USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 630 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 58 ASN : amide:sc= -10.3! C(o=-13!,f=-21!) USER MOD Set 1.2: A 60 GLN : amide:sc= -2.89! C(o=-13!,f=-16!) USER MOD Single : A 9 MET CE :methyl 177:sc= -0.199 (180deg=-0.215) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= -1.62 (180deg=-2.71!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.4!) USER MOD Single : A 23 THR OG1 : rot -16:sc= 0.552 USER MOD Single : A 38 HIS : no HD1:sc= -1.85! K(o=-1.9!,f=-1.2) USER MOD Single : A 41 MET CE :methyl -167:sc= -3.73! (180deg=-4.47!) USER MOD Single : A 44 GLN : amide:sc= -0.0738 X(o=-0.074,f=-0.074) USER MOD Single : A 45 GLN : amide:sc= -0.0683 K(o=-0.068,f=-1.1) USER MOD Single : A 49 HIS : no HE2:sc= -0.0429 K(o=-0.043,f=-0.66) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0461 K(o=-0.046,f=-3.1!) USER MOD Single : A 75 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 77 SER OG : rot -170:sc= -0.0281 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.408 -10.062 -9.653 1.00 0.00 N ATOM 60 CA GLY A 7 -1.049 -9.070 -8.810 1.00 0.00 C ATOM 61 C GLY A 7 -0.994 -7.679 -9.409 1.00 0.00 C ATOM 62 O GLY A 7 -0.992 -7.521 -10.630 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.089 -9.352 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.566 -9.061 -7.833 1.00 0.00 H new ATOM 66 N ARG A 8 -0.952 -6.667 -8.549 1.00 0.00 N ATOM 67 CA ARG A 8 -0.901 -5.281 -9.000 1.00 0.00 C ATOM 68 C ARG A 8 0.454 -4.656 -8.683 1.00 0.00 C ATOM 69 O ARG A 8 0.710 -4.246 -7.551 1.00 0.00 O ATOM 70 CB ARG A 8 -2.017 -4.467 -8.343 1.00 0.00 C ATOM 71 CG ARG A 8 -1.964 -2.984 -8.673 1.00 0.00 C ATOM 72 CD ARG A 8 -3.314 -2.318 -8.463 1.00 0.00 C ATOM 73 NE ARG A 8 -3.417 -1.051 -9.182 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.355 -0.142 -8.939 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.265 -0.359 -7.999 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.383 0.987 -9.635 1.00 0.00 N ATOM 0 H ARG A 8 -0.952 -6.781 -7.535 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.042 -5.271 -10.081 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.981 -4.867 -8.659 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.958 -4.592 -7.262 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.216 -2.497 -8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.649 -2.852 -9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.105 -2.989 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.471 -2.144 -7.398 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.731 -0.853 -9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.246 -1.225 -7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.984 0.340 -7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.684 1.158 -10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.104 1.684 -9.447 1.00 0.00 H new ATOM 90 N MET A 9 1.319 -4.587 -9.690 1.00 0.00 N ATOM 91 CA MET A 9 2.648 -4.011 -9.518 1.00 0.00 C ATOM 92 C MET A 9 2.604 -2.493 -9.657 1.00 0.00 C ATOM 93 O MET A 9 2.072 -1.964 -10.632 1.00 0.00 O ATOM 94 CB MET A 9 3.619 -4.601 -10.542 1.00 0.00 C ATOM 95 CG MET A 9 4.087 -6.006 -10.198 1.00 0.00 C ATOM 96 SD MET A 9 4.824 -6.109 -8.556 1.00 0.00 S ATOM 97 CE MET A 9 6.116 -7.317 -8.840 1.00 0.00 C ATOM 0 H MET A 9 1.124 -4.923 -10.633 1.00 0.00 H new ATOM 0 HA MET A 9 2.996 -4.256 -8.515 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.138 -4.617 -11.520 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.488 -3.948 -10.625 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.241 -6.691 -10.256 1.00 0.00 H new ATOM 0 HG3 MET A 9 4.815 -6.334 -10.940 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.697 -7.449 -7.927 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.668 -8.269 -9.126 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.770 -6.969 -9.640 1.00 0.00 H new ATOM 107 N VAL A 10 3.167 -1.797 -8.674 1.00 0.00 N ATOM 108 CA VAL A 10 3.193 -0.339 -8.687 1.00 0.00 C ATOM 109 C VAL A 10 4.609 0.187 -8.480 1.00 0.00 C ATOM 110 O VAL A 10 5.270 -0.148 -7.498 1.00 0.00 O ATOM 111 CB VAL A 10 2.274 0.248 -7.599 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.344 1.768 -7.605 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.843 -0.229 -7.796 1.00 0.00 C ATOM 0 H VAL A 10 3.611 -2.219 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 10 2.831 -0.024 -9.666 1.00 0.00 H new ATOM 0 HB VAL A 10 2.619 -0.104 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.689 2.165 -6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.369 2.086 -7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.025 2.143 -8.577 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.208 0.195 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.484 0.092 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.811 -1.317 -7.737 1.00 0.00 H new ATOM 123 N GLY A 11 5.069 1.016 -9.413 1.00 0.00 N ATOM 124 CA GLY A 11 6.404 1.576 -9.314 1.00 0.00 C ATOM 125 C GLY A 11 6.413 2.937 -8.647 1.00 0.00 C ATOM 126 O GLY A 11 5.634 3.818 -9.008 1.00 0.00 O ATOM 0 H GLY A 11 4.541 1.309 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.040 0.894 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.834 1.661 -10.312 1.00 0.00 H new ATOM 130 N ILE A 12 7.297 3.108 -7.669 1.00 0.00 N ATOM 131 CA ILE A 12 7.404 4.371 -6.949 1.00 0.00 C ATOM 132 C ILE A 12 8.834 4.898 -6.974 1.00 0.00 C ATOM 133 O ILE A 12 9.788 4.143 -6.787 1.00 0.00 O ATOM 134 CB ILE A 12 6.947 4.225 -5.486 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.534 3.642 -5.425 1.00 0.00 C ATOM 136 CG2 ILE A 12 7.002 5.571 -4.777 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.503 2.130 -5.437 1.00 0.00 C ATOM 0 H ILE A 12 7.949 2.388 -7.357 1.00 0.00 H new ATOM 0 HA ILE A 12 6.750 5.080 -7.456 1.00 0.00 H new ATOM 0 HB ILE A 12 7.624 3.540 -4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.041 4.000 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.959 4.016 -6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.676 5.452 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.024 5.950 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.345 6.277 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.469 1.787 -5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.967 1.764 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.050 1.748 -4.575 1.00 0.00 H new ATOM 149 N ARG A 13 8.976 6.200 -7.204 1.00 0.00 N ATOM 150 CA ARG A 13 10.290 6.829 -7.252 1.00 0.00 C ATOM 151 C ARG A 13 10.530 7.682 -6.010 1.00 0.00 C ATOM 152 O ARG A 13 11.182 8.724 -6.076 1.00 0.00 O ATOM 153 CB ARG A 13 10.421 7.691 -8.510 1.00 0.00 C ATOM 154 CG ARG A 13 10.308 6.901 -9.804 1.00 0.00 C ATOM 155 CD ARG A 13 8.861 6.775 -10.255 1.00 0.00 C ATOM 156 NE ARG A 13 8.663 5.635 -11.145 1.00 0.00 N ATOM 157 CZ ARG A 13 8.967 5.650 -12.438 1.00 0.00 C ATOM 158 NH1 ARG A 13 9.481 6.741 -12.989 1.00 0.00 N ATOM 159 NH2 ARG A 13 8.758 4.573 -13.183 1.00 0.00 N ATOM 0 H ARG A 13 8.197 6.839 -7.360 1.00 0.00 H new ATOM 0 HA ARG A 13 11.042 6.040 -7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.649 8.460 -8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.382 8.204 -8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.892 7.391 -10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.734 5.908 -9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.217 6.669 -9.382 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.559 7.690 -10.765 1.00 0.00 H new ATOM 0 HE ARG A 13 8.270 4.780 -10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.644 7.572 -12.420 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.714 6.750 -13.982 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.363 3.731 -12.763 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.992 4.586 -14.176 1.00 0.00 H new ATOM 173 N LYS A 14 9.999 7.233 -4.879 1.00 0.00 N ATOM 174 CA LYS A 14 10.155 7.953 -3.621 1.00 0.00 C ATOM 175 C LYS A 14 11.623 8.270 -3.354 1.00 0.00 C ATOM 176 O LYS A 14 12.488 8.008 -4.191 1.00 0.00 O ATOM 177 CB LYS A 14 9.582 7.131 -2.464 1.00 0.00 C ATOM 178 CG LYS A 14 10.077 5.695 -2.434 1.00 0.00 C ATOM 179 CD LYS A 14 9.500 4.931 -1.254 1.00 0.00 C ATOM 180 CE LYS A 14 9.912 5.556 0.070 1.00 0.00 C ATOM 181 NZ LYS A 14 9.929 4.557 1.174 1.00 0.00 N ATOM 0 H LYS A 14 9.456 6.373 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 14 9.606 8.892 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.841 7.615 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.494 7.130 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.801 5.195 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.166 5.685 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.413 4.914 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.838 3.895 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.901 6.002 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.223 6.363 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.791 5.042 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.164 3.868 1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.844 4.062 1.181 1.00 0.00 H new ATOM 195 N THR A 15 