USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 TYR OH : rot 133:sc= 0.281 USER MOD Set 1.2: A 70 CYS SG : rot -82:sc= 0.416 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 106:sc= -0.16 USER MOD Single : A 28 SER OG : rot -100:sc= -1.06 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 74:sc= 0.324 USER MOD Single : A 46 GLN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.195 K(o=-0.2,f=-2.3!) USER MOD Single : A 54 ASN : amide:sc=-0.000739 X(o=-0.00074,f=-0.24) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.125 USER MOD Single : A 60 HIS : no HD1:sc= 0.78 K(o=0.78,f=-3.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -63:sc= 1.13 USER MOD Single : A 75 HIS : no HD1:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 76 MET CE :methyl 160:sc= -0.0868 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 41 N VAL A 3 2.689 -1.703 -14.601 1.00 0.00 N ATOM 42 CA VAL A 3 2.400 -1.621 -13.174 1.00 0.00 C ATOM 43 C VAL A 3 2.579 -0.189 -12.654 1.00 0.00 C ATOM 44 O VAL A 3 3.301 0.610 -13.256 1.00 0.00 O ATOM 45 CB VAL A 3 3.310 -2.584 -12.378 1.00 0.00 C ATOM 46 CG1 VAL A 3 4.763 -2.124 -12.418 1.00 0.00 C ATOM 47 CG2 VAL A 3 2.822 -2.729 -10.947 1.00 0.00 C ATOM 0 HA VAL A 3 1.360 -1.914 -13.031 1.00 0.00 H new ATOM 0 HB VAL A 3 3.259 -3.564 -12.852 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.381 -2.820 -11.850 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.107 -2.094 -13.452 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.842 -1.129 -11.981 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.478 -3.411 -10.406 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.831 -1.754 -10.459 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.807 -3.126 -10.947 1.00 0.00 H new ATOM 57 N ARG A 4 1.916 0.133 -11.539 1.00 0.00 N ATOM 58 CA ARG A 4 2.002 1.466 -10.948 1.00 0.00 C ATOM 59 C ARG A 4 2.692 1.420 -9.584 1.00 0.00 C ATOM 60 O ARG A 4 2.476 0.499 -8.798 1.00 0.00 O ATOM 61 CB ARG A 4 0.599 2.068 -10.809 1.00 0.00 C ATOM 62 CG ARG A 4 0.587 3.462 -10.199 1.00 0.00 C ATOM 63 CD ARG A 4 -0.790 3.831 -9.664 1.00 0.00 C ATOM 64 NE ARG A 4 -1.138 5.220 -9.959 1.00 0.00 N ATOM 65 CZ ARG A 4 -1.597 5.642 -11.139 1.00 0.00 C ATOM 66 NH1 ARG A 4 -1.755 4.788 -12.149 1.00 0.00 N ATOM 67 NH2 ARG A 4 -1.898 6.926 -11.314 1.00 0.00 N ATOM 0 H ARG A 4 1.314 -0.514 -11.029 1.00 0.00 H new ATOM 0 HA ARG A 4 2.599 2.094 -11.608 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.132 2.108 -11.793 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.011 1.407 -10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.317 3.512 -9.391 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.893 4.190 -10.950 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.538 3.169 -10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.815 3.672 -8.586 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.023 5.910 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.525 3.802 -12.024 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.106 5.120 -13.047 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.778 7.587 -10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.249 7.249 -12.216 1.00 0.00 H new ATOM 81 N SER A 5 3.518 2.431 -9.309 1.00 0.00 N ATOM 82 CA SER A 5 4.236 2.520 -8.038 1.00 0.00 C ATOM 83 C SER A 5 3.700 3.676 -7.196 1.00 0.00 C ATOM 84 O SER A 5 3.441 4.763 -7.715 1.00 0.00 O ATOM 85 CB SER A 5 5.736 2.705 -8.285 1.00 0.00 C ATOM 86 OG SER A 5 6.191 1.867 -9.335 1.00 0.00 O ATOM 0 H SER A 5 3.706 3.201 -9.951 1.00 0.00 H new ATOM 0 HA SER A 5 4.079 1.590 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.940 3.747 -8.533 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.288 2.481 -7.372 1.00 0.00 H new ATOM 0 HG SER A 5 7.151 2.007 -9.472 1.00 0.00 H new ATOM 92 N VAL A 6 3.526 3.431 -5.897 1.00 0.00 N ATOM 93 CA VAL A 6 3.009 4.451 -4.987 1.00 0.00 C ATOM 94 C VAL A 6 4.071 4.913 -3.993 1.00 0.00 C ATOM 95 O VAL A 6 4.795 4.097 -3.417 1.00 0.00 O ATOM 96 CB VAL A 6 1.785 3.938 -4.201 1.00 0.00 C ATOM 97 CG1 VAL A 6 1.115 5.077 -3.446 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.793 3.249 -5.129 1.00 0.00 C ATOM 0 H VAL A 6 3.735 2.537 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 6 2.712 5.294 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 6 2.133 3.204 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.254 4.694 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.825 5.516 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.786 5.838 -4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.061 2.896 -4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.452 3.955 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.277 2.402 -5.615 1.00 0.00 H new ATOM 108 N GLU A 7 4.148 6.228 -3.790 1.00 0.00 N ATOM 109 CA GLU A 7 5.108 6.815 -2.862 1.00 0.00 C ATOM 110 C GLU A 7 4.432 7.871 -1.988 1.00 0.00 C ATOM 111 O GLU A 7 4.203 9.000 -2.426 1.00 0.00 O ATOM 112 CB GLU A 7 6.276 7.432 -3.631 1.00 0.00 C ATOM 113 CG GLU A 7 7.119 6.410 -4.373 1.00 0.00 C ATOM 114 CD GLU A 7 8.197 7.048 -5.224 1.00 0.00 C ATOM 115 OE1 GLU A 7 9.272 7.370 -4.675 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.966 7.229 -6.439 1.00 0.00 O ATOM 0 H GLU A 7 3.552 6.909 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 7 5.491 6.026 -2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.888 8.158 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.911 7.979 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.582 5.736 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.472 5.804 -5.007 1.00 0.00 H new ATOM 123 N VAL A 8 4.105 7.490 -0.754 1.00 0.00 N ATOM 124 CA VAL A 8 3.446 8.395 0.182 1.00 0.00 C ATOM 125 C VAL A 8 4.411 8.867 1.270 1.00 0.00 C ATOM 126 O VAL A 8 5.344 8.155 1.643 1.00 0.00 O ATOM 127 CB VAL A 8 2.217 7.728 0.844 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.378 8.762 1.578 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.374 6.998 -0.192 1.00 0.00 C ATOM 0 H VAL A 8 4.287 6.559 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 8 3.111 9.257 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 8 2.577 6.997 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.518 8.274 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.981 9.237 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.032 9.517 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.516 6.537 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.026 7.707 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.976 6.226 -0.672 1.00 0.00 H new ATOM 139 N ALA A 9 4.170 10.076 1.777 1.00 0.00 N ATOM 140 CA ALA A 9 4.999 10.661 2.820 1.00 0.00 C ATOM 141 C ALA A 9 4.352 10.496 4.187 1.00 0.00 C ATOM 142 O ALA A 9 3.466 11.266 4.565 1.00 0.00 O ATOM 143 CB ALA A 9 5.255 12.135 2.532 1.00 0.00 C ATOM 0 H ALA A 9 3.398 10.671 1.476 1.00 0.00 H new ATOM 0 HA ALA A 9 5.953 10.134 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.876 12.557 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.767 12.235 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.305 12.668 2.493 1.00 0.00 H new ATOM 149 N ARG A 10 4.800 9.484 4.917 1.00 0.00 N ATOM 150 CA ARG A 10 4.276 9.198 6.253 1.00 0.00 C ATOM 151 C ARG A 10 4.288 10.456 7.118 1.00 0.00 C ATOM 152 O ARG A 10 5.341 11.054 7.344 1.00 0.00 O ATOM 153 CB ARG A 10 5.096 8.094 6.926 1.00 0.00 C ATOM 154 CG ARG A 10 4.577 7.703 8.301 1.00 0.00 C ATOM 155 CD ARG A 10 5.623 6.939 9.096 1.00 0.00 C ATOM 156 NE ARG A 10 6.641 7.825 9.659 1.00 0.00 N ATOM 157 CZ ARG A 10 6.479 8.534 10.780 1.00 0.00 C ATOM 158 NH1 ARG A 10 5.331 8.479 11.454 1.00 0.00 N ATOM 159 NH2 ARG A 10 7.465 9.304 11.223 1.00 0.00 N ATOM 0 H ARG A 10 5.529 8.842 4.608 1.00 0.00 H new ATOM 0 HA ARG A 10 3.246 8.857 6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.100 7.213 6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.130 8.426 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.285 8.599 8.849 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.682 7.090 8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.136 6.389 9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.101 6.202 8.451 1.00 0.00 H new ATOM 0 HE ARG A 10 7.530 7.907 9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.568 7.893 11.115 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.215 9.023 12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.344 9.354 10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.344 9.846 12.078 1.00 0.00 H new ATOM 173 N GLY A 11 3.110 10.853 7.592 1.00 0.00 N ATOM 174 CA GLY A 11 2.999 12.039 8.421 1.00 0.00 C ATOM 175 C GLY A 11 3.596 11.846 9.802 1.00 0.00 C ATOM 176 O GLY A 11 4.818 11.790 9.955 