USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 6 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -42:sc= 0.374 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.0918 K(o=0.092,f=-4.1!) USER MOD Single : A 30 ASN : amide:sc= -0.842 K(o=-0.84,f=-2.6!) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.11) USER MOD Single : A 42 TYR OH : rot -26:sc= -0.077 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -109:sc= 0.885 (180deg=0.0129) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 81 CYS SG : rot 2:sc= -0.401 USER MOD Single : A 86 MET CE :methyl 163:sc= -0.0602 (180deg=-0.392) USER MOD Single : A 87 THR OG1 : rot -79:sc= 0.98 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 169:sc= 0.0555 (180deg=0.0315) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -13.907 -27.008 29.043 1.00 0.00 N ATOM 59 CA GLY A 5 -14.310 -26.565 27.720 1.00 0.00 C ATOM 60 C GLY A 5 -15.765 -26.875 27.455 1.00 0.00 C ATOM 61 O GLY A 5 -16.523 -26.021 26.999 1.00 0.00 O ATOM 0 HA2 GLY A 5 -14.142 -25.492 27.627 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.690 -27.051 26.967 1.00 0.00 H new ATOM 65 N SER A 6 -16.155 -28.099 27.743 1.00 0.00 N ATOM 66 CA SER A 6 -17.526 -28.508 27.596 1.00 0.00 C ATOM 67 C SER A 6 -18.239 -28.375 28.930 1.00 0.00 C ATOM 68 O SER A 6 -17.665 -28.681 29.982 1.00 0.00 O ATOM 69 CB SER A 6 -17.596 -29.946 27.081 1.00 0.00 C ATOM 70 OG SER A 6 -16.717 -30.792 27.816 1.00 0.00 O ATOM 0 H SER A 6 -15.531 -28.831 28.083 1.00 0.00 H new ATOM 0 HA SER A 6 -18.021 -27.865 26.868 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.618 -30.317 27.163 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.332 -29.971 26.024 1.00 0.00 H new ATOM 0 HG SER A 6 -16.779 -31.707 27.471 1.00 0.00 H new ATOM 76 N LEU A 7 -19.463 -27.898 28.901 1.00 0.00 N ATOM 77 CA LEU A 7 -20.213 -27.696 30.121 1.00 0.00 C ATOM 78 C LEU A 7 -21.524 -28.430 30.128 1.00 0.00 C ATOM 79 O LEU A 7 -22.214 -28.518 29.105 1.00 0.00 O ATOM 80 CB LEU A 7 -20.462 -26.208 30.375 1.00 0.00 C ATOM 81 CG LEU A 7 -19.246 -25.407 30.819 1.00 0.00 C ATOM 82 CD1 LEU A 7 -19.567 -23.919 30.840 1.00 0.00 C ATOM 83 CD2 LEU A 7 -18.798 -25.877 32.193 1.00 0.00 C ATOM 0 H LEU A 7 -19.960 -27.643 28.048 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.598 -28.106 30.922 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.855 -25.762 29.461 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.237 -26.112 31.136 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.435 -25.568 30.109 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.687 -23.361 31.160 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.858 -23.596 29.841 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.386 -23.733 31.535 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.927 -25.302 32.508 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.607 -25.732 32.909 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.538 -26.935 32.149 1.00 0.00 H new ATOM 95 N LYS A 8 -21.851 -28.970 31.283 1.00 0.00 N ATOM 96 CA LYS A 8 -23.126 -29.583 31.510 1.00 0.00 C ATOM 97 C LYS A 8 -24.082 -28.474 31.898 1.00 0.00 C ATOM 98 O LYS A 8 -23.990 -27.912 32.992 1.00 0.00 O ATOM 99 CB LYS A 8 -23.011 -30.624 32.621 1.00 0.00 C ATOM 100 CG LYS A 8 -24.276 -31.413 32.874 1.00 0.00 C ATOM 101 CD LYS A 8 -24.042 -32.477 33.929 1.00 0.00 C ATOM 102 CE LYS A 8 -25.297 -33.299 34.176 1.00 0.00 C ATOM 103 NZ LYS A 8 -25.068 -34.393 35.154 1.00 0.00 N ATOM 0 H LYS A 8 -21.229 -28.992 32.091 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.486 -30.099 30.620 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -22.209 -31.318 32.370 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -22.720 -30.122 33.544 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -25.071 -30.741 33.198 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -24.611 -31.880 31.948 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -23.232 -33.134 33.612 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -23.725 -32.006 34.859 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -26.090 -32.647 34.542 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -25.643 -33.723 33.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -25.950 -34.926 35.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -24.330 -35.031 34.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -24.763 -33.988 36.062 1.00 0.00 H new ATOM 117 N VAL A 9 -24.978 -28.158 31.009 1.00 0.00 N ATOM 118 CA VAL A 9 -25.834 -27.012 31.176 1.00 0.00 C ATOM 119 C VAL A 9 -27.283 -27.423 31.370 1.00 0.00 C ATOM 120 O VAL A 9 -27.820 -28.246 30.625 1.00 0.00 O ATOM 121 CB VAL A 9 -25.669 -26.075 29.955 1.00 0.00 C ATOM 122 CG1 VAL A 9 -26.690 -24.965 29.925 1.00 0.00 C ATOM 123 CG2 VAL A 9 -24.274 -25.496 29.953 1.00 0.00 C ATOM 0 H VAL A 9 -25.138 -28.683 30.149 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.540 -26.476 32.079 1.00 0.00 H new ATOM 0 HB VAL A 9 -25.833 -26.675 29.059 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.524 -24.341 29.047 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.692 -25.393 29.882 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.594 -24.357 30.825 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.155 -24.836 29.094 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.114 -24.930 30.871 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.545 -26.304 29.893 1.00 0.00 H new ATOM 133 N TYR A 10 -27.903 -26.852 32.390 1.00 0.00 N ATOM 134 CA TYR A 10 -29.271 -27.173 32.732 1.00 0.00 C ATOM 135 C TYR A 10 -30.243 -26.279 31.956 1.00 0.00 C ATOM 136 O TYR A 10 -30.205 -25.052 32.059 1.00 0.00 O ATOM 137 CB TYR A 10 -29.464 -27.046 34.260 1.00 0.00 C ATOM 138 CG TYR A 10 -30.849 -27.400 34.771 1.00 0.00 C ATOM 139 CD1 TYR A 10 -31.235 -28.724 34.927 1.00 0.00 C ATOM 140 CD2 TYR A 10 -31.760 -26.411 35.119 1.00 0.00 C ATOM 141 CE1 TYR A 10 -32.489 -29.056 35.402 1.00 0.00 C ATOM 142 CE2 TYR A 10 -33.016 -26.735 35.598 1.00 0.00 C ATOM 143 CZ TYR A 10 -33.375 -28.059 35.737 1.00 0.00 C ATOM 144 OH TYR A 10 -34.628 -28.382 36.203 1.00 0.00 O ATOM 0 H TYR A 10 -27.471 -26.157 32.999 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.487 -28.203 32.447 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.737 -27.689 34.756 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -29.237 -26.021 34.554 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -30.541 -29.511 34.672 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -31.483 -25.372 35.014 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -32.772 -30.093 35.510 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -33.713 -25.954 35.862 1.00 0.00 H new ATOM 0 HH TYR A 10 -35.128 -27.561 36.394 1.00 0.00 H new ATOM 154 N GLY A 11 -31.105 -26.922 31.189 1.00 0.00 N ATOM 155 CA GLY A 11 -32.070 -26.233 30.354 1.00 0.00 C ATOM 156 C GLY A 11 -33.480 -26.442 30.843 1.00 0.00 C ATOM 157 O GLY A 11 -34.421 -26.519 30.043 1.00 0.00 O ATOM 0 H GLY A 11 -31.155 -27.939 31.128 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -31.844 -25.167 30.340 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -31.984 -26.590 29.328 1.00 0.00 H new ATOM 161 N GLY A 12 -33.615 -26.588 32.158 1.00 0.00 N ATOM 162 CA GLY A 12 -34.909 -26.819 32.775 1.00 0.00 C ATOM 163 C GLY A 12 -35.949 -25.778 32.401 1.00 0.00 C ATOM 164 O GLY A 12 -35.614 -24.711 31.877 1.00 0.00 O ATOM 0 H GLY A 12 -32.837 -26.549 32.816 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -35.271 -27.805 32.484 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -34.790 -26.830 33.858 1.00 0.00 H new ATOM 168 N GLU A 13 -37.213 -26.103 32.680 1.00 0.00 N ATOM 169 CA GLU A 13 -38.377 -25.278 32.318 1.00 0.00 C ATOM 170 C GLU A 13 -38.634 -25.328 30.811 1.00 0.00 C ATOM 171 O GLU A 13 -39.773 -25.518 30.371 1.00 0.00 O ATOM 172 CB GLU A 13 -38.237 -23.813 32.774 1.00 0.00 C ATOM 173 CG GLU A 13 -38.165 -23.610 34.280 1.00 0.00 C ATOM 174 CD GLU A 13 -38.268 -22.145 34.670 1.00 0.00 C ATOM 175 OE1 GLU A 13 -37.564 -21.308 34.069 1.00 0.00 O ATOM 176 OE2 GLU A 13 -39.091 -21.823 35.560 1.00 0.00 O ATOM 0 H GLU A 13 -37.465 -26.960 33.172 1.00 0.00 H new ATOM 0 HA GLU A 13 -39.229 -25.705 32.847 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -37.338 -23.393 32.323 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -39.083 -23.246 32.387 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -38.969 -24.168 34.759 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -37.227 -24.018 34.655 1.00 0.00 H new ATOM 183 N ILE A 14 -37.573 -25.153 30.032 1.00 0.00 N ATOM 184 CA ILE A 14 -37.659 -25.150 28.581 1.00 0.00 C ATOM 185 C ILE A 14 -38.136 -26.509 28.051 1.00 0.00 C ATOM 186 O ILE A 14 -39.078 -26.579 27.257 1.00 0.00 O ATOM 187 CB ILE A 14 -36.288 -24.817 27.946 1.00 0.00 C ATOM 188 CG1 ILE A 14 -35.724 -23.512 28.527 1.00 0.00 C ATOM 189 CG2 ILE A 14 -36.413 -24.707 26.434 1.00 0.00 C ATOM 190 CD1 ILE A 14 -36.607 -22.305 28.312 1.00 0.00 C ATOM 0 H ILE A 14 -36.629 -25.009 30.391 1.00 0.00 H new ATOM 0 HA ILE A 14 -38.383 -24.383 28.304 1.00 0.00 H new ATOM 0 HB ILE A 14 -35.599 -25.628 28.181 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -35.562 -23.644 29.597 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -34.749 -23.319 28.079 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -35.439 -24.472 26.005 