11.899 8.835 -2.183 1.00 0.00 N ATOM 196 CA THR A 15 13.262 9.188 -1.806 1.00 0.00 C ATOM 197 C THR A 15 13.717 8.397 -0.585 1.00 0.00 C ATOM 198 O THR A 15 12.920 8.092 0.302 1.00 0.00 O ATOM 199 CB THR A 15 13.390 10.693 -1.505 1.00 0.00 C ATOM 200 OG1 THR A 15 13.205 11.451 -2.706 1.00 0.00 O ATOM 201 CG2 THR A 15 14.751 11.011 -0.904 1.00 0.00 C ATOM 0 H THR A 15 11.196 9.058 -1.479 1.00 0.00 H new ATOM 0 HA THR A 15 13.899 8.939 -2.655 1.00 0.00 H new ATOM 0 HB THR A 15 12.619 10.963 -0.783 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.286 12.407 -2.505 1.00 0.00 H new ATOM 0 HG21 THR A 15 14.818 12.080 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 15 14.877 10.456 0.025 1.00 0.00 H new ATOM 0 HG23 THR A 15 15.534 10.726 -1.606 1.00 0.00 H new ATOM 209 N ALA A 16 15.004 8.067 -0.546 1.00 0.00 N ATOM 210 CA ALA A 16 15.565 7.313 0.568 1.00 0.00 C ATOM 211 C ALA A 16 15.227 7.970 1.902 1.00 0.00 C ATOM 212 O ALA A 16 15.420 9.172 2.080 1.00 0.00 O ATOM 213 CB ALA A 16 17.073 7.182 0.410 1.00 0.00 C ATOM 0 H ALA A 16 15.677 8.310 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 16 15.121 6.317 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.479 6.617 1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.297 6.661 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.524 8.174 0.389 1.00 0.00 H new ATOM 219 N GLY A 17 14.719 7.173 2.837 1.00 0.00 N ATOM 220 CA GLY A 17 14.361 7.696 4.143 1.00 0.00 C ATOM 221 C GLY A 17 12.999 8.361 4.147 1.00 0.00 C ATOM 222 O GLY A 17 12.270 8.291 5.136 1.00 0.00 O ATOM 0 H GLY A 17 14.549 6.175 2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.368 6.884 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.115 8.416 4.462 1.00 0.00 H new ATOM 226 N GLU A 18 12.656 9.011 3.039 1.00 0.00 N ATOM 227 CA GLU A 18 11.373 9.694 2.920 1.00 0.00 C ATOM 228 C GLU A 18 10.222 8.755 3.270 1.00 0.00 C ATOM 229 O GLU A 18 9.940 7.802 2.543 1.00 0.00 O ATOM 230 CB GLU A 18 11.189 10.238 1.502 1.00 0.00 C ATOM 231 CG GLU A 18 10.340 11.497 1.439 1.00 0.00 C ATOM 232 CD GLU A 18 11.164 12.763 1.579 1.00 0.00 C ATOM 233 OE1 GLU A 18 11.767 12.964 2.653 1.00 0.00 O ATOM 234 OE2 GLU A 18 11.205 13.553 0.612 1.00 0.00 O ATOM 0 H GLU A 18 13.248 9.079 2.211 1.00 0.00 H new ATOM 0 HA GLU A 18 11.367 10.526 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.168 10.448 1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.728 9.468 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.802 11.521 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.591 11.466 2.230 1.00 0.00 H new ATOM 241 N HIS A 19 9.561 9.030 4.390 1.00 0.00 N ATOM 242 CA HIS A 19 8.440 8.211 4.837 1.00 0.00 C ATOM 243 C HIS A 19 7.260 8.333 3.877 1.00 0.00 C ATOM 244 O HIS A 19 7.306 9.101 2.916 1.00 0.00 O ATOM 245 CB HIS A 19 8.011 8.621 6.246 1.00 0.00 C ATOM 246 CG HIS A 19 8.729 7.879 7.331 1.00 0.00 C ATOM 247 ND1 HIS A 19 9.728 8.444 8.096 1.00 0.00 N ATOM 248 CD2 HIS A 19 8.588 6.609 7.778 1.00 0.00 C ATOM 249 CE1 HIS A 19 10.170 7.553 8.966 1.00 0.00 C ATOM 250 NE2 HIS A 19 9.495 6.431 8.794 1.00 0.00 N ATOM 0 H HIS A 19 9.782 9.814 5.004 1.00 0.00 H new ATOM 0 HA HIS A 19 8.766 7.171 4.853 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.183 9.690 6.373 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.939 8.456 6.353 1.00 0.00 H new ATOM 0 HD2 HIS A 19 7.892 5.873 7.405 1.00 0.00 H new ATOM 0 HE1 HIS A 19 10.951 7.715 9.694 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.626 5.572 9.329 1.00 0.00 H new ATOM 259 N LEU A 20 6.205 7.571 4.144 1.00 0.00 N ATOM 260 CA LEU A 20 5.013 7.594 3.304 1.00 0.00 C ATOM 261 C LEU A 20 3.804 8.095 4.088 1.00 0.00 C ATOM 262 O LEU A 20 3.176 9.084 3.713 1.00 0.00 O ATOM 263 CB LEU A 20 4.731 6.197 2.748 1.00 0.00 C ATOM 264 CG LEU A 20 5.689 5.699 1.666 1.00 0.00 C ATOM 265 CD1 LEU A 20 6.988 5.209 2.287 1.00 0.00 C ATOM 266 CD2 LEU A 20 5.039 4.596 0.844 1.00 0.00 C ATOM 0 H LEU A 20 6.151 6.930 4.935 1.00 0.00 H new ATOM 0 HA LEU A 20 5.195 8.279 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.749 5.488 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.719 6.187 2.342 1.00 0.00 H new ATOM 0 HG LEU A 20 5.920 6.532 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.657 4.858 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.463 6.026 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.776 4.391 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.736 4.254 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.778 3.762 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.137 4.981 0.368 1.00 0.00 H new ATOM 278 N GLY A 21 3.486 7.407 5.180 1.00 0.00 N ATOM 279 CA GLY A 21 2.355 7.799 6.000 1.00 0.00 C ATOM 280 C GLY A 21 1.203 6.819 5.906 1.00 0.00 C ATOM 281 O GLY A 21 0.109 7.174 5.467 1.00 0.00 O ATOM 0 H GLY A 21 3.991 6.585 5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.675 7.881 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.013 8.787 5.693 1.00 0.00 H new ATOM 285 N VAL A 22 1.448 5.579 6.318 1.00 0.00 N ATOM 286 CA VAL A 22 0.422 4.543 6.278 1.00 0.00 C ATOM 287 C VAL A 22 0.528 3.618 7.485 1.00 0.00 C ATOM 288 O VAL A 22 1.440 3.746 8.303 1.00 0.00 O ATOM 289 CB VAL A 22 0.523 3.703 4.991 1.00 0.00 C ATOM 290 CG1 VAL A 22 0.251 4.565 3.768 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.889 3.040 4.893 1.00 0.00 C ATOM 0 H VAL A 22 2.348 5.267 6.683 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.542 5.051 6.297 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.234 2.919 5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.327 3.954 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.751 4.988 3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.982 5.372 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.943 2.451 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.665 3.806 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.040 2.388 5.754 1.00 0.00 H new ATOM 301 N THR A 23 -0.411 2.683 7.592 1.00 0.00 N ATOM 302 CA THR A 23 -0.425 1.736 8.699 1.00 0.00 C ATOM 303 C THR A 23 -1.075 0.419 8.289 1.00 0.00 C ATOM 304 O THR A 23 -2.230 0.392 7.864 1.00 0.00 O ATOM 305 CB THR A 23 -1.173 2.307 9.918 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.430 2.857 9.508 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.345 3.381 10.607 1.00 0.00 C ATOM 0 H THR A 23 -1.172 2.562 6.924 1.00 0.00 H new ATOM 0 HA THR A 23 0.615 1.555 8.972 1.00 0.00 H new ATOM 0 HB THR A 23 -1.345 1.494 10.624 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.430 2.984 8.536 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.894 3.769 11.465 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.599 2.952 10.944 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.146 4.192 9.907 1.00 0.00 H new ATOM 315 N PHE A 24 -0.326 -0.671 8.419 1.00 0.00 N ATOM 316 CA PHE A 24 -0.831 -1.992 8.061 1.00 0.00 C ATOM 317 C PHE A 24 -1.244 -2.772 9.306 1.00 0.00 C ATOM 318 O PHE A 24 -1.001 -2.338 10.432 1.00 0.00 O ATOM 319 CB PHE A 24 0.231 -2.773 7.285 1.00 0.00 C ATOM 320 CG PHE A 24 0.767 -2.034 6.092 1.00 0.00 C ATOM 321 CD1 PHE A 24 1.747 -1.066 6.243 1.00 0.00 C ATOM 322 CD2 PHE A 24 0.291 -2.307 4.820 1.00 0.00 C ATOM 323 CE1 PHE A 24 2.243 -0.384 5.148 1.00 0.00 C ATOM 324 CE2 PHE A 24 0.783 -1.629 3.721 1.00 0.00 C ATOM 325 CZ PHE A 24 1.759 -0.665 3.885 1.00 0.00 C ATOM 0 H PHE A 24 0.632 -0.666 8.769 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.709 -1.859 7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.057 -3.012 7.955 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.195 -3.720 6.954 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.128 -0.842 7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.473 -3.058 4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.008 0.367 5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.405 -1.853 2.734 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.143 -0.132 3.028 1.00 0.00 H new ATOM 335 N ARG A 25 -1.870 -3.924 9.093 1.00 0.00 N ATOM 336 CA ARG A 25 -2.319 -4.764 10.197 1.00 0.00 C ATOM 337 C ARG A 25 -2.249 -6.241 9.820 1.00 0.00 C ATOM 338 O ARG A 25 -2.127 -6.587 8.645 1.00 0.00 O ATOM 339 CB ARG A 25 -3.749 -4.396 10.597 1.00 0.00 C ATOM 340 CG ARG A 25 -4.803 -4.901 9.625 1.00 0.00 C ATOM 341 CD ARG A 25 -6.027 -3.999 9.613 1.00 0.00 C ATOM 342 NE ARG A 25 -6.831 -4.152 10.822 1.00 0.00 N ATOM 343 CZ ARG A 25 -7.593 -5.212 11.068 1.00 0.00 C ATOM 344 NH1 ARG A 25 -7.653 -6.207 10.194 1.00 0.00 N ATOM 345 NH2 ARG A 25 -8.296 -5.279 12.192 1.00 0.00 N ATOM 0 H ARG A 25 -2.078 -4.297 8.167 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.656 -4.591 11.045 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.956 -4.802 11.587 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.828 -3.312 10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.379 -4.954 8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.098 -5.913 9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.711 -2.960 9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.638 -4.228 8.740 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.806 -3.404 