1.00 0.00 O ATOM 0 H GLY A 11 2.228 10.372 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.500 12.871 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.948 12.312 8.519 1.00 0.00 H new ATOM 180 N ARG A 12 2.735 11.751 10.809 1.00 0.00 N ATOM 181 CA ARG A 12 3.183 11.571 12.189 1.00 0.00 C ATOM 182 C ARG A 12 2.673 10.254 12.769 1.00 0.00 C ATOM 183 O ARG A 12 3.402 9.563 13.485 1.00 0.00 O ATOM 184 CB ARG A 12 2.724 12.750 13.050 1.00 0.00 C ATOM 185 CG ARG A 12 3.271 14.090 12.580 1.00 0.00 C ATOM 186 CD ARG A 12 2.164 15.002 12.073 1.00 0.00 C ATOM 187 NE ARG A 12 2.038 14.958 10.615 1.00 0.00 N ATOM 188 CZ ARG A 12 1.201 15.728 9.915 1.00 0.00 C ATOM 189 NH1 ARG A 12 0.426 16.615 10.530 1.00 0.00 N ATOM 190 NH2 ARG A 12 1.143 15.614 8.593 1.00 0.00 N ATOM 0 H ARG A 12 1.722 11.795 10.698 1.00 0.00 H new ATOM 0 HA ARG A 12 4.272 11.535 12.191 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.635 12.790 13.048 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.035 12.580 14.081 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.796 14.577 13.401 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.001 13.927 11.787 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.217 14.709 12.527 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.366 16.026 12.388 1.00 0.00 H new ATOM 0 HE ARG A 12 2.625 14.299 10.103 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.468 16.712 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.210 17.199 9.988 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.738 14.939 8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.504 16.202 8.058 1.00 0.00 H new ATOM 204 N ALA A 13 1.427 9.908 12.457 1.00 0.00 N ATOM 205 CA ALA A 13 0.835 8.671 12.950 1.00 0.00 C ATOM 206 C ALA A 13 0.612 7.660 11.819 1.00 0.00 C ATOM 207 O ALA A 13 -0.332 6.866 11.862 1.00 0.00 O ATOM 208 CB ALA A 13 -0.474 8.961 13.671 1.00 0.00 C ATOM 0 H ALA A 13 0.810 10.466 11.867 1.00 0.00 H new ATOM 0 HA ALA A 13 1.537 8.226 13.655 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.904 8.027 14.034 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.285 9.625 14.514 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.171 9.438 12.982 1.00 0.00 H new ATOM 214 N GLY A 14 1.489 7.685 10.813 1.00 0.00 N ATOM 215 CA GLY A 14 1.368 6.761 9.697 1.00 0.00 C ATOM 216 C GLY A 14 0.956 7.447 8.406 1.00 0.00 C ATOM 217 O GLY A 14 1.456 8.526 8.084 1.00 0.00 O ATOM 0 H GLY A 14 2.279 8.328 10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.321 6.255 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.635 5.993 9.945 1.00 0.00 H new ATOM 221 N TYR A 15 0.046 6.813 7.664 1.00 0.00 N ATOM 222 CA TYR A 15 -0.430 7.361 6.396 1.00 0.00 C ATOM 223 C TYR A 15 -1.922 7.689 6.461 1.00 0.00 C ATOM 224 O TYR A 15 -2.303 8.836 6.704 1.00 0.00 O ATOM 225 CB TYR A 15 -0.160 6.373 5.255 1.00 0.00 C ATOM 226 CG TYR A 15 1.310 6.166 4.958 1.00 0.00 C ATOM 227 CD1 TYR A 15 2.047 7.147 4.310 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.953 4.990 5.320 1.00 0.00 C ATOM 229 CE1 TYR A 15 3.384 6.961 4.029 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.293 4.799 5.046 1.00 0.00 C ATOM 231 CZ TYR A 15 4.003 5.787 4.399 1.00 0.00 C ATOM 232 OH TYR A 15 5.333 5.599 4.120 1.00 0.00 O ATOM 0 H TYR A 15 -0.375 5.920 7.921 1.00 0.00 H new ATOM 0 HA TYR A 15 0.114 8.286 6.205 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.609 5.412 5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.656 6.731 4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.566 8.070 4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.397 4.213 5.823 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.944 7.732 3.521 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.782 3.881 5.337 1.00 0.00 H new ATOM 0 HH TYR A 15 5.789 5.257 4.917 1.00 0.00 H new ATOM 242 N GLY A 16 -2.758 6.677 6.241 1.00 0.00 N ATOM 243 CA GLY A 16 -4.195 6.874 6.271 1.00 0.00 C ATOM 244 C GLY A 16 -4.917 5.993 5.269 1.00 0.00 C ATOM 245 O GLY A 16 -5.679 6.486 4.434 1.00 0.00 O ATOM 0 H GLY A 16 -2.463 5.721 6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.568 6.662 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.421 7.920 6.061 1.00 0.00 H new ATOM 249 N PHE A 17 -4.681 4.689 5.360 1.00 0.00 N ATOM 250 CA PHE A 17 -5.313 3.725 4.463 1.00 0.00 C ATOM 251 C PHE A 17 -5.650 2.435 5.206 1.00 0.00 C ATOM 252 O PHE A 17 -5.189 2.218 6.331 1.00 0.00 O ATOM 253 CB PHE A 17 -4.414 3.433 3.254 1.00 0.00 C ATOM 254 CG PHE A 17 -3.009 3.017 3.607 1.00 0.00 C ATOM 255 CD1 PHE A 17 -2.752 1.755 4.118 1.00 0.00 C ATOM 256 CD2 PHE A 17 -1.948 3.887 3.419 1.00 0.00 C ATOM 257 CE1 PHE A 17 -1.462 1.370 4.437 1.00 0.00 C ATOM 258 CE2 PHE A 17 -0.657 3.507 3.736 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.414 2.247 4.244 1.00 0.00 C ATOM 0 H PHE A 17 -4.054 4.273 6.048 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.242 4.162 4.098 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.874 2.645 2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.369 4.323 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.568 1.064 4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.131 4.874 3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.275 0.384 4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.161 4.196 3.586 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.594 1.948 4.490 1.00 0.00 H new ATOM 269 N THR A 18 -6.465 1.586 4.583 1.00 0.00 N ATOM 270 CA THR A 18 -6.872 0.324 5.195 1.00 0.00 C ATOM 271 C THR A 18 -6.317 -0.876 4.426 1.00 0.00 C ATOM 272 O THR A 18 -6.252 -0.865 3.194 1.00 0.00 O ATOM 273 CB THR A 18 -8.402 0.242 5.266 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.952 1.477 5.693 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.904 -0.832 6.209 1.00 0.00 C ATOM 0 H THR A 18 -6.856 1.749 3.655 1.00 0.00 H new ATOM 0 HA THR A 18 -6.462 0.294 6.204 1.00 0.00 H new ATOM 0 HB THR A 18 -8.723 -0.007 4.254 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.929 1.405 5.730 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.994 -0.834 6.210 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.539 -1.805 5.880 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.540 -0.630 7.217 1.00 0.00 H new ATOM 283 N LEU A 19 -5.918 -1.911 5.170 1.00 0.00 N ATOM 284 CA LEU A 19 -5.368 -3.127 4.576 1.00 0.00 C ATOM 285 C LEU A 19 -5.992 -4.372 5.204 1.00 0.00 C ATOM 286 O LEU A 19 -5.921 -4.560 6.420 1.00 0.00 O ATOM 287 CB LEU A 19 -3.846 -3.164 4.762 1.00 0.00 C ATOM 288 CG LEU A 19 -3.023 -2.962 3.487 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.536 -3.058 3.798 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.416 -3.984 2.427 1.00 0.00 C ATOM 0 H LEU A 19 -5.967 -1.928 6.189 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.603 -3.119 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.566 -2.394 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.574 -4.124 5.201 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.232 -1.967 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.963 -2.912 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.265 -2.289 4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.314 -4.041 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.820 -3.824 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.237 -4.990 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.473 -3.870 2.186 1.00 0.00 H new ATOM 302 N SER A 20 -6.595 -5.219 4.370 1.00 0.00 N ATOM 303 CA SER A 20 -7.227 -6.450 4.848 1.00 0.00 C ATOM 304 C SER A 20 -7.113 -7.572 3.813 1.00 0.00 C ATOM 305 O SER A 20 -6.722 -7.337 2.668 1.00 0.00 O ATOM 306 CB SER A 20 -8.700 -6.200 5.183 1.00 0.00 C ATOM 307 OG SER A 20 -8.837 -5.192 6.171 1.00 0.00 O ATOM 0 H SER A 20 -6.660 -5.076 3.362 1.00 0.00 H new ATOM 0 HA SER A 20 -6.702 -6.762 5.751 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.236 -5.904 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.157 -7.124 5.537 1.00 0.00 H new ATOM 0 HG SER A 20 -9.787 -5.051 6.365 1.00 0.00 H new ATOM 313 N GLY A 21 -7.458 -8.793 4.230 1.00 0.00 N ATOM 314 CA GLY A 21 -7.394 -9.942 3.337 1.00 0.00 C ATOM 315 C GLY A 21 -6.488 -11.041 3.867 1.00 0.00 C ATOM 316 O GLY A 21 -6.783 -12.227 3.702 1.00 0.00 O ATOM 0 H GLY A 21 -7.781 -9.006 5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.398 -10.342 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.035 -9.619 2.360 1.00 0.00 H new ATOM 320 N GLN A 22 -5.380 -10.636 4.494 1.00 0.00 N ATOM 321 CA GLN A 22 -4.394 -11.560 5.063 1.00 0.00 C ATOM 322 C GLN A 22 -3.438 -12.085 3.995 1.00 0.00 C ATOM 323 O GLN A 22 -2.220 -12.070 4.180 1.00 0.00 O ATOM 324 CB GLN A 22 -5.073 -12.731 