.718 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.108 15.572 -2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.135 17.397 -5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.154 18.361 -3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.193 17.934 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.649 17.192 -2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.929 16.257 -3.937 1.00 0.00 H new ATOM 245 N LEU A 19 -4.542 11.976 -5.329 1.00 0.00 N ATOM 246 CA LEU A 19 -5.332 10.802 -4.998 1.00 0.00 C ATOM 247 C LEU A 19 -5.024 9.687 -6.000 1.00 0.00 C ATOM 248 O LEU A 19 -5.379 9.786 -7.173 1.00 0.00 O ATOM 249 CB LEU A 19 -6.816 11.161 -4.914 1.00 0.00 C ATOM 250 CG LEU A 19 -7.364 11.429 -3.511 1.00 0.00 C ATOM 251 CD1 LEU A 19 -8.784 11.994 -3.575 1.00 0.00 C ATOM 252 CD2 LEU A 19 -7.286 10.171 -2.643 1.00 0.00 C ATOM 0 H LEU A 19 -4.992 12.626 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.063 10.427 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.990 12.046 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.391 10.349 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.738 12.186 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.149 12.175 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.778 12.931 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.438 11.279 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.682 10.388 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.873 9.376 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.247 9.852 -2.557 1.00 0.00 H new ATOM 264 N PHE A 20 -4.367 8.650 -5.500 1.00 0.00 N ATOM 265 CA PHE A 20 -4.008 7.518 -6.336 1.00 0.00 C ATOM 266 C PHE A 20 -4.448 6.200 -5.694 1.00 0.00 C ATOM 267 O PHE A 20 -4.380 6.047 -4.475 1.00 0.00 O ATOM 268 CB PHE A 20 -2.483 7.524 -6.467 1.00 0.00 C ATOM 269 CG PHE A 20 -1.952 8.514 -7.504 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.793 9.824 -7.175 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.638 8.085 -8.756 1.00 0.00 C ATOM 272 CE1 PHE A 20 -1.299 10.744 -8.138 1.00 0.00 C ATOM 273 CE2 PHE A 20 -1.144 9.005 -9.719 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.986 10.315 -9.389 1.00 0.00 C ATOM 0 H PHE A 20 -4.074 8.571 -4.526 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.500 7.601 -7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.046 7.761 -5.497 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.147 6.521 -6.732 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.042 10.165 -6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.764 7.045 -9.018 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.172 11.784 -7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.894 8.664 -10.713 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.612 11.015 -10.122 1.00 0.00 H new ATOM 284 N GLN A 21 -4.888 5.283 -6.543 1.00 0.00 N ATOM 285 CA GLN A 21 -5.339 3.984 -6.073 1.00 0.00 C ATOM 286 C GLN A 21 -4.281 2.918 -6.365 1.00 0.00 C ATOM 287 O GLN A 21 -3.352 3.155 -7.136 1.00 0.00 O ATOM 288 CB GLN A 21 -6.683 3.610 -6.702 1.00 0.00 C ATOM 289 CG GLN A 21 -7.570 2.868 -5.700 1.00 0.00 C ATOM 290 CD GLN A 21 -9.016 2.801 -6.193 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.294 2.765 -7.381 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.920 2.787 -5.218 1.00 0.00 N ATOM 0 H GLN A 21 -4.942 5.414 -7.553 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.483 4.039 -4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.191 4.511 -7.045 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.517 2.984 -7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.187 1.859 -5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.534 3.372 -4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.620 2.819 -4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.914 2.744 -5.444 1.00 0.00 H new ATOM 301 N ALA A 22 -4.457 1.767 -5.733 1.00 0.00 N ATOM 302 CA ALA A 22 -3.529 0.664 -5.914 1.00 0.00 C ATOM 303 C ALA A 22 -3.913 -0.118 -7.172 1.00 0.00 C ATOM 304 O ALA A 22 -4.952 -0.777 -7.204 1.00 0.00 O ATOM 305 CB ALA A 22 -3.526 -0.213 -4.661 1.00 0.00 C ATOM 0 H ALA A 22 -5.229 1.574 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.514 1.036 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.830 -1.040 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.218 0.382 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.528 -0.607 -4.490 1.00 0.00 H new ATOM 311 N GLU A 23 -3.055 -0.020 -8.177 1.00 0.00 N ATOM 312 CA GLU A 23 -3.292 -0.710 -9.433 1.00 0.00 C ATOM 313 C GLU A 23 -3.513 -2.204 -9.185 1.00 0.00 C ATOM 314 O GLU A 23 -4.429 -2.801 -9.747 1.00 0.00 O ATOM 315 CB GLU A 23 -2.138 -0.482 -10.410 1.00 0.00 C ATOM 316 CG GLU A 23 -2.257 0.883 -11.091 1.00 0.00 C ATOM 317 CD GLU A 23 -3.077 0.783 -12.380 1.00 0.00 C ATOM 318 OE1 GLU A 23 -4.313 0.644 -12.257 1.00 0.00 O ATOM 319 OE2 GLU A 23 -2.449 0.848 -13.458 1.00 0.00 O ATOM 0 H GLU A 23 -2.195 0.527 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.195 -0.299 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.189 -0.545 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.134 -1.269 -11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.727 1.593 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.263 1.269 -11.317 1.00 0.00 H new ATOM 326 N ARG A 24 -2.658 -2.764 -8.342 1.00 0.00 N ATOM 327 CA ARG A 24 -2.748 -4.176 -8.012 1.00 0.00 C ATOM 328 C ARG A 24 -2.322 -4.411 -6.562 1.00 0.00 C ATOM 329 O ARG A 24 -1.778 -3.515 -5.918 1.00 0.00 O ATOM 330 CB ARG A 24 -1.866 -5.015 -8.938 1.00 0.00 C ATOM 331 CG ARG A 24 -0.464 -4.412 -9.054 1.00 0.00 C ATOM 332 CD ARG A 24 0.568 -5.488 -9.400 1.00 0.00 C ATOM 333 NE ARG A 24 1.542 -4.958 -10.381 1.00 0.00 N ATOM 334 CZ ARG A 24 1.211 -4.501 -11.596 1.00 0.00 C ATOM 335 NH1 ARG A 24 -0.071 -4.507 -11.988 1.00 0.00 N ATOM 336 NH2 ARG A 24 2.161 -4.039 -12.420 1.00 0.00 N ATOM 0 H ARG A 24 -1.899 -2.265 -7.877 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.786 -4.481 -8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.797 -6.034 -8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.323 -5.075 -9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.459 -3.638 -9.822 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.192 -3.931 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.087 -5.810 -8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.068 -6.365 -9.810 1.00 0.00 H new ATOM 0 HE ARG A 24 2.527 -4.940 -10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.794 -4.859 -11.361 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.323 -4.159 -12.913 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.137 -4.035 -12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.909 -3.691 -13.345 1.00 0.00 H new ATOM 350 N ASN A 25 -2.585 -5.620 -6.090 1.00 0.00 N ATOM 351 CA ASN A 25 -2.236 -5.984 -4.727 1.00 0.00 C ATOM 352 C ASN A 25 -0.719 -5.888 -4.551 1.00 0.00 C ATOM 353 O ASN A 25 0.004 -6.843 -4.830 1.00 0.00 O ATOM 354 CB ASN A 25 -2.657 -7.422 -4.416 1.00 0.00 C ATOM 355 CG ASN A 25 -4.176 -7.580 -4.507 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.707 -8.218 -5.401 1.00 0.00 O ATOM 357 ND2 ASN A 25 -4.843 -6.965 -3.535 1.00 0.00 N ATOM 0 H ASN A 25 -3.036 -6.361 -6.627 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.754 -5.302 -4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.174 -8.105 -5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.318 -7.696 -3.417 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.862 -7.011 -3.507 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.336 -6.447 -2.817 1.00 0.00 H new ATOM 364 N PHE A 26 -0.282 -4.725 -4.090 1.00 0.00 N ATOM 365 CA PHE A 26 1.136 -4.491 -3.874 1.00 0.00 C ATOM 366 C PHE A 26 1.638 -5.261 -2.651 1.00 0.00 C ATOM 367 O PHE A 26 0.942 -5.353 -1.641 1.00 0.00 O ATOM 368 CB PHE A 26 1.308 -2.991 -3.624 1.00 0.00 C ATOM 369 CG PHE A 26 2.759 -2.562 -3.394 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.344 -2.762 -2.183 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.463 -1.979 -4.402 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.690 -2.363 -1.971 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.809 -1.580 -4.189 1.00 0.00 C ATOM 374 CZ PHE A 26 5.394 -1.781 -2.978 1.00 0.00 C ATOM 0 H PHE A 26 -0.885 -3.935 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 26 1.706 -4.827 -4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.908 -2.442 -4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.714 -2.707 -2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.785 -3.224 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.998 -1.820 -5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.155 -2.522 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.368 -1.117 -4.989 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.418 -1.478 -2.816 1.00 0.00 H new ATOM 384 N ASN A 27 2.844 -5.795 -2.782 1.00 0.00 N ATOM 385 CA ASN A 27 3.448 -6.554 -1.700 1.00 0.00 C ATOM 386 C ASN A 27 4.717 -5.842 -1.230 1.00 0.00 C ATOM 387 O ASN A 27 5.613 -5.571 -2.028 1.00 0.00 O ATOM 388 CB ASN A 27 3.838 -7.959 -2.164 1.00 0.00 C ATOM 389 CG ASN A 27 3.121 -9.028 -1.337 1.00 0.00 C ATOM 390 OD1 ASN A 27 2.954 -8.911 -0.135 1.00 0.00 O ATOM 391 ND2 ASN A 27 2.710 -10.075 -2.047 1.00 0.00 N ATOM 0 H ASN A 27 3.419 -5.717 -3.621 1.00 0.00 H new ATOM 0 HA ASN A 27 2.719 -6.630 -0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.587 -8.081 -3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.917 -8.089 -2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.222 -10.844 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.883 -10.109 -3.052 1.00 0.00 H new ATOM 398 N ALA A 28 4.754 -5.559 0.064 1.00 0.00 N ATOM 399 CA ALA A 28 5.899 -4.883 0.650 1.00 0.00 C ATOM 400 C ALA A 28 7.175 -5.647 0.291 1.00 0.00 C ATOM 401 O ALA A 28 7.272 -6.849 0.532 1.00 0.00 O ATOM 402 CB ALA A 28 5.700 -4.759 2.162 1.00 0.00 C ATOM 0 H ALA A 28 4.009 -5.786 0.723 1.00 0.00 H new ATOM 0 HA ALA A 28 5.995 -3.874 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.559 -4.252 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.796 -4.184 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.603 -5.753 2.599 1.00 0.00 H new ATOM 408 N ALA A 29 8.122 -4.917 -0.280 1.00 0.00 N ATOM 409 CA ALA A 29 9.388 -5.511 -0.675 1.00 0.00 C ATOM 410 C ALA A 29 10.486 -5.045 0.284 1.00 0.00 C ATOM 411 O ALA A 29 11.299 -5.848 0.739 1.00 0.00 O ATOM 412 CB ALA A 29 9.691 -5.147 -2.130 1.00 0.00 C ATOM 0 H ALA A 29 8.038 -3.920 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 29 9.337 -6.598 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.641 -5.593 -2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.896 -5.526 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.752 -4.063 -2.229 1.00 0.00 H new ATOM 418 N GLN A 30 10.474 -3.749 0.561 1.00 0.00 N ATOM 419 CA GLN A 30 11.458 -3.167 1.457 1.00 0.00 C ATOM 420 C GLN A 30 10.858 -2.972 2.851 1.00 0.00 C ATOM 421 O GLN A 30 9.718 -3.361 3.100 1.00 0.00 O ATOM 422 CB GLN A 30 11.993 -1.846 0.900 1.00 0.00 C ATOM 423 CG GLN A 30 13.074 -2.092 -0.154 1.00 0.00 C ATOM 424 CD GLN A 30 13.708 -0.776 -0.608 1.00 0.00 C ATOM 425 OE1 GLN A 30 14.863 -0.489 -0.342 1.00 0.00 O ATOM 426 NE2 GLN A 30 12.889 0.006 -1.306 1.00 0.00 N ATOM 0 H GLN A 30 9.798 -3.086 0.181 1.00 0.00 H new ATOM 0 HA GLN A 30 12.299 -3.856 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.175 -1.275 0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.402 -1.244 1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.843 -2.748 0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.640 -2.606 -1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.933 -0.295 -1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.217 0.907 -1.654 1.00 0.00 H new ATOM 435 N ASP A 31 11.652 -2.368 3.723 1.00 0.00 N ATOM 436 CA ASP A 31 11.213 -2.117 5.085 1.00 0.00 C ATOM 437 C ASP A 31 10.371 -0.840 5.117 1.00 0.00 C ATOM 438 O ASP A 31 9.657 -0.587 6.086 1.00 0.00 O ATOM 439 CB ASP A 31 12.408 -1.919 6.021 1.00 0.00 C ATOM 440 CG ASP A 31 12.396 -2.792 7.277 1.00 0.00 C ATOM 441 OD1 ASP A 31 11.422 -3.562 7.425 1.00 0.00 O ATOM 442 OD2 ASP A 31 13.362 -2.671 8.062 1.00 0.00 O ATOM 0 H ASP A 31 12.596 -2.045 3.513 1.00 0.00 H new ATOM 0 HA ASP A 31 10.633 -2.978 5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.323 -2.121 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.444 -0.873 6.324 1.00 0.00 H new ATOM 447 N LEU A 32 10.483 -0.068 4.046 1.00 0.00 N ATOM 448 CA LEU A 32 9.741 1.176 3.940 1.00 0.00 C ATOM 449 C LEU A 32 8.420 0.917 3.212 1.00 0.00 C ATOM 450 O LEU A 32 7.457 1.662 3.382 1.00 0.00 O ATOM 451 CB LEU A 32 10.601 2.259 3.285 1.00 0.00 C ATOM 452 CG LEU A 32 11.800 2.748 4.101 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.572 3.831 3.346 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.363 3.218 5.490 1.00 0.00 C ATOM 0 H LEU A 32 11.077 -0.280 3.244 1.00 0.00 H new ATOM 0 HA LEU A 32 9.491 1.555 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.967 1.877 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.964 3.115 3.063 1.00 0.00 H new ATOM 0 HG LEU A 32 12.481 1.909 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.419 4.161 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.934 3.427 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.914 4.678 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.234 3.560 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.651 4.037 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.892 2.392 6.022 1.00 0.00 H new ATOM 466 N ASP A 33 8.418 -0.143 2.416 1.00 0.00 N ATOM 467 CA ASP A 33 7.232 -0.510 1.662 1.00 0.00 C ATOM 468 C ASP A 33 6.161 -1.028 2.624 1.00 0.00 C ATOM 469 O ASP A 33 6.463 -1.380 3.763 1.00 0.00 O ATOM 470 CB ASP A 33 7.541 -1.620 0.656 1.00 0.00 C ATOM 471 CG ASP A 33 8.435 -1.203 -0.514 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.211 -0.242 -0.320 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.322 -1.854 -1.575 1.00 0.00 O ATOM 0 H ASP A 33 9.219 -0.759 2.277 1.00 0.00 H new ATOM 0 HA ASP A 33 6.885 0.374 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.020 -2.445 1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.601 -2.000 0.257 1.00 0.00 H new ATOM 478 N VAL A 34 4.932 -1.059 2.130 1.00 0.00 N ATOM 479 CA VAL A 34 3.815 -1.528 2.932 1.00 0.00 C ATOM 480 C VAL A 34 2.753 -2.136 2.013 1.00 0.00 C ATOM 481 O VAL A 34 2.345 -1.514 1.034 1.00 0.00 O ATOM 482 CB VAL A 34 3.275 -0.387 3.796 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.405 0.542 4.246 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.186 0.393 3.057 1.00 0.00 C ATOM 0 H VAL A 34 4.685 -0.767 1.184 1.00 0.00 H new ATOM 0 HA VAL A 34 4.139 -2.311 3.617 1.00 0.00 H new ATOM 0 HB VAL A 34 2.826 -0.826 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.994 1.344 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.131 -0.024 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.896 0.968 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.820 1.198 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.599 0.814 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.363 -0.277 2.810 1.00 0.00 H new ATOM 494 N SER A 35 2.336 -3.344 2.362 1.00 0.00 N ATOM 495 CA SER A 35 1.330 -4.043 1.580 1.00 0.00 C ATOM 496 C SER A 35 0.136 -3.122 1.321 1.00 0.00 C ATOM 497 O SER A 35 -0.189 -2.273 2.150 1.00 0.00 O ATOM 498 CB SER A 35 0.872 -5.320 2.288 1.00 0.00 C ATOM 499 OG SER A 35 1.971 -6.081 2.781 1.00 0.00 O ATOM 0 H SER A 35 2.676 -3.857 3.176 1.00 0.00 H new ATOM 0 HA SER A 35 1.774 -4.328 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.212 -5.059 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.291 -5.929 1.596 1.00 0.00 H new ATOM 0 HG SER A 35 1.637 -6.887 3.227 1.00 0.00 H new ATOM 505 N LEU A 36 -0.485 -3.321 0.168 1.00 0.00 N ATOM 506 CA LEU A 36 -1.636 -2.519 -0.211 1.00 0.00 C ATOM 507 C LEU A 36 -2.597 -3.374 -1.039 1.00 0.00 C ATOM 508 O LEU A 36 -2.170 -4.278 -1.756 1.00 0.00 O ATOM 509 CB LEU A 36 -1.187 -1.238 -0.917 1.00 0.00 C ATOM 510 CG LEU A 36 -0.537 -0.175 -0.029 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.072 1.023 -0.859 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.477 0.242 1.104 1.00 0.00 C ATOM 0 H LEU A 36 -0.213 -4.026 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.182 -2.193 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.481 -1.508 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.054 -0.794 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 36 0.350 -0.610 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.386 1.764 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.657 0.692 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.928 1.468 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.991 0.998 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.395 0.652 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.716 -0.627 1.717 1.00 0.00 H new ATOM 524 N LEU A 37 -3.878 -3.057 -0.913 1.00 0.00 N ATOM 525 CA LEU A 37 -4.903 -3.785 -1.642 1.00 0.00 C ATOM 526 C LEU A 37 -5.221 -3.045 -2.943 1.00 0.00 C ATOM 527 O LEU A 37 -5.351 -1.822 -2.950 1.00 0.00 O ATOM 528 CB LEU A 37 -6.127 -4.019 -0.753 1.00 0.00 C ATOM 529 CG LEU A 37 -5.941 -5.012 0.396 1.00 0.00 C ATOM 530 CD1 LEU A 37 -5.875 -6.449 -0.125 1.00 0.00 C ATOM 531 CD2 LEU A 37 -4.716 -4.652 1.239 1.00 0.00 C ATOM 0 H LEU A 37 -4.229 -2.307 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.543 -4.776 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.435 -3.061 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.946 -4.370 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.812 -4.946 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.742 -7.134 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.801 -6.689 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.034 -6.549 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.607 -5.374 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.824 -4.672 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.843 -3.654 1.657 1.00 0.00 H new ATOM 543 N GLU A 38 -5.336 -3.818 -4.013 1.00 0.00 N ATOM 544 CA GLU A 38 -5.636 -3.251 -5.316 1.00 0.00 C ATOM 545 C GLU A 38 -6.821 -2.289 -5.217 1.00 0.00 C ATOM 546 O GLU A 38 -6.988 -1.415 -6.066 1.00 0.00 O ATOM 547 CB GLU A 38 -5.908 -4.352 -6.343 1.00 0.00 C ATOM 548 CG GLU A 38 -6.907 -5.375 -5.800 1.00 0.00 C ATOM 549 CD GLU A 38 -7.513 -6.206 -6.933 1.00 0.00 C ATOM 550 OE1 GLU A 38 -8.505 -5.724 -7.522 1.00 0.00 O ATOM 551 OE2 GLU A 38 -6.971 -7.304 -7.184 1.00 0.00 O ATOM 0 H GLU A 38 -5.227 -4.832 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.765 -2.690 -5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.297 -3.910 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.974 -4.852 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.408 -6.033 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.700 -4.861 -5.257 1.00 0.00 H new ATOM 558 N GLY A 39 -7.614 -2.483 -4.173 1.00 0.00 N ATOM 559 CA GLY A 39 -8.779 -1.643 -3.952 1.00 0.00 C ATOM 560 C GLY A 39 -8.447 -0.481 -3.014 1.00 0.00 C ATOM 561 O GLY A 39 -9.099 0.562 -3.056 1.00 0.00 O ATOM 0 H GLY A 39 -7.473 -3.209 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.138 -1.255 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.586 -2.239 -3.527 1.00 0.00 H new ATOM 565 N ASP A 40 -7.433 -0.699 -2.189 1.00 0.00 N ATOM 566 CA ASP A 40 -7.006 0.318 -1.243 1.00 0.00 C ATOM 567 C ASP A 40 -6.543 1.559 -2.008 1.00 0.00 C ATOM 568 O ASP A 40 -6.006 1.449 -3.109 1.00 0.00 O ATOM 569 CB ASP A 40 -5.835 -0.178 -0.392 1.00 0.00 C ATOM 570 CG ASP A 40 -6.231 -0.986 0.846 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.444 -1.257 0.982 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.312 -1.314 1.627 1.00 0.00 O ATOM 0 H ASP A 40 -6.895 -1.565 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.850 0.550 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.187 -0.793 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.247 0.683 -0.073 1.00 0.00 H new ATOM 577 N LEU A 41 -6.767 2.711 -1.394 1.00 0.00 N ATOM 578 CA LEU A 41 -6.379 3.972 -2.003 1.00 0.00 C ATOM 579 C LEU A 41 -5.255 4.606 -1.182 1.00 0.00 C ATOM 580 O LEU A 41 -5.130 4.343 0.013 1.00 0.00 O ATOM 581 CB LEU A 41 -7.598 4.879 -2.181 1.00 0.00 C ATOM 582 CG LEU A 41 -7.433 6.041 -3.162 1.00 0.00 C ATOM 583 CD1 LEU A 41 -8.055 5.706 -4.519 1.00 0.00 C ATOM 584 CD2 LEU A 41 -7.997 7.337 -2.577 1.00 0.00 C ATOM 0 H LEU A 41 -7.212 2.798 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.986 3.805 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.436 4.266 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.867 5.288 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.367 6.200 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.924 6.549 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.566 4.825 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.119 5.505 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.867 8.147 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.058 7.208 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.468 7.580 -1.655 1.00 0.00 H new ATOM 596 N VAL A 42 -4.465 5.429 -1.855 1.00 0.00 N ATOM 597 CA VAL A 42 -3.355 6.103 -1.202 1.00 0.00 C ATOM 598 C VAL A 42 -3.245 7.532 -1.739 1.00 0.00 C ATOM 599 O VAL A 42 -3.762 7.837 -2.813 1.00 0.00 O ATOM 600 CB VAL A 42 -2.070 5.294 -1.387 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.275 3.837 -0.970 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.567 5.386 -2.829 1.00 0.00 C ATOM 0 H VAL A 42 -4.571 5.645 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.528 6.172 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.307 5.724 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.346 3.284 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.565 3.796 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.060 3.391 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.652 4.802 -2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.327 4.994 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.363 6.427 -3.077 1.00 0.00 H new ATOM 612 N GLY A 43 -2.568 8.369 -0.967 1.00 0.00 N ATOM 613 CA GLY A 43 -2.383 9.758 -1.351 1.00 0.00 C ATOM 614 C GLY A 43 -0.897 10.105 -1.455 1.00 0.00 C ATOM 615 O GLY A 43 -0.212 10.228 -0.440 1.00 0.00 O ATOM 0 H GLY A 43 -2.141 8.112 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.871 9.942 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.862 10.408 -0.619 1.00 0.00 H new ATOM 619 N VAL A 44 -0.441 10.254 -2.690 1.00 0.00 N ATOM 620 CA VAL A 44 0.951 10.584 -2.939 1.00 0.00 C ATOM 621 C VAL A 44 1.389 11.690 -1.977 1.00 0.00 C ATOM 622 O VAL A 44 0.672 12.671 -1.787 1.00 0.00 O ATOM 623 CB VAL A 44 1.145 10.960 -4.410 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.410 11.800 -4.599 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.177 9.712 -5.295 1.00 0.00 C ATOM 0 H VAL A 44 -1.012 10.152 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 44 1.587 9.719 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 44 0.292 11.566 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.524 12.054 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.330 12.715 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.278 11.230 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.316 10.007 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.001 9.069 -4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.237 9.170 -5.194 1.00 0.00 H new ATOM 635 N ILE A 45 2.563 11.495 -1.396 1.00 0.00 N ATOM 636 CA ILE A 45 3.105 12.464 -0.458 1.00 0.00 C ATOM 637 C ILE A 45 4.435 12.997 -0.994 1.00 0.00 C ATOM 638 O ILE A 45 4.612 14.206 -1.134 1.00 0.00 O ATOM 639 CB ILE A 45 3.205 11.856 0.942 1.00 0.00 C ATOM 640 CG1 ILE A 45 1.848 11.879 1.649 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.292 12.551 1.765 1.00 0.00 C ATOM 642 CD1 ILE A 45 1.918 11.153 2.994 1.00 0.00 C ATOM 0 H ILE A 45 3.155 10.680 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 45 2.435 13.318 -0.362 1.00 0.00 H new ATOM 0 HB ILE A 45 3.497 10.811 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.532 12.911 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.096 11.408 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.342 12.100 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.254 12.438 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.055 13.611 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.941 11.184 3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.210 10.115 2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.653 11.642 3.633 1.00 0.00 H new ATOM 654 N LYS A 46 5.337 12.069 -1.279 1.00 0.00 N ATOM 655 CA LYS A 46 6.645 12.430 -1.796 1.00 0.00 C ATOM 656 C LYS A 46 6.876 11.719 -3.131 1.00 0.00 C ATOM 657 O LYS A 46 6.494 10.562 -3.296 1.00 0.00 O ATOM 658 CB LYS A 46 7.730 12.149 -0.754 1.00 0.00 C ATOM 659 CG LYS A 46 8.289 13.452 -0.178 1.00 0.00 C ATOM 660 CD LYS A 46 9.219 13.174 1.004 1.00 0.00 C ATOM 661 CE LYS A 46 9.120 14.284 2.053 1.00 0.00 C ATOM 662 NZ LYS A 46 8.475 13.777 3.285 1.00 0.00 N ATOM 0 H LYS A 46 5.187 11.067 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 46 6.694 13.501 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.318 11.539 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.536 11.573 