11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.113 -6.160 9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.239 -7.020 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.251 -4.516 12.868 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.881 -6.093 12.380 1.00 0.00 H new ATOM 359 N VAL A 26 -2.327 -7.108 10.825 1.00 0.00 N ATOM 360 CA VAL A 26 -2.273 -8.547 10.599 1.00 0.00 C ATOM 361 C VAL A 26 -3.608 -9.206 10.930 1.00 0.00 C ATOM 362 O VAL A 26 -3.975 -9.331 12.098 1.00 0.00 O ATOM 363 CB VAL A 26 -1.164 -9.206 11.440 1.00 0.00 C ATOM 364 CG1 VAL A 26 -1.041 -10.683 11.098 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.160 -8.489 11.231 1.00 0.00 C ATOM 0 H VAL A 26 -2.428 -6.838 11.804 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.052 -8.693 9.542 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.433 -9.123 12.493 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.252 -11.132 11.702 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.986 -11.184 11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.796 -10.793 10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.932 -8.968 11.833 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.438 -8.538 10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.060 -7.446 11.532 1.00 0.00 H new ATOM 375 N GLU A 27 -4.328 -9.626 9.895 1.00 0.00 N ATOM 376 CA GLU A 27 -5.622 -10.272 10.077 1.00 0.00 C ATOM 377 C GLU A 27 -5.541 -11.758 9.738 1.00 0.00 C ATOM 378 O GLU A 27 -6.500 -12.504 9.934 1.00 0.00 O ATOM 379 CB GLU A 27 -6.682 -9.595 9.206 1.00 0.00 C ATOM 380 CG GLU A 27 -6.213 -9.308 7.790 1.00 0.00 C ATOM 381 CD GLU A 27 -7.257 -8.580 6.966 1.00 0.00 C ATOM 382 OE1 GLU A 27 -8.451 -8.925 7.081 1.00 0.00 O ATOM 383 OE2 GLU A 27 -6.879 -7.664 6.206 1.00 0.00 O ATOM 0 H GLU A 27 -4.037 -9.530 8.922 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.905 -10.171 11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.567 -10.231 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.983 -8.659 9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.303 -8.710 7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.958 -10.247 7.299 1.00 0.00 H new ATOM 390 N GLY A 28 -4.389 -12.180 9.226 1.00 0.00 N ATOM 391 CA GLY A 28 -4.204 -13.574 8.866 1.00 0.00 C ATOM 392 C GLY A 28 -3.003 -13.786 7.966 1.00 0.00 C ATOM 393 O GLY A 28 -3.148 -13.961 6.757 1.00 0.00 O ATOM 0 H GLY A 28 -3.581 -11.582 9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.084 -14.167 9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.100 -13.938 8.363 1.00 0.00 H new ATOM 397 N GLY A 29 -1.812 -13.768 8.557 1.00 0.00 N ATOM 398 CA GLY A 29 -0.598 -13.958 7.785 1.00 0.00 C ATOM 399 C GLY A 29 -0.511 -13.017 6.600 1.00 0.00 C ATOM 400 O GLY A 29 0.289 -13.230 5.689 1.00 0.00 O ATOM 0 H GLY A 29 -1.666 -13.625 9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.267 -13.805 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.554 -14.988 7.431 1.00 0.00 H new ATOM 404 N GLU A 30 -1.336 -11.976 6.611 1.00 0.00 N ATOM 405 CA GLU A 30 -1.350 -11.001 5.527 1.00 0.00 C ATOM 406 C GLU A 30 -1.185 -9.583 6.067 1.00 0.00 C ATOM 407 O GLU A 30 -1.391 -9.332 7.255 1.00 0.00 O ATOM 408 CB GLU A 30 -2.653 -11.107 4.732 1.00 0.00 C ATOM 409 CG GLU A 30 -2.808 -12.424 3.989 1.00 0.00 C ATOM 410 CD GLU A 30 -3.627 -12.285 2.721 1.00 0.00 C ATOM 411 OE1 GLU A 30 -4.835 -11.985 2.826 1.00 0.00 O ATOM 412 OE2 GLU A 30 -3.062 -12.477 1.624 1.00 0.00 O ATOM 0 H GLU A 30 -2.004 -11.786 7.358 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.511 -11.219 4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.495 -10.982 5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.699 -10.287 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.821 -12.814 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.282 -13.154 4.645 1.00 0.00 H new ATOM 419 N LEU A 31 -0.812 -8.661 5.187 1.00 0.00 N ATOM 420 CA LEU A 31 -0.619 -7.268 5.575 1.00 0.00 C ATOM 421 C LEU A 31 -1.473 -6.340 4.718 1.00 0.00 C ATOM 422 O LEU A 31 -1.211 -6.159 3.529 1.00 0.00 O ATOM 423 CB LEU A 31 0.856 -6.883 5.449 1.00 0.00 C ATOM 424 CG LEU A 31 1.717 -7.103 6.693 1.00 0.00 C ATOM 425 CD1 LEU A 31 3.134 -6.604 6.458 1.00 0.00 C ATOM 426 CD2 LEU A 31 1.098 -6.411 7.899 1.00 0.00 C ATOM 0 H LEU A 31 -0.637 -8.852 4.200 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.929 -7.160 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.290 -7.452 4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.913 -5.830 5.174 1.00 0.00 H new ATOM 0 HG LEU A 31 1.761 -8.173 6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.731 -6.769 7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.577 -7.146 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.111 -5.539 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.724 -6.578 8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.023 -5.341 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.103 -6.818 8.081 1.00 0.00 H new ATOM 438 N VAL A 32 -2.497 -5.753 5.330 1.00 0.00 N ATOM 439 CA VAL A 32 -3.389 -4.841 4.623 1.00 0.00 C ATOM 440 C VAL A 32 -3.308 -3.434 5.204 1.00 0.00 C ATOM 441 O VAL A 32 -3.255 -3.256 6.422 1.00 0.00 O ATOM 442 CB VAL A 32 -4.849 -5.326 4.683 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.673 -4.678 3.580 1.00 0.00 C ATOM 444 CG2 VAL A 32 -4.911 -6.843 4.585 1.00 0.00 C ATOM 0 H VAL A 32 -2.729 -5.893 6.313 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.063 -4.821 3.583 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.273 -5.029 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.702 -5.033 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.655 -3.595 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.253 -4.941 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.950 -7.168 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.470 -7.165 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.357 -7.284 5.414 1.00 0.00 H new ATOM 454 N ILE A 33 -3.298 -2.437 4.326 1.00 0.00 N ATOM 455 CA ILE A 33 -3.226 -1.045 4.752 1.00 0.00 C ATOM 456 C ILE A 33 -4.435 -0.665 5.600 1.00 0.00 C ATOM 457 O ILE A 33 -5.481 -0.287 5.073 1.00 0.00 O ATOM 458 CB ILE A 33 -3.139 -0.091 3.546 1.00 0.00 C ATOM 459 CG1 ILE A 33 -1.763 -0.193 2.885 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.418 1.340 3.981 1.00 0.00 C ATOM 461 CD1 ILE A 33 -1.662 0.564 1.579 1.00 0.00 C ATOM 0 H ILE A 33 -3.339 -2.567 3.315 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.320 -0.945 5.350 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.895 -0.383 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.009 0.186 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.532 -1.243 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.353 2.002 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.418 1.401 4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.683 1.643 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.660 0.447 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.393 0.170 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.861 1.621 1.755 1.00 0.00 H new ATOM 473 N ALA A 34 -4.283 -0.767 6.916 1.00 0.00 N ATOM 474 CA ALA A 34 -5.361 -0.431 7.838 1.00 0.00 C ATOM 475 C ALA A 34 -5.795 1.021 7.668 1.00 0.00 C ATOM 476 O ALA A 34 -6.988 1.316 7.588 1.00 0.00 O ATOM 477 CB ALA A 34 -4.928 -0.690 9.273 1.00 0.00 C ATOM 0 H ALA A 34 -3.424 -1.080 7.368 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.215 -1.068 7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.743 -0.435 9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.674 -1.743 9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.057 -0.078 9.506 1.00 0.00 H new ATOM 483 N ARG A 35 -4.821 1.923 7.615 1.00 0.00 N ATOM 484 CA ARG A 35 -5.104 3.344 7.457 1.00 0.00 C ATOM 485 C ARG A 35 -3.953 4.052 6.747 1.00 0.00 C ATOM 486 O ARG A 35 -2.794 3.657 6.877 1.00 0.00 O ATOM 487 CB ARG A 35 -5.351 3.992 8.821 1.00 0.00 C ATOM 488 CG ARG A 35 -4.997 5.469 8.867 1.00 0.00 C ATOM 489 CD ARG A 35 -5.192 6.046 10.260 1.00 0.00 C ATOM 490 NE ARG A 35 -5.313 7.501 10.239 1.00 0.00 N ATOM 491 CZ ARG A 35 -5.800 8.213 11.249 1.00 0.00 C ATOM 492 NH1 ARG A 35 -6.209 7.607 12.355 1.00 0.00 N ATOM 493 NH2 ARG A 35 -5.878 9.534 11.154 1.00 0.00 N ATOM 0 H ARG A 35 -3.829 1.695 7.679 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.002 3.444 6.847 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.401 3.870 9.087 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.768 3.464 9.576 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.961 5.606 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.617 6.015 8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.087 5.615 10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.350 5.762 10.891 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.007 7.998 9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.150 6.592 12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.583 8.156 13.129 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.564 10.004 10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.252 10.080 11.930 1.00 0.00 H new ATOM 507 N ILE A 36 -4.282 5.098 5.997 1.00 0.00 N ATOM 508 CA ILE A 36 -3.276 5.860 5.267 1.00 0.00 C ATOM 509 C ILE A 36 -3.159 7.279 5.813 1.00 0.00 C ATOM 510 O ILE A 36 -3.962 8.152 5.481 1.00 0.00 O ATOM 511 CB ILE A 36 -3.601 5.926 3.763 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.407 4.553 3.117 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.729 6.967 3.078 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.189 4.373 1.834 1.00 0.00 C ATOM 0 H ILE A 36 -5.237 5.437 5.879 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.327 5.341 5.403 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.644 6.219 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.347 4.404 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.706 3.781 3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.970 7.002 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.911 7.945 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.679 6.701 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.004 3.377 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.253 4.490 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.874 5.122 1.108 1.00 0.00 H new ATOM 526 N LEU A 37 -2.153 7.504 6.651 1.00 0.00 N ATOM 527 CA LEU A 37 -1.928 8.818 7.242 1.00 0.00 C ATOM 528 C LEU A 37 -1.929 9.905 6.171 1.00 0.00 C ATOM 529 O LEU A 37 -1.893 9.612 4.976 1.00 0.00 O ATOM 530 CB LEU A 37 -0.601 8.837 8.002 1.00 0.00 C ATOM 531 CG LEU A 37 -0.656 8.382 9.461 1.00 0.00 C ATOM 532 CD1 LEU A 37 -1.114 6.934 9.551 1.00 0.00 C ATOM 533 CD2 LEU A 37 0.702 8.555 10.126 1.00 0.00 C ATOM 0 H LEU A 37 -1.480 6.793 6.937 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.742 9.019 7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.108 8.202 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.204 9.852 7.974 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.379 9.005 9.989 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.147 6.627 10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.108 6.839 9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.416 6.297 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.644 8.226 11.164 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.445 7.958 9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.992 9.605 10.094 1.00 0.00 H new ATOM 545 N HIS A 38 -1.969 11.159 6.609 1.00 0.00 N ATOM 546 CA HIS A 38 -1.972 12.290 5.687 1.00 0.00 C ATOM 547 C HIS A 38 -0.550 12.654 5.269 1.00 0.00 C ATOM 548 O HIS A 38 -0.168 13.824 5.285 1.00 0.00 O ATOM 549 CB HIS A 38 -2.652 13.499 6.332 1.00 0.00 C ATOM 550 CG HIS A 38 -1.802 14.189 7.354 1.00 0.00 C ATOM 551 ND1 HIS A 38 -2.029 15.484 7.770 1.00 0.00 N ATOM 552 CD2 HIS A 38 -0.722 13.757 8.045 1.00 0.00 C ATOM 553 CE1 HIS A 38 -1.124 15.819 8.672 1.00 0.00 C ATOM 554 NE2 HIS A 38 -0.319 14.788 8.857 1.00 0.00 N ATOM 0 H HIS A 38 -2.000 11.418 7.595 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.531 12.000 4.797 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.921 14.213 5.553 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.581 13.175 6.802 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.262 12.782 7.971 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.054 16.773 9.173 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.473 14.762 9.499 1.00 0.00 H new ATOM 563 N GLY A 39 0.229 11.643 4.897 1.00 0.00 N ATOM 564 CA GLY A 39 1.600 11.878 4.482 1.00 0.00 C ATOM 565 C GLY A 39 1.688 12.535 3.118 1.00 0.00 C ATOM 566 O GLY A 39 2.270 13.609 2.975 1.00 0.00 O ATOM 0 H GLY A 39 -0.064 10.666 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.096 12.510 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.138 10.930 4.461 1.00 0.00 H new ATOM 570 N GLY A 40 1.110 11.886 2.112 1.00 0.00 N ATOM 571 CA GLY A 40 1.139 12.427 0.766 1.00 0.00 C ATOM 572 C GLY A 40 1.464 11.375 -0.276 1.00 0.00 C ATOM 573 O GLY A 40 0.687 11.150 -1.203 1.00 0.00 O ATOM 0 H GLY A 40 0.622 10.995 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.172 12.874 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.879 13.225 0.715 1.00 0.00 H new ATOM 577 N MET A 41 2.616 10.730 -0.124 1.00 0.00 N ATOM 578 CA MET A 41 3.042 9.696 -1.060 1.00 0.00 C ATOM 579 C MET A 41 1.847 8.891 -1.560 1.00 0.00 C ATOM 580 O MET A 41 1.554 8.874 -2.756 1.00 0.00 O ATOM 581 CB MET A 41 4.058 8.764 -0.396 1.00 0.00 C ATOM 582 CG MET A 41 4.646 7.733 -1.345 1.00 0.00 C ATOM 583 SD MET A 41 6.099 8.344 -2.221 1.00 0.00 S ATOM 584 CE MET A 41 7.287 8.437 -0.884 1.00 0.00 C ATOM 0 H MET A 41 3.271 10.905 0.638 1.00 0.00 H new ATOM 0 HA MET A 41 3.512 10.184 -1.914 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.867 9.362 0.025 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.577 8.248 0.435 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.915 6.839 -0.783 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.887 7.437 -2.070 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.156 9.009 -1.209 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.830 8.928 -0.025 1.00 0.00 H new ATOM 0 HE3 MET A 41 7.599 7.431 -0.604 1.00 0.00 H new ATOM 594 N VAL A 42 1.160 8.224 -0.638 1.00 0.00 N ATOM 595 CA VAL A 42 -0.003 7.417 -0.986 1.00 0.00 C ATOM 596 C VAL A 42 -1.261 8.274 -1.072 1.00 0.00 C ATOM 597 O VAL A 42 -2.017 8.190 -2.038 1.00 0.00 O ATOM 598 CB VAL A 42 -0.232 6.290 0.038 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.323 5.345 -0.441 1.00 0.00 C ATOM 600 CG2 VAL A 42 1.063 5.535 0.297 1.00 0.00 C ATOM 0 H VAL A 42 1.389 8.227 0.356 1.00 0.00 H new ATOM 0 HA VAL A 42 0.200 6.975 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.560 6.737 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.470 4.556 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.253 5.899 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.029 4.902 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.883 4.742 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.423 5.099 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.813 6.222 0.689 1.00 0.00 H new ATOM 610 N ALA A 43 -1.478 9.100 -0.053 1.00 0.00 N ATOM 611 CA ALA A 43 -2.642 9.975 -0.014 1.00 0.00 C ATOM 612 C ALA A 43 -2.804 10.734 -1.327 1.00 0.00 C ATOM 613 O ALA A 43 -3.893 11.205 -1.652 1.00 0.00 O ATOM 614 CB ALA A 43 -2.532 10.948 1.151 1.00 0.00 C ATOM 0 H ALA A 43 -0.862 9.181 0.756 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.527 9.355 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.408 11.596 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.474 10.391 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.634 11.555 1.034 1.00 0.00 H new ATOM 620 N GLN A 44 -1.712 10.849 -2.076 1.00 0.00 N ATOM 621 CA GLN A 44 -1.733 11.552 -3.353 1.00 0.00 C ATOM 622 C GLN A 44 -1.956 10.579 -4.507 1.00 0.00 C ATOM 623 O GLN A 44 -2.967 10.652 -5.204 1.00 0.00 O ATOM 624 CB GLN A 44 -0.424 12.316 -3.561 1.00 0.00 C ATOM 625 CG GLN A 44 -0.229 13.465 -2.584 1.00 0.00 C ATOM 626 CD GLN A 44 -1.211 14.597 -2.811 1.00 0.00 C ATOM 627 OE1 GLN A 44 -1.156 15.287 -3.830 1.00 0.00 O ATOM 628 NE2 GLN A 44 -2.117 14.796 -1.861 1.00 0.00 N ATOM 0 H GLN A 44 -0.802 10.465 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.560 12.261 -3.334 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.411 11.622 -3.465 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.398 12.707 -4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.338 13.093 -1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.788 13.847 -2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.127 14.201 -1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.803 15.544 -1.959 1.00 0.00 H new ATOM 637 N GLN A 45 -1.005 9.671 -4.701 1.00 0.00 N ATOM 638 CA GLN A 45 -1.099 8.685 -5.771 1.00 0.00 C ATOM 639 C GLN A 45 -2.544 8.245 -5.981 1.00 0.00 C ATOM 640 O GLN A 45 -3.032 8.202 -7.110 1.00 0.00 O ATOM 641 CB GLN A 45 -0.225 7.471 -5.451 1.00 0.00 C ATOM 642 CG GLN A 45 1.214 7.617 -5.919 1.00 0.00 C ATOM 643 CD GLN A 45 2.187 6.819 -5.073 1.00 0.00 C ATOM 644 OE1 GLN A 45 1.784 5.965 -4.282 1.00 0.00 O ATOM 645 NE2 GLN A 45 3.476 7.093 -5.235 1.00 0.00 N ATOM 0 H GLN A 45 -0.162 9.598 -4.132 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.743 9.149 -6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.233 7.302 -4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.662 6.587 -5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.289 7.292 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.495 8.670 -5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.765 7.809 -5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.177 6.588 -4.693 1.00 0.00 H new ATOM 654 N GLY A 46 -3.224 7.919 -4.886 1.00 0.00 N ATOM 655 CA GLY A 46 -4.606 7.486 -4.973 1.00 0.00 C ATOM 656 C GLY A 46 -4.733 6.022 -5.346 1.00 0.00 C ATOM 657 O GLY A 46 -5.799 5.424 -5.191 1.00 0.00 O ATOM 0 H GLY A 46 -2.842 7.947 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.098 7.658 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.128 8.093 -5.713 1.00 0.00 H new ATOM 661 N LEU A 47 -3.645 5.444 -5.842 1.00 0.00 N ATOM 662 CA LEU A 47 -3.639 4.040 -6.241 1.00 0.00 C ATOM 663 C LEU A 47 -3.994 