5.787 1.00 0.00 C ATOM 325 CG GLN A 22 -4.502 -13.000 7.172 1.00 0.00 C ATOM 326 CD GLN A 22 -4.147 -14.458 7.386 1.00 0.00 C ATOM 327 OE1 GLN A 22 -5.010 -15.279 7.690 1.00 0.00 O ATOM 328 NE2 GLN A 22 -2.867 -14.789 7.230 1.00 0.00 N ATOM 0 H GLN A 22 -5.140 -9.653 4.622 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.815 -10.995 5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.139 -12.524 5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.973 -13.631 5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.612 -12.388 7.318 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.227 -12.693 7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.183 -14.076 6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.570 -15.756 7.363 1.00 0.00 H new ATOM 337 N ALA A 23 -4.000 -12.551 2.885 1.00 0.00 N ATOM 338 CA ALA A 23 -3.207 -13.085 1.784 1.00 0.00 C ATOM 339 C ALA A 23 -3.062 -12.064 0.652 1.00 0.00 C ATOM 340 O ALA A 23 -1.955 -11.600 0.376 1.00 0.00 O ATOM 341 CB ALA A 23 -3.834 -14.372 1.275 1.00 0.00 C ATOM 0 H ALA A 23 -5.007 -12.570 2.724 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.205 -13.301 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.238 -14.767 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.869 -15.104 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.846 -14.170 0.925 1.00 0.00 H new ATOM 347 N PRO A 24 -4.175 -11.693 -0.020 1.00 0.00 N ATOM 348 CA PRO A 24 -4.140 -10.722 -1.117 1.00 0.00 C ATOM 349 C PRO A 24 -4.101 -9.282 -0.615 1.00 0.00 C ATOM 350 O PRO A 24 -5.140 -8.694 -0.304 1.00 0.00 O ATOM 351 CB PRO A 24 -5.446 -11.001 -1.860 1.00 0.00 C ATOM 352 CG PRO A 24 -6.385 -11.465 -0.802 1.00 0.00 C ATOM 353 CD PRO A 24 -5.549 -12.186 0.227 1.00 0.00 C ATOM 0 HA PRO A 24 -3.248 -10.825 -1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.819 -10.105 -2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.310 -11.760 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.911 -10.622 -0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.143 -12.128 -1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.879 -11.958 1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.613 -13.267 0.107 1.00 0.00 H new ATOM 361 N CYS A 25 -2.897 -8.718 -0.536 1.00 0.00 N ATOM 362 CA CYS A 25 -2.729 -7.343 -0.074 1.00 0.00 C ATOM 363 C CYS A 25 -3.460 -6.380 -1.001 1.00 0.00 C ATOM 364 O CYS A 25 -3.125 -6.267 -2.180 1.00 0.00 O ATOM 365 CB CYS A 25 -1.244 -6.975 0.001 1.00 0.00 C ATOM 366 SG CYS A 25 -0.257 -8.091 1.025 1.00 0.00 S ATOM 0 H CYS A 25 -2.028 -9.190 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.156 -7.264 0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.832 -6.965 -1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.151 -5.962 0.393 1.00 0.00 H new ATOM 0 HG CYS A 25 0.465 -8.856 0.261 1.00 0.00 H new ATOM 372 N VAL A 26 -4.473 -5.704 -0.468 1.00 0.00 N ATOM 373 CA VAL A 26 -5.262 -4.763 -1.254 1.00 0.00 C ATOM 374 C VAL A 26 -5.803 -3.636 -0.382 1.00 0.00 C ATOM 375 O VAL A 26 -6.190 -3.860 0.768 1.00 0.00 O ATOM 376 CB VAL A 26 -6.435 -5.481 -1.960 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.327 -6.190 -0.949 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.242 -4.506 -2.806 1.00 0.00 C ATOM 0 H VAL A 26 -4.766 -5.791 0.505 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.602 -4.336 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.014 -6.235 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.145 -6.687 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.742 -6.930 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.734 -5.461 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.061 -5.037 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.647 -3.720 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.597 -4.062 -3.564 1.00 0.00 H new ATOM 388 N LEU A 27 -5.833 -2.425 -0.934 1.00 0.00 N ATOM 389 CA LEU A 27 -6.334 -1.270 -0.201 1.00 0.00 C ATOM 390 C LEU A 27 -7.858 -1.300 -0.135 1.00 0.00 C ATOM 391 O LEU A 27 -8.540 -0.786 -1.023 1.00 0.00 O ATOM 392 CB LEU A 27 -5.856 0.035 -0.852 1.00 0.00 C ATOM 393 CG LEU A 27 -4.811 0.813 -0.051 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.428 0.637 -0.660 1.00 0.00 C ATOM 395 CD2 LEU A 27 -5.183 2.287 0.018 1.00 0.00 C ATOM 0 H LEU A 27 -5.517 -2.221 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.940 -1.313 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.441 -0.197 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.720 0.679 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.789 0.416 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.699 1.198 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.160 -0.420 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.432 1.006 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.429 2.826 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.234 2.697 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.153 2.395 0.503 1.00 0.00 H new ATOM 407 N SER A 28 -8.383 -1.917 0.921 1.00 0.00 N ATOM 408 CA SER A 28 -9.829 -2.028 1.112 1.00 0.00 C ATOM 409 C SER A 28 -10.507 -0.659 1.032 1.00 0.00 C ATOM 410 O SER A 28 -11.615 -0.538 0.508 1.00 0.00 O ATOM 411 CB SER A 28 -10.138 -2.691 2.456 1.00 0.00 C ATOM 412 OG SER A 28 -9.557 -1.966 3.527 1.00 0.00 O ATOM 0 H SER A 28 -7.828 -2.349 1.660 1.00 0.00 H new ATOM 0 HA SER A 28 -10.226 -2.649 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.217 -2.751 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.759 -3.713 2.457 1.00 0.00 H new ATOM 0 HG SER A 28 -8.727 -2.405 3.807 1.00 0.00 H new ATOM 418 N CYS A 29 -9.831 0.367 1.549 1.00 0.00 N ATOM 419 CA CYS A 29 -10.365 1.727 1.531 1.00 0.00 C ATOM 420 C CYS A 29 -9.288 2.749 1.889 1.00 0.00 C ATOM 421 O CYS A 29 -8.280 2.413 2.516 1.00 0.00 O ATOM 422 CB CYS A 29 -11.545 1.855 2.496 1.00 0.00 C ATOM 423 SG CYS A 29 -12.730 3.145 2.048 1.00 0.00 S ATOM 0 H CYS A 29 -8.913 0.281 1.985 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.710 1.932 0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.066 0.899 2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.162 2.060 3.496 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.692 3.174 2.922 1.00 0.00 H new ATOM 429 N VAL A 30 -9.513 3.999 1.488 1.00 0.00 N ATOM 430 CA VAL A 30 -8.573 5.082 1.762 1.00 0.00 C ATOM 431 C VAL A 30 -9.229 6.170 2.610 1.00 0.00 C ATOM 432 O VAL A 30 -10.452 6.328 2.594 1.00 0.00 O ATOM 433 CB VAL A 30 -8.034 5.708 0.456 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.854 6.625 0.743 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.636 4.621 -0.534 1.00 0.00 C ATOM 0 H VAL A 30 -10.343 4.287 0.970 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.738 4.649 2.313 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.830 6.305 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.491 7.054 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.170 7.426 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.055 6.053 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.259 5.081 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.859 3.996 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.505 4.007 -0.769 1.00 0.00 H new ATOM 445 N MET A 31 -8.411 6.920 3.347 1.00 0.00 N ATOM 446 CA MET A 31 -8.904 7.992 4.197 1.00 0.00 C ATOM 447 C MET A 31 -8.763 9.336 3.500 1.00 0.00 C ATOM 448 O MET A 31 -7.674 9.913 3.438 1.00 0.00 O ATOM 449 CB MET A 31 -8.158 8.019 5.531 1.00 0.00 C ATOM 450 CG MET A 31 -8.258 6.723 6.321 1.00 0.00 C ATOM 451 SD MET A 31 -7.341 6.785 7.873 1.00 0.00 S ATOM 452 CE MET A 31 -8.204 5.543 8.829 1.00 0.00 C ATOM 0 H MET A 31 -7.398 6.800 3.369 1.00 0.00 H new ATOM 0 HA MET A 31 -9.960 7.803 4.392 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.107 8.238 5.344 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.550 8.834 6.139 1.00 0.00 H new ATOM 0 HG2 MET A 31 -9.306 6.509 6.531 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.881 5.901 5.713 1.00 0.00 H new ATOM 0 HE1 MET A 31 -7.751 5.465 9.817 1.00 0.00 H new ATOM 0 HE2 MET A 31 -9.252 5.826 8.931 1.00 0.00 H new ATOM 0 HE3 MET A 31 -8.136 4.581 8.322 1.00 0.00 H new ATOM 462 N ARG A 32 -9.878 9.819 2.977 1.00 0.00 N ATOM 463 CA ARG A 32 -9.930 11.097 2.269 1.00 0.00 C ATOM 464 C ARG A 32 -9.313 12.217 3.104 1.00 0.00 C ATOM 465 O ARG A 32 -9.729 12.458 4.239 1.00 0.00 O ATOM 466 CB ARG A 32 -11.377 11.449 1.919 1.00 0.00 C ATOM 467 CG ARG A 32 -11.826 10.917 0.567 1.00 0.00 C ATOM 468 CD ARG A 32 -13.336 10.991 0.414 1.00 0.00 C ATOM 469 NE ARG A 32 -13.845 9.997 -0.531 1.00 0.00 N ATOM 470 CZ ARG A 32 -13.814 10.139 -1.858 1.00 0.00 C ATOM 471 NH1 ARG A 32 -13.262 11.218 -2.411 1.00 0.00 N