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.832 13.993 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.468 14.093 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.961 12.217 1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.247 13.093 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.115 14.662 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.547 15.120 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.416 14.543 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.518 13.438 3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.038 12.994 3.674 1.00 0.00 H new ATOM 676 N LYS A 47 7.500 12.442 -4.049 1.00 0.00 N ATOM 677 CA LYS A 47 7.786 11.895 -5.365 1.00 0.00 C ATOM 678 C LYS A 47 9.270 11.531 -5.449 1.00 0.00 C ATOM 679 O LYS A 47 9.847 11.512 -6.536 1.00 0.00 O ATOM 680 CB LYS A 47 7.326 12.860 -6.458 1.00 0.00 C ATOM 681 CG LYS A 47 5.837 13.183 -6.314 1.00 0.00 C ATOM 682 CD LYS A 47 5.261 13.714 -7.628 1.00 0.00 C ATOM 683 CE LYS A 47 3.787 13.333 -7.774 1.00 0.00 C ATOM 684 NZ LYS A 47 2.992 14.499 -8.220 1.00 0.00 N ATOM 0 H LYS A 47 7.816 13.402 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 47 7.222 10.976 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.908 13.780 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.513 12.421 -7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.295 12.287 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.696 13.923 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.365 14.798 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.829 13.312 -8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.685 12.520 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.404 12.967 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.994 14.223 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.075 15.264 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.348 14.830 -9.139 1.00 0.00 H new ATOM 698 N LYS A 48 9.845 11.252 -4.289 1.00 0.00 N ATOM 699 CA LYS A 48 11.251 10.890 -4.218 1.00 0.00 C ATOM 700 C LYS A 48 11.503 10.087 -2.941 1.00 0.00 C ATOM 701 O LYS A 48 10.647 10.032 -2.059 1.00 0.00 O ATOM 702 CB LYS A 48 12.131 12.135 -4.346 1.00 0.00 C ATOM 703 CG LYS A 48 13.094 12.007 -5.528 1.00 0.00 C ATOM 704 CD LYS A 48 14.473 12.568 -5.176 1.00 0.00 C ATOM 705 CE LYS A 48 14.989 13.490 -6.282 1.00 0.00 C ATOM 706 NZ LYS A 48 16.331 14.012 -5.938 1.00 0.00 N ATOM 0 H LYS A 48 9.363 11.269 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 48 11.522 10.248 -5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.503 13.016 -4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.697 12.281 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.186 10.959 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.690 12.539 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.417 13.118 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.175 11.748 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.035 12.946 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.296 14.319 -6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.666 14.636 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.277 14.549 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.993 13.218 -5.824 1.00 0.00 H new ATOM 720 N ASP A 49 12.680 9.482 -2.883 1.00 0.00 N ATOM 721 CA ASP A 49 13.055 8.684 -1.728 1.00 0.00 C ATOM 722 C ASP A 49 14.482 9.041 -1.308 1.00 0.00 C ATOM 723 O ASP A 49 15.241 9.607 -2.094 1.00 0.00 O ATOM 724 CB ASP A 49 13.019 7.190 -2.056 1.00 0.00 C ATOM 725 CG ASP A 49 14.283 6.644 -2.724 1.00 0.00 C ATOM 726 OD1 ASP A 49 14.918 7.427 -3.462 1.00 0.00 O ATOM 727 OD2 ASP A 49 14.585 5.456 -2.480 1.00 0.00 O ATOM 0 H ASP A 49 13.387 9.528 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 49 12.346 8.895 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.845 6.635 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.168 6.997 -2.710 1.00 0.00 H new ATOM 732 N PRO A 50 14.814 8.687 -0.038 1.00 0.00 N ATOM 733 CA PRO A 50 16.136 8.964 0.496 1.00 0.00 C ATOM 734 C PRO A 50 17.174 7.999 -0.081 1.00 0.00 C ATOM 735 O PRO A 50 17.701 7.149 0.635 1.00 0.00 O ATOM 736 CB PRO A 50 15.985 8.843 2.004 1.00 0.00 C ATOM 737 CG PRO A 50 14.708 8.052 2.232 1.00 0.00 C ATOM 738 CD PRO A 50 13.941 8.016 0.921 1.00 0.00 C ATOM 0 HA PRO A 50 16.500 9.955 0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.843 8.334 2.443 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.924 9.826 2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.940 7.041 2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 50 14.106 8.516 3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.729 6.992 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.982 8.527 1.009 1.00 0.00 H new ATOM 746 N MET A 51 17.436 8.163 -1.369 1.00 0.00 N ATOM 747 CA MET A 51 18.401 7.316 -2.050 1.00 0.00 C ATOM 748 C MET A 51 18.838 7.940 -3.376 1.00 0.00 C ATOM 749 O MET A 51 20.020 7.920 -3.716 1.00 0.00 O ATOM 750 CB MET A 51 17.780 5.942 -2.312 1.00 0.00 C ATOM 751 CG MET A 51 18.079 4.977 -1.163 1.00 0.00 C ATOM 752 SD MET A 51 18.727 3.444 -1.807 1.00 0.00 S ATOM 753 CE MET A 51 17.222 2.491 -1.914 1.00 0.00 C ATOM 0 H MET A 51 16.997 8.870 -1.959 1.00 0.00 H new ATOM 0 HA MET A 51 19.279 7.212 -1.412 1.00 0.00 H new ATOM 0 HB2 MET A 51 16.702 6.044 -2.435 1.00 0.00 H new ATOM 0 HB3 MET A 51 18.170 5.535 -3.245 1.00 0.00 H new ATOM 0 HG2 MET A 51 18.798 5.426 -0.478 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.171 4.786 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 51 17.447 1.497 -2.301 1.00 0.00 H new ATOM 0 HE2 MET A 51 16.777 2.402 -0.923 1.00 0.00 H new ATOM 0 HE3 MET A 51 16.522 2.991 -2.583 1.00 0.00 H new ATOM 763 N GLY A 52 17.861 8.480 -4.090 1.00 0.00 N ATOM 764 CA GLY A 52 18.130 9.109 -5.372 1.00 0.00 C ATOM 765 C GLY A 52 17.483 8.324 -6.515 1.00 0.00 C ATOM 766 O GLY A 52 18.176 7.827 -7.401 1.00 0.00 O ATOM 0 H GLY A 52 16.882 8.495 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.750 10.130 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 52 19.206 9.171 -5.532 1.00 0.00 H new ATOM 770 N SER A 53 16.162 8.237 -6.457 1.00 0.00 N ATOM 771 CA SER A 53 15.414 7.521 -7.476 1.00 0.00 C ATOM 772 C SER A 53 13.982 8.055 -7.546 1.00 0.00 C ATOM 773 O SER A 53 13.262 8.042 -6.549 1.00 0.00 O ATOM 774 CB SER A 53 15.407 6.017 -7.199 1.00 0.00 C ATOM 775 OG SER A 53 15.615 5.254 -8.384 1.00 0.00 O ATOM 0 H SER A 53 15.591 8.651 -5.720 1.00 0.00 H new ATOM 0 HA SER A 53 15.903 7.684 -8.437 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.185 5.779 -6.473 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.455 5.736 -6.749 1.00 0.00 H new ATOM 0 HG SER A 53 15.605 4.299 -8.164 1.00 0.00 H new ATOM 781 N GLN A 54 13.612 8.512 -8.734 1.00 0.00 N ATOM 782 CA GLN A 54 12.279 9.049 -8.946 1.00 0.00 C ATOM 783 C GLN A 54 11.329 7.944 -9.412 1.00 0.00 C ATOM 784 O GLN A 54 10.266 8.225 -9.964 1.00 0.00 O ATOM 785 CB GLN A 54 12.307 10.205 -9.948 1.00 0.00 C ATOM 786 CG GLN A 54 12.947 9.772 -11.268 1.00 0.00 C ATOM 787 CD GLN A 54 11.993 10.004 -12.442 1.00 0.00 C ATOM 788 OE1 GLN A 54 11.839 11.106 -12.941 1.00 0.00 O ATOM 789 NE2 GLN A 54 11.364 8.907 -12.853 1.00 0.00 N ATOM 0 H GLN A 54 14.212 8.521 -9.559 1.00 0.00 H new ATOM 0 HA GLN A 54 11.912 9.441 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.292 10.557 -10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.864 11.042 -9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.870 10.329 -11.429 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.217 8.717 -11.217 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.539 8.015 -12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.706 8.957 -13.631 1.00 0.00 H new ATOM 798 N ASN A 55 11.747 6.709 -9.173 1.00 0.00 N ATOM 799 CA ASN A 55 10.947 5.560 -9.561 1.00 0.00 C ATOM 800 C ASN A 55 10.011 5.183 -8.411 1.00 0.00 C ATOM 801 O ASN A 55 8.869 4.788 -8.639 1.00 0.00 O ATOM 802 CB ASN A 55 11.832 4.350 -9.866 1.00 0.00 C ATOM 803 CG ASN A 55 12.731 4.619 -11.075 1.00 0.00 C ATOM 804 OD1 ASN A 55 13.280 5.695 -11.246 1.00 0.00 O ATOM 805 ND2 ASN A 55 12.850 3.584 -11.901 1.00 0.00 N ATOM 0 H ASN A 55 12.629 6.480 -8.716 1.00 0.00 H new ATOM 0 HA ASN A 55 10.383 5.829 -10.454 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.446 4.116 -8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.208 3.478 -10.059 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.428 3.663 -12.737 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.363 