3.138 -5.063 1.00 0.00 C ATOM 664 O LEU A 47 -5.043 2.492 -5.056 1.00 0.00 O ATOM 665 CB LEU A 47 -2.268 3.654 -6.799 1.00 0.00 C ATOM 666 CG LEU A 47 -1.773 4.474 -7.991 1.00 0.00 C ATOM 667 CD1 LEU A 47 -0.260 4.385 -8.109 1.00 0.00 C ATOM 668 CD2 LEU A 47 -2.439 4.001 -9.276 1.00 0.00 C ATOM 0 H LEU A 47 -2.756 5.925 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.392 3.905 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.535 3.738 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.300 2.605 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.043 5.517 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.074 4.975 -8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.199 4.772 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.033 3.345 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.075 4.595 -10.114 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.200 2.951 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.519 4.118 -9.190 1.00 0.00 H new ATOM 680 N LEU A 48 -3.115 3.100 -4.068 1.00 0.00 N ATOM 681 CA LEU A 48 -3.336 2.279 -2.883 1.00 0.00 C ATOM 682 C LEU A 48 -4.497 2.820 -2.054 1.00 0.00 C ATOM 683 O LEU A 48 -4.812 4.009 -2.110 1.00 0.00 O ATOM 684 CB LEU A 48 -2.067 2.226 -2.030 1.00 0.00 C ATOM 685 CG LEU A 48 -0.773 1.892 -2.773 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.421 2.528 -2.078 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.592 0.384 -2.876 1.00 0.00 C ATOM 0 H LEU A 48 -2.242 3.628 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.587 1.271 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.942 3.191 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.212 1.485 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.839 2.300 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.333 2.279 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.295 3.611 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.492 2.151 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.334 0.164 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.547 -0.046 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.433 -0.047 -3.419 1.00 0.00 H new ATOM 699 N HIS A 49 -5.129 1.939 -1.285 1.00 0.00 N ATOM 700 CA HIS A 49 -6.254 2.329 -0.442 1.00 0.00 C ATOM 701 C HIS A 49 -6.522 1.275 0.628 1.00 0.00 C ATOM 702 O HIS A 49 -6.037 0.147 0.539 1.00 0.00 O ATOM 703 CB HIS A 49 -7.507 2.539 -1.292 1.00 0.00 C ATOM 704 CG HIS A 49 -8.074 1.269 -1.847 1.00 0.00 C ATOM 705 ND1 HIS A 49 -9.009 0.507 -1.180 1.00 0.00 N ATOM 706 CD2 HIS A 49 -7.834 0.629 -3.016 1.00 0.00 C ATOM 707 CE1 HIS A 49 -9.319 -0.548 -1.912 1.00 0.00 C ATOM 708 NE2 HIS A 49 -8.620 -0.497 -3.032 1.00 0.00 N ATOM 0 H HIS A 49 -4.882 0.951 -1.228 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.998 3.266 0.052 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.268 3.033 -0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.269 3.211 -2.116 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -9.401 0.724 -0.264 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.152 0.945 -3.791 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.024 -1.320 -1.641 1.00 0.00 H new ATOM 717 N VAL A 50 -7.296 1.650 1.641 1.00 0.00 N ATOM 718 CA VAL A 50 -7.629 0.738 2.729 1.00 0.00 C ATOM 719 C VAL A 50 -8.130 -0.598 2.191 1.00 0.00 C ATOM 720 O VAL A 50 -9.179 -0.667 1.551 1.00 0.00 O ATOM 721 CB VAL A 50 -8.699 1.339 3.658 1.00 0.00 C ATOM 722 CG1 VAL A 50 -9.219 0.286 4.626 1.00 0.00 C ATOM 723 CG2 VAL A 50 -8.139 2.536 4.411 1.00 0.00 C ATOM 0 H VAL A 50 -7.705 2.580 1.731 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.714 0.577 3.299 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.535 1.681 3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.974 0.729 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.661 -0.538 4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.395 -0.089 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.909 2.948 5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.285 2.221 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.821 3.297 3.699 1.00 0.00 H new ATOM 733 N GLY A 51 -7.373 -1.658 2.456 1.00 0.00 N ATOM 734 CA GLY A 51 -7.758 -2.979 1.992 1.00 0.00 C ATOM 735 C GLY A 51 -6.831 -3.507 0.915 1.00 0.00 C ATOM 736 O GLY A 51 -7.188 -4.423 0.174 1.00 0.00 O ATOM 0 H GLY A 51 -6.500 -1.626 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.762 -3.670 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.776 -2.943 1.605 1.00 0.00 H new ATOM 740 N ASP A 52 -5.639 -2.927 0.826 1.00 0.00 N ATOM 741 CA ASP A 52 -4.658 -3.345 -0.169 1.00 0.00 C ATOM 742 C ASP A 52 -3.677 -4.351 0.423 1.00 0.00 C ATOM 743 O ASP A 52 -2.823 -3.995 1.236 1.00 0.00 O ATOM 744 CB ASP A 52 -3.900 -2.131 -0.709 1.00 0.00 C ATOM 745 CG ASP A 52 -4.635 -1.448 -1.846 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.871 -1.302 -1.750 1.00 0.00 O ATOM 747 OD2 ASP A 52 -3.974 -1.061 -2.833 1.00 0.00 O ATOM 0 H ASP A 52 -5.329 -2.166 1.431 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.191 -3.826 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.742 -1.416 0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.915 -2.445 -1.054 1.00 0.00 H new ATOM 752 N ILE A 53 -3.806 -5.608 0.013 1.00 0.00 N ATOM 753 CA ILE A 53 -2.931 -6.665 0.503 1.00 0.00 C ATOM 754 C ILE A 53 -1.639 -6.728 -0.304 1.00 0.00 C ATOM 755 O ILE A 53 -1.665 -6.759 -1.535 1.00 0.00 O ATOM 756 CB ILE A 53 -3.623 -8.040 0.450 1.00 0.00 C ATOM 757 CG1 ILE A 53 -5.018 -7.957 1.075 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.779 -9.086 1.163 1.00 0.00 C ATOM 759 CD1 ILE A 53 -5.996 -8.959 0.503 1.00 0.00 C ATOM 0 H ILE A 53 -4.509 -5.919 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.698 -6.425 1.540 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.729 -8.337 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.936 -8.115 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.413 -6.952 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.282 -10.052 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.805 -9.160 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.645 -8.796 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.963 -8.843 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.108 -8.788 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.623 -9.969 0.672 1.00 0.00 H new ATOM 771 N ILE A 54 -0.510 -6.748 0.396 1.00 0.00 N ATOM 772 CA ILE A 54 0.792 -6.810 -0.256 1.00 0.00 C ATOM 773 C ILE A 54 1.324 -8.239 -0.286 1.00 0.00 C ATOM 774 O ILE A 54 0.939 -9.075 0.532 1.00 0.00 O ATOM 775 CB ILE A 54 1.820 -5.908 0.452 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.192 -4.556 0.798 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.050 -5.718 -0.423 1.00 0.00 C ATOM 778 CD1 ILE A 54 1.912 -3.820 1.906 1.00 0.00 C ATOM 0 H ILE A 54 -0.471 -6.722 1.415 1.00 0.00 H new ATOM 0 HA ILE A 54 0.651 -6.455 -1.277 1.00 0.00 H new ATOM 0 HB ILE A 54 2.129 -6.392 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.181 -3.931 -0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.154 -4.711 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.767 -5.078 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.507 -6.687 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.758 -5.252 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.412 -2.871 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.901 -4.425 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.944 -3.633 1.608 1.00 0.00 H new ATOM 790 N LYS A 55 2.212 -8.514 -1.235 1.00 0.00 N ATOM 791 CA LYS A 55 2.801 -9.841 -1.373 1.00 0.00 C ATOM 792 C LYS A 55 4.324 -9.762 -1.382 1.00 0.00 C ATOM 793 O LYS A 55 4.990 -10.362 -0.539 1.00 0.00 O ATOM 794 CB LYS A 55 2.306 -10.510 -2.657 1.00 0.00 C ATOM 795 CG LYS A 55 1.023 -11.301 -2.475 1.00 0.00 C ATOM 796 CD LYS A 55 1.288 -12.655 -1.837 1.00 0.00 C ATOM 797 CE LYS A 55 0.208 -13.663 -2.200 1.00 0.00 C ATOM 798 NZ LYS A 55 0.553 -15.036 -1.737 1.00 0.00 N ATOM 0 H LYS A 55 2.540 -7.834 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 55 2.491 -10.440 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.147 -9.745 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.083 -11.176 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.330 -10.734 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.541 -11.442 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.259 -13.028 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.335 -12.545 -0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.739 -13.357 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.065 -13.669 -3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.208 -15.694 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.444 -15.339 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.664 -15.036 -0.703 1.00 0.00 H new ATOM 812 N GLU A 56 4.868 -9.018 -2.339 1.00 0.00 N ATOM 813 CA GLU A 56 6.313 -8.861 -2.456 1.00 0.00 C ATOM 814 C GLU A 56 6.671 -7.460 -2.943 1.00 0.00 C ATOM 815 O GLU A 56 5.996 -6.899 -3.806 1.00 0.00 O ATOM 816 CB GLU A 56 6.886 -9.908 -3.414 1.00 0.00 C ATOM 817 CG GLU A 56 8.346 -10.238 -3.152 