ATOM 472 NH2 ARG A 32 -14.331 9.194 -2.637 1.00 0.00 N ATOM 0 H ARG A 32 -10.776 9.339 3.029 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.351 10.995 1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.035 11.053 2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.490 12.533 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.350 11.491 -0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.498 9.884 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.806 10.840 1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.617 11.988 0.076 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.249 9.141 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.858 11.944 -1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.243 11.318 -3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.750 8.363 -2.221 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.308 9.300 -3.651 1.00 0.00 H new ATOM 486 N GLY A 33 -8.317 12.891 2.534 1.00 0.00 N ATOM 487 CA GLY A 33 -7.652 13.976 3.235 1.00 0.00 C ATOM 488 C GLY A 33 -6.263 13.603 3.730 1.00 0.00 C ATOM 489 O GLY A 33 -5.428 14.478 3.962 1.00 0.00 O ATOM 0 H GLY A 33 -7.958 12.704 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.576 14.837 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.264 14.281 4.084 1.00 0.00 H new ATOM 493 N SER A 34 -6.013 12.304 3.890 1.00 0.00 N ATOM 494 CA SER A 34 -4.716 11.823 4.352 1.00 0.00 C ATOM 495 C SER A 34 -3.731 11.719 3.184 1.00 0.00 C ATOM 496 O SER A 34 -4.127 11.803 2.021 1.00 0.00 O ATOM 497 CB SER A 34 -4.870 10.460 5.039 1.00 0.00 C ATOM 498 OG SER A 34 -6.055 10.410 5.820 1.00 0.00 O ATOM 0 H SER A 34 -6.694 11.567 3.706 1.00 0.00 H new ATOM 0 HA SER A 34 -4.320 12.538 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.893 9.671 4.287 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.005 10.270 5.674 1.00 0.00 H new ATOM 0 HG SER A 34 -6.834 10.340 5.229 1.00 0.00 H new ATOM 504 N PRO A 35 -2.427 11.528 3.484 1.00 0.00 N ATOM 505 CA PRO A 35 -1.377 11.407 2.459 1.00 0.00 C ATOM 506 C PRO A 35 -1.708 10.388 1.365 1.00 0.00 C ATOM 507 O PRO A 35 -1.215 10.494 0.243 1.00 0.00 O ATOM 508 CB PRO A 35 -0.157 10.943 3.260 1.00 0.00 C ATOM 509 CG PRO A 35 -0.388 11.473 4.629 1.00 0.00 C ATOM 510 CD PRO A 35 -1.875 11.416 4.847 1.00 0.00 C ATOM 0 HA PRO A 35 -1.236 12.346 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.074 9.856 3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.768 11.332 2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.139 10.876 5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.019 12.494 4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.175 10.484 5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -2.218 12.229 5.487 1.00 0.00 H new ATOM 518 N ALA A 36 -2.549 9.404 1.694 1.00 0.00 N ATOM 519 CA ALA A 36 -2.943 8.379 0.728 1.00 0.00 C ATOM 520 C ALA A 36 -3.686 8.997 -0.454 1.00 0.00 C ATOM 521 O ALA A 36 -3.383 8.708 -1.611 1.00 0.00 O ATOM 522 CB ALA A 36 -3.798 7.314 1.400 1.00 0.00 C ATOM 0 H ALA A 36 -2.968 9.297 2.618 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.037 7.907 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.082 6.559 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.230 6.844 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.695 7.775 1.813 1.00 0.00 H new ATOM 528 N ASP A 37 -4.657 9.854 -0.152 1.00 0.00 N ATOM 529 CA ASP A 37 -5.445 10.521 -1.187 1.00 0.00 C ATOM 530 C ASP A 37 -4.599 11.533 -1.965 1.00 0.00 C ATOM 531 O ASP A 37 -4.884 11.825 -3.126 1.00 0.00 O ATOM 532 CB ASP A 37 -6.661 11.217 -0.570 1.00 0.00 C ATOM 533 CG ASP A 37 -7.931 10.402 -0.726 1.00 0.00 C ATOM 534 OD1 ASP A 37 -8.118 9.441 0.048 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.740 10.727 -1.620 1.00 0.00 O ATOM 0 H ASP A 37 -4.918 10.104 0.802 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.789 9.758 -1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.475 11.397 0.489 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.797 12.191 -1.040 1.00 0.00 H new ATOM 540 N PHE A 38 -3.556 12.066 -1.320 1.00 0.00 N ATOM 541 CA PHE A 38 -2.667 13.044 -1.956 1.00 0.00 C ATOM 542 C PHE A 38 -2.087 12.511 -3.269 1.00 0.00 C ATOM 543 O PHE A 38 -1.780 13.287 -4.174 1.00 0.00 O ATOM 544 CB PHE A 38 -1.521 13.413 -1.011 1.00 0.00 C ATOM 545 CG PHE A 38 -1.908 14.365 0.088 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.189 14.364 0.622 1.00 0.00 C ATOM 547 CD2 PHE A 38 -0.982 15.263 0.590 1.00 0.00 C ATOM 548 CE1 PHE A 38 -3.535 15.237 1.634 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.323 16.140 1.601 1.00 0.00 C ATOM 550 CZ PHE A 38 -2.602 16.127 2.124 1.00 0.00 C ATOM 0 H PHE A 38 -3.307 11.837 -0.358 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.263 13.929 -2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.126 12.501 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.714 13.857 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.925 13.671 0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.020 15.278 0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.535 15.223 2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.590 16.836 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.870 16.812 2.915 1.00 0.00 H new ATOM 560 N VAL A 39 -1.938 11.190 -3.369 1.00 0.00 N ATOM 561 CA VAL A 39 -1.393 10.571 -4.574 1.00 0.00 C ATOM 562 C VAL A 39 -2.502 10.244 -5.572 1.00 0.00 C ATOM 563 O VAL A 39 -2.304 10.326 -6.785 1.00 0.00 O ATOM 564 CB VAL A 39 -0.617 9.274 -4.246 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.093 8.745 -5.483 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.376 9.505 -3.113 1.00 0.00 C ATOM 0 H VAL A 39 -2.187 10.531 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.706 11.294 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.337 8.524 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.633 7.832 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.641 8.529 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.797 9.494 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.909 8.578 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.090 10.275 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.159 9.828 -2.220 1.00 0.00 H new ATOM 576 N GLY A 40 -3.671 9.875 -5.053 1.00 0.00 N ATOM 577 CA GLY A 40 -4.795 9.539 -5.907 1.00 0.00 C ATOM 578 C GLY A 40 -5.231 8.089 -5.762 1.00 0.00 C ATOM 579 O GLY A 40 -6.299 7.709 -6.246 1.00 0.00 O ATOM 0 H GLY A 40 -3.859 9.803 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.635 10.192 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.527 9.731 -6.946 1.00 0.00 H new ATOM 583 N LEU A 41 -4.408 7.280 -5.091 1.00 0.00 N ATOM 584 CA LEU A 41 -4.716 5.871 -4.884 1.00 0.00 C ATOM 585 C LEU A 41 -5.963 5.710 -4.016 1.00 0.00 C ATOM 586 O LEU A 41 -6.060 6.290 -2.933 1.00 0.00 O ATOM 587 CB LEU A 41 -3.524 5.153 -4.239 1.00 0.00 C ATOM 588 CG LEU A 41 -3.162 5.613 -2.821 1.00 0.00 C ATOM 589 CD1 LEU A 41 -3.223 4.445 -1.848 1.00 0.00 C ATOM 590 CD2 LEU A 41 -1.781 6.252 -2.804 1.00 0.00 C ATOM 0 H LEU A 41 -3.523 7.581 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.914 5.419 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.738 4.085 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.652 5.287 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.890 6.360 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.963 4.791 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.232 4.032 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.518 3.674 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.541 6.572 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.040 5.527 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.771 7.115 -3.469 1.00 0.00 H new ATOM 602 N ARG A 42 -6.914 4.929 -4.511 1.00 0.00 N ATOM 603 CA ARG A 42 -8.160 4.686 -3.803 1.00 0.00 C ATOM 604 C ARG A 42 -8.271 3.207 -3.417 1.00 0.00 C ATOM 605 O ARG A 42 -7.263 2.556 -3.135 1.00 0.00 O ATOM 606 CB ARG A 42 -9.344 5.117 -4.678 1.00 0.00 C ATOM 607 CG ARG A 42 -9.188 6.504 -5.287 1.00 0.00 C ATOM 608 CD ARG A 42 -9.940 7.560 -4.492 1.00 0.00 C ATOM 609 NE ARG A 42 -11.382 7.311 -4.486 1.00 0.00 N ATOM 610 CZ ARG A 42 -12.045 6.729 -3.480 1.00 0.00 C ATOM 611 NH1 ARG A 42 -11.409 6.357 -2.369 1.00 0.00 N ATOM 612 NH2 ARG A 42 -13.353 6.519 -3.585 1.00 0.00 N ATOM 0 H ARG A 42 -6.843 4.450 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.175 5.275 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.473 4.391 -5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.254 5.094 -4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.131 6.765 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.554 6.493 -6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.570 7.576 -3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.743 8.544 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.918 7.601 -5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.405 6.515 -2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.926 5.914 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.849 6.801 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.861 6.076 -2.820 1.00 0.00 H new ATOM 626 N ALA A 43 -9.494 2.681 -3.414 1.00 0.00 N ATOM 627 CA ALA A 43 -9.732 1.284 -3.072 1.00 0.00 C ATOM 628 C ALA A 43 -9.794 0.420 -4.326 1.00 0.00 C ATOM 629 O ALA A 43 -10.030 0.919 -5.428 1.00 0.00 O ATOM 630 CB ALA A 43 -11.016 1.145 -2.270 1.00 0.00 C ATOM 0 H ALA A 43 -10.338 3.205 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.899 0.938 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.179 0.096 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.936 1.726 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.855 1.513 -2.860 1.00 0.00 H new ATOM 636 N GLY A 44 -9.577 -0.879 -4.150 1.00 0.00 N ATOM 637 CA GLY A 44 -9.608 -1.801 -5.275 1.00 0.00 C ATOM 638 C GLY A 44 -8.218 -2.143 -5.788 1.00 0.00 C ATOM 639 O GLY A 44 -7.980 -3.264 -6.243 1.00 0.00 O ATOM 0 H GLY A 44 -9.380 -1.312 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.116 -2.717 -4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.192 -1.362 -6.084 1.00 0.00 H new ATOM 643 N ASP A 45 -7.300 -1.176 -5.712 1.00 0.00 N ATOM 644 CA ASP A 45 -5.926 -1.378 -6.169 1.00 0.00 C ATOM 645 C ASP A 45 -5.244 -2.489 -5.376 1.00 0.00 C ATOM 646 O ASP A 45 -5.084 -2.388 -4.159 1.00 0.00 O ATOM 647 CB ASP A 45 -5.122 -0.081 -6.035 1.00 0.00 C ATOM 648 CG ASP A 45 -5.230 0.809 -7.258 1.00 0.00 C ATOM 649 OD1 ASP A 45 -5.158 0.282 -8.391 1.00 0.00 O ATOM 650 OD2 ASP A 45 -5.385 2.036 -7.084 1.00 0.00 O ATOM 0 H ASP A 45 -7.485 -0.245 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.963 -1.671 -7.218 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.471 0.468 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.074 -0.325 -5.861 1.00 0.00 H new ATOM 655 N GLN A 46 -4.842 -3.546 -6.077 1.00 0.00 N ATOM 656 CA GLN A 46 -4.176 -4.673 -5.440 1.00 0.00 C ATOM 657 C GLN A 46 -2.697 -4.371 -5.221 1.00 0.00 C ATOM 658 O GLN A 46 -2.000 -3.922 -6.134 1.00 0.00 O ATOM 659 CB GLN A 46 -4.331 -5.939 -6.287 1.00 0.00 C ATOM 660 CG GLN A 46 -3.771 -7.187 -5.621 1.00 0.00 C ATOM 661 CD GLN A 46 -4.752 -8.343 -5.626 1.00 0.00 C ATOM 662 OE1 GLN A 46 -4.755 -9.160 -6.546 1.00 0.00 O ATOM 663 NE2 GLN A 46 -5.590 -8.414 -4.599 1.00 0.00 N ATOM 0 H GLN A 46 -4.967 -3.643 -7.085 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.646 -4.839 -4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.388 -6.095 -6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.829 -5.791 -7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.858 -7.489 -6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.497 -6.953 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.550 -7.713 -3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.274 -9.169 -4.550 1.00 0.00 H new ATOM 672 N ILE A 47 -2.226 -4.625 -4.009 1.00 0.00 N ATOM 673 CA ILE A 47 -0.830 -4.391 -3.660 1.00 0.00 C ATOM 674 C ILE A 47 0.016 -5.612 -3.997 1.00 0.00 C ATOM 675 O ILE A 47 -0.272 -6.722 -3.545 1.00 0.00 O ATOM 676 CB ILE A 47 -0.661 -4.060 -2.161 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.793 -3.151 -1.668 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.691 -3.408 -1.919 1.00 0.00 C ATOM 679 CD1 ILE A 47 -1.931 -1.864 -2.454 1.00 0.00 C ATOM 0 H ILE A 47 -2.793 -4.995 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.495 -3.534 -4.244 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.709 -4.991 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.734 -3.699 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.621 -2.908 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.800 -3.179 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.484 -4.090 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.760 -2.487 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.752 -1.275 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.005 -1.294 -2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.135 -2.096 -3.499 1.00 0.00 H new ATOM 691 N LEU A 48 1.059 -5.406 -4.797 1.00 0.00 N ATOM 692 CA LEU A 48 1.942 -6.497 -5.196 1.00 0.00 C ATOM 693 C LEU A 48 3.278 -6.429 -4.459 1.00 0.00 C ATOM 694 O LEU A 48 3.762 -7.438 -3.945 1.00 0.00 O ATOM 695 CB LEU A 48 2.170 -6.474 -6.712 1.00 0.00 C ATOM 696 CG LEU A 48 0.961 -6.886 -7.563 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.427 -8.244 -7.120 1.00 0.00 C ATOM 698 CD2 LEU A 48 -0.135 -5.832 -7.488 1.00 0.00 C ATOM 0 H LEU A 48 1.313 -4.496 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 48 1.456 -7.435 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.472 -5.468 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.002 -7.137 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 48 1.288 -6.967 -8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.430 -8.517 -7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.208 -8.996 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.120 -8.191 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.982 -6.144 -8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.457 -5.715 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.248 -4.881 -7.859 1.00 0.00 H new ATOM 710 N ALA A 49 3.867 -5.237 -4.410 1.00 0.00 N ATOM 711 CA ALA A 49 5.149 -5.035 -3.735 1.00 0.00 C ATOM 712 C ALA A 49 5.025 -4.009 -2.609 1.00 0.00 C ATOM 713 O ALA A 49 4.360 -2.986 -2.762 1.00 0.00 O ATOM 714 CB ALA A 49 6.209 -4.593 -4.735 1.00 0.00 C ATOM 0 H ALA A 49 3.477 -4.394 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 49 5.451 -5.985 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.158 -4.446 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.328 -5.359 -5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.901 -3.657 -5.201 1.00 0.00 H new ATOM 720 N VAL A 50 5.682 -4.287 -1.483 1.00 0.00 N ATOM 721 CA VAL A 50 5.659 -3.384 -0.331 1.00 0.00 C ATOM 722 C VAL A 50 7.030 -3.325 0.327 1.00 0.00 C ATOM 723 O VAL A 50 7.475 -4.298 0.934 1.00 0.00 O ATOM 724 CB VAL A 50 4.614 -3.809 0.725 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.395 -2.693 1.738 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.305 -4.201 0.059 1.00 0.00 C ATOM 0 H VAL A 50 6.237 -5.131 -1.343 1.00 0.00 H new ATOM 0 HA VAL A 50 5.382 -2.400 -0.710 1.00 0.00 H new ATOM 0 HB VAL A 50 4.996 -4.681 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.656 -3.010 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.335 -2.469 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.036 -1.801 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.584 -4.497 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.913 -3.352 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.478 -5.036 -0.620 1.00 0.00 H new ATOM 736 N ASN A 51 7.705 -2.186 0.179 1.00 0.00 N ATOM 737 CA ASN A 51 9.041 -2.001 0.737 1.00 0.00 C ATOM 738 C ASN A 51 10.064 -2.735 -0.129 1.00 0.00 C ATOM 739 O ASN A 51 11.057 -3.265 0.369 1.00 0.00 O ATOM 740 CB ASN A 51 9.104 -2.494 2.190 1.00 0.00 C ATOM 741 CG ASN A 51 9.802 -1.509 3.113 1.00 0.00 C ATOM 742 OD1 ASN A 51 9.344 -1.256 4.225 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.916 -0.947 2.656 1.00 0.00 N ATOM 0 H ASN A 51 7.346 -1.375 -0.325 1.00 0.00 H new ATOM 0 HA ASN A 51 9.276 -0.937 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.092 -2.672 2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.627 -3.450 2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.424 -0.278 3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.263 -1.184 1.727 1.00 0.00 H new ATOM 750 N GLU A 52 9.791 -2.754 -1.438 1.00 0.00 N ATOM 751 CA GLU A 52 10.645 -3.407 -2.432 1.00 0.00 C ATOM 752 C GLU A 52 10.504 -4.938 -2.424 1.00 0.00 C ATOM 753 O GLU A 52 11.109 -5.618 -3.255 1.00 0.00 O ATOM 754 CB GLU A 52 12.117 -2.979 -2.262 1.00 0.00 C ATOM 755 CG GLU A 52 13.007 -3.972 -1.515 1.00 0.00 C ATOM 756 CD GLU A 52 14.439 -3.967 -2.023 1.00 0.00 C ATOM 757 OE1 GLU A 52 15.052 -2.878 -2.062 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.946 -5.051 -2.380 1.00 0.00 O ATOM 0 H GLU A 52 8.964 -2.312 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 52 10.301 -3.072 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.544 -2.807 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.142 -2.026 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.001 -3.731 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.592 -4.975 -1.617 1.00 0.00 H new ATOM 765 N ILE A 53 9.705 -5.483 -1.500 1.00 0.00 N ATOM 766 CA ILE A 53 9.507 -6.929 -1.430 1.00 0.00 C ATOM 767 C ILE A 53 8.063 -7.309 -1.761 1.00 0.00 C ATOM 768 O ILE A 53 7.121 -6.871 -1.095 1.00 0.00 O ATOM 769 CB ILE A 53 9.893 -7.501 -0.043 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.019 -6.904 1.062 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.367 -7.245 0.243 1.00 0.00 C ATOM 772 CD1 ILE A 53 8.228 -7.940 1.830 1.00 0.00 C ATOM 0 H ILE A 53 9.192 -4.949 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 53 10.169 -7.369 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 53 9.722 -8.577 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.652 -6.353 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.329 -6.185 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.624 -7.652 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.975 -7.727 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.558 -6.172 0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.631 -7.447 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.569 -8.475 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.913 -8.645 2.301 1.00 0.00 H new ATOM 784 N ASN A 54 7.899 -8.123 -2.802 1.00 0.00 N ATOM 785 CA ASN A 54 6.581 -8.569 -3.241 1.00 0.00 C ATOM 786 C ASN A 54 5.913 -9.431 -2.178 1.00 0.00 C ATOM 787 O ASN A 54 6.522 -10.354 -1.636 1.00 0.00 O ATOM 788 CB ASN A 54 6.691 -9.350 -4.553 1.00 0.00 C ATOM 789 CG ASN A 54 6.435 -8.480 -5.769 1.00 0.00 C ATOM 790 OD1 ASN A 54 7.268 -7.650 -6.136 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.281 -8.661 -6.401 1.00 0.00 N ATOM 0 H ASN A 54 8.670 -8.489 -3.360 1.00 0.00 H new ATOM 0 HA ASN A 54 5.965 -7.685 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.685 -9.790 -4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.977 -10.174 -4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.057 -8.101 -7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.619 -9.360 -6.064 1.00 0.00 H new ATOM 798 N VAL A 55 4.657 -9.117 -1.887 1.00 0.00 N ATOM 799 CA VAL A 55 3.891 -9.851 -0.887 1.00 0.00 C ATOM 800 C VAL A 55 2.515 -10.252 -1.423 1.00 0.00 C ATOM 801 O VAL A 55 1.482 -9.926 -0.836 1.00 0.00 O ATOM 802 CB VAL A 55 3.725 -9.022 0.406 1.00 0.00 C ATOM 803 CG1 VAL A 55 5.030 -8.990 1.189 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.251 -7.609 0.089 1.00 0.00 C ATOM 0 H VAL A 55 4.145 -8.355 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 55 4.451 -10.757 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 55 2.965 -9.501 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.895 -8.402 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.320 -10.007 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.811 -8.539 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.142 -7.045 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.981 -7.115 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.290 -7.654 -0.424 1.00 0.00 H new ATOM 814 N LYS A 56 2.514 -10.965 -2.549 1.00 0.00 N ATOM 815 CA LYS A 56 1.270 -11.416 -3.176 1.00 0.00 C ATOM 816 C LYS A 56 0.470 -12.313 -2.233 1.00 0.00 C ATOM 817 O LYS A 56 -0.755 -12.207 -2.158 1.00 0.00 O ATOM 818 CB LYS A 56 1.561 -12.163 -4.482 1.00 0.00 C ATOM 819 CG LYS A 56 2.264 -11.314 -5.535 1.00 0.00 C ATOM 820 CD LYS A 56 1.971 -11.813 -6.942 1.00 0.00 C ATOM 821 CE LYS A 56 3.117 -12.653 -7.488 1.00 0.00 C ATOM 822 NZ LYS A 56 2.771 -13.288 -8.791 1.00 0.00 N ATOM 0 H LYS A 56 3.360 -11.243 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 56 0.674 -10.531 -3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.177 -13.034 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.622 -12.533 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.942 -10.277 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.340 -11.331 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.056 -12.405 -6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.796 -10.963 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.999 -12.025 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.376 -13.426 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.578 -13.851 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.945 -13.907 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.548 -12.550 -9.489 1.00 0.00 H new ATOM 836 N LYS A 57 1.169 -13.190 -1.514 1.00 0.00 N ATOM 837 CA LYS A 57 0.521 -14.099 -0.569 1.00 0.00 C ATOM 838 C LYS A 57 1.303 -14.174 0.748 1.00 0.00 C ATOM 839 O LYS A 57 1.302 -15.208 1.421 1.00 0.00 O ATOM 840 CB LYS A 57 0.390 -15.499 -1.178 1.00 0.00 C ATOM 841 CG LYS A 57 -0.316 -15.526 -2.526 1.00 0.00 C ATOM 842 CD LYS A 57 -0.968 -16.874 -2.786 1.00 0.00 C ATOM 843 CE LYS A 57 -2.410 -16.720 -3.250 1.00 0.00 C ATOM 844 NZ LYS A 57 -2.532 -16.771 -4.736 1.00 0.00 N ATOM 0 H LYS A 57 2.183 -13.291 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.474 -13.708 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.385 -15.928 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.154 -16.137 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.073 -14.742 -2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.401 -15.309 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.398 -17.415 -3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.940 -17.474 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.018 -17.510 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.808 -15.772 -2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.530 -16.662 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.973 -16.001 -5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.177 -17.685 -5.082 1.00 0.00 H new ATOM 858 N ALA A 58 1.966 -13.074 1.112 1.00 0.00 N ATOM 859 CA ALA A 58 2.747 -13.016 2.343 1.00 0.00 C ATOM 860 C ALA A 58 1.843 -12.877 3.567 1.00 0.00 C ATOM 861 O ALA A 58 0.623 -13.016 3.466 1.00 0.00 O ATOM 862 CB ALA A 58 3.741 -11.865 2.280 1.00 0.00 C ATOM 0 H ALA A 58 1.976 -12.211 0.568 1.00 0.00 H new ATOM 0 HA ALA A 58 3.297 -13.952 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.318 -11.832 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.415 -12.012 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.202 -10.926 2.154 1.00 0.00 H new ATOM 868 N SER A 59 2.447 -12.592 4.722 1.00 0.00 N ATOM 869 CA SER A 59 1.688 -12.429 5.958 1.00 0.00 C ATOM 870 C SER A 59 1.313 -10.976 6.166 1.00 0.00 C ATOM 871 O SER A 59 2.127 -10.070 5.986 1.00 0.00 O ATOM 872 CB SER A 59 2.475 -12.949 7.164 1.00 0.00 C ATOM 873 OG SER A 59 3.869 -12.960 6.907 1.00 0.00 O ATOM 0 H SER A 59 3.454 -12.470 4.825 1.00 0.00 H new ATOM 0 HA SER A 59 0.775 -13.018 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.269 -12.323 8.032 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.141 -13.957 7.411 1.00 0.00 H new ATOM 0 HG SER A 59 4.344 -13.295 7.696 1.00 0.00 H new ATOM 879 N HIS A 60 0.061 -10.774 6.539 1.00 0.00 N ATOM 880 CA HIS A 60 -0.477 -9.445 6.775 1.00 0.00 C ATOM 881 C HIS A 60 0.359 -8.662 7.781 1.00 0.00 C ATOM 882 O HIS A 60 0.656 -7.488 7.567 1.00 0.00 O ATOM 883 CB HIS A 60 -1.916 -9.565 7.261 1.00 0.00 C ATOM 884 CG HIS A 60 -2.794 -8.455 6.786 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.273 -8.373 5.496 1.00 0.00 N ATOM 886 CD2 HIS A 60 -3.276 -7.370 7.436 1.00 0.00 C ATOM 887 CE1 HIS A 60 -4.013 -7.288 5.373 1.00 0.00 C ATOM 888 NE2 HIS A 60 -4.030 -6.661 6.536 1.00 0.00 N ATOM 0 H HIS A 60 -0.611 -11.527 6.687 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.447 -8.893 5.836 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.328 -10.515 6.923 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.924 -9.584 8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.100 -7.111 8.470 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.519 -6.967 4.475 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.524 -5.791 6.733 1.00 0.00 H new ATOM 897 N GLU A 61 0.740 -9.319 8.871 1.00 0.00 N ATOM 898 CA GLU A 61 1.548 -8.675 9.906 1.00 0.00 C ATOM 899 C GLU A 61 2.911 -8.269 9.355 1.00 0.00 C ATOM 900 O GLU A 61 3.435 -7.207 9.697 1.00 0.00 O ATOM 901 CB GLU A 61 1.722 -9.604 11.107 1.00 0.00 C ATOM 902 CG GLU A 61 0.431 -9.861 11.866 1.00 0.00 C ATOM 903 CD GLU A 61 0.668 -10.299 13.300 1.00 0.00 C ATOM 904 OE1 GLU A 61 1.365 -11.316 13.504 1.00 0.00 O ATOM 905 OE2 GLU A 61 0.155 -9.626 14.217 1.00 0.00 O ATOM 0 H GLU A 61 0.505 -10.293 9.063 1.00 0.00 H new ATOM 0 HA GLU A 61 1.025 -7.776 10.232 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.128 -10.556 10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.455 -9.171 11.788 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.173 -8.954 11.863 