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -36.770 -25.654 26.029 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -37.120 -23.916 26.184 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -36.136 -21.426 28.752 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -36.749 -22.144 27.243 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -37.575 -22.473 28.785 1.00 0.00 H new ATOM 202 N VAL A 15 -37.497 -27.585 28.512 1.00 0.00 N ATOM 203 CA VAL A 15 -37.849 -28.942 28.079 1.00 0.00 C ATOM 204 C VAL A 15 -37.736 -29.927 29.251 1.00 0.00 C ATOM 205 O VAL A 15 -36.640 -30.212 29.726 1.00 0.00 O ATOM 206 CB VAL A 15 -36.939 -29.443 26.912 1.00 0.00 C ATOM 207 CG1 VAL A 15 -37.328 -30.848 26.495 1.00 0.00 C ATOM 208 CG2 VAL A 15 -37.012 -28.508 25.715 1.00 0.00 C ATOM 0 H VAL A 15 -36.732 -27.545 29.186 1.00 0.00 H new ATOM 0 HA VAL A 15 -38.878 -28.899 27.721 1.00 0.00 H new ATOM 0 HB VAL A 15 -35.912 -29.453 27.277 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -36.682 -31.178 25.681 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -37.217 -31.523 27.343 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -38.365 -30.854 26.160 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -36.368 -28.884 24.920 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -38.040 -28.457 25.356 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -36.681 -27.512 26.010 1.00 0.00 H new ATOM 218 N PRO A 16 -38.875 -30.455 29.731 1.00 0.00 N ATOM 219 CA PRO A 16 -38.904 -31.395 30.864 1.00 0.00 C ATOM 220 C PRO A 16 -38.241 -32.746 30.555 1.00 0.00 C ATOM 221 O PRO A 16 -37.781 -33.438 31.465 1.00 0.00 O ATOM 222 CB PRO A 16 -40.400 -31.584 31.139 1.00 0.00 C ATOM 223 CG PRO A 16 -41.071 -31.239 29.856 1.00 0.00 C ATOM 224 CD PRO A 16 -40.229 -30.172 29.219 1.00 0.00 C ATOM 0 HA PRO A 16 -38.342 -31.005 31.712 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -40.621 -32.609 31.437 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -40.738 -30.937 31.948 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -41.148 -32.113 29.209 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -42.086 -30.882 30.031 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -40.267 -30.226 28.131 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -40.565 -29.174 29.500 1.00 0.00 H new ATOM 232 N THR A 17 -38.185 -33.118 29.278 1.00 0.00 N ATOM 233 CA THR A 17 -37.582 -34.390 28.900 1.00 0.00 C ATOM 234 C THR A 17 -36.090 -34.221 28.595 1.00 0.00 C ATOM 235 O THR A 17 -35.394 -35.189 28.283 1.00 0.00 O ATOM 236 CB THR A 17 -38.308 -35.051 27.687 1.00 0.00 C ATOM 237 OG1 THR A 17 -37.835 -36.395 27.498 1.00 0.00 O ATOM 238 CG2 THR A 17 -38.079 -34.258 26.406 1.00 0.00 C ATOM 0 H THR A 17 -38.544 -32.565 28.500 1.00 0.00 H new ATOM 0 HA THR A 17 -37.695 -35.057 29.755 1.00 0.00 H new ATOM 0 HB THR A 17 -39.375 -35.061 27.907 1.00 0.00 H new ATOM 0 HG1 THR A 17 -36.862 -36.419 27.616 1.00 0.00 H new ATOM 0 HG21 THR A 17 -38.597 -34.744 25.580 1.00 0.00 H new ATOM 0 HG22 THR A 17 -38.464 -33.246 26.531 1.00 0.00 H new ATOM 0 HG23 THR A 17 -37.011 -34.216 26.190 1.00 0.00 H new ATOM 246 N ARG A 18 -35.602 -32.991 28.699 1.00 0.00 N ATOM 247 CA ARG A 18 -34.198 -32.704 28.457 1.00 0.00 C ATOM 248 C ARG A 18 -33.717 -31.584 29.376 1.00 0.00 C ATOM 249 O ARG A 18 -33.555 -30.445 28.951 1.00 0.00 O ATOM 250 CB ARG A 18 -33.963 -32.335 26.987 1.00 0.00 C ATOM 251 CG ARG A 18 -32.498 -32.144 26.619 1.00 0.00 C ATOM 252 CD ARG A 18 -32.338 -31.833 25.144 1.00 0.00 C ATOM 253 NE ARG A 18 -32.857 -32.913 24.299 1.00 0.00 N ATOM 254 CZ ARG A 18 -33.310 -32.750 23.053 1.00 0.00 C ATOM 255 NH1 ARG A 18 -33.318 -31.543 22.493 1.00 0.00 N ATOM 256 NH2 ARG A 18 -33.759 -33.795 22.372 1.00 0.00 N ATOM 0 H ARG A 18 -36.161 -32.176 28.950 1.00 0.00 H new ATOM 0 HA ARG A 18 -33.622 -33.603 28.677 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -34.386 -33.116 26.356 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -34.505 -31.416 26.763 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -32.074 -31.334 27.212 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -31.938 -33.046 26.866 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -32.860 -30.905 24.910 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -31.284 -31.671 24.919 1.00 0.00 H new ATOM 0 HE ARG A 18 -32.873 -33.855 24.690 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -32.977 -30.736 23.016 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -33.665 -31.425 21.541 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -33.758 -34.721 22.800 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -34.105 -33.673 21.420 1.00 0.00 H new ATOM 270 N PRO A 19 -33.541 -31.892 30.673 1.00 0.00 N ATOM 271 CA PRO A 19 -33.083 -30.917 31.662 1.00 0.00 C ATOM 272 C PRO A 19 -31.617 -30.525 31.476 1.00 0.00 C ATOM 273 O PRO A 19 -31.192 -29.476 31.938 1.00 0.00 O ATOM 274 CB PRO A 19 -33.276 -31.640 32.996 1.00 0.00 C ATOM 275 CG PRO A 19 -33.213 -33.086 32.658 1.00 0.00 C ATOM 276 CD PRO A 19 -33.793 -33.215 31.279 1.00 0.00 C ATOM 0 HA PRO A 19 -33.634 -29.980 31.583 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -32.499 -31.367 33.710 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -34.232 -31.382 33.451 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -32.185 -33.448 32.684 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -33.779 -33.679 33.376 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -33.311 -34.013 30.714 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -34.858 -33.445 31.312 1.00 0.00 H new ATOM 284 N TYR A 20 -30.849 -31.370 30.809 1.00 0.00 N ATOM 285 CA TYR A 20 -29.429 -31.103 30.614 1.00 0.00 C ATOM 286 C TYR A 20 -28.995 -31.250 29.169 1.00 0.00 C ATOM 287 O TYR A 20 -29.454 -32.140 28.447 1.00 0.00 O ATOM 288 CB TYR A 20 -28.565 -31.998 31.503 1.00 0.00 C ATOM 289 CG TYR A 20 -28.612 -31.651 32.971 1.00 0.00 C ATOM 290 CD1 TYR A 20 -27.838 -30.614 33.474 1.00 0.00 C ATOM 291 CD2 TYR A 20 -29.413 -32.360 33.854 1.00 0.00 C ATOM 292 CE1 TYR A 20 -27.860 -30.293 34.813 1.00 0.00 C ATOM 293 CE2 TYR A 20 -29.441 -32.044 35.198 1.00 0.00 C ATOM 294 CZ TYR A 20 -28.662 -31.009 35.671 1.00 0.00 C ATOM 295 OH TYR A 20 -28.681 -30.696 37.009 1.00 0.00 O ATOM 0 H TYR A 20 -31.179 -32.242 30.395 1.00 0.00 H new ATOM 0 HA TYR A 20 -29.282 -30.062 30.900 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -28.885 -33.032 31.376 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -27.532 -31.940 31.161 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.208 -30.049 32.803 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -30.024 -33.171 33.485 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -27.251 -29.484 35.187 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -30.069 -32.604 35.875 1.00 0.00 H new ATOM 0 HH TYR A 20 -29.300 -31.295 37.476 1.00 0.00 H new ATOM 305 N VAL A 21 -28.106 -30.367 28.768 1.00 0.00 N ATOM 306 CA VAL A 21 -27.512 -30.386 27.455 1.00 0.00 C ATOM 307 C VAL A 21 -26.030 -30.069 27.590 1.00 0.00 C ATOM 308 O VAL A 21 -25.594 -29.523 28.610 1.00 0.00 O ATOM 309 CB VAL A 21 -28.197 -29.377 26.497 1.00 0.00 C ATOM 310 CG1 VAL A 21 -27.876 -27.937 26.875 1.00 0.00 C ATOM 311 CG2 VAL A 21 -27.842 -29.653 25.040 1.00 0.00 C ATOM 0 H VAL A 21 -27.772 -29.604 29.357 1.00 0.00 H new ATOM 0 HA VAL A 21 -27.648 -31.377 27.021 1.00 0.00 H new ATOM 0 HB VAL A 21 -29.273 -29.515 26.606 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -28.373 -27.259 26.181 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -28.226 -27.740 27.888 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -26.799 -27.780 26.826 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -28.341 -28.925 24.400 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -26.763 -29.574 24.907 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -28.168 -30.657 24.770 1.00 0.00 H new ATOM 321 N SER A 22 -25.269 -30.409 26.592 1.00 0.00 N ATOM 322 CA SER A 22 -23.836 -30.186 26.630 1.00 0.00 C ATOM 323 C SER A 22 -23.453 -29.071 25.678 1.00 0.00 C ATOM 324 O SER A 22 -23.906 -29.041 24.528 1.00 0.00 O ATOM 325 CB SER A 22 -23.085 -31.477 26.287 1.00 0.00 C ATOM 326 OG SER A 22 -23.531 -32.023 25.051 1.00 0.00 O ATOM 0 H SER A 22 -25.609 -30.844 25.734 1.00 0.00 H new ATOM 0 HA SER A 22 -23.554 -29.887 27.640 1.00 0.00 H new ATOM 0 HB2 SER A 22 -22.015 -31.274 26.232 1.00 0.00 H new ATOM 0 HB3 SER A 22 -23.231 -32.207 27.083 1.00 0.00 H new ATOM 0 HG SER A 22 -23.033 -32.845 24.858 1.00 0.00 H new ATOM 332 N ILE A 23 -22.633 -28.145 26.142 1.00 0.00 N ATOM 333 CA ILE A 23 -22.224 -27.030 25.309 1.00 0.00 C ATOM 334 C ILE A 23 -20.717 -26.886 25.310 1.00 0.00 C ATOM 335 O ILE A 23 -20.037 -27.432 26.179 1.00 0.00 O ATOM 336 CB ILE A 23 -22.834 -25.685 25.782 1.00 0.00 C ATOM 337 CG1 ILE A 23 -22.253 -25.271 27.141 1.00 0.00 C ATOM 338 CG2 ILE A 23 -24.344 -25.792 25.860 1.00 0.00 C ATOM 339 CD1 ILE A 23 -22.578 -23.842 27.521 1.00 0.00 C ATOM 0 H ILE A 23 -22.240 -28.143 27.083 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.589 -27.251 24.306 1.00 0.00 H new ATOM 0 HB ILE A 23 -22.576 -24.916 25.054 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.636 -25.940 27.911 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.170 -25.397 27.119 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -24.759 -24.841 26.193 