2.711 -11.698 1.00 0.00 H new ATOM 812 N ARG A 56 10.531 5.319 -7.199 1.00 0.00 N ATOM 813 CA ARG A 56 9.756 4.998 -6.013 1.00 0.00 C ATOM 814 C ARG A 56 9.291 6.280 -5.320 1.00 0.00 C ATOM 815 O ARG A 56 10.105 7.138 -4.981 1.00 0.00 O ATOM 816 CB ARG A 56 10.578 4.164 -5.028 1.00 0.00 C ATOM 817 CG ARG A 56 9.668 3.410 -4.055 1.00 0.00 C ATOM 818 CD ARG A 56 10.489 2.557 -3.086 1.00 0.00 C ATOM 819 NE ARG A 56 11.315 1.588 -3.840 1.00 0.00 N ATOM 820 CZ ARG A 56 12.547 1.848 -4.298 1.00 0.00 C ATOM 821 NH1 ARG A 56 13.103 3.047 -4.083 1.00 0.00 N ATOM 822 NH2 ARG A 56 13.223 0.907 -4.972 1.00 0.00 N ATOM 0 H ARG A 56 11.479 5.647 -7.014 1.00 0.00 H new ATOM 0 HA ARG A 56 8.890 4.417 -6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.198 3.454 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.253 4.814 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.061 4.121 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.981 2.774 -4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.128 3.197 -2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.825 2.027 -2.403 1.00 0.00 H new ATOM 0 HE ARG A 56 10.922 0.665 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.589 3.763 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.041 3.244 -4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.799 -0.006 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.161 1.104 -5.321 1.00 0.00 H new ATOM 836 N TRP A 57 7.983 6.370 -5.129 1.00 0.00 N ATOM 837 CA TRP A 57 7.399 7.533 -4.482 1.00 0.00 C ATOM 838 C TRP A 57 6.852 7.094 -3.123 1.00 0.00 C ATOM 839 O TRP A 57 6.618 5.907 -2.898 1.00 0.00 O ATOM 840 CB TRP A 57 6.337 8.181 -5.373 1.00 0.00 C ATOM 841 CG TRP A 57 6.901 8.856 -6.625 1.00 0.00 C ATOM 842 CD1 TRP A 57 8.187 9.014 -6.968 1.00 0.00 C ATOM 843 CD2 TRP A 57 6.142 9.460 -7.693 1.00 0.00 C ATOM 844 NE1 TRP A 57 8.311 9.674 -8.174 1.00 0.00 N ATOM 845 CE2 TRP A 57 7.028 9.954 -8.628 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.752 9.586 -7.862 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.622 10.607 -9.799 1.00 0.00 C ATOM 848 CZ3 TRP A 57 4.362 10.240 -9.037 1.00 0.00 C ATOM 849 CH2 TRP A 57 5.242 10.743 -9.989 1.00 0.00 C ATOM 0 H TRP A 57 7.311 5.656 -5.411 1.00 0.00 H new ATOM 0 HA TRP A 57 8.153 8.303 -4.321 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.618 7.420 -5.676 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.790 8.921 -4.789 1.00 0.00 H new ATOM 0 HD1 TRP A 57 9.021 8.668 -6.375 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.184 9.912 -8.645 1.00 0.00 H new ATOM 0 HE3 TRP A 57 4.041 9.208 -7.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.335 10.985 -10.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.304 10.362 -9.216 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.862 11.237 -10.871 1.00 0.00 H new ATOM 860 N LEU A 58 6.664 8.074 -2.251 1.00 0.00 N ATOM 861 CA LEU A 58 6.148 7.803 -0.920 1.00 0.00 C ATOM 862 C LEU A 58 4.660 8.154 -0.873 1.00 0.00 C ATOM 863 O LEU A 58 4.262 9.244 -1.282 1.00 0.00 O ATOM 864 CB LEU A 58 6.985 8.527 0.136 1.00 0.00 C ATOM 865 CG LEU A 58 6.431 8.505 1.562 1.00 0.00 C ATOM 866 CD1 LEU A 58 5.245 9.460 1.704 1.00 0.00 C ATOM 867 CD2 LEU A 58 6.074 7.080 1.989 1.00 0.00 C ATOM 0 H LEU A 58 6.860 9.057 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 58 6.232 6.741 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.981 8.084 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.102 9.566 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 58 7.211 8.858 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.870 9.425 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.565 10.475 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.453 9.161 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.683 7.092 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.319 6.676 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.966 6.455 1.951 1.00 0.00 H new ATOM 879 N ILE A 59 3.878 7.210 -0.370 1.00 0.00 N ATOM 880 CA ILE A 59 2.442 7.406 -0.264 1.00 0.00 C ATOM 881 C ILE A 59 1.975 6.979 1.129 1.00 0.00 C ATOM 882 O ILE A 59 2.715 6.325 1.862 1.00 0.00 O ATOM 883 CB ILE A 59 1.717 6.686 -1.403 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.850 5.168 -1.266 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.207 7.184 -2.765 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.017 4.649 -0.093 1.00 0.00 C ATOM 0 H ILE A 59 4.212 6.307 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 59 2.193 8.461 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 59 0.655 6.923 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.526 4.686 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.897 4.903 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.676 6.657 -3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.017 8.254 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.277 6.996 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.129 3.567 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.360 5.115 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.033 4.895 -0.255 1.00 0.00 H new ATOM 898 N ASP A 60 0.749 7.366 1.451 1.00 0.00 N ATOM 899 CA ASP A 60 0.175 7.031 2.743 1.00 0.00 C ATOM 900 C ASP A 60 -1.009 6.083 2.540 1.00 0.00 C ATOM 901 O ASP A 60 -1.945 6.401 1.809 1.00 0.00 O ATOM 902 CB ASP A 60 -0.339 8.282 3.459 1.00 0.00 C ATOM 903 CG ASP A 60 -0.774 8.065 4.909 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.132 7.911 5.757 1.00 0.00 O ATOM 905 OD2 ASP A 60 -2.003 8.057 5.138 1.00 0.00 O ATOM 0 H ASP A 60 0.138 7.908 0.840 1.00 0.00 H new ATOM 0 HA ASP A 60 0.953 6.564 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.444 9.040 3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.184 8.682 2.898 1.00 0.00 H new ATOM 910 N ASN A 61 -0.928 4.937 3.200 1.00 0.00 N ATOM 911 CA ASN A 61 -1.981 3.940 3.101 1.00 0.00 C ATOM 912 C ASN A 61 -3.095 4.281 4.092 1.00 0.00 C ATOM 913 O ASN A 61 -4.012 3.488 4.298 1.00 0.00 O ATOM 914 CB ASN A 61 -1.453 2.546 3.444 1.00 0.00 C ATOM 915 CG ASN A 61 -0.721 2.551 4.787 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.397 3.588 5.342 1.00 0.00 O ATOM 917 ND2 ASN A 61 -0.479 1.339 5.276 1.00 0.00 N ATOM 0 H ASN A 61 -0.150 4.676 3.805 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.353 3.943 2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.281 1.838 3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.777 2.206 2.659 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.005 1.236 6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.778 0.512 4.760 1.00 0.00 H new ATOM 924 N GLY A 62 -2.979 5.463 4.680 1.00 0.00 N ATOM 925 CA GLY A 62 -3.965 5.919 5.645 1.00 0.00 C ATOM 926 C GLY A 62 -3.485 5.673 7.077 1.00 0.00 C ATOM 927 O GLY A 62 -3.756 6.472 7.972 1.00 0.00 O ATOM 0 H GLY A 62 -2.217 6.119 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.157 6.982 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.909 5.399 5.480 1.00 0.00 H new ATOM 931 N VAL A 63 -2.781 4.564 7.249 1.00 0.00 N ATOM 932 CA VAL A 63 -2.261 4.203 8.557 1.00 0.00 C ATOM 933 C VAL A 63 -0.823 4.709 8.687 1.00 0.00 C ATOM 934 O VAL A 63 -0.469 5.335 9.685 1.00 0.00 O ATOM 935 CB VAL A 63 -2.384 2.693 8.771 1.00 0.00 C ATOM 936 CG1 VAL A 63 -3.852 2.261 8.795 1.00 0.00 C ATOM 937 CG2 VAL A 63 -1.604 1.922 7.704 1.00 0.00 C ATOM 0 H VAL A 63 -2.558 3.903 6.504 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.846 4.678 9.344 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.948 2.456 9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.912 1.184 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.369 2.772 9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.323 2.519 7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.708 0.851 7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.997 2.168 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.550 2.197 7.754 1.00 0.00 H new ATOM 947 N THR A 64 -0.033 4.420 7.664 1.00 0.00 N ATOM 948 CA THR A 64 1.359 4.839 7.651 1.00 0.00 C ATOM 949 C THR A 64 1.756 5.326 6.256 1.00 0.00 C ATOM 950 O THR A 64 0.895 5.601 5.422 1.00 0.00 O ATOM 951 CB THR A 64 2.209 3.669 8.151 1.00 0.00 C ATOM 952 OG1 THR A 64 3.534 4.191 8.181 1.00 0.00 O ATOM 953 CG2 THR A 64 2.282 2.523 7.140 1.00 0.00 C ATOM 0 H THR A 64 -0.330 3.901 6.838 1.00 0.00 H new ATOM 0 HA THR A 64 1.524 5.687 8.316 1.00 0.00 H new ATOM 0 HB THR A 64 1.799 3.298 9.090 