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.144 -10.628 11.347 1.00 0.00 H new ATOM 912 N ASP A 62 3.475 -9.116 8.496 1.00 0.00 N ATOM 913 CA ASP A 62 4.771 -8.840 7.890 1.00 0.00 C ATOM 914 C ASP A 62 4.676 -7.651 6.944 1.00 0.00 C ATOM 915 O ASP A 62 5.544 -6.779 6.939 1.00 0.00 O ATOM 916 CB ASP A 62 5.280 -10.075 7.137 1.00 0.00 C ATOM 917 CG ASP A 62 6.040 -11.035 8.031 1.00 0.00 C ATOM 918 OD1 ASP A 62 5.676 -11.160 9.221 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.001 -11.664 7.542 1.00 0.00 O ATOM 0 H ASP A 62 3.053 -9.998 8.206 1.00 0.00 H new ATOM 0 HA ASP A 62 5.477 -8.596 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.434 -10.596 6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.928 -9.756 6.320 1.00 0.00 H new ATOM 924 N VAL A 63 3.608 -7.619 6.153 1.00 0.00 N ATOM 925 CA VAL A 63 3.391 -6.531 5.205 1.00 0.00 C ATOM 926 C VAL A 63 3.167 -5.210 5.939 1.00 0.00 C ATOM 927 O VAL A 63 3.714 -4.178 5.552 1.00 0.00 O ATOM 928 CB VAL A 63 2.194 -6.817 4.273 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.052 -5.717 3.228 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.351 -8.177 3.606 1.00 0.00 C ATOM 0 H VAL A 63 2.880 -8.333 6.149 1.00 0.00 H new ATOM 0 HA VAL A 63 4.290 -6.454 4.593 1.00 0.00 H new ATOM 0 HB VAL A 63 1.285 -6.833 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.203 -5.937 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.891 -4.761 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.961 -5.665 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.498 -8.362 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.269 -8.190 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.398 -8.953 4.370 1.00 0.00 H new ATOM 940 N VAL A 64 2.383 -5.256 7.016 1.00 0.00 N ATOM 941 CA VAL A 64 2.121 -4.071 7.817 1.00 0.00 C ATOM 942 C VAL A 64 3.405 -3.608 8.486 1.00 0.00 C ATOM 943 O VAL A 64 3.674 -2.410 8.584 1.00 0.00 O ATOM 944 CB VAL A 64 1.042 -4.321 8.893 1.00 0.00 C ATOM 945 CG1 VAL A 64 0.738 -3.042 9.664 1.00 0.00 C ATOM 946 CG2 VAL A 64 -0.229 -4.880 8.262 1.00 0.00 C ATOM 0 H VAL A 64 1.921 -6.102 7.350 1.00 0.00 H new ATOM 0 HA VAL A 64 1.747 -3.299 7.144 1.00 0.00 H new ATOM 0 HB VAL A 64 1.430 -5.058 9.596 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.025 -3.243 10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.645 -2.688 10.153 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.376 -2.279 8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.976 -5.049 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.617 -4.168 7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.004 -5.823 7.764 1.00 0.00 H new ATOM 956 N LYS A 65 4.199 -4.581 8.939 1.00 0.00 N ATOM 957 CA LYS A 65 5.463 -4.289 9.599 1.00 0.00 C ATOM 958 C LYS A 65 6.374 -3.468 8.691 1.00 0.00 C ATOM 959 O LYS A 65 7.054 -2.550 9.150 1.00 0.00 O ATOM 960 CB LYS A 65 6.165 -5.586 10.015 1.00 0.00 C ATOM 961 CG LYS A 65 5.868 -6.012 11.441 1.00 0.00 C ATOM 962 CD LYS A 65 6.460 -7.379 11.748 1.00 0.00 C ATOM 963 CE LYS A 65 5.664 -8.105 12.820 1.00 0.00 C ATOM 964 NZ LYS A 65 5.558 -9.565 12.546 1.00 0.00 N ATOM 0 H LYS A 65 3.985 -5.575 8.859 1.00 0.00 H new ATOM 0 HA LYS A 65 5.248 -3.703 10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.864 -6.385 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.241 -5.459 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.273 -5.275 12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.790 -6.038 11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.480 -7.980 10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.493 -7.263 12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.138 -7.952 13.789 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.664 -7.675 12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.008 -10.021 13.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.082 -9.713 11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.510 -9.982 12.512 1.00 0.00 H new ATOM 978 N LEU A 66 6.374 -3.798 7.400 1.00 0.00 N ATOM 979 CA LEU A 66 7.193 -3.081 6.428 1.00 0.00 C ATOM 980 C LEU A 66 6.708 -1.645 6.267 1.00 0.00 C ATOM 981 O LEU A 66 7.508 -0.709 6.232 1.00 0.00 O ATOM 982 CB LEU A 66 7.172 -3.788 5.070 1.00 0.00 C ATOM 983 CG LEU A 66 7.648 -5.241 5.086 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.028 -6.014 3.932 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.168 -5.304 5.021 1.00 0.00 C ATOM 0 H LEU A 66 5.817 -4.556 7.005 1.00 0.00 H new ATOM 0 HA LEU A 66 8.217 -3.068 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.155 -3.760 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.796 -3.225 4.376 1.00 0.00 H new ATOM 0 HG LEU A 66 7.327 -5.702 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.376 -7.047 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.942 -5.995 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.321 -5.555 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.490 -6.345 5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.513 -4.828 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.591 -4.783 5.880 1.00 0.00 H new ATOM 997 N ILE A 67 5.390 -1.478 6.181 1.00 0.00 N ATOM 998 CA ILE A 67 4.794 -0.152 6.036 1.00 0.00 C ATOM 999 C ILE A 67 5.093 0.709 7.260 1.00 0.00 C ATOM 1000 O ILE A 67 5.361 1.904 7.136 1.00 0.00 O ATOM 1001 CB ILE A 67 3.267 -0.225 5.819 1.00 0.00 C ATOM 1002 CG1 ILE A 67 2.939 -1.158 4.648 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.695 1.165 5.574 1.00 0.00 C ATOM 1004 CD1 ILE A 67 1.473 -1.521 4.548 1.00 0.00 C ATOM 0 H ILE A 67 4.716 -2.243 6.209 1.00 0.00 H new ATOM 0 HA ILE A 67 5.242 0.302 5.152 1.00 0.00 H new ATOM 0 HB ILE A 67 2.808 -0.629 6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.250 -0.682 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.524 -2.072 4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.618 1.094 5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.900 1.800 6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.158 1.598 4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.319 -2.183 3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.160 -2.027 5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.882 -0.615 4.414 1.00 0.00 H new ATOM 1016 N GLY A 68 5.073 0.086 8.438 1.00 0.00 N ATOM 1017 CA GLY A 68 5.372 0.806 9.666 1.00 0.00 C ATOM 1018 C GLY A 68 6.868 0.889 9.938 1.00 0.00 C ATOM 1019 O GLY A 68 7.286 1.270 11.033 1.00 0.00 O ATOM 0 H GLY A 68 4.855 -0.903 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.960 1.813 9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.880 0.312 10.503 1.00 0.00 H new ATOM 1023 N LYS A 69 7.677 0.534 8.934 1.00 0.00 N ATOM 1024 CA LYS A 69 9.131 0.565 9.053 1.00 0.00 C ATOM 1025 C LYS A 69 9.736 1.680 8.191 1.00 0.00 C ATOM 1026 O LYS A 69 10.896 2.052 8.377 1.00 0.00 O ATOM 1027 CB LYS A 69 9.709 -0.790 8.641 1.00 0.00 C ATOM 1028 CG LYS A 69 11.217 -0.899 8.822 1.00 0.00 C ATOM 1029 CD LYS A 69 11.605 -2.181 9.544 1.00 0.00 C ATOM 1030 CE LYS A 69 12.064 -3.251 8.567 1.00 0.00 C ATOM 1031 NZ LYS A 69 11.117 -4.401 8.513 1.00 0.00 N ATOM 0 H LYS A 69 7.341 0.220 8.024 1.00 0.00 H new ATOM 0 HA LYS A 69 9.386 0.770 10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.225 -1.573 9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.464 -0.975 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.704 -0.868 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.579 -0.040 9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.402 -1.972 10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.754 -2.550 10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.163 -2.816 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.052 -3.608 8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.467 -5.108 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.042 -4.833 9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.180 -4.065 8.210 1.00 0.00 H new ATOM 1045 N CYS A 70 8.945 2.201 7.246 1.00 0.00 N ATOM 1046 CA CYS A 70 9.386 3.265 6.352 1.00 0.00 C ATOM 1047 C CYS A 70 10.143 4.358 7.108 1.00 0.00 C ATOM 1048 O CYS A 70 11.248 4.741 6.721 1.00 0.00 O ATOM 1049 CB CYS A 70 8.177 3.854 5.624 1.00 0.00 C ATOM 1050 SG CYS A 70 6.869 4.471 6.713 1.00 0.00 S ATOM 0 H CYS A 70 7.986 1.895 7.084 1.00 0.00 H new ATOM 0 HA CYS A 70 10.076 2.838 5.624 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.516 4.670 4.986 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.757 3.091 4.969 1.00 0.00 H new ATOM 0 HG CYS A 70 6.122 3.480 7.099 1.00 0.00 H new ATOM 1056 N SER A 71 9.537 4.847 8.186 1.00 0.00 N ATOM 1057 CA SER A 71 10.130 5.893 9.022 1.00 0.00 C ATOM 1058 C SER A 71 10.312 7.193 8.244 1.00 0.00 C