1.00 0.00 C ATOM 818 CD GLU A 56 8.519 -11.367 -2.155 1.00 0.00 C ATOM 819 OE1 GLU A 56 7.557 -11.658 -1.414 1.00 0.00 O ATOM 820 OE2 GLU A 56 9.618 -11.959 -2.115 1.00 0.00 O ATOM 0 H GLU A 56 4.330 -8.514 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 56 6.749 -9.005 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.296 -10.821 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.782 -9.548 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.827 -10.511 -4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.855 -9.349 -2.780 1.00 0.00 H new ATOM 827 N VAL A 57 7.738 -6.900 -2.382 1.00 0.00 N ATOM 828 CA VAL A 57 8.187 -5.565 -2.759 1.00 0.00 C ATOM 829 C VAL A 57 9.539 -5.617 -3.462 1.00 0.00 C ATOM 830 O VAL A 57 10.516 -6.126 -2.914 1.00 0.00 O ATOM 831 CB VAL A 57 8.296 -4.642 -1.531 1.00 0.00 C ATOM 832 CG1 VAL A 57 9.296 -5.200 -0.530 1.00 0.00 C ATOM 833 CG2 VAL A 57 8.684 -3.233 -1.955 1.00 0.00 C ATOM 0 H VAL A 57 8.307 -7.350 -1.665 1.00 0.00 H new ATOM 0 HA VAL A 57 7.440 -5.162 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 57 7.321 -4.595 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.359 -4.534 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.970 -6.187 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.276 -5.279 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.756 -2.595 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.647 -3.259 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.927 -2.835 -2.630 1.00 0.00 H new ATOM 843 N ASN A 58 9.587 -5.087 -4.680 1.00 0.00 N ATOM 844 CA ASN A 58 10.820 -5.074 -5.459 1.00 0.00 C ATOM 845 C ASN A 58 11.502 -6.438 -5.422 1.00 0.00 C ATOM 846 O ASN A 58 12.714 -6.543 -5.601 1.00 0.00 O ATOM 847 CB ASN A 58 11.772 -4.001 -4.928 1.00 0.00 C ATOM 848 CG ASN A 58 12.227 -4.283 -3.509 1.00 0.00 C ATOM 849 OD1 ASN A 58 12.833 -5.318 -3.233 1.00 0.00 O ATOM 850 ND2 ASN A 58 11.935 -3.359 -2.600 1.00 0.00 N ATOM 0 H ASN A 58 8.787 -4.661 -5.149 1.00 0.00 H new ATOM 0 HA ASN A 58 10.564 -4.844 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.643 -3.937 -5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.277 -3.031 -4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.215 -3.493 -1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.431 -2.516 -2.874 1.00 0.00 H new ATOM 857 N GLY A 59 10.712 -7.482 -5.190 1.00 0.00 N ATOM 858 CA GLY A 59 11.257 -8.826 -5.134 1.00 0.00 C ATOM 859 C GLY A 59 11.748 -9.196 -3.748 1.00 0.00 C ATOM 860 O GLY A 59 12.674 -9.994 -3.604 1.00 0.00 O ATOM 0 H GLY A 59 9.705 -7.421 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.493 -9.538 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.081 -8.910 -5.842 1.00 0.00 H new ATOM 864 N GLN A 60 11.127 -8.614 -2.728 1.00 0.00 N ATOM 865 CA GLN A 60 11.509 -8.885 -1.347 1.00 0.00 C ATOM 866 C GLN A 60 10.293 -9.270 -0.511 1.00 0.00 C ATOM 867 O GLN A 60 9.196 -8.739 -0.686 1.00 0.00 O ATOM 868 CB GLN A 60 12.197 -7.663 -0.736 1.00 0.00 C ATOM 869 CG GLN A 60 13.613 -7.444 -1.244 1.00 0.00 C ATOM 870 CD GLN A 60 14.073 -6.008 -1.088 1.00 0.00 C ATOM 871 OE1 GLN A 60 13.347 -5.165 -0.561 1.00 0.00 O ATOM 872 NE2 GLN A 60 15.285 -5.721 -1.547 1.00 0.00 N ATOM 0 H GLN A 60 10.358 -7.952 -2.831 1.00 0.00 H new ATOM 0 HA GLN A 60 12.206 -9.723 -1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.601 -6.776 -0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.222 -7.775 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.295 -8.101 -0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.665 -7.726 -2.296 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.854 -6.451 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.648 -4.771 -1.470 1.00 0.00 H new ATOM 881 N PRO A 61 10.489 -10.216 0.419 1.00 0.00 N ATOM 882 CA PRO A 61 9.419 -10.692 1.301 1.00 0.00 C ATOM 883 C PRO A 61 8.995 -9.640 2.319 1.00 0.00 C ATOM 884 O PRO A 61 9.795 -9.204 3.147 1.00 0.00 O ATOM 885 CB PRO A 61 10.050 -11.895 2.007 1.00 0.00 C ATOM 886 CG PRO A 61 11.516 -11.630 1.968 1.00 0.00 C ATOM 887 CD PRO A 61 11.770 -10.892 0.683 1.00 0.00 C ATOM 0 HA PRO A 61 8.512 -10.933 0.747 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.691 -11.986 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.802 -12.827 1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.828 -11.036 2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.082 -12.561 2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.588 -10.178 0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.039 -11.573 -0.125 1.00 0.00 H new ATOM 895 N VAL A 62 7.730 -9.235 2.253 1.00 0.00 N ATOM 896 CA VAL A 62 7.199 -8.234 3.171 1.00 0.00 C ATOM 897 C VAL A 62 6.986 -8.822 4.562 1.00 0.00 C ATOM 898 O VAL A 62 6.948 -8.096 5.555 1.00 0.00 O ATOM 899 CB VAL A 62 5.866 -7.655 2.660 1.00 0.00 C ATOM 900 CG1 VAL A 62 6.056 -6.995 1.304 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.806 -8.744 2.589 1.00 0.00 C ATOM 0 H VAL A 62 7.054 -9.585 1.574 1.00 0.00 H new ATOM 0 HA VAL A 62 7.936 -7.433 3.228 1.00 0.00 H new ATOM 0 HB VAL A 62 5.526 -6.894 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.104 -6.592 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.782 -6.187 1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.419 -7.733 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.871 -8.318 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.136 -9.529 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.651 -9.166 3.582 1.00 0.00 H new ATOM 911 N GLY A 63 6.847 -10.143 4.625 1.00 0.00 N ATOM 912 CA GLY A 63 6.640 -10.806 5.899 1.00 0.00 C ATOM 913 C GLY A 63 5.200 -10.728 6.366 1.00 0.00 C ATOM 914 O GLY A 63 4.286 -10.567 5.557 1.00 0.00 O ATOM 0 H GLY A 63 6.874 -10.765 3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.935 -11.852 5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.287 -10.353 6.650 1.00 0.00 H new ATOM 918 N SER A 64 4.996 -10.845 7.674 1.00 0.00 N ATOM 919 CA SER A 64 3.656 -10.793 8.247 1.00 0.00 C ATOM 920 C SER A 64 3.589 -9.773 9.379 1.00 0.00 C ATOM 921 O SER A 64 2.784 -9.905 10.301 1.00 0.00 O ATOM 922 CB SER A 64 3.245 -12.173 8.763 1.00 0.00 C ATOM 923 OG SER A 64 2.655 -12.948 7.733 1.00 0.00 O ATOM 0 H SER A 64 5.742 -10.976 8.357 1.00 0.00 H new ATOM 0 HA SER A 64 2.964 -10.486 7.463 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.118 -12.692 9.158 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.541 -12.062 9.587 1.00 0.00 H new ATOM 0 HG SER A 64 2.403 -13.826 8.088 1.00 0.00 H new ATOM 929 N ASP A 65 4.439 -8.755 9.302 1.00 0.00 N ATOM 930 CA ASP A 65 4.477 -7.711 10.319 1.00 0.00 C ATOM 931 C ASP A 65 4.338 -6.330 9.685 1.00 0.00 C ATOM 932 O ASP A 65 5.092 -5.953 8.788 1.00 0.00 O ATOM 933 CB ASP A 65 5.781 -7.792 11.115 1.00 0.00 C ATOM 934 CG ASP A 65 5.876 -9.059 11.942 1.00 0.00 C ATOM 935 OD1 ASP A 65 5.361 -9.066 13.079 1.00 0.00 O ATOM 936 OD2 ASP A 65 6.467 -10.044 11.451 1.00 0.00 O ATOM 0 H ASP A 65 5.111 -8.631 8.545 1.00 0.00 H new ATOM 0 HA ASP A 65 3.637 -7.866 10.996 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.626 -7.746 10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.857 -6.926 11.772 1.00 0.00 H new ATOM 941 N PRO A 66 3.351 -5.557 10.161 1.00 0.00 N ATOM 942 CA PRO A 66 3.089 -4.206 9.655 1.00 0.00 C ATOM 943 C PRO A 66 4.184 -3.219 10.046 1.00 0.00 C ATOM 944 O PRO A 66 4.702 -2.486 9.203 1.00 0.00 O ATOM 945 CB PRO A 66 1.764 -3.828 10.322 1.00 0.00 C ATOM 946 CG PRO A 66 1.716 -4.652 11.562 1.00 0.00 C ATOM 947 CD PRO A 66 2.414 -5.942 11.230 1.00 0.00 C ATOM 0 HA PRO A 66 3.056 -4.177 8.566 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.726 -2.763 10.552 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.917 -4.043 9.670 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.211 -4.142 12.389 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.686 -4.834 11.870 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.937 -6.350 12.095 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.711 -6.704 10.893 1.00 0.00 H new ATOM 955 N ARG A 67 4.531 -3.205 11.329 1.00 0.00 N ATOM 956 CA ARG A 67 5.563 -2.307 11.831 1.00 0.00 C ATOM 957 C ARG A 67 6.928 -2.671 11.254 1.00 0.00 C ATOM 958 O ARG A 67 7.892 -1.918 11.391 1.00 0.00 O ATOM 959 CB ARG A 67 5.614 -2.357 13.359 1.00 0.00 C ATOM 960 CG ARG A 67 4.256 -2.189 14.020 1.00 0.00 C ATOM 961 CD ARG A 67 4.186 -2.927 15.347 1.00 0.00 C ATOM 962 NE ARG A 67 3.206 -2.333 16.253 1.00 0.00 N ATOM 963 CZ ARG A 67 3.108 -2.649 17.539 1.00 0.00 C ATOM 964 NH1 ARG A 67 3.927 -3.548 18.069 1.00 0.00 N ATOM 965 NH2 ARG A 67 2.191 -2.065 18.300 1.00 0.00 N ATOM 0 H ARG A 67 4.112 -3.806 12.039 1.00 0.00 H new ATOM 0 HA ARG A 67 5.312 -1.294 11.516 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.044 -3.310 13.669 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.282 -1.574 13.717 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.057 -1.129 14.181 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.478 -2.562 13.354 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.928 -3.971 15.168 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.168 -2.918 15.819 1.00 0.00 H new