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -24.743 -26.037 24.876 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -24.617 -26.575 26.567 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -22.138 -23.615 28.492 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -22.171 -23.164 26.770 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -23.659 -23.717 27.575 1.00 0.00 H new ATOM 351 N LEU A 24 -20.207 -26.164 24.341 1.00 0.00 N ATOM 352 CA LEU A 24 -18.796 -25.861 24.279 1.00 0.00 C ATOM 353 C LEU A 24 -18.610 -24.372 24.505 1.00 0.00 C ATOM 354 O LEU A 24 -19.199 -23.555 23.796 1.00 0.00 O ATOM 355 CB LEU A 24 -18.212 -26.264 22.924 1.00 0.00 C ATOM 356 CG LEU A 24 -16.720 -25.972 22.732 1.00 0.00 C ATOM 357 CD1 LEU A 24 -15.877 -26.793 23.695 1.00 0.00 C ATOM 358 CD2 LEU A 24 -16.308 -26.241 21.298 1.00 0.00 C ATOM 0 H LEU A 24 -20.755 -25.771 23.576 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.271 -26.425 25.050 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -18.376 -27.332 22.781 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.768 -25.749 22.141 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.549 -24.918 22.949 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.822 -26.567 23.538 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.152 -26.547 24.720 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -16.051 -27.854 23.517 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.246 -26.029 21.179 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.499 -27.286 21.055 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.883 -25.602 20.628 1.00 0.00 H new ATOM 370 N ALA A 25 -17.816 -24.020 25.489 1.00 0.00 N ATOM 371 CA ALA A 25 -17.606 -22.630 25.815 1.00 0.00 C ATOM 372 C ALA A 25 -16.159 -22.363 26.159 1.00 0.00 C ATOM 373 O ALA A 25 -15.433 -23.260 26.584 1.00 0.00 O ATOM 374 CB ALA A 25 -18.509 -22.218 26.970 1.00 0.00 C ATOM 0 H ALA A 25 -17.305 -24.678 26.078 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.859 -22.035 24.938 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.341 -21.167 27.206 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -19.551 -22.364 26.687 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.282 -22.827 27.845 1.00 0.00 H new ATOM 380 N GLU A 26 -15.743 -21.137 25.955 1.00 0.00 N ATOM 381 CA GLU A 26 -14.401 -20.723 26.272 1.00 0.00 C ATOM 382 C GLU A 26 -14.457 -19.770 27.452 1.00 0.00 C ATOM 383 O GLU A 26 -15.417 -19.014 27.589 1.00 0.00 O ATOM 384 CB GLU A 26 -13.763 -20.050 25.063 1.00 0.00 C ATOM 385 CG GLU A 26 -13.617 -20.960 23.857 1.00 0.00 C ATOM 386 CD GLU A 26 -12.999 -20.256 22.672 1.00 0.00 C ATOM 387 OE1 GLU A 26 -13.742 -19.632 21.890 1.00 0.00 O ATOM 388 OE2 GLU A 26 -11.760 -20.325 22.518 1.00 0.00 O ATOM 0 H GLU A 26 -16.327 -20.398 25.564 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.792 -21.588 26.533 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.364 -19.185 24.782 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.779 -19.676 25.345 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.002 -21.819 24.126 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.597 -21.345 23.576 1.00 0.00 H new ATOM 395 N ILE A 27 -13.449 -19.806 28.304 1.00 0.00 N ATOM 396 CA ILE A 27 -13.453 -18.982 29.507 1.00 0.00 C ATOM 397 C ILE A 27 -13.347 -17.487 29.198 1.00 0.00 C ATOM 398 O ILE A 27 -13.840 -16.654 29.955 1.00 0.00 O ATOM 399 CB ILE A 27 -12.364 -19.408 30.525 1.00 0.00 C ATOM 400 CG1 ILE A 27 -12.508 -18.585 31.803 1.00 0.00 C ATOM 401 CG2 ILE A 27 -10.968 -19.254 29.933 1.00 0.00 C ATOM 402 CD1 ILE A 27 -11.766 -19.135 32.976 1.00 0.00 C ATOM 0 H ILE A 27 -12.621 -20.391 28.190 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.424 -19.154 29.971 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.501 -20.462 30.765 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.158 -17.571 31.609 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.565 -18.514 32.058 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.225 -19.560 30.669 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.878 -19.880 29.045 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.801 -18.212 29.661 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.923 -18.490 33.841 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.131 -20.137 33.200 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.702 -19.180 32.745 1.00 0.00 H new ATOM 414 N ASN A 28 -12.744 -17.158 28.077 1.00 0.00 N ATOM 415 CA ASN A 28 -12.574 -15.761 27.690 1.00 0.00 C ATOM 416 C ASN A 28 -13.787 -15.258 26.912 1.00 0.00 C ATOM 417 O ASN A 28 -13.742 -14.203 26.280 1.00 0.00 O ATOM 418 CB ASN A 28 -11.284 -15.571 26.866 1.00 0.00 C ATOM 419 CG ASN A 28 -11.299 -16.300 25.525 1.00 0.00 C ATOM 420 OD1 ASN A 28 -11.976 -17.315 25.354 1.00 0.00 O ATOM 421 ND2 ASN A 28 -10.532 -15.799 24.579 1.00 0.00 N ATOM 0 H ASN A 28 -12.361 -17.832 27.414 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.486 -15.170 28.602 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.130 -14.507 26.689 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.434 -15.923 27.451 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.484 -16.253 23.667 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.986 -14.956 24.758 1.00 0.00 H new ATOM 428 N GLU A 29 -14.876 -16.007 26.989 1.00 0.00 N ATOM 429 CA GLU A 29 -16.101 -15.653 26.304 1.00 0.00 C ATOM 430 C GLU A 29 -17.140 -15.149 27.284 1.00 0.00 C ATOM 431 O GLU A 29 -17.082 -15.452 28.478 1.00 0.00 O ATOM 432 CB GLU A 29 -16.634 -16.849 25.528 1.00 0.00 C ATOM 433 CG GLU A 29 -15.750 -17.240 24.372 1.00 0.00 C ATOM 434 CD GLU A 29 -15.668 -16.164 23.323 1.00 0.00 C ATOM 435 OE1 GLU A 29 -16.719 -15.787 22.778 1.00 0.00 O ATOM 436 OE2 GLU A 29 -14.561 -15.689 23.038 1.00 0.00 O ATOM 0 H GLU A 29 -14.932 -16.872 27.526 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.882 -14.849 25.601 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.736 -17.698 26.204 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.631 -16.618 25.154 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.749 -17.460 24.742 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.131 -18.156 23.920 1.00 0.00 H new ATOM 443 N ASN A 30 -18.091 -14.382 26.783 1.00 0.00 N ATOM 444 CA ASN A 30 -19.123 -13.822 27.630 1.00 0.00 C ATOM 445 C ASN A 30 -20.306 -14.764 27.749 1.00 0.00 C ATOM 446 O ASN A 30 -20.413 -15.760 27.015 1.00 0.00 O ATOM 447 CB ASN A 30 -19.582 -12.435 27.130 1.00 0.00 C ATOM 448 CG ASN A 30 -20.343 -12.465 25.811 1.00 0.00 C ATOM 449 OD1 ASN A 30 -20.164 -13.360 24.982 1.00 0.00 O ATOM 450 ND2 ASN A 30 -21.187 -11.474 25.605 1.00 0.00 N ATOM 0 H ASN A 30 -18.169 -14.134 25.797 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.688 -13.691 28.621 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.215 -11.979 27.891 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.707 -11.795 27.017 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.719 -11.430 24.736 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -21.308 -10.752 26.315 1.00 0.00 H new ATOM 457 N ALA A 31 -21.191 -14.441 28.669 1.00 0.00 N ATOM 458 CA ALA A 31 -22.358 -15.246 28.955 1.00 0.00 C ATOM 459 C ALA A 31 -23.288 -15.357 27.750 1.00 0.00 C ATOM 460 O ALA A 31 -24.014 -16.320 27.630 1.00 0.00 O ATOM 461 CB ALA A 31 -23.097 -14.680 30.156 1.00 0.00 C ATOM 0 H ALA A 31 -21.118 -13.602 29.245 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.018 -16.255 29.187 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -23.975 -15.292 30.365 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -22.437 -14.683 31.024 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.410 -13.658 29.942 1.00 0.00 H new ATOM 467 N ASP A 32 -23.254 -14.371 26.861 1.00 0.00 N ATOM 468 CA ASP A 32 -24.106 -14.388 25.662 1.00 0.00 C ATOM 469 C ASP A 32 -23.834 -15.603 24.788 1.00 0.00 C ATOM 470 O ASP A 32 -24.769 -16.261 24.322 1.00 0.00 O ATOM 471 CB ASP A 32 -23.930 -13.114 24.839 1.00 0.00 C ATOM 472 CG ASP A 32 -24.705 -13.156 23.533 1.00 0.00 C ATOM 473 OD1 ASP A 32 -25.946 -13.144 23.574 1.00 0.00 O ATOM 474 OD2 ASP A 32 -24.071 -13.212 22.461 1.00 0.00 O ATOM 0 H ASP A 32 -22.652 -13.551 26.940 1.00 0.00 H new ATOM 0 HA ASP A 32 -25.136 -14.444 26.014 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -24.260 -12.257 25.426 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -22.871 -12.966 24.625 1.00 0.00 H new ATOM 479 N ARG A 33 -22.560 -15.906 24.566 1.00 0.00 N ATOM 480 CA ARG A 33 -22.199 -17.030 23.756 1.00 0.00 C ATOM 481 C ARG A 33 -22.591 -18.329 24.443 1.00 0.00 C ATOM 482 O ARG A 33 -23.128 -19.237 23.815 1.00 0.00 O ATOM 483 CB ARG A 33 -20.731 -17.018 23.453 1.00 0.00 C ATOM 484 CG ARG A 33 -20.363 -18.122 22.525 1.00 0.00 C ATOM 485 CD ARG A 33 -18.927 -18.059 22.160 1.00 0.00 C ATOM 486 NE ARG A 33 -18.531 -19.165 21.280 1.00 0.00 N ATOM 487 CZ ARG A 33 -17.268 -19.530 21.043 1.00 0.00 C ATOM 488 NH1 ARG A 33 -16.267 -18.850 21.580 1.00 0.00 N ATOM 489 NH2 ARG A 33 -17.011 -20.560 20.249 1.00 0.00 N ATOM 0 H ARG A 33 -21.771 -15.380 24.942 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.742 -16.959 22.813 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -20.456 -16.061 23.010 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.165 -17.115 24.380 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -20.580 -19.082 22.993 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -20.973 -18.062 21.624 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.721 -17.110 21.664 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -18.322 -18.083 23.066 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.272 -19.692 20.817 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.459 -18.045 22.176 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.304 -19.131 21.397 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.778 -21.075 19.818 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.046 -20.837 20.069 1.00 0.00 H new ATOM 503 N ILE A 34 -22.335 -18.394 25.745 1.00 0.00 N ATOM 504 CA ILE A 34 -22.658 -19.572 26.542 1.00 0.00 C ATOM 505 C ILE A 34 -24.173 -19.798 26.563 1.00 0.00 C ATOM 506 O ILE A 34 -24.655 -20.919 26.369 1.00 0.00 O ATOM 507 CB ILE A 34 -22.151 -19.384 27.997 1.00 0.00 C ATOM 508 CG1 ILE A 34 -20.622 -19.326 28.020 1.00 0.00 C ATOM 509 CG2 ILE A 34 -22.658 -20.507 28.900 1.00 0.00 C ATOM 510 CD1 ILE A 34 -20.046 -18.932 29.363 1.00 0.00 C ATOM 0 H ILE A 34 -21.901 -17.638 26.275 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.170 -20.437 26.094 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.543 -18.441 28.379 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.226 -20.302 27.738 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.283 -18.614 27.267 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.289 -20.353 29.914 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -23.748 -20.505 28.906 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -22.299 -21.465 28.525 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -18.958 -18.913 29.301 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.411 -17.943 29.640 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.353 -19.656 30.117 1.00 0.00 H new ATOM 522 N LEU A 35 -24.904 -18.716 26.777 1.00 0.00 N ATOM 523 CA LEU A 35 -26.356 -18.741 26.817 1.00 0.00 C ATOM 524 C LEU A 35 -26.916 -19.152 25.474 1.00 0.00 C ATOM 525 O LEU A 35 -27.798 -20.000 25.396 1.00 0.00 O ATOM 526 CB LEU A 35 -26.875 -17.344 27.221 1.00 0.00 C ATOM 527 CG LEU A 35 -28.392 -17.128 27.208 1.00 0.00 C ATOM 528 CD1 LEU A 35 -29.096 -18.133 28.101 1.00 0.00 C ATOM 529 CD2 LEU A 35 -28.718 -15.715 27.659 1.00 0.00 C ATOM 0 H LEU A 35 -24.503 -17.790 26.929 1.00 0.00 H new ATOM 0 HA LEU A 35 -26.686 -19.473 27.554 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -26.512 -17.127 28.225 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -26.424 -16.610 26.553 1.00 0.00 H new ATOM 0 HG LEU A 35 -28.747 -17.273 26.188 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.171 -17.955 28.072 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -28.885 -19.143 27.749 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -28.738 -18.024 29.125 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -29.798 -15.569 27.647 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -28.342 -15.560 28.670 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -28.248 -15.000 26.984 1.00 0.00 H new ATOM 541 N GLY A 36 -26.372 -18.572 24.423 1.00 0.00 N ATOM 542 CA GLY A 36 -26.835 -18.858 23.091 1.00 0.00 C ATOM 543 C GLY A 36 -26.564 -20.286 22.655 1.00 0.00 C ATOM 544 O GLY A 36 -27.366 -20.871 21.941 1.00 0.00 O ATOM 0 H GLY A 36 -25.607 -17.899 24.472 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -27.907 -18.666 23.037 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -26.353 -18.174 22.392 1.00 0.00 H new ATOM 548 N ALA A 37 -25.441 -20.848 23.092 1.00 0.00 N ATOM 549 CA ALA A 37 -25.061 -22.210 22.708 1.00 0.00 C ATOM 550 C ALA A 37 -26.112 -23.242 23.136 1.00 0.00 C ATOM 551 O ALA A 37 -26.580 -24.036 22.319 1.00 0.00 O ATOM 552 CB ALA A 37 -23.704 -22.564 23.301 1.00 0.00 C ATOM 0 H ALA A 37 -24.777 -20.385 23.712 1.00 0.00 H new ATOM 0 HA ALA A 37 -24.999 -22.238 21.620 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -23.433 -23.578 23.009 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -22.952 -21.866 22.932 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -23.754 -22.501 24.388 1.00 0.00 H new ATOM 558 N ALA A 38 -26.482 -23.224 24.410 1.00 0.00 N ATOM 559 CA ALA A 38 -27.488 -24.153 24.926 1.00 0.00 C ATOM 560 C ALA A 38 -28.870 -23.788 24.413 1.00 0.00 C ATOM 561 O ALA A 38 -29.678 -24.656 24.085 1.00 0.00 O ATOM 562 CB ALA A 38 -27.474 -24.166 26.441 1.00 0.00 C ATOM 0 H ALA A 38 -26.104 -22.580 25.105 1.00 0.00 H new ATOM 0 HA ALA A 38 -27.242 -25.153 24.569 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -28.229 -24.863 26.806 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -26.491 -24.479 26.793 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -27.692 -23.166 26.815 1.00 0.00 H new ATOM 568 N LEU A 39 -29.115 -22.496 24.322 1.00 0.00 N ATOM 569 CA LEU A 39 -30.393 -21.956 23.880 1.00 0.00 C ATOM 570 C LEU A 39 -30.683 -22.397 22.444 1.00 0.00 C ATOM 571 O LEU A 39 -31.826 -22.710 22.091 1.00 0.00 O ATOM 572 CB LEU A 39 -30.336 -20.439 23.976 1.00 0.00 C ATOM 573 CG LEU A 39 -31.623 -19.689 23.732 1.00 0.00 C ATOM 574 CD1 LEU A 39 -32.659 -20.058 24.777 1.00 0.00 C ATOM 575 CD2 LEU A 39 -31.361 -18.210 23.767 1.00 0.00 C ATOM 0 H LEU A 39 -28.427 -21.780 24.555 1.00 0.00 H new ATOM 0 HA LEU A 39 -31.197 -22.331 24.514 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -29.973 -20.176 24.970 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -29.595 -20.082 23.261 1.00 0.00 H new ATOM 0 HG LEU A 39 -32.010 -19.963 22.750 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -33.580 -19.508 24.586 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -32.859 -21.128 24.729 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -32.283 -19.803 25.768 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -32.292 -17.671 23.591 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -30.962 -17.934 24.743 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -30.639 -17.950 22.993 1.00 0.00 H new ATOM 587 N GLU A 40 -29.636 -22.420 21.631 1.00 0.00 N ATOM 588 CA GLU A 40 -29.720 -22.850 20.245 1.00 0.00 C ATOM 589 C GLU A 40 -30.174 -24.299 20.165 1.00 0.00 C ATOM 590 O GLU A 40 -30.959 -24.665 19.285 1.00 0.00 O ATOM 591 CB GLU A 40 -28.345 -22.659 19.563 1.00 0.00 C ATOM 592 CG GLU A 40 -28.281 -23.053 18.088 1.00 0.00 C ATOM 593 CD GLU A 40 -27.883 -24.502 17.872 1.00 0.00 C ATOM 594 OE1 GLU A 40 -26.722 -24.858 18.185 1.00 0.00 O ATOM 595 OE2 GLU A 40 -28.716 -25.287 17.372 1.00 0.00 O ATOM 0 H GLU A 40 -28.699 -22.139 21.918 1.00 0.00 H new ATOM 0 HA GLU A 40 -30.458 -22.242 19.721 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -28.056 -21.612 19.654 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -27.604 -23.243 20.109 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -29.254 -22.878 17.630 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -27.567 -22.407 17.577 1.00 0.00 H new ATOM 602 N LYS A 41 -29.709 -25.115 21.103 1.00 0.00 N ATOM 603 CA LYS A 41 -30.055 -26.525 21.129 1.00 0.00 C ATOM 604 C LYS A 41 -31.551 -26.713 21.329 1.00 0.00 C ATOM 605 O LYS A 41 -32.157 -27.594 20.727 1.00 0.00 O ATOM 606 CB LYS A 41 -29.270 -27.273 22.213 1.00 0.00 C ATOM 607 CG LYS A 41 -27.769 -27.057 22.119 1.00 0.00 C ATOM 608 CD LYS A 41 -27.275 -27.266 20.701 1.00 0.00 C ATOM 609 CE LYS A 41 -25.789 -27.012 20.587 1.00 0.00 C ATOM 610 NZ LYS A 41 -25.331 -27.077 19.182 1.00 0.00 N ATOM 0 H LYS A 41 -29.089 -24.820 21.857 1.00 0.00 H new ATOM 0 HA LYS A 41 -29.780 -26.948 20.163 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -29.617 -26.948 23.194 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -29.483 -28.339 22.137 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -27.522 -26.048 22.448 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -27.257 -27.745 22.791 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -27.496 -28.285 20.385 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -27.812 -26.599 20.026 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -25.554 -26.032 21.002 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -25.247 -27.748 21.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -24.293 -27.017 19.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.638 -27.976 18.