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.519 5.102 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.897 1.719 7.545 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.278 2.147 6.943 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.723 2.885 6.211 1.00 0.00 H new ATOM 961 N LYS A 65 3.061 5.417 6.046 1.00 0.00 N ATOM 962 CA LYS A 65 3.584 5.866 4.767 1.00 0.00 C ATOM 963 C LYS A 65 4.449 4.761 4.158 1.00 0.00 C ATOM 964 O LYS A 65 5.426 4.327 4.766 1.00 0.00 O ATOM 965 CB LYS A 65 4.313 7.202 4.925 1.00 0.00 C ATOM 966 CG LYS A 65 3.341 8.376 4.797 1.00 0.00 C ATOM 967 CD LYS A 65 3.581 9.409 5.899 1.00 0.00 C ATOM 968 CE LYS A 65 4.059 10.738 5.311 1.00 0.00 C ATOM 969 NZ LYS A 65 5.365 11.122 5.891 1.00 0.00 N ATOM 0 H LYS A 65 3.772 5.187 6.740 1.00 0.00 H new ATOM 0 HA LYS A 65 2.770 6.055 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.807 7.238 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.093 7.287 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.460 8.846 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.315 8.011 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.661 9.566 6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.323 9.030 6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.147 10.653 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.323 11.517 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.675 12.026 5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.271 11.224 6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.069 10.387 5.679 1.00 0.00 H new ATOM 983 N GLY A 66 4.059 4.338 2.964 1.00 0.00 N ATOM 984 CA GLY A 66 4.787 3.292 2.266 1.00 0.00 C ATOM 985 C GLY A 66 5.272 3.780 0.900 1.00 0.00 C ATOM 986 O GLY A 66 4.621 4.608 0.265 1.00 0.00 O ATOM 0 H GLY A 66 3.248 4.701 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.639 2.974 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.145 2.420 2.138 1.00 0.00 H new ATOM 990 N PHE A 67 6.413 3.246 0.488 1.00 0.00 N ATOM 991 CA PHE A 67 6.993 3.616 -0.791 1.00 0.00 C ATOM 992 C PHE A 67 6.653 2.584 -1.868 1.00 0.00 C ATOM 993 O PHE A 67 6.954 1.401 -1.716 1.00 0.00 O ATOM 994 CB PHE A 67 8.511 3.654 -0.600 1.00 0.00 C ATOM 995 CG PHE A 67 9.013 4.887 0.155 1.00 0.00 C ATOM 996 CD1 PHE A 67 8.585 5.128 1.424 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.886 5.741 -0.442 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.051 6.272 2.124 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.351 6.885 0.258 1.00 0.00 C ATOM 1000 CZ PHE A 67 9.924 7.126 1.527 1.00 0.00 C ATOM 0 H PHE A 67 6.951 2.560 1.018 1.00 0.00 H new ATOM 0 HA PHE A 67 6.598 4.580 -1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.821 2.759 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.991 3.619 -1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.891 4.450 1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.226 5.549 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.712 6.464 3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.044 7.564 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.279 7.996 2.060 1.00 0.00 H new ATOM 1010 N VAL A 68 6.030 3.070 -2.932 1.00 0.00 N ATOM 1011 CA VAL A 68 5.645 2.204 -4.033 1.00 0.00 C ATOM 1012 C VAL A 68 5.867 2.939 -5.356 1.00 0.00 C ATOM 1013 O VAL A 68 5.798 4.166 -5.408 1.00 0.00 O ATOM 1014 CB VAL A 68 4.202 1.731 -3.848 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.085 0.779 -2.656 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.251 2.920 -3.695 1.00 0.00 C ATOM 0 H VAL A 68 5.783 4.052 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 68 6.267 1.309 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 68 3.912 1.183 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.049 0.458 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.719 -0.092 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.403 1.292 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.232 2.556 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.540 3.508 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.302 3.544 -4.587 1.00 0.00 H new ATOM 1026 N TYR A 69 6.130 2.158 -6.394 1.00 0.00 N ATOM 1027 CA TYR A 69 6.364 2.720 -7.713 1.00 0.00 C ATOM 1028 C TYR A 69 5.065 3.256 -8.318 1.00 0.00 C ATOM 1029 O TYR A 69 4.085 2.523 -8.443 1.00 0.00 O ATOM 1030 CB TYR A 69 6.877 1.567 -8.578 1.00 0.00 C ATOM 1031 CG TYR A 69 8.367 1.269 -8.397 1.00 0.00 C ATOM 1032 CD1 TYR A 69 8.917 1.245 -7.131 1.00 0.00 C ATOM 1033 CD2 TYR A 69 9.161 1.025 -9.499 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.319 0.965 -6.961 1.00 0.00 C ATOM 1035 CE2 TYR A 69 10.563 0.745 -9.329 1.00 0.00 C ATOM 1036 CZ TYR A 69 11.073 0.728 -8.068 1.00 0.00 C ATOM 1037 OH TYR A 69 12.397 0.464 -7.907 1.00 0.00 O ATOM 0 H TYR A 69 6.186 1.141 -6.348 1.00 0.00 H new ATOM 0 HA TYR A 69 7.071 3.548 -7.658 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.306 0.669 -8.344 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.688 1.800 -9.626 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.296 1.436 -6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.731 1.044 -10.489 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.762 0.944 -5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 69 11.195 0.553 -10.183 1.00 0.00 H new ATOM 0 HH TYR A 69 12.809 0.314 -8.783 1.00 0.00 H new ATOM 1047 N SER A 70 5.099 4.531 -8.678 1.00 0.00 N ATOM 1048 CA SER A 70 3.936 5.174 -9.267 1.00 0.00 C ATOM 1049 C SER A 70 3.237 4.211 -10.228 1.00 0.00 C ATOM 1050 O SER A 70 2.023 4.287 -10.414 1.00 0.00 O ATOM 1051 CB SER A 70 4.329 6.460 -9.996 1.00 0.00 C ATOM 1052 OG SER A 70 5.469 6.274 -10.831 1.00 0.00 O ATOM 0 H SER A 70 5.913 5.136 -8.573 1.00 0.00 H new ATOM 0 HA SER A 70 3.248 5.439 -8.464 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.490 6.805 -10.600 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.539 7.241 -9.265 1.00 0.00 H new ATOM 0 HG SER A 70 5.687 7.117 -11.280 1.00 0.00 H new ATOM 1058 N SER A 71 4.032 3.328 -10.814 1.00 0.00 N ATOM 1059 CA SER A 71 3.505 2.351 -11.751 1.00 0.00 C ATOM 1060 C SER A 71 2.413 1.517 -11.078 1.00 0.00 C ATOM 1061 O SER A 71 1.323 1.356 -11.626 1.00 0.00 O ATOM 1062 CB SER A 71 4.615 1.443 -12.284 1.00 0.00 C ATOM 1063 OG SER A 71 4.830 1.626 -13.680 1.00 0.00 O ATOM 0 H SER A 71 5.038 3.269 -10.658 1.00 0.00 H new ATOM 0 HA SER A 71 3.075 2.886 -12.597 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.540 1.647 -11.745 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.356 0.402 -12.090 1.00 0.00 H new ATOM 0 HG SER A 71 5.547 1.030 -13.981 1.00 0.00 H new ATOM 1069 N PHE A 72 2.743 1.008 -9.901 1.00 0.00 N ATOM 1070 CA PHE A 72 1.804 0.194 -9.147 1.00 0.00 C ATOM 1071 C PHE A 72 0.624 1.033 -8.654 1.00 0.00 C ATOM 1072 O PHE A 72 -0.338 0.496 -8.107 1.00 0.00 O ATOM 1073 CB PHE A 72 2.562 -0.360 -7.939 1.00 0.00 C ATOM 1074 CG PHE A 72 3.292 -1.676 -8.211 1.00 0.00 C ATOM 1075 CD1 PHE A 72 4.539 -1.662 -8.755 1.00 0.00 C ATOM 1076 CD2 PHE A 72 2.695 -2.860 -7.910 1.00 0.00 C ATOM 1077 CE1 PHE A 72 5.217 -2.884 -9.008 1.00 0.00 C ATOM 1078 CE2 PHE A 72 3.373 -4.082 -8.163 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.619 -4.068 -8.707 1.00 0.00 C ATOM 0 H PHE A 72 3.648 1.143 -9.450 1.00 0.00 H new ATOM 0 HA PHE A 72 1.410 -0.602 -9.779 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.287 0.383 -7.606 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.859 -0.509 -7.119 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.013 -0.722 -8.994 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.705 -2.871 -7.478 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.207 -2.873 -9.439 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.899 -5.022 -7.923 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.134 -4.997 -8.900 1.00 0.00 H new ATOM 1089 N LEU A 73 0.736 2.336 -8.866 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.310 3.255 -8.450 1.00 0.00 C ATOM 1091 C LEU A 73 -1.010 3.819 -9.688 1.00 0.00 C ATOM 1092 O LEU A 73 -0.452 3.797 -10.784 1.00 0.00 O ATOM 1093 CB LEU A 73 0.259 4.330 -7.522 1.00 0.00 C ATOM 1094 CG LEU A 73 0.877 3.829 -6.215 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.686 4.934 -5.532 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.194 3.248 -5.289 1.00 0.00 C ATOM 0 H LEU A 73 1.535 2.777 -9.321 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.067 2.731 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.018 4.889 