ATOM 0 HE ARG A 67 2.562 -1.637 15.877 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.634 -3.998 17.488 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.849 -3.789 19.057 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.560 -1.372 17.897 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.117 -2.309 19.288 1.00 0.00 H new ATOM 979 N ALA A 68 7.002 -3.830 10.609 1.00 0.00 N ATOM 980 CA ALA A 68 8.248 -4.293 10.010 1.00 0.00 C ATOM 981 C ALA A 68 8.245 -4.075 8.500 1.00 0.00 C ATOM 982 O ALA A 68 9.288 -4.154 7.850 1.00 0.00 O ATOM 983 CB ALA A 68 8.475 -5.762 10.332 1.00 0.00 C ATOM 0 H ALA A 68 6.214 -4.466 10.488 1.00 0.00 H new ATOM 0 HA ALA A 68 9.065 -3.709 10.434 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.409 -6.094 9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.530 -5.893 11.413 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.649 -6.353 9.936 1.00 0.00 H new ATOM 989 N LEU A 69 7.068 -3.801 7.949 1.00 0.00 N ATOM 990 CA LEU A 69 6.930 -3.572 6.515 1.00 0.00 C ATOM 991 C LEU A 69 7.084 -2.091 6.182 1.00 0.00 C ATOM 992 O LEU A 69 7.722 -1.731 5.194 1.00 0.00 O ATOM 993 CB LEU A 69 5.571 -4.077 6.027 1.00 0.00 C ATOM 994 CG LEU A 69 5.072 -3.490 4.706 1.00 0.00 C ATOM 995 CD1 LEU A 69 5.876 -4.040 3.539 1.00 0.00 C ATOM 996 CD2 LEU A 69 3.590 -3.781 4.520 1.00 0.00 C ATOM 0 H LEU A 69 6.196 -3.732 8.473 1.00 0.00 H new ATOM 0 HA LEU A 69 7.721 -4.124 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.625 -5.161 5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.830 -3.867 6.798 1.00 0.00 H new ATOM 0 HG LEU A 69 5.209 -2.409 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.506 -3.611 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.927 -3.780 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.772 -5.125 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.252 -3.356 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.429 -4.859 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.026 -3.337 5.340 1.00 0.00 H new ATOM 1008 N GLN A 70 6.497 -1.239 7.016 1.00 0.00 N ATOM 1009 CA GLN A 70 6.571 0.203 6.811 1.00 0.00 C ATOM 1010 C GLN A 70 8.009 0.697 6.930 1.00 0.00 C ATOM 1011 O GLN A 70 8.350 1.770 6.433 1.00 0.00 O ATOM 1012 CB GLN A 70 5.684 0.930 7.823 1.00 0.00 C ATOM 1013 CG GLN A 70 4.201 0.654 7.640 1.00 0.00 C ATOM 1014 CD GLN A 70 3.423 0.760 8.938 1.00 0.00 C ATOM 1015 OE1 GLN A 70 2.624 -0.117 9.269 1.00 0.00 O ATOM 1016 NE2 GLN A 70 3.654 1.836 9.680 1.00 0.00 N ATOM 0 H GLN A 70 5.965 -1.522 7.839 1.00 0.00 H new ATOM 0 HA GLN A 70 6.214 0.420 5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.979 0.635 8.830 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.858 2.003 7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.791 1.358 6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.070 -0.344 7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.325 2.537 9.366 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.161 1.962 10.564 1.00 0.00 H new ATOM 1025 N GLU A 71 8.848 -0.094 7.592 1.00 0.00 N ATOM 1026 CA GLU A 71 10.250 0.265 7.777 1.00 0.00 C ATOM 1027 C GLU A 71 11.095 -0.219 6.602 1.00 0.00 C ATOM 1028 O GLU A 71 12.096 0.404 6.245 1.00 0.00 O ATOM 1029 CB GLU A 71 10.783 -0.329 9.082 1.00 0.00 C ATOM 1030 CG GLU A 71 11.389 -1.713 8.918 1.00 0.00 C ATOM 1031 CD GLU A 71 11.936 -2.268 10.219 1.00 0.00 C ATOM 1032 OE1 GLU A 71 11.130 -2.740 11.048 1.00 0.00 O ATOM 1033 OE2 GLU A 71 13.170 -2.230 10.409 1.00 0.00 O ATOM 0 H GLU A 71 8.582 -0.986 8.009 1.00 0.00 H new ATOM 0 HA GLU A 71 10.317 1.352 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.536 0.342 9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.970 -0.381 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.632 -2.393 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.190 -1.670 8.180 1.00 0.00 H new ATOM 1040 N LEU A 72 10.686 -1.333 6.007 1.00 0.00 N ATOM 1041 CA LEU A 72 11.404 -1.903 4.872 1.00 0.00 C ATOM 1042 C LEU A 72 11.437 -0.925 3.702 1.00 0.00 C ATOM 1043 O LEU A 72 12.445 -0.809 3.003 1.00 0.00 O ATOM 1044 CB LEU A 72 10.752 -3.216 4.436 1.00 0.00 C ATOM 1045 CG LEU A 72 9.708 -3.110 3.324 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.379 -2.841 1.986 1.00 0.00 C ATOM 1047 CD2 LEU A 72 8.869 -4.378 3.256 1.00 0.00 C ATOM 0 H LEU A 72 9.860 -1.860 6.291 1.00 0.00 H new ATOM 0 HA LEU A 72 12.429 -2.101 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.537 -3.896 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.281 -3.671 5.307 1.00 0.00 H new ATOM 0 HG LEU A 72 9.047 -2.273 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.620 -2.769 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.935 -1.905 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.063 -3.656 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.132 -4.284 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.516 -5.232 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.358 -4.528 4.207 1.00 0.00 H new ATOM 1059 N LEU A 73 10.329 -0.222 3.494 1.00 0.00 N ATOM 1060 CA LEU A 73 10.231 0.749 2.410 1.00 0.00 C ATOM 1061 C LEU A 73 11.129 1.954 2.674 1.00 0.00 C ATOM 1062 O LEU A 73 11.847 2.412 1.785 1.00 0.00 O ATOM 1063 CB LEU A 73 8.782 1.207 2.238 1.00 0.00 C ATOM 1064 CG LEU A 73 7.806 0.160 1.701 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.404 0.412 2.234 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.808 0.160 0.179 1.00 0.00 C ATOM 0 H LEU A 73 9.486 -0.306 4.062 1.00 0.00 H new ATOM 0 HA LEU A 73 10.564 0.265 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.415 1.555 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.771 2.064 1.565 1.00 0.00 H new ATOM 0 HG LEU A 73 8.132 -0.822 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.724 -0.343 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.414 0.360 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.068 1.401 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.108 -0.591 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.508 1.143 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.810 -0.071 -0.184 1.00 0.00 H new ATOM 1078 N ARG A 74 11.084 2.460 3.902 1.00 0.00 N ATOM 1079 CA ARG A 74 11.894 3.611 4.284 1.00 0.00 C ATOM 1080 C ARG A 74 13.277 3.540 3.641 1.00 0.00 C ATOM 1081 O ARG A 74 13.744 4.507 3.042 1.00 0.00 O ATOM 1082 CB ARG A 74 12.031 3.683 5.805 1.00 0.00 C ATOM 1083 CG ARG A 74 12.757 4.926 6.293 1.00 0.00 C ATOM 1084 CD ARG A 74 12.456 5.209 7.757 1.00 0.00 C ATOM 1085 NE ARG A 74 13.175 6.381 8.247 1.00 0.00 N ATOM 1086 CZ ARG A 74 14.483 6.398 8.479 1.00 0.00 C ATOM 1087 NH1 ARG A 74 15.211 5.310 8.265 1.00 0.00 N ATOM 1088 NH2 ARG A 74 15.066 7.504 8.924 1.00 0.00 N ATOM 0 H ARG A 74 10.496 2.091 4.649 1.00 0.00 H new ATOM 0 HA ARG A 74 11.392 4.511 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.038 3.654 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.565 2.800 6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.831 4.797 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.461 5.783 5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.384 5.362 7.884 1.00 0.00 H new ATOM 0 HD3 ARG A 74 12.727 4.340 8.357 1.00 0.00 H new ATOM 0 HE ARG A 74 12.644 7.234 8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.767 4.458 7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.215 5.325 8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 74 14.510 8.343 9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.070 7.515 9.102 1.00 0.00 H new ATOM 1102 N ASN A 75 13.925 2.387 3.771 1.00 0.00 N ATOM 1103 CA ASN A 75 15.254 2.189 3.204 1.00 0.00 C ATOM 1104 C ASN A 75 15.188 2.088 1.683 1.00 0.00 C ATOM 1105 O ASN A 75 15.948 2.746 0.974 1.00 0.00 O ATOM 1106 CB ASN A 75 15.896 0.926 3.783 1.00 0.00 C ATOM 1107 CG ASN A 75 16.002 0.972 5.295 1.00 0.00 C ATOM 1108 OD1 ASN A 75 17.038 1.346 5.844 1.00 0.00 O ATOM 1109 ND2 ASN A 75 14.927 0.591 5.975 1.00 0.00 N ATOM 0 H ASN A 75 13.552 1.576 4.264 1.00 0.00 H new ATOM 0 HA ASN A 75 15.865 3.052 3.467 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.309 0.056 3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.891 0.799 3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.939 0.601 6.995 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.090 0.288 5.477 1.00 0.00 H new ATOM 1116 N ALA A 76 14.272 1.260 1.190 1.00 0.00 N ATOM 1117 CA ALA A 76 14.104 1.075 -0.246 1.00 0.00 C ATOM 1118 C ALA A 76 14.163 2.410 -0.982 1.00 0.00 C ATOM 1119 O ALA A 76 13.300 3.268 -0.800 1.00 0.00 O ATOM 1120 CB ALA A 76 12.789 0.367 -0.536 1.00 0.00 C ATOM 0 H ALA A 76 13.635 0.707 1.764 1.00 0.00 H new ATOM 0 HA ALA A 76 14.925 0.455 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.676 0.235 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.786 -0.608 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.962 0.966 -0.155 1.00 0.00 H new ATOM 1126 N SER A 77 15.187 2.577 -1.813 1.00 0.00 N ATOM 1127 CA SER A 77 15.361 3.809 -2.573 1.00 0.00 C ATOM 1128 C SER A 77 15.303 3.535 -4.073 1.00 0.00 C ATOM 1129 O SER A 77 15.482 2.401 -4.515 1.00 0.00 O ATOM 1130 CB SER A 77 16.693 4.471 -2.215 1.00 0.00 C ATOM 