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -25.740 -26.284 18.647 1.00 0.00 H new ATOM 624 N TYR A 42 -32.146 -25.875 22.165 1.00 0.00 N ATOM 625 CA TYR A 42 -33.575 -25.962 22.425 1.00 0.00 C ATOM 626 C TYR A 42 -34.374 -25.156 21.387 1.00 0.00 C ATOM 627 O TYR A 42 -35.600 -25.111 21.433 1.00 0.00 O ATOM 628 CB TYR A 42 -33.902 -25.498 23.849 1.00 0.00 C ATOM 629 CG TYR A 42 -33.172 -26.282 24.928 1.00 0.00 C ATOM 630 CD1 TYR A 42 -33.592 -27.554 25.297 1.00 0.00 C ATOM 631 CD2 TYR A 42 -32.053 -25.757 25.560 1.00 0.00 C ATOM 632 CE1 TYR A 42 -32.924 -28.277 26.266 1.00 0.00 C ATOM 633 CE2 TYR A 42 -31.376 -26.475 26.529 1.00 0.00 C ATOM 634 CZ TYR A 42 -31.818 -27.733 26.878 1.00 0.00 C ATOM 635 OH TYR A 42 -31.147 -28.454 27.840 1.00 0.00 O ATOM 0 H TYR A 42 -31.665 -25.132 22.672 1.00 0.00 H new ATOM 0 HA TYR A 42 -33.869 -27.008 22.336 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -33.649 -24.442 23.945 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -34.976 -25.585 24.013 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -34.458 -27.986 24.817 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -31.705 -24.771 25.290 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -33.268 -29.263 26.542 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -30.506 -26.052 27.009 1.00 0.00 H new ATOM 0 HH TYR A 42 -31.761 -29.094 28.257 1.00 0.00 H new ATOM 645 N GLY A 43 -33.653 -24.516 20.465 1.00 0.00 N ATOM 646 CA GLY A 43 -34.284 -23.792 19.368 1.00 0.00 C ATOM 647 C GLY A 43 -34.839 -22.432 19.754 1.00 0.00 C ATOM 648 O GLY A 43 -35.617 -21.846 19.009 1.00 0.00 O ATOM 0 H GLY A 43 -32.633 -24.486 20.459 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -33.555 -23.660 18.568 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -35.093 -24.401 18.965 1.00 0.00 H new ATOM 652 N LEU A 44 -34.436 -21.915 20.898 1.00 0.00 N ATOM 653 CA LEU A 44 -34.946 -20.635 21.360 1.00 0.00 C ATOM 654 C LEU A 44 -33.903 -19.533 21.205 1.00 0.00 C ATOM 655 O LEU A 44 -34.050 -18.443 21.764 1.00 0.00 O ATOM 656 CB LEU A 44 -35.410 -20.733 22.812 1.00 0.00 C ATOM 657 CG LEU A 44 -36.512 -21.759 23.085 1.00 0.00 C ATOM 658 CD1 LEU A 44 -36.888 -21.761 24.550 1.00 0.00 C ATOM 659 CD2 LEU A 44 -37.728 -21.482 22.224 1.00 0.00 C ATOM 0 H LEU A 44 -33.761 -22.357 21.523 1.00 0.00 H new ATOM 0 HA LEU A 44 -35.802 -20.374 20.738 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.549 -20.977 23.434 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -35.765 -19.752 23.129 1.00 0.00 H new ATOM 0 HG LEU A 44 -36.129 -22.746 22.828 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -37.673 -22.497 24.723 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -36.014 -22.015 25.150 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -37.249 -20.772 24.834 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -38.499 -22.223 22.434 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -38.112 -20.486 22.446 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -37.449 -21.537 21.172 1.00 0.00 H new ATOM 671 N GLU A 45 -32.857 -19.817 20.428 1.00 0.00 N ATOM 672 CA GLU A 45 -31.760 -18.873 20.210 1.00 0.00 C ATOM 673 C GLU A 45 -32.227 -17.581 19.531 1.00 0.00 C ATOM 674 O GLU A 45 -31.547 -16.554 19.595 1.00 0.00 O ATOM 675 CB GLU A 45 -30.614 -19.542 19.434 1.00 0.00 C ATOM 676 CG GLU A 45 -31.038 -20.350 18.204 1.00 0.00 C ATOM 677 CD GLU A 45 -31.424 -19.488 17.027 1.00 0.00 C ATOM 678 OE1 GLU A 45 -30.517 -18.875 16.419 1.00 0.00 O ATOM 679 OE2 GLU A 45 -32.629 -19.432 16.693 1.00 0.00 O ATOM 0 H GLU A 45 -32.746 -20.703 19.934 1.00 0.00 H new ATOM 0 HA GLU A 45 -31.381 -18.582 21.190 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -29.913 -18.770 19.117 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -30.075 -20.202 20.113 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -30.220 -21.008 17.911 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -31.881 -20.988 18.470 1.00 0.00 H new ATOM 686 N HIS A 46 -33.378 -17.648 18.885 1.00 0.00 N ATOM 687 CA HIS A 46 -33.987 -16.488 18.249 1.00 0.00 C ATOM 688 C HIS A 46 -34.402 -15.462 19.304 1.00 0.00 C ATOM 689 O HIS A 46 -34.340 -14.252 19.076 1.00 0.00 O ATOM 690 CB HIS A 46 -35.204 -16.922 17.421 1.00 0.00 C ATOM 691 CG HIS A 46 -35.868 -15.804 16.668 1.00 0.00 C ATOM 692 ND1 HIS A 46 -37.071 -15.251 17.050 1.00 0.00 N ATOM 693 CD2 HIS A 46 -35.500 -15.150 15.543 1.00 0.00 C ATOM 694 CE1 HIS A 46 -37.413 -14.305 16.194 1.00 0.00 C ATOM 695 NE2 HIS A 46 -36.476 -14.224 15.273 1.00 0.00 N ATOM 0 H HIS A 46 -33.919 -18.507 18.785 1.00 0.00 H new ATOM 0 HA HIS A 46 -33.256 -16.026 17.585 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -34.892 -17.688 16.711 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -35.936 -17.382 18.085 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -34.605 -15.324 14.965 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -38.308 -13.702 16.242 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -36.476 -13.577 14.485 1.00 0.00 H new ATOM 703 N SER A 47 -34.835 -15.957 20.447 1.00 0.00 N ATOM 704 CA SER A 47 -35.289 -15.112 21.528 1.00 0.00 C ATOM 705 C SER A 47 -34.114 -14.603 22.381 1.00 0.00 C ATOM 706 O SER A 47 -33.635 -13.487 22.180 1.00 0.00 O ATOM 707 CB SER A 47 -36.283 -15.889 22.390 1.00 0.00 C ATOM 708 OG SER A 47 -37.384 -16.322 21.616 1.00 0.00 O ATOM 0 H SER A 47 -34.881 -16.956 20.650 1.00 0.00 H new ATOM 0 HA SER A 47 -35.780 -14.237 21.103 1.00 0.00 H new ATOM 0 HB2 SER A 47 -35.787 -16.749 22.839 1.00 0.00 H new ATOM 0 HB3 SER A 47 -36.632 -15.259 23.208 1.00 0.00 H new ATOM 0 HG SER A 47 -38.008 -16.819 22.185 1.00 0.00 H new ATOM 714 N LYS A 48 -33.657 -15.451 23.311 1.00 0.00 N ATOM 715 CA LYS A 48 -32.551 -15.151 24.255 1.00 0.00 C ATOM 716 C LYS A 48 -32.874 -14.028 25.253 1.00 0.00 C ATOM 717 O LYS A 48 -32.553 -14.137 26.426 1.00 0.00 O ATOM 718 CB LYS A 48 -31.239 -14.830 23.536 1.00 0.00 C ATOM 719 CG LYS A 48 -30.037 -14.934 24.463 1.00 0.00 C ATOM 720 CD LYS A 48 -28.733 -14.630 23.769 1.00 0.00 C ATOM 721 CE LYS A 48 -28.375 -15.664 22.726 1.00 0.00 C ATOM 722 NZ LYS A 48 -27.125 -15.294 22.021 1.00 0.00 N ATOM 0 H LYS A 48 -34.047 -16.385 23.438 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.429 -16.072 24.824 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -31.109 -15.514 22.697 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -31.290 -13.823 23.122 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.168 -14.245 25.298 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -29.994 -15.939 24.883 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -28.797 -13.650 23.297 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -27.935 -14.575 24.510 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.255 -16.638 23.200 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -29.189 -15.758 22.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.348 -15.006 21.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -26.666 -14.505 22.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.482 -16.112 22.001 1.00 0.00 H new ATOM 736 N ASP A 49 -33.529 -12.974 24.793 1.00 0.00 N ATOM 737 CA ASP A 49 -33.838 -11.814 25.634 1.00 0.00 C ATOM 738 C ASP A 49 -34.801 -12.144 26.758 1.00 0.00 C ATOM 739 O ASP A 49 -35.003 -11.345 27.658 1.00 0.00 O ATOM 740 CB ASP A 49 -34.388 -10.664 24.795 1.00 0.00 C ATOM 741 CG ASP A 49 -33.319 -9.978 23.981 1.00 0.00 C ATOM 742 OD1 ASP A 49 -32.587 -9.139 24.546 1.00 0.00 O ATOM 743 OD2 ASP A 49 -33.199 -10.269 22.769 1.00 0.00 O ATOM 0 H ASP A 49 -33.863 -12.892 23.833 1.00 0.00 H new ATOM 0 HA ASP A 49 -32.898 -11.508 26.092 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -35.161 -11.044 24.127 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -34.864 -9.935 25.451 1.00 0.00 H new ATOM 748 N ASP A 50 -35.393 -13.311 26.698 1.00 0.00 N ATOM 749 CA ASP A 50 -36.319 -13.753 27.728 1.00 0.00 C ATOM 750 C ASP A 50 -35.618 -14.715 28.698 1.00 0.00 C ATOM 751 O ASP A 50 -36.218 -15.212 29.645 1.00 0.00 O ATOM 752 CB ASP A 50 -37.529 -14.437 27.068 1.00 0.00 C ATOM 753 CG ASP A 50 -38.628 -14.799 28.050 1.00 0.00 C ATOM 754 OD1 ASP A 50 -39.300 -13.877 28.568 1.00 0.00 O ATOM 755 OD2 ASP A 50 -38.849 -16.002 28.285 1.00 0.00 O ATOM 0 H ASP A 50 -35.253 -13.982 25.943 1.00 0.00 H new ATOM 0 HA ASP A 50 -36.665 -12.890 28.297 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -37.938 -13.776 26.304 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -37.193 -15.341 26.561 1.00 0.00 H new ATOM 760 N PHE A 51 -34.327 -14.949 28.474 1.00 0.00 N ATOM 761 CA PHE A 51 -33.590 -15.922 29.269 1.00 0.00 C ATOM 762 C PHE A 51 -32.260 -15.344 29.763 1.00 0.00 C ATOM 763 O PHE A 51 -31.691 -14.452 29.138 1.00 0.00 O ATOM 764 CB PHE A 51 -33.311 -17.160 28.417 1.00 0.00 C ATOM 765 CG PHE A 51 -34.526 -17.696 27.706 1.00 0.00 C ATOM 766 CD1 PHE A 51 -35.409 -18.548 28.342 1.00 0.00 C ATOM 767 CD2 PHE A 51 -34.788 -17.325 26.395 1.00 0.00 C ATOM 768 CE1 PHE A 51 -36.526 -19.024 27.681 1.00 0.00 C ATOM 769 CE2 PHE A 51 -35.901 -17.794 25.735 1.00 0.00 C ATOM 770 CZ PHE A 51 -36.772 -18.644 26.379 1.00 0.00 C ATOM 0 H PHE A 51 -33.775 -14.482 27.754 1.00 0.00 H new ATOM 0 HA PHE A 51 -34.195 -16.184 30.137 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -32.547 -16.916 27.678 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -32.900 -17.943 29.054 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -35.225 -18.844 29.364 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -34.109 -16.658 25.885 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -37.206 -19.694 28.185 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -36.091 -17.496 24.714 1.00 0.00 H new ATOM 0 HZ PHE A 51 -37.647 -19.013 25.865 1.00 0.00 H new ATOM 780 N ILE A 52 -31.794 -15.845 30.896 1.00 0.00 N ATOM 781 CA ILE A 52 -30.493 -15.462 31.456 1.00 0.00 C ATOM 782 C ILE A 52 -29.799 -16.692 32.016 1.00 0.00 C ATOM 783 O ILE A 52 -30.403 -17.770 32.088 1.00 0.00 O ATOM 784 CB ILE A 52 -30.605 -14.398 32.585 1.00 0.00 C ATOM 785 CG1 ILE A 52 -31.472 -14.923 33.735 1.00 0.00 C ATOM 786 CG2 ILE A 52 -31.149 -13.085 32.047 1.00 0.00 C ATOM 787 CD1 ILE A 52 -31.494 -14.016 34.942 1.00 0.00 C ATOM 0 H ILE A 52 -32.301 -16.528 31.458 1.00 0.00 H new ATOM 0 HA ILE A 52 -29.919 -15.020 30.641 1.00 0.00 H new ATOM 0 HB ILE A 52 -29.604 -14.207 32.972 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -32.492 -15.060 33.376 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -31.105 -15.904 34.036 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -31.217 -12.360 32.858 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -30.481 -12.704 31.274 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -32.140 -13.248 31.623 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -32.127 -14.453 35.714 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -30.481 -13.898 35.327 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -31.889 -13.041 34.657 1.00 0.00 H new ATOM 799 N LEU A 53 -28.553 -16.540 32.427 1.00 0.00 N ATOM 800 CA LEU A 53 -27.818 -17.642 33.002 1.00 0.00 C ATOM 801 C LEU A 53 -27.814 -17.515 34.498 1.00 0.00 C ATOM 802 O LEU A 53 -27.623 -16.443 35.032 1.00 0.00 O ATOM 803 CB LEU A 53 -26.374 -17.683 32.492 1.00 0.00 C ATOM 804 CG LEU A 53 -26.192 -17.956 31.005 1.00 0.00 C ATOM 805 CD1 LEU A 53 -24.723 -17.878 30.633 1.00 0.00 C ATOM 806 CD2 LEU A 53 -26.746 -19.321 30.653 1.00 0.00 C ATOM 0 H LEU A 53 -28.033 -15.664 32.372 1.00 0.00 H new ATOM 0 HA LEU A 53 -28.310 -18.568 32.703 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -25.901 -16.729 32.725 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -25.836 -18.450 33.049 1.00 0.00 H new ATOM 0 HG LEU A 53 -26.737 -17.199 30.442 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -24.607 -18.075 29.567 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.342 -16.883 30.862 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.164 -18.620 31.202 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -26.610 -19.505 29.587 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.219 -20.086 31.223 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -27.808 -19.356 30.895 1.00 0.00 H new ATOM 818 N VAL A 54 -28.064 -18.596 35.166 1.00 0.00 N ATOM 819 CA VAL A 54 -28.044 -18.602 36.602 1.00 0.00 C ATOM 820 C VAL A 54 -27.073 -19.641 37.108 1.00 0.00 C ATOM 821 O VAL A 54 -27.108 -20.801 36.686 1.00 0.00 O ATOM 822 CB VAL A 54 -29.448 -18.849 37.210 1.00 0.00 C ATOM 823 CG1 VAL A 54 -30.341 -17.632 37.015 1.00 0.00 C ATOM 824 CG2 VAL A 54 -30.095 -20.076 36.593 1.00 0.00 C ATOM 0 H VAL A 54 -28.287 -19.495 34.740 1.00 0.00 H new ATOM 0 HA VAL A 54 -27.719 -17.612 36.922 1.00 0.00 H new ATOM 0 HB VAL A 54 -29.325 -19.023 38.279 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -31.322 -17.827 37.449 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -29.892 -16.769 37.506 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.450 -17.428 35.950 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.079 -20.229 37.035 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.199 -19.931 35.518 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -29.472 -20.950 36.782 1.00 0.00 H new ATOM 834 N GLU A 55 -26.194 -19.229 37.983 1.00 0.00 N ATOM 835 CA GLU A 55 -25.244 -20.138 38.567 1.00 0.00 C ATOM 836 C GLU A 55 -25.891 -20.773 39.771 1.00 0.00 C ATOM 837 O GLU A 55 -26.327 -20.077 40.697 1.00 0.00 O ATOM 838 CB GLU A 55 -23.939 -19.400 38.912 1.00 0.00 C ATOM 839 CG GLU A 55 -22.864 -20.248 39.567 1.00 0.00 C ATOM 840 CD GLU A 55 -22.941 -20.201 41.090 1.00 0.00 C ATOM 841 OE1 GLU A 55 -22.865 -19.083 41.656 1.00 0.00 O ATOM 842 OE2 GLU A 55 -23.082 -21.261 41.720 1.00 0.00 O ATOM 0 H GLU A 55 -26.116 -18.265 38.308 1.00 0.00 H new ATOM 0 HA GLU A 55 -24.969 -20.924 37.864 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -23.532 -18.971 37.997 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.176 -18.569 39.576 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.963 -21.280 39.232 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -21.883 -19.901 39.244 1.00 0.00 H new ATOM 849 N VAL A 56 -25.998 -22.081 39.733 1.00 0.00 N ATOM 850 CA VAL A 56 -26.713 -22.817 40.742 1.00 0.00 C ATOM 851 C VAL A 56 -25.795 -23.765 41.472 1.00 0.00 C ATOM 852 O VAL A 56 -25.037 -24.526 40.855 1.00 0.00 O ATOM 853 CB VAL A 56 -27.878 -23.619 40.112 1.00 0.00 C ATOM 854 CG1 VAL A 56 -28.638 -24.420 41.163 1.00 0.00 C ATOM 855 CG2 VAL A 56 -28.818 -22.693 39.361 1.00 0.00 C ATOM 0 H VAL A 56 -25.591 -22.662 39.000 1.00 0.00 H new ATOM 0 HA VAL A 56 -27.115 -22.094 41.452 1.00 0.00 H new ATOM 0 HB VAL A 56 -27.448 -24.328 39.404 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -29.448 -24.970 40.685 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -27.959 -25.122 41.647 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -29.051 -23.741 41.909 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -29.630 -23.275 38.925 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -29.229 -21.955 40.050 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -28.270 -22.184 38.568 1.00 0.00 H new ATOM 1112 N GLY A 73 -30.753 -19.621 41.526 1.00 0.00 N ATOM 1113 CA GLY A 73 -29.346 -19.299 41.484 1.00 0.00 C ATOM 1114 C GLY A 73 -29.124 -17.812 41.440 1.00 0.00 C ATOM 1115 O GLY A 73 -30.012 -17.040 41.807 1.00 0.00 O ATOM 0 HA2 GLY A 73 -28.849 -19.717 42.360 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -28.891 -19.762 40.608 1.00 0.00 H new ATOM 1119 N ARG A 74 -27.954 -17.396 41.007 1.00 0.00 N ATOM 1120 CA ARG A 74 -27.659 -15.990 40.902 1.00 0.00 C ATOM 1121 C ARG A 74 -27.909 -15.522 39.473 1.00 0.00 C ATOM 1122 O ARG A 74 -27.542 -16.212 38.519 1.00 0.00 O ATOM 1123 CB ARG A 74 -26.213 -15.716 41.313 1.00 0.00 C ATOM 1124 CG ARG A 74 -25.178 -16.425 40.455 1.00 0.00 C ATOM 1125 CD ARG A 74 -23.761 -16.020 40.833 1.00 0.00 C ATOM 1126 NE ARG A 74 -23.412 -16.450 42.186 1.00 0.00 N ATOM 1127 CZ ARG A 74 -23.219 -15.618 43.217 1.00 0.00 C ATOM 1128 NH1 ARG A 74 -23.330 -14.296 43.045 1.00 0.00 N ATOM 1129 NH2 ARG A 74 -22.917 -16.102 44.415 1.00 0.00 N ATOM 0 H ARG A 74 -27.194 -18.014 40.723 1.00 0.00 H new ATOM 0 HA ARG A 74 -28.312 -15.436 41.576 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -26.032 -14.642 41.269 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -26.078 -16.020 42.351 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -25.290 -17.503 40.566 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -25.355 -16.193 39.405 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -23.058 -16.454 40.122 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -23.661 -14.937 40.760 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.309 -17.450 42.356 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -23.562 -13.919 42.126 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.182 -13.665 43.833 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -22.832 -17.109 44.551 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.770 -15.467 45.199 1.00 0.00 H new ATOM 1143 N PRO A 75 -28.555 -14.360 39.303 1.00 0.00 N ATOM 1144 CA PRO A 75 -28.848 -13.823 37.978 1.00 0.00 C ATOM 1145 C PRO A 75 -27.587 -13.333 37.273 1.00 0.00 C ATOM 1146 O PRO A 75 -26.928 -12.391 37.724 1.00 0.00 O ATOM 1147 CB PRO A 75 -29.795 -12.651 38.265 1.00 0.00 C ATOM 1148 CG PRO A 75 -29.486 -12.241 39.663 1.00 0.00 C ATOM 1149 CD PRO A 75 -29.056 -13.489 40.383 1.00 0.00 C ATOM 0 HA PRO A 75 -29.277 -14.574 37.315 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -29.630 -11.830 37.567 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -30.838 -12.952 38.163 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -28.697 -11.489 39.682 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -30.360 -11.798 40.141 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -28.281 -13.279 41.120 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -29.887 -13.950 40.916 1.00 0.00 H new ATOM 1157 N ILE A 76 -27.240 -13.999 36.192 1.00 0.00 N ATOM 1158 CA ILE A 76 -26.075 -13.647 35.411 1.00 0.00 C ATOM 1159 C ILE A 76 -26.484 -13.316 33.983 1.00 0.00 C ATOM 1160 O ILE A 76 -26.748 -14.213 33.173 1.00 0.00 O ATOM 1161 CB ILE A 76 -25.052 -14.803 35.386 1.00 0.00 C ATOM 1162 CG1 ILE A 76 -24.739 -15.260 36.806 1.00 0.00 C ATOM 1163 CG2 ILE A 76 -23.776 -14.374 34.668 1.00 0.00 C ATOM 1164 CD1 ILE A 76 -24.050 -16.596 36.871 1.00 0.00 C ATOM 0 H ILE A 76 -27.758 -14.800 35.831 1.00 0.00 H new ATOM 0 HA ILE A 76 -25.612 -12.777 35.877 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.486 -15.640 34.839 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.110 -14.512 37.289 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -25.667 -15.311 37.375 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -23.067 -15.202 34.660 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -24.013 -14.090 33.643 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.335 -13.523 35.187 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -23.859 -16.856 37.912 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -24.686 -17.356 36.418 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.105 -16.545 36.330 1.00 0.00 H new ATOM 1176 N PRO A 77 -26.592 -12.028 33.669 1.00 0.00 N ATOM 1177 CA PRO A 77 -26.931 -11.567 32.326 1.00 0.00 C ATOM 1178 C PRO A 77 -25.862 -11.958 31.294 1.00 0.00 C ATOM 1179 O PRO A 77 -24.704 -12.207 31.648 1.00 0.00 O ATOM 1180 CB PRO A 77 -26.996 -10.038 32.478 1.00 0.00 C ATOM 1181 CG PRO A 77 -27.206 -9.824 33.934 1.00 0.00 C ATOM 1182 CD PRO A 77 -26.437 -10.910 34.607 1.00 0.00 C ATOM 0 HA PRO A 77 -27.858 -12.011 31.963 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -26.076 -9.564 32.135 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -27.811 -9.614 31.892 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -26.850 -8.841 34.242 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -28.264 -9.875 34.190 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.391 -10.640 34.749 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -26.842 -11.145 35.591 1.00 0.00 H new ATOM 1190 N PRO A 78 -26.244 -11.989 30.000 1.00 0.00 N ATOM 1191 CA PRO A 78 -25.337 -12.357 28.894 1.00 0.00 C ATOM 1192 C PRO A 78 -24.094 -11.467 28.835 1.00 0.00 C ATOM 1193 O PRO A 78 -23.063 -11.849 28.275 1.00 0.00 O ATOM 1194 CB PRO A 78 -26.177 -12.122 27.639 1.00 0.00 C ATOM 1195 CG PRO A 78 -27.594 -12.139 28.092 1.00 0.00 C ATOM 1196 CD PRO A 78 -27.606 -11.697 29.524 1.00 0.00 C ATOM 0 HA PRO A 78 -24.973 -13.378 29.009 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.927 -11.169 27.173 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -25.995 -12.898 26.895 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -28.202 -11.474 27.479 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -28.017 -13.139 27.994 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.840 -10.636 29.612 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.355 -12.238 30.102 1.00 0.00 H new ATOM 1204 N THR A 79 -24.215 -10.286 29.397 1.00 0.00 N ATOM 1205 CA THR A 79 -23.149 -9.301 29.400 1.00 0.00 C ATOM 1206 C THR A 79 -21.932 -9.719 30.254 1.00 0.00 C ATOM 1207 O THR A 79 -20.823 -9.219 30.040 1.00 0.00 O ATOM 1208 CB THR A 79 -23.681 -7.946 29.888 1.00 0.00 C ATOM 1209 OG1 THR A 79 -24.386 -8.128 31.125 1.00 0.00 O ATOM 1210 CG2 THR A 79 -24.622 -7.337 28.858 1.00 0.00 C ATOM 0 H THR A 79 -25.063 -9.976 29.871 1.00 0.00 H new ATOM 0 HA THR A 79 -22.802 -9.222 28.370 1.00 0.00 H new ATOM 0 HB THR A 79 -22.837 -7.272 30.035 1.00 0.00 H new ATOM 0 HG1 THR A 79 -24.725 -7.264 31.439 1.00 0.00 H new ATOM 0 HG21 THR A 79 -24.988 -6.377 29.222 1.00 0.00 H new ATOM 0 HG22 THR A 79 -24.088 -7.189 27.920 1.00 0.00 H new ATOM 0 HG23 THR A 79 -25.465 -8.008 28.693 1.00 0.00 H new ATOM 1218 N GLU A 80 -22.129 -10.621 31.213 1.00 0.00 N ATOM 1219 CA GLU A 80 -21.021 -11.048 32.077 1.00 0.00 C ATOM 1220 C GLU A 80 -20.111 -12.043 31.424 1.00 0.00 C ATOM 1221 O GLU A 80 -20.333 -12.502 30.311 1.00 0.00 O ATOM 1222 CB GLU A 80 -21.497 -11.670 33.387 1.00 0.00 C ATOM 1223 CG GLU A 80 -22.098 -10.709 34.348 1.00 0.00 C ATOM 1224 CD GLU A 80 -21.143 -9.609 34.744 1.00 0.00 C ATOM 1225 OE1 GLU A 80 -20.062 -9.921 35.281 1.00 0.00 O ATOM 1226 OE2 GLU A 80 -21.466 -8.428 34.516 1.00 0.00 O ATOM 0 H GLU A 80 -23.025 -11.065 31.413 1.00 0.00 H new ATOM 0 HA GLU A 80 -20.478 -10.124 32.273 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.231 -12.444 33.161 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -20.652 -12.163 33.868 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.991 -10.268 33.904 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -22.418 -11.246 35.241 1.00 0.00 H new ATOM 1233 N CYS A 81 -19.093 -12.361 32.170 1.00 0.00 N ATOM 1234 CA CYS A 81 -18.129 -13.397 31.848 1.00 0.00 C ATOM 1235 C CYS A 81 -17.868 -14.155 33.142 1.00 0.00 C ATOM 1236 O CYS A 81 -16.805 -14.027 33.759 1.00 0.00 O ATOM 1237 CB CYS A 81 -16.824 -12.800 31.299 1.00 0.00 C ATOM 1238 SG CYS A 81 -17.030 -11.814 29.796 1.00 0.00 S ATOM 0 H CYS A 81 -18.896 -11.894 33.055 1.00 0.00 H new ATOM 0 HA CYS A 81 -18.517 -14.055 31.070 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.371 -12.176 32.070 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.125 -13.611 31.094 1.00 0.00 H new ATOM 0 HG CYS A 81 -18.290 -11.762 29.481 1.00 0.00 H new ATOM 1244 N PRO A 82 -18.862 -14.946 33.582 1.00 0.00 N ATOM 1245 CA PRO A 82 -18.854 -15.575 34.904 1.00 0.00 C ATOM 1246 C PRO A 82 -17.763 -16.648 35.090 1.00 0.00 C ATOM 1247 O PRO A 82 -17.408 -16.986 36.216 1.00 0.00 O ATOM 1248 CB PRO A 82 -20.245 -16.224 34.997 1.00 0.00 C ATOM 1249 CG PRO A 82 -20.663 -16.440 33.587 1.00 0.00 C ATOM 1250 CD PRO A 82 -20.069 -15.306 32.806 1.00 0.00 C ATOM 0 HA PRO A 82 -18.637 -14.838 35.677 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -20.206 -17.165 35.546 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -20.948 -15.578 35.523 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -20.305 -17.400 33.216 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -21.749 -16.449 33.498 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -19.817 -15.608 31.789 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -20.761 -14.467 32.728 1.00 0.00 H new ATOM 1258 N LEU A 83 -17.218 -17.156 33.985 1.00 0.00 N ATOM 1259 CA LEU A 83 -16.275 -18.284 34.033 1.00 0.00 C ATOM 1260 C LEU A 83 -14.997 -17.980 34.808 1.00 0.00 C ATOM 1261 O LEU A 83 -14.519 -18.834 35.557 1.00 0.00 O ATOM 1262 CB LEU A 83 -15.940 -18.788 32.638 1.00 0.00 C ATOM 1263 CG LEU A 83 -17.103 -19.399 31.871 1.00 0.00 C ATOM 1264 CD1 LEU A 83 -16.627 -20.015 30.585 1.00 0.00 C ATOM 1265 CD2 LEU A 83 -17.838 -20.423 32.706 1.00 0.00 C ATOM 0 H LEU A 83 -17.410 -16.808 33.045 1.00 0.00 H new ATOM 0 HA LEU A 83 -16.792 -19.071 34.581 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.539 -17.958 32.056 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.148 -19.533 32.719 1.00 0.00 H new ATOM 0 HG LEU A 83 -17.801 -18.595 31.635 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.475 -20.446 30.052 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.161 -19.249 29.965 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.900 -20.797 30.803 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -18.663 -20.840 32.128 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -17.153 -21.222 32.988 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -18.229 -19.946 33.605 1.00 0.00 H new ATOM 1277 N PHE A 84 -14.437 -16.789 34.635 1.00 0.00 N ATOM 1278 CA PHE A 84 -13.232 -16.424 35.378 1.00 0.00 C ATOM 1279 C PHE A 84 -13.491 -16.460 36.867 1.00 0.00 C ATOM 1280 O PHE A 84 -12.686 -16.975 37.634 1.00 0.00 O ATOM 1281 CB PHE A 84 -12.717 -15.045 34.968 1.00 0.00 C ATOM 1282 CG PHE A 84 -11.915 -15.034 33.702 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -10.547 -15.260 33.737 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -12.515 -14.789 32.489 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -9.796 -15.239 32.579 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -11.771 -14.764 31.325 1.00 0.00 C ATOM 1287 CZ PHE A 84 -10.410 -14.990 31.370 1.00 0.00 C ATOM 0 H PHE A 84 -14.787 -16.071 34.001 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.464 -17.158 35.135 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -13.567 -14.373 34.851 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.104 -14.645 35.775 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.063 -15.455 34.683 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -13.580 -14.614 32.446 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.732 -15.417 32.620 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -12.255 -14.568 30.379 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.828 -14.972 30.461 1.00 0.00 H new ATOM 1297 N GLU A 85 -14.625 -15.939 37.262 1.00 0.00 N ATOM 1298 CA GLU A 85 -15.010 -15.915 38.651 1.00 0.00 C ATOM 1299 C GLU A 85 -15.277 -17.338 39.156 1.00 0.00 C ATOM 1300 O GLU A 85 -14.883 -17.698 40.267 1.00 0.00 O ATOM 1301 CB GLU A 85 -16.236 -15.023 38.814 1.00 0.00 C ATOM 1302 CG GLU A 85 -15.966 -13.584 38.390 1.00 0.00 C ATOM 1303 CD GLU A 85 -17.181 -12.694 38.483 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -17.935 -12.609 37.492 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -17.372 -12.049 39.536 1.00 0.00 O ATOM 0 H GLU A 85 -15.307 -15.520 36.630 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.199 -15.505 39.253 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.057 -15.426 38.221 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.558 -15.038 39.855 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.174 -13.171 39.015 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.598 -13.578 37.364 1.00 0.00 H new ATOM 1312 N MET A 86 -15.927 -18.147 38.320 1.00 0.00 N ATOM 1313 CA MET A 86 -16.227 -19.535 38.666 1.00 0.00 C ATOM 1314 C MET A 86 -14.948 -20.355 38.872 1.00 0.00 C ATOM 1315 O MET A 86 -14.816 -21.068 39.868 1.00 0.00 O ATOM 1316 CB MET A 86 -17.097 -20.194 37.579 1.00 0.00 C ATOM 1317 CG MET A 86 -18.496 -19.613 37.473 1.00 0.00 C ATOM 1318 SD MET A 86 -19.471 -20.367 36.154 1.00 0.00 S ATOM 1319 CE MET A 86 -19.645 -22.045 36.769 1.00 0.00 C ATOM 0 H MET A 86 -16.256 -17.864 37.397 1.00 0.00 H new ATOM 0 HA MET A 86 -16.779 -19.520 39.606 1.00 0.00 H new ATOM 0 HB2 MET A 86 -16.597 -20.090 36.616 1.00 0.00 H new ATOM 0 HB3 MET A 86 -17.172 -21.262 37.786 1.00 0.00 H new ATOM 0 HG2 MET A 86 -19.013 -19.748 38.423 1.00 0.00 H new ATOM 0 HG3 MET A 86 -18.426 -18.539 37.298 1.00 0.00 H new ATOM 0 HE1 MET A 86 -20.455 -22.545 36.238 1.00 0.00 H new ATOM 0 HE2 MET A 86 -18.715 -22.590 36.608 1.00 0.00 H new ATOM 0 HE3 MET A 86 -19.871 -22.020 37.835 1.00 0.00 H new ATOM 1329 N THR A 87 -14.008 -20.225 37.947 1.00 0.00 N ATOM 1330 CA THR A 87 -12.757 -20.981 38.003 1.00 0.00 C ATOM 1331 C THR A 87 -11.835 -20.487 39.121 1.00 0.00 C ATOM 1332 O THR A 87 -11.152 -21.278 39.771 1.00 0.00 O ATOM 1333 CB THR A 87 -12.005 -20.908 36.657 1.00 0.00 C ATOM 1334 