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.539 5.031 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 73 1.570 3.022 -6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.114 4.552 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.487 5.261 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.033 5.778 -5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.272 2.899 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.929 4.018 -5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.689 2.412 -5.784 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.221 4.310 -9.471 1.00 0.00 N ATOM 1109 CA LYS A 74 -3.003 4.879 -10.556 1.00 0.00 C ATOM 1110 C LYS A 74 -3.714 6.139 -10.060 1.00 0.00 C ATOM 1111 O LYS A 74 -4.082 6.229 -8.890 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.949 3.829 -11.142 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.835 3.221 -10.053 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.280 3.706 -10.187 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.236 2.530 -10.393 1.00 0.00 C ATOM 1116 NZ LYS A 74 -7.382 2.226 -11.834 1.00 0.00 N ATOM 0 H LYS A 74 -2.680 4.326 -8.560 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.353 5.182 -11.377 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.573 4.285 -11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.370 3.042 -11.626 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.805 2.133 -10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.447 3.491 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.566 4.259 -9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.360 4.395 -11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.861 1.652 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.210 2.766 -9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.034 1.425 -11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.761 3.059 -12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.454 1.980 -12.233 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.890 7.107 -10.999 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.551 8.359 -10.669 1.00 0.00 C ATOM 1132 C PRO A 75 -6.063 8.162 -10.537 1.00 0.00 C ATOM 1133 O PRO A 75 -6.734 7.814 -11.507 1.00 0.00 O ATOM 1134 CB PRO A 75 -4.171 9.312 -11.791 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.699 8.436 -12.940 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.467 7.036 -12.394 1.00 0.00 C ATOM 0 HA PRO A 75 -4.240 8.758 -9.704 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.023 9.923 -12.090 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.384 9.996 -11.473 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.443 8.417 -13.736 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.781 8.834 -13.372 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.045 6.295 -12.946 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.419 6.748 -12.476 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.554 8.395 -9.329 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.974 8.249 -9.058 1.00 0.00 C ATOM 1146 C TYR A 76 -8.775 9.386 -9.696 1.00 0.00 C ATOM 1147 O TYR A 76 -8.198 10.314 -10.262 1.00 0.00 O ATOM 1148 CB TYR A 76 -8.124 8.326 -7.538 1.00 0.00 C ATOM 1149 CG TYR A 76 -9.557 8.126 -7.042 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -10.253 6.985 -7.385 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -10.154 9.088 -6.253 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -11.603 6.797 -6.918 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.504 8.901 -5.787 1.00 0.00 C ATOM 1154 CZ TYR A 76 -12.162 7.765 -6.142 1.00 0.00 C ATOM 1155 OH TYR A 76 -13.436 7.587 -5.702 1.00 0.00 O ATOM 0 H TYR A 76 -5.994 8.684 -8.527 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.347 7.311 -9.468 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.484 7.571 -7.082 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.765 9.297 -7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.786 6.233 -8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.609 9.981 -5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.159 5.908 -7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.983 9.646 -5.169 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.623 8.220 -4.977 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.090 9.278 -9.582 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.975 10.286 -10.140 1.00 0.00 C ATOM 1167 C ASN A 77 -12.399 10.045 -9.633 1.00 0.00 C ATOM 1168 O ASN A 77 -13.165 9.307 -10.251 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.999 10.214 -11.668 1.00 0.00 C ATOM 1170 CG ASN A 77 -10.121 11.306 -12.282 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -10.054 12.426 -11.805 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -9.453 10.917 -13.365 1.00 0.00 N ATOM 0 H ASN A 77 -10.564 8.507 -9.111 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.608 11.265 -9.831 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.650 9.235 -11.995 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.023 10.322 -12.025 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.839 11.573 -13.848 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.555 9.963 -13.712 1.00 0.00 H new ATOM 1179 N PRO A 78 -12.718 10.699 -8.484 1.00 0.00 N ATOM 1180 CA PRO A 78 -14.036 10.564 -7.888 1.00 0.00 C ATOM 1181 C PRO A 78 -15.078 11.363 -8.673 1.00 0.00 C ATOM 1182 O PRO A 78 -16.251 11.392 -8.303 1.00 0.00 O ATOM 1183 CB PRO A 78 -13.872 11.048 -6.456 1.00 0.00 C ATOM 1184 CG PRO A 78 -12.592 11.868 -6.438 1.00 0.00 C ATOM 1185 CD PRO A 78 -11.837 11.582 -7.726 1.00 0.00 C ATOM 0 HA PRO A 78 -14.403 9.538 -7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.726 11.650 -6.147 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.808 10.208 -5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.821 12.931 -6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.983 11.606 -5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.629 12.500 -8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.877 11.106 -7.525 1.00 0.00 H new ATOM 1193 N ARG A 79 -14.613 11.991 -9.742 1.00 0.00 N ATOM 1194 CA ARG A 79 -15.490 12.788 -10.583 1.00 0.00 C ATOM 1195 C ARG A 79 -16.312 11.882 -11.502 1.00 0.00 C ATOM 1196 O ARG A 79 -15.777 11.293 -12.440 1.00 0.00 O ATOM 1197 CB ARG A 79 -14.689 13.775 -11.435 1.00 0.00 C ATOM 1198 CG ARG A 79 -14.894 15.211 -10.948 1.00 0.00 C ATOM 1199 CD ARG A 79 -15.615 16.050 -12.005 1.00 0.00 C ATOM 1200 NE ARG A 79 -14.737 17.149 -12.465 1.00 0.00 N ATOM 1201 CZ ARG A 79 -13.719 16.988 -13.321 1.00 0.00 C ATOM 1202 NH1 ARG A 79 -13.444 15.773 -13.815 1.00 0.00 N ATOM 1203 NH2 ARG A 79 -12.975 18.042 -13.683 1.00 0.00 N ATOM 0 H ARG A 79 -13.640 11.964 -10.046 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.157 13.349 -9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.630 13.521 -11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.996 13.693 -12.478 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.473 15.207 -10.025 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.929 15.662 -10.717 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -15.897 15.421 -12.850 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -16.536 16.459 -11.590 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.918 18.087 -12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.010 14.970 -13.539 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.669 15.651 -14.467 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.184 18.967 -13.307 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.200 17.919 -14.335 1.00 0.00 H new ATOM 1217 N ARG A 80 -17.599 11.798 -11.200 1.00 0.00 N ATOM 1218 CA ARG A 80 -18.500 10.973 -11.987 1.00 0.00 C ATOM 1219 C ARG A 80 -19.814 11.716 -12.240 1.00 0.00 C ATOM 1220 O ARG A 80 -20.235 11.867 -13.387 1.00 0.00 O ATOM 1221 CB ARG A 80 -18.799 9.651 -11.277 1.00 0.00 C ATOM 1222 CG ARG A 80 -19.393 8.630 -12.249 1.00 0.00 C ATOM 1223 CD ARG A 80 -19.819 7.357 -11.513 1.00 0.00 C ATOM 1224 NE ARG A 80 -18.718 6.368 -11.536 1.00 0.00 N ATOM 1225 CZ ARG A 80 -17.733 6.319 -10.629 1.00 0.00 C ATOM 1226 NH1 ARG A 80 -17.705 7.203 -9.622 1.00 0.00 N ATOM 1227 NH2 ARG A 80 -16.776 5.386 -10.729 1.00 0.00 N ATOM 0 H ARG A 80 -18.040 12.288 -10.421 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.010 10.759 -12.937 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -17.883 9.253 -10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -19.494 9.824 -10.456 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -20.253 9.065 -12.759 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.659 8.383 -13.016 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -20.085 7.594 -10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -20.708 6.935 -11.983 1.00 0.00 H new ATOM 0 HE ARG A 80 -18.709 5.681 -12.290 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.433 7.913 -9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.955 7.166 -8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.798 4.713 -11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.026 5.349 -10.039 1.00 0.00 H new ATOM 1241 N SER A 81 -20.425 12.160 -11.152 1.00 0.00 N ATOM 1242 CA SER A 81 -21.683 12.883 -11.242 1.00 0.00 C ATOM 1243 C SER A 81 -22.192 13.224 -9.840 1.00 0.00 C ATOM 1244 O SER A 81 -22.231 14.392 -9.458 1.00 0.00 O ATOM 1245 CB SER A 81 -22.731 12.071 -12.005 1.00 0.00 C ATOM 1246 OG SER A 81 -23.024 12.639 -13.278 1.00 0.00 O ATOM 0 H SER A 81 -20.073 12.033 -10.203 1.00 0.00 H new ATOM 0 HA SER A 81 -21.508 13.807 -11.792 1.00 0.00 H new ATOM 0 HB2 SER A 81 -22.373 11.050 -12.137 1.00 0.00 H new ATOM 0 HB3 SER A 81 -23.645 12.014 -11.415 1.00 0.00 H new ATOM 0 HG SER A 81 -22.216 12.633 -13.833 1.00 0.00 H new ATOM 1252 N HIS A 82 -22.569 12.183 -9.113 1.00 0.00 N ATOM 1253 CA HIS A 82 -23.074 12.357 -7.762 1.00 0.00 C ATOM 1254 C HIS A 82 -23.268 10.989 -7.105 1.00 0.00 C ATOM 1255 O HIS A 82 -24.072 10.182 -7.571 1.00 0.00 O ATOM 1256 CB HIS A 82 -24.350 13.201 -7.764 1.00 0.00 C ATOM 1257 CG HIS A 82 -24.306 14.383 -6.825 1.00 0.00 C ATOM 1258 ND1 HIS A 82 -25.172 14.523 -5.755 1.00 0.00 N ATOM 1259 CD2 HIS A 82 -23.492 15.477 -6.808 1.00 0.00 C ATOM 1260 CE1 HIS A 82 -24.884 15.655 -5.129 1.00 0.00 C ATOM 1261 NE2 HIS A 82 -23.843 16.245 -5.783 1.00 0.00 N ATOM 0 H HIS A 82 -22.535 11.215 -9.434 1.00 0.00 H new ATOM 0 HA HIS A 82 -22.345 12.906 -7.166 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -24.534 13.561 -8.776 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -25.194 12.566 -7.493 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.697 15.684 -7.509 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -25.386 16.042 -4.254 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.406 17.130 -5.527 1.00 0.00 H new ATOM 1269 N SER A 83 -22.519 10.770 -6.035 1.00 0.00 N ATOM 1270 CA SER A 83 -22.599 9.513 -5.310 1.00 0.00 C ATOM 1271 C SER A 83 -22.524 9.772 -3.804 1.00 0.00 C ATOM 1272 O SER A 83 -23.429 9.396 -3.061 1.00 0.00 O ATOM 1273 CB SER A 83 -21.484 8.557 -5.740 1.00 0.00 C ATOM 1274 OG SER A 83 -21.986 7.454 -6.490 1.00 0.00 O ATOM 0 H SER A 83 -21.854 11.442 -5.652 1.00 0.00 H new ATOM 0 HA SER A 83 -23.554 9.043 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 83 -20.752 9.099 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 83 -20.963 8.188 -4.857 1.00 0.00 H new ATOM 0 HG SER A 83 -21.244 6.868 -6.747 1.00 0.00 H new ATOM 1280 N ASP A 84 -21.437 10.411 -3.399 1.00 0.00 N ATOM 1281 CA ASP A 84 -21.233 10.725 -1.995 1.00 0.00 C ATOM 1282 C ASP A 84 -21.189 9.426 -1.188 1.00 0.00 C ATOM 1283 O ASP A 84 -22.169 8.684 -1.146 1.00 0.00 O ATOM 1284 CB ASP A 84 -22.377 11.582 -1.450 1.00 0.00 C ATOM 1285 CG ASP A 84 -22.499 12.972 -2.077 1.00 0.00 C ATOM 1286 OD1 ASP A 84 -23.171 13.064 -3.126 1.00 0.00 O ATOM 1287 OD2 ASP A 84 -21.917 13.911 -1.492 1.00 0.00 O ATOM 0 H ASP A 84 -20.688 10.720 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 84 -20.296 11.275 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -23.315 11.048 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -22.245 11.696 -0.374 1.00 0.00 H new ATOM 1292 N ALA A 85 -20.043 9.190 -0.567 1.00 0.00 N ATOM 1293 CA ALA A 85 -19.859 7.994 0.236 1.00 0.00 C ATOM 1294 C ALA A 85 -19.207 8.374 1.568 1.00 0.00 C ATOM 1295 O ALA A 85 -18.405 9.304 1.627 1.00 0.00 O ATOM 1296 CB ALA A 85 -19.030 6.974 -0.548 1.00 0.00 C ATOM 0 H ALA A 85 -19.232 9.808 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 85 -20.820 7.531 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.892 6.077 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -19.549 6.715 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -18.057 7.403 -0.788 1.00 0.00 H new ATOM 1302 N SER A 86 -19.577 7.634 2.603 1.00 0.00 N ATOM 1303 CA SER A 86 -19.039 7.882 3.930 1.00 0.00 C ATOM 1304 C SER A 86 -19.283 9.338 4.330 1.00 0.00 C ATOM 1305 O SER A 86 -19.685 10.154 3.502 1.00 0.00 O ATOM 1306 CB SER A 86 -17.544 7.559 3.987 1.00 0.00 C ATOM 1307 OG SER A 86 -17.305 6.197 4.331 1.00 0.00 O ATOM 0 H SER A 86 -20.243 6.863 2.550 1.00 0.00 H new ATOM 0 HA SER A 86 -19.552 7.228 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.090 7.774 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.061 8.208 4.717 1.00 0.00 H new ATOM 0 HG SER A 86 -16.340 6.030 4.355 1.00 0.00 H new ATOM 1313 N SER A 87 -19.029 9.620 5.599 1.00 0.00 N ATOM 1314 CA SER A 87 -19.216 10.964 6.119 1.00 0.00 C ATOM 1315 C SER A 87 -18.281 11.200 7.307 1.00 0.00 C ATOM 1316 O SER A 87 -17.476 12.130 7.293 1.00 0.00 O ATOM 1317 CB SER A 87 -20.670 11.197 6.534 1.00 0.00 C ATOM 1318 OG SER A 87 -21.407 11.890 5.530 1.00 0.00 O ATOM 0 H SER A 87 -18.695 8.941 6.283 1.00 0.00 H new ATOM 0 HA SER A 87 -18.974 11.673 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 87 -21.147 10.238 6.737 1.00 0.00 H new ATOM 0 HB3 SER A 87 -20.695 11.769 7.462 1.00 0.00 H new ATOM 0 HG SER A 87 -21.129 11.575 4.644 1.00 0.00 H new ATOM 1324 N GLY A 88 -18.419 10.342 8.308 1.00 0.00 N ATOM 1325 CA GLY A 88 -17.597 10.446 9.501 1.00 0.00 C ATOM 1326 C GLY A 88 -18.415 10.959 10.687 1.00 0.00 C ATOM 1327 O GLY A 88 -18.361 12.143 11.017 1.00 0.00 O ATOM 0 H GLY A 88 -19.088 9.572 8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.174 9.471 9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -16.761 11.119 9.313 1.00 0.00 H new ATOM 1331 N PRO A 89 -19.173 10.019 11.313 1.00 0.00 N ATOM 1332 CA PRO A 89 -20.001 10.364 12.456 1.00 0.00 C ATOM 1333 C PRO A 89 -19.148 10.562 13.711 1.00 0.00 C ATOM 1334 O PRO A 89 -17.944 10.315 13.693 1.00 0.00 O ATOM 1335 CB PRO A 89 -20.991 9.218 12.585 1.00 0.00 C ATOM 1336 CG PRO A 89 -20.390 8.059 11.807 1.00 0.00 C ATOM 1337 CD PRO A 89 -19.261 8.608 10.950 1.00 0.00 C ATOM 0 HA PRO A 89 -20.524 11.311 12.326 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -21.144 8.949 13.630 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -21.965 9.496 12.182 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -20.015 7.295 12.489 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -21.147 7.585 11.183 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -18.324 8.089 11.150 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -19.474 8.485 9.888 1.00 0.00 H new ATOM 1345 N SER A 90 -19.808 11.006 14.771 1.00 0.00 N ATOM 1346 CA SER A 90 -19.126 11.240 16.033 1.00 0.00 C ATOM 1347 C SER A 90 -18.367 9.981 16.458 1.00 0.00 C ATOM 1348 O SER A 90 -18.957 8.910 16.585 1.00 0.00 O ATOM 1349 CB SER A 90 -20.113 11.658 17.124 1.00 0.00 C ATOM 1350 OG SER A 90 -19.505 12.498 18.101 1.00 0.00 O ATOM 0 H SER A 90 -20.807 11.210 14.782 1.00 0.00 H new ATOM 0 HA SER A 90 -18.416 12.055 15.892 1.00 0.00 H new ATOM 0 HB2 SER A 90 -20.955 12.181 16.670 1.00 0.00 H new ATOM 0 HB3 SER A 90 -20.514 10.769 17.610 1.00 0.00 H new ATOM 0 HG SER A 90 -20.168 12.744 18.779 1.00 0.00 H new ATOM 1356 N SER A 91 -17.070 10.153 16.667 1.00 0.00 N ATOM 1357 CA SER A 91 -16.224 9.045 17.075 1.00 0.00 C ATOM 1358 C SER A 91 -15.581 9.349 18.430 1.00 0.00 C ATOM 1359 O SER A 91 -15.642 10.479 18.911 1.00 0.00 O ATOM 1360 CB SER A 91 -15.145 8.760 16.028 1.00 0.00 C ATOM 1361 OG SER A 91 -14.504 7.506 16.250 1.00 0.00 O ATOM 0 H SER A 91 -16.584 11.044 16.561 1.00 0.00 H new ATOM 0 HA SER A 91 -16.847 8.155 17.166 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.593 8.767 15.034 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.401 9.556 16.048 1.00 0.00 H new ATOM 0 HG SER A 91 -13.823 7.360 15.560 1.00 0.00 H new ATOM 1367 N GLY A 92 -14.980 8.319 19.008 1.00 0.00 N ATOM 1368 CA GLY A 92 -14.327 8.462 20.298 1.00 0.00 C ATOM 1369 C GLY A 92 -14.035 7.094 20.919 1.00 0.00 C ATOM 1370 O GLY A 92 -13.262 6.993 21.871 1.00 0.00 O ATOM 0 H GLY A 92 -14.932 7.383 18.607 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.397 9.018 20.179 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.961 9.042 20.968 1.00 0.00 H new TER 1374 GLY A 92