1131 OG SER A 77 16.809 5.746 -2.823 1.00 0.00 O ATOM 0 H SER A 77 15.908 1.875 -1.977 1.00 0.00 H new ATOM 0 HA SER A 77 14.546 4.485 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.773 4.572 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.517 3.835 -2.537 1.00 0.00 H new ATOM 0 HG SER A 77 17.724 6.080 -2.712 1.00 0.00 H new ATOM 1137 N GLY A 78 15.050 4.584 -4.850 1.00 0.00 N ATOM 1138 CA GLY A 78 14.972 4.436 -6.292 1.00 0.00 C ATOM 1139 C GLY A 78 13.644 3.865 -6.746 1.00 0.00 C ATOM 1140 O GLY A 78 12.622 4.050 -6.084 1.00 0.00 O ATOM 0 H GLY A 78 14.898 5.533 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.126 5.407 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.778 3.786 -6.631 1.00 0.00 H new ATOM 1144 N SER A 79 13.656 3.169 -7.878 1.00 0.00 N ATOM 1145 CA SER A 79 12.442 2.573 -8.423 1.00 0.00 C ATOM 1146 C SER A 79 12.027 1.348 -7.613 1.00 0.00 C ATOM 1147 O SER A 79 12.556 0.254 -7.806 1.00 0.00 O ATOM 1148 CB SER A 79 12.652 2.183 -9.887 1.00 0.00 C ATOM 1149 OG SER A 79 11.498 1.555 -10.418 1.00 0.00 O ATOM 0 H SER A 79 14.494 3.004 -8.436 1.00 0.00 H new ATOM 0 HA SER A 79 11.645 3.314 -8.363 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.889 3.071 -10.473 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.506 1.511 -9.969 1.00 0.00 H new ATOM 0 HG SER A 79 11.657 1.317 -11.355 1.00 0.00 H new ATOM 1155 N VAL A 80 11.076 1.541 -6.704 1.00 0.00 N ATOM 1156 CA VAL A 80 10.589 0.454 -5.865 1.00 0.00 C ATOM 1157 C VAL A 80 9.276 -0.107 -6.400 1.00 0.00 C ATOM 1158 O VAL A 80 8.407 0.641 -6.850 1.00 0.00 O ATOM 1159 CB VAL A 80 10.382 0.917 -4.410 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.941 -0.248 -3.536 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.654 1.550 -3.867 1.00 0.00 C ATOM 0 H VAL A 80 10.628 2.441 -6.530 1.00 0.00 H new ATOM 0 HA VAL A 80 11.350 -0.327 -5.885 1.00 0.00 H new ATOM 0 HB VAL A 80 9.594 1.670 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.800 0.098 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.002 -0.652 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.704 -1.026 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.490 1.871 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.464 0.821 -3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.921 2.412 -4.478 1.00 0.00 H new ATOM 1171 N ILE A 81 9.138 -1.428 -6.347 1.00 0.00 N ATOM 1172 CA ILE A 81 7.930 -2.089 -6.825 1.00 0.00 C ATOM 1173 C ILE A 81 7.150 -2.710 -5.671 1.00 0.00 C ATOM 1174 O ILE A 81 7.735 -3.250 -4.731 1.00 0.00 O ATOM 1175 CB ILE A 81 8.258 -3.184 -7.856 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.691 -2.555 -9.181 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.056 -4.094 -8.063 1.00 0.00 C ATOM 1178 CD1 ILE A 81 9.817 -1.555 -9.035 1.00 0.00 C ATOM 0 H ILE A 81 9.848 -2.061 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 81 7.319 -1.323 -7.303 1.00 0.00 H new ATOM 0 HB ILE A 81 9.083 -3.785 -7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.003 -3.345 -9.864 1.00 0.00 H new ATOM 0 HG13 ILE A 81 7.833 -2.060 -9.637 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.304 -4.863 -8.795 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.789 -4.565 -7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.213 -3.506 -8.426 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.072 -1.149 -10.014 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.501 -0.745 -8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.690 -2.049 -8.608 1.00 0.00 H new ATOM 1190 N LEU A 82 5.826 -2.630 -5.748 1.00 0.00 N ATOM 1191 CA LEU A 82 4.964 -3.186 -4.711 1.00 0.00 C ATOM 1192 C LEU A 82 3.863 -4.047 -5.322 1.00 0.00 C ATOM 1193 O LEU A 82 3.066 -3.572 -6.131 1.00 0.00 O ATOM 1194 CB LEU A 82 4.346 -2.063 -3.877 1.00 0.00 C ATOM 1195 CG LEU A 82 5.283 -1.367 -2.889 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.818 0.057 -2.625 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.365 -2.152 -1.589 1.00 0.00 C ATOM 0 H LEU A 82 5.326 -2.185 -6.518 1.00 0.00 H new ATOM 0 HA LEU A 82 5.575 -3.816 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.944 -1.312 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.503 -2.473 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 82 6.279 -1.327 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.497 0.537 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.811 0.617 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.812 0.039 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.036 -1.642 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.372 -2.224 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.745 -3.153 -1.792 1.00 0.00 H new ATOM 1209 N LYS A 83 3.822 -5.315 -4.927 1.00 0.00 N ATOM 1210 CA LYS A 83 2.817 -6.242 -5.432 1.00 0.00 C ATOM 1211 C LYS A 83 1.588 -6.258 -4.528 1.00 0.00 C ATOM 1212 O LYS A 83 1.645 -6.740 -3.396 1.00 0.00 O ATOM 1213 CB LYS A 83 3.402 -7.652 -5.539 1.00 0.00 C ATOM 1214 CG LYS A 83 2.730 -8.510 -6.597 1.00 0.00 C ATOM 1215 CD LYS A 83 3.567 -9.731 -6.939 1.00 0.00 C ATOM 1216 CE LYS A 83 3.214 -10.283 -8.312 1.00 0.00 C ATOM 1217 NZ LYS A 83 4.021 -11.487 -8.651 1.00 0.00 N ATOM 0 H LYS A 83 4.474 -5.724 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 83 2.513 -5.905 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.466 -7.579 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.314 -8.147 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.750 -8.828 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.565 -7.917 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.624 -9.467 -6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.412 -10.502 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.154 -10.537 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.377 -9.513 -9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.750 -11.832 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.031 -11.239 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.846 -12.232 -7.946 1.00 0.00 H new ATOM 1231 N ILE A 84 0.479 -5.729 -5.034 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.763 -5.685 -4.273 1.00 0.00 C ATOM 1233 C ILE A 84 -1.768 -6.703 -4.802 1.00 0.00 C ATOM 1234 O ILE A 84 -1.679 -7.141 -5.949 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.399 -4.283 -4.313 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.327 -3.208 -4.125 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.475 -4.159 -3.245 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.167 -3.090 -2.701 1.00 0.00 C ATOM 0 H ILE A 84 0.416 -5.325 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.510 -5.930 -3.242 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.865 -4.139 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.518 -3.431 -4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.729 -2.246 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.915 -3.163 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.250 -4.905 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.032 -4.320 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.925 -2.309 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.667 -2.836 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.600 -4.040 -2.386 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.725 -7.074 -3.958 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.750 -8.039 -4.341 1.00 0.00 C ATOM 1252 C LEU A 85 -5.077 -7.723 -3.659 1.00 0.00 C ATOM 1253 O LEU A 85 -5.195 -7.812 -2.437 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.303 -9.457 -3.980 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.550 -10.221 -5.070 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -1.053 -9.981 -4.952 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.862 -11.708 -4.991 1.00 0.00 C ATOM 0 H LEU A 85 -2.812 -6.722 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.892 -7.973 -5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.666 -9.402 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.185 -10.035 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.881 -9.852 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.533 -10.532 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.846 -8.916 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.706 -10.322 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.318 -12.236 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.560 -12.092 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.933 -11.863 -5.126 1.00 0.00 H new ATOM 1269 N SER A 86 -6.074 -7.356 -4.458 1.00 0.00 N ATOM 1270 CA SER A 86 -7.393 -7.025 -3.931 1.00 0.00 C ATOM 1271 C SER A 86 -7.896 -8.121 -2.997 1.00 0.00 C ATOM 1272 O SER A 86 -8.331 -7.848 -1.879 1.00 0.00 O ATOM 1273 CB SER A 86 -8.386 -6.821 -5.077 1.00 0.00 C ATOM 1274 OG SER A 86 -9.543 -6.134 -4.632 1.00 0.00 O ATOM 0 H SER A 86 -5.994 -7.280 -5.472 1.00 0.00 H new ATOM 0 HA SER A 86 -7.308 -6.099 -3.363 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.910 -6.257 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.670 -7.788 -5.493 1.00 0.00 H new ATOM 0 HG SER A 86 -10.161 -6.014 -5.383 1.00 0.00 H new