ATOM 1059 O SER A 71 11.250 7.955 8.493 1.00 0.00 O ATOM 1060 CB SER A 71 11.471 5.417 9.602 1.00 0.00 C ATOM 1061 OG SER A 71 12.550 5.680 8.719 1.00 0.00 O ATOM 0 H SER A 71 8.622 4.531 8.507 1.00 0.00 H new ATOM 0 HA SER A 71 9.444 6.094 9.844 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.652 5.914 10.555 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.420 4.347 9.805 1.00 0.00 H new ATOM 0 HG SER A 71 12.422 5.178 7.887 1.00 0.00 H new ATOM 1067 N GLY A 72 9.410 7.441 7.304 1.00 0.00 N ATOM 1068 CA GLY A 72 9.486 8.649 6.503 1.00 0.00 C ATOM 1069 C GLY A 72 8.786 8.517 5.164 1.00 0.00 C ATOM 1070 O GLY A 72 8.177 9.475 4.684 1.00 0.00 O ATOM 0 H GLY A 72 8.626 6.828 7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.043 9.475 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.533 8.902 6.336 1.00 0.00 H new ATOM 1074 N VAL A 73 8.873 7.333 4.554 1.00 0.00 N ATOM 1075 CA VAL A 73 8.242 7.102 3.260 1.00 0.00 C ATOM 1076 C VAL A 73 8.315 5.634 2.844 1.00 0.00 C ATOM 1077 O VAL A 73 9.353 4.985 2.986 1.00 0.00 O ATOM 1078 CB VAL A 73 8.880 7.977 2.161 1.00 0.00 C ATOM 1079 CG1 VAL A 73 10.369 7.693 2.022 1.00 0.00 C ATOM 1080 CG2 VAL A 73 8.165 7.782 0.832 1.00 0.00 C ATOM 0 H VAL A 73 9.371 6.528 4.934 1.00 0.00 H new ATOM 0 HA VAL A 73 7.194 7.378 3.374 1.00 0.00 H new ATOM 0 HB VAL A 73 8.768 9.019 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.789 8.326 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.869 7.904 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.517 6.645 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.632 8.409 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.233 6.736 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.117 8.061 0.938 1.00 0.00 H new ATOM 1090 N LEU A 74 7.201 5.130 2.327 1.00 0.00 N ATOM 1091 CA LEU A 74 7.111 3.746 1.880 1.00 0.00 C ATOM 1092 C LEU A 74 6.904 3.676 0.370 1.00 0.00 C ATOM 1093 O LEU A 74 6.226 4.523 -0.214 1.00 0.00 O ATOM 1094 CB LEU A 74 5.963 3.027 2.591 1.00 0.00 C ATOM 1095 CG LEU A 74 5.826 1.539 2.257 1.00 0.00 C ATOM 1096 CD1 LEU A 74 6.745 0.706 3.137 1.00 0.00 C ATOM 1097 CD2 LEU A 74 4.380 1.091 2.405 1.00 0.00 C ATOM 0 H LEU A 74 6.341 5.665 2.206 1.00 0.00 H new ATOM 0 HA LEU A 74 8.050 3.252 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.100 3.131 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.029 3.528 2.339 1.00 0.00 H new ATOM 0 HG LEU A 74 6.124 1.389 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.633 -0.348 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.779 1.010 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.483 0.858 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.301 0.031 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.051 1.255 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.750 1.666 1.726 1.00 0.00 H new ATOM 1109 N HIS A 75 7.492 2.655 -0.248 1.00 0.00 N ATOM 1110 CA HIS A 75 7.378 2.454 -1.689 1.00 0.00 C ATOM 1111 C HIS A 75 6.716 1.110 -1.982 1.00 0.00 C ATOM 1112 O HIS A 75 7.327 0.054 -1.795 1.00 0.00 O ATOM 1113 CB HIS A 75 8.761 2.521 -2.347 1.00 0.00 C ATOM 1114 CG HIS A 75 9.584 3.693 -1.902 1.00 0.00 C ATOM 1115 ND1 HIS A 75 10.945 3.622 -1.687 1.00 0.00 N ATOM 1116 CD2 HIS A 75 9.229 4.972 -1.621 1.00 0.00 C ATOM 1117 CE1 HIS A 75 11.391 4.803 -1.294 1.00 0.00 C ATOM 1118 NE2 HIS A 75 10.370 5.639 -1.247 1.00 0.00 N ATOM 0 H HIS A 75 8.055 1.951 0.230 1.00 0.00 H new ATOM 0 HA HIS A 75 6.757 3.248 -2.105 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.304 1.602 -2.126 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.637 2.565 -3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.234 5.388 -1.680 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.416 5.043 -1.053 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.420 6.621 -0.977 1.00 0.00 H new ATOM 1127 N MET A 76 5.462 1.154 -2.429 1.00 0.00 N ATOM 1128 CA MET A 76 4.714 -0.062 -2.734 1.00 0.00 C ATOM 1129 C MET A 76 4.226 -0.063 -4.181 1.00 0.00 C ATOM 1130 O MET A 76 3.705 0.938 -4.676 1.00 0.00 O ATOM 1131 CB MET A 76 3.525 -0.221 -1.778 1.00 0.00 C ATOM 1132 CG MET A 76 2.724 1.056 -1.567 1.00 0.00 C ATOM 1133 SD MET A 76 1.059 0.736 -0.951 1.00 0.00 S ATOM 1134 CE MET A 76 1.157 1.456 0.686 1.00 0.00 C ATOM 0 H MET A 76 4.944 2.018 -2.588 1.00 0.00 H new ATOM 0 HA MET A 76 5.389 -0.907 -2.600 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.861 -0.994 -2.166 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.892 -0.571 -0.813 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.251 1.699 -0.862 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.661 1.601 -2.509 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.152 1.661 1.054 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.655 0.760 1.361 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.724 2.386 0.641 1.00 0.00 H new ATOM 1144 N VAL A 77 4.397 -1.201 -4.849 1.00 0.00 N ATOM 1145 CA VAL A 77 3.976 -1.355 -6.237 1.00 0.00 C ATOM 1146 C VAL A 77 2.577 -1.964 -6.311 1.00 0.00 C ATOM 1147 O VAL A 77 2.366 -3.109 -5.908 1.00 0.00 O ATOM 1148 CB VAL A 77 4.965 -2.240 -7.028 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.578 -2.302 -8.496 1.00 0.00 C ATOM 1150 CG2 VAL A 77 6.391 -1.730 -6.869 1.00 0.00 C ATOM 0 H VAL A 77 4.827 -2.034 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 77 3.961 -0.362 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 77 4.917 -3.250 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.288 -2.930 -9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.577 -2.723 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.591 -1.297 -8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.071 -2.368 -7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.456 -0.709 -7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.668 -1.748 -5.815 1.00 0.00 H new ATOM 1160 N ILE A 78 1.627 -1.185 -6.825 1.00 0.00 N ATOM 1161 CA ILE A 78 0.244 -1.633 -6.950 1.00 0.00 C ATOM 1162 C ILE A 78 -0.122 -1.926 -8.405 1.00 0.00 C ATOM 1163 O ILE A 78 0.606 -1.556 -9.328 1.00 0.00 O ATOM 1164 CB ILE A 78 -0.741 -0.585 -6.389 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -0.628 0.734 -7.165 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -0.487 -0.356 -4.906 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -1.953 1.438 -7.358 1.00 0.00 C ATOM 0 H ILE A 78 1.792 -0.237 -7.163 1.00 0.00 H new ATOM 0 HA ILE A 78 0.163 -2.551 -6.369 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.755 -0.967 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.054 1.400 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.186 0.535 -8.141 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.190 0.386 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.621 -1.293 -4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.532 0.003 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.796 2.362 -7.914 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.631 0.791 -7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.387 1.669 -6.385 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.261 -2.589 -8.597 1.00 0.00 N ATOM 1180 CA ALA A 79 -1.736 -2.931 -9.933 1.00 0.00 C ATOM 1181 C ALA A 79 -3.239 -2.696 -10.059 1.00 0.00 C ATOM 1182 O ALA A 79 -4.020 -3.181 -9.238 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.401 -4.378 -10.260 1.00 0.00 C ATOM 0 H ALA A 79 -1.872 -2.900 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.230 -2.281 -10.647 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.762 -4.618 -11.260 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.321 -4.519 -10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.880 -5.035 -9.534 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.634 -1.955 -11.092 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.045 -1.660 -11.328 1.00 0.00 C ATOM 1191 C GLU A 80 -5.765 -2.893 -11.872 1.00 0.00 C ATOM 1192 O GLU A 80 -5.534 -3.307 -13.009 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.185 -0.489 -12.307 1.00 0.00 C ATOM 1194 CG GLU A 80 -6.226 0.538 -11.889 1.00 0.00 C ATOM 1195 CD GLU A 80 -7.575 0.294 -12.534 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -8.360 -0.507 -11.982 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -7.846 0.899 -13.592 1.00 0.00 O ATOM 0 H GLU A 80 -2.998 -1.549 -11.778 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.504 -1.381 -10.380 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.219 0.006 -12.407 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.447 -0.879 -13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.337 0.518 -10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.875 1.535 -12.155 1.00 0.00 H new