OG1 THR A 87 -11.902 -19.544 36.232 1.00 0.00 O ATOM 1335 CG2 THR A 87 -12.721 -21.714 35.591 1.00 0.00 C ATOM 0 H THR A 87 -14.085 -19.601 37.144 1.00 0.00 H new ATOM 0 HA THR A 87 -13.030 -22.015 38.213 1.00 0.00 H new ATOM 0 HB THR A 87 -11.009 -21.327 36.800 1.00 0.00 H new ATOM 0 HG1 THR A 87 -12.753 -19.259 35.839 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.171 -21.646 34.653 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.780 -22.757 35.902 1.00 0.00 H new ATOM 0 HG23 THR A 87 -13.727 -21.319 35.451 1.00 0.00 H new ATOM 1495 N PHE A 100 -22.858 -25.532 38.842 1.00 0.00 N ATOM 1496 CA PHE A 100 -23.210 -25.593 37.443 1.00 0.00 C ATOM 1497 C PHE A 100 -23.933 -24.333 37.021 1.00 0.00 C ATOM 1498 O PHE A 100 -24.441 -23.578 37.855 1.00 0.00 O ATOM 1499 CB PHE A 100 -24.054 -26.835 37.110 1.00 0.00 C ATOM 1500 CG PHE A 100 -25.418 -26.865 37.745 1.00 0.00 C ATOM 1501 CD1 PHE A 100 -26.468 -26.141 37.194 1.00 0.00 C ATOM 1502 CD2 PHE A 100 -25.658 -27.638 38.869 1.00 0.00 C ATOM 1503 CE1 PHE A 100 -27.726 -26.187 37.758 1.00 0.00 C ATOM 1504 CE2 PHE A 100 -26.916 -27.684 39.436 1.00 0.00 C ATOM 1505 CZ PHE A 100 -27.949 -26.959 38.878 1.00 0.00 C ATOM 0 HA PHE A 100 -22.280 -25.673 36.880 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -24.172 -26.896 36.028 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -23.505 -27.723 37.422 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -26.298 -25.536 36.316 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -24.853 -28.210 39.306 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -28.535 -25.619 37.323 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -27.091 -28.287 40.315 1.00 0.00 H new ATOM 0 HZ PHE A 100 -28.934 -26.996 39.320 1.00 0.00 H new ATOM 1515 N LEU A 101 -23.989 -24.113 35.736 1.00 0.00 N ATOM 1516 CA LEU A 101 -24.621 -22.943 35.201 1.00 0.00 C ATOM 1517 C LEU A 101 -25.854 -23.351 34.398 1.00 0.00 C ATOM 1518 O LEU A 101 -25.783 -24.235 33.541 1.00 0.00 O ATOM 1519 CB LEU A 101 -23.615 -22.186 34.344 1.00 0.00 C ATOM 1520 CG LEU A 101 -24.037 -20.817 33.838 1.00 0.00 C ATOM 1521 CD1 LEU A 101 -24.404 -19.912 34.996 1.00 0.00 C ATOM 1522 CD2 LEU A 101 -22.901 -20.210 33.061 1.00 0.00 C ATOM 0 H LEU A 101 -23.598 -24.740 35.033 1.00 0.00 H new ATOM 0 HA LEU A 101 -24.951 -22.284 36.004 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.699 -22.067 34.922 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.369 -22.806 33.482 1.00 0.00 H new ATOM 0 HG LEU A 101 -24.911 -20.927 33.196 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -24.704 -18.936 34.614 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -25.230 -20.352 35.554 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.543 -19.795 35.654 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.196 -19.227 32.694 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.030 -20.110 33.709 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -22.653 -20.853 32.217 1.00 0.00 H new ATOM 1534 N ALA A 102 -26.976 -22.729 34.694 1.00 0.00 N ATOM 1535 CA ALA A 102 -28.230 -23.082 34.058 1.00 0.00 C ATOM 1536 C ALA A 102 -28.864 -21.893 33.364 1.00 0.00 C ATOM 1537 O ALA A 102 -28.445 -20.755 33.556 1.00 0.00 O ATOM 1538 CB ALA A 102 -29.187 -23.646 35.092 1.00 0.00 C ATOM 0 H ALA A 102 -27.046 -21.972 35.374 1.00 0.00 H new ATOM 0 HA ALA A 102 -28.019 -23.835 33.298 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -30.129 -23.910 34.610 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.749 -24.535 35.546 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -29.371 -22.898 35.863 1.00 0.00 H new ATOM 1544 N ILE A 103 -29.870 -22.169 32.554 1.00 0.00 N ATOM 1545 CA ILE A 103 -30.613 -21.133 31.859 1.00 0.00 C ATOM 1546 C ILE A 103 -32.008 -21.031 32.439 1.00 0.00 C ATOM 1547 O ILE A 103 -32.693 -22.040 32.591 1.00 0.00 O ATOM 1548 CB ILE A 103 -30.734 -21.431 30.344 1.00 0.00 C ATOM 1549 CG1 ILE A 103 -29.355 -21.491 29.696 1.00 0.00 C ATOM 1550 CG2 ILE A 103 -31.606 -20.383 29.654 1.00 0.00 C ATOM 1551 CD1 ILE A 103 -29.386 -21.893 28.242 1.00 0.00 C ATOM 0 H ILE A 103 -30.195 -23.116 32.359 1.00 0.00 H new ATOM 0 HA ILE A 103 -30.069 -20.197 31.989 1.00 0.00 H new ATOM 0 HB ILE A 103 -31.211 -22.404 30.226 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -28.879 -20.514 29.784 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -28.735 -22.199 30.246 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -31.677 -20.612 28.591 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -32.603 -20.392 30.095 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -31.161 -19.397 29.784 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -28.370 -21.914 27.849 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -29.832 -22.883 28.148 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -29.979 -21.173 27.678 1.00 0.00 H new ATOM 1563 N LYS A 104 -32.423 -19.829 32.780 1.00 0.00 N ATOM 1564 CA LYS A 104 -33.752 -19.637 33.303 1.00 0.00 C ATOM 1565 C LYS A 104 -34.452 -18.524 32.593 1.00 0.00 C ATOM 1566 O LYS A 104 -33.826 -17.678 31.941 1.00 0.00 O ATOM 1567 CB LYS A 104 -33.743 -19.365 34.779 1.00 0.00 C ATOM 1568 CG LYS A 104 -35.025 -19.818 35.446 1.00 0.00 C ATOM 1569 CD LYS A 104 -34.954 -19.680 36.929 1.00 0.00 C ATOM 1570 CE LYS A 104 -36.257 -20.123 37.579 1.00 0.00 C ATOM 1571 NZ LYS A 104 -36.195 -20.037 39.056 1.00 0.00 N ATOM 0 H LYS A 104 -31.863 -18.980 32.704 1.00 0.00 H new ATOM 0 HA LYS A 104 -34.292 -20.568 33.132 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -32.896 -19.876 35.237 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -33.602 -18.298 34.950 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -35.860 -19.230 35.065 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -35.222 -20.858 35.186 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -34.129 -20.278 37.315 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -34.746 -18.643 37.192 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -37.075 -19.502 37.213 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -36.479 -21.149 37.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -37.102 -20.347 39.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -35.431 -20.649 39.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -36.008 -19.054 39.339 1.00 0.00 H new ATOM 1585 N ARG A 105 -35.738 -18.522 32.733 1.00 0.00 N ATOM 1586 CA ARG A 105 -36.582 -17.536 32.118 1.00 0.00 C ATOM 1587 C ARG A 105 -36.634 -16.299 32.992 1.00 0.00 C ATOM 1588 O ARG A 105 -37.270 -16.307 34.048 1.00 0.00 O ATOM 1589 CB ARG A 105 -37.982 -18.111 31.936 1.00 0.00 C ATOM 1590 CG ARG A 105 -38.026 -19.321 31.018 1.00 0.00 C ATOM 1591 CD ARG A 105 -39.407 -19.938 30.984 1.00 0.00 C ATOM 1592 NE ARG A 105 -39.764 -20.533 32.276 1.00 0.00 N ATOM 1593 CZ ARG A 105 -40.972 -21.011 32.580 1.00 0.00 C ATOM 1594 NH1 ARG A 105 -41.951 -20.983 31.674 1.00 0.00 N ATOM 1595 NH2 ARG A 105 -41.200 -21.526 33.788 1.00 0.00 N ATOM 0 H ARG A 105 -36.244 -19.214 33.285 1.00 0.00 H new ATOM 0 HA ARG A 105 -36.180 -17.263 31.142 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -38.381 -18.390 32.911 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -38.635 -17.336 31.534 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -37.733 -19.026 30.010 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -37.303 -20.063 31.356 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -40.140 -19.176 30.719 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -39.446 -20.702 30.208 1.00 0.00 H new ATOM 0 HE ARG A 105 -39.039 -20.585 32.991 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -41.777 -20.596 30.747 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -42.874 -21.349 31.909 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -40.451 -21.555 34.480 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -42.123 -21.891 34.021 1.00 0.00 H new ATOM 1609 N LYS A 106 -35.928 -15.253 32.573 1.00 0.00 N ATOM 1610 CA LYS A 106 -35.907 -13.989 33.314 1.00 0.00 C ATOM 1611 C LYS A 106 -37.338 -13.473 33.540 1.00 0.00 C ATOM 1612 O LYS A 106 -38.250 -13.813 32.780 1.00 0.00 O ATOM 1613 CB LYS A 106 -35.092 -12.925 32.564 1.00 0.00 C ATOM 1614 CG LYS A 106 -35.766 -12.408 31.296 1.00 0.00 C ATOM 1615 CD LYS A 106 -35.119 -11.127 30.781 1.00 0.00 C ATOM 1616 CE LYS A 106 -33.663 -11.339 30.402 1.00 0.00 C ATOM 1617 NZ LYS A 106 -33.089 -10.148 29.729 1.00 0.00 N ATOM 0 H LYS A 106 -35.362 -15.252 31.725 1.00 0.00 H new ATOM 0 HA LYS A 106 -35.435 -14.178 34.278 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -34.907 -12.085 33.233 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -34.120 -13.344 32.302 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -35.717 -13.174 30.522 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -36.822 -12.225 31.497 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -35.671 -10.765 29.913 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -35.186 -10.354 31.546 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -33.084 -11.565 31.297 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -33.581 -12.203 29.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -32.057 -10.255 29.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -33.498 -10.056 28.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -33.309 -9.296 30.284 1.00 0.00 H new