USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 592 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 5 TYR OH : rot 166:sc= 0 USER MOD Set 1.2: A 72 HIS : no HE2:sc= -0.232 K(o=-0.23,f=-5!) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0.207 USER MOD Set 2.2: A 21 ASN : amide:sc= 1.19 K(o=1.4,f=-2.2!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0567 (180deg=-0.387) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -116:sc= 0.0937 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.21) USER MOD Single : A 13 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 15 LYS NZ :NH3+ -108:sc= 0.881 (180deg=0.34) USER MOD Single : A 16 CYS SG : rot -70:sc= -0.683 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.839 USER MOD Single : A 34 SER OG : rot 64:sc= 1.24 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0.997) USER MOD Single : A 38 ASN : amide:sc= 1.21 K(o=1.2,f=-0.24) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 0.108 (180deg=-0.402) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0.841 (180deg=0.716) USER MOD Single : A 53 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.1!) USER MOD Single : A 58 ASN : amide:sc= -0.533 K(o=-0.53,f=-4.6!) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.252 F(o=-3.7!,f=-0.25) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -166:sc= 1.19 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.0229 (180deg=-0.272) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 22.549 16.737 -8.064 1.00 0.00 N ATOM 2 CA GLY A -1 21.228 17.283 -7.799 1.00 0.00 C ATOM 3 C GLY A -1 20.494 16.425 -6.815 1.00 0.00 C ATOM 4 O GLY A -1 20.795 15.234 -6.678 1.00 0.00 O ATOM 0 H1 GLY A -1 23.274 17.407 -7.737 1.00 0.00 H new ATOM 0 H2 GLY A -1 22.659 15.834 -7.560 1.00 0.00 H new ATOM 0 H3 GLY A -1 22.661 16.578 -9.086 1.00 0.00 H new ATOM 0 HA2 GLY A -1 21.318 18.297 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A -1 20.661 17.347 -8.728 1.00 0.00 H new ATOM 8 N SER A 0 19.557 17.000 -6.117 1.00 0.00 N ATOM 9 CA SER A 0 18.792 16.269 -5.156 1.00 0.00 C ATOM 10 C SER A 0 17.507 15.773 -5.797 1.00 0.00 C ATOM 11 O SER A 0 16.692 16.572 -6.257 1.00 0.00 O ATOM 12 CB SER A 0 18.491 17.176 -3.974 1.00 0.00 C ATOM 13 OG SER A 0 19.704 17.697 -3.432 1.00 0.00 O ATOM 0 H SER A 0 19.305 17.985 -6.200 1.00 0.00 H new ATOM 0 HA SER A 0 19.355 15.404 -4.806 1.00 0.00 H new ATOM 0 HB2 SER A 0 17.844 17.994 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 0 17.951 16.620 -3.208 1.00 0.00 H new ATOM 0 HG SER A 0 19.499 18.281 -2.672 1.00 0.00 H new ATOM 19 N MET A 1 17.348 14.471 -5.868 1.00 0.00 N ATOM 20 CA MET A 1 16.159 13.885 -6.439 1.00 0.00 C ATOM 21 C MET A 1 15.115 13.728 -5.352 1.00 0.00 C ATOM 22 O MET A 1 15.069 12.719 -4.642 1.00 0.00 O ATOM 23 CB MET A 1 16.455 12.532 -7.115 1.00 0.00 C ATOM 24 CG MET A 1 15.221 11.863 -7.727 1.00 0.00 C ATOM 25 SD MET A 1 15.563 10.251 -8.476 1.00 0.00 S ATOM 26 CE MET A 1 16.692 10.713 -9.790 1.00 0.00 C ATOM 0 H MET A 1 18.034 13.794 -5.534 1.00 0.00 H new ATOM 0 HA MET A 1 15.782 14.549 -7.217 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.200 12.682 -7.896 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.895 11.858 -6.380 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.464 11.741 -6.953 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.799 12.523 -8.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.770 9.896 -10.507 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.318 11.604 -10.295 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.675 10.921 -9.368 1.00 0.00 H new ATOM 36 N SER A 2 14.335 14.748 -5.178 1.00 0.00 N ATOM 37 CA SER A 2 13.315 14.767 -4.182 1.00 0.00 C ATOM 38 C SER A 2 11.945 14.763 -4.859 1.00 0.00 C ATOM 39 O SER A 2 11.448 15.800 -5.314 1.00 0.00 O ATOM 40 CB SER A 2 13.508 15.994 -3.295 1.00 0.00 C ATOM 41 OG SER A 2 14.830 16.007 -2.746 1.00 0.00 O ATOM 0 H SER A 2 14.391 15.602 -5.733 1.00 0.00 H new ATOM 0 HA SER A 2 13.377 13.880 -3.551 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.339 16.901 -3.875 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.773 15.989 -2.490 1.00 0.00 H new ATOM 0 HG SER A 2 14.942 16.800 -2.181 1.00 0.00 H new ATOM 47 N TYR A 3 11.385 13.590 -4.984 1.00 0.00 N ATOM 48 CA TYR A 3 10.119 13.392 -5.641 1.00 0.00 C ATOM 49 C TYR A 3 9.150 12.649 -4.746 1.00 0.00 C ATOM 50 O TYR A 3 9.450 11.559 -4.265 1.00 0.00 O ATOM 51 CB TYR A 3 10.306 12.610 -6.938 1.00 0.00 C ATOM 52 CG TYR A 3 10.799 13.409 -8.124 1.00 0.00 C ATOM 53 CD1 TYR A 3 9.896 13.905 -9.050 1.00 0.00 C ATOM 54 CD2 TYR A 3 12.147 13.625 -8.348 1.00 0.00 C ATOM 55 CE1 TYR A 3 10.312 14.590 -10.163 1.00 0.00 C ATOM 56 CE2 TYR A 3 12.575 14.324 -9.458 1.00 0.00 C ATOM 57 CZ TYR A 3 11.647 14.800 -10.363 1.00 0.00 C ATOM 58 OH TYR A 3 12.064 15.457 -11.484 1.00 0.00 O ATOM 0 H TYR A 3 11.802 12.730 -4.627 1.00 0.00 H new ATOM 0 HA TYR A 3 9.708 14.376 -5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.010 11.799 -6.753 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.354 12.151 -7.204 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.839 13.749 -8.892 1.00 0.00 H new ATOM 0 HD2 TYR A 3 12.873 13.242 -7.646 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.590 14.960 -10.876 1.00 0.00 H new ATOM 0 HE2 TYR A 3 13.629 14.498 -9.618 1.00 0.00 H new ATOM 0 HH TYR A 3 13.041 15.527 -11.478 1.00 0.00 H new ATOM 68 N ASP A 4 8.019 13.254 -4.526 1.00 0.00 N ATOM 69 CA ASP A 4 6.914 12.711 -3.755 1.00 0.00 C ATOM 70 C ASP A 4 5.805 13.696 -4.001 1.00 0.00 C ATOM 71 O ASP A 4 6.086 14.783 -4.526 1.00 0.00 O ATOM 72 CB ASP A 4 7.262 12.684 -2.239 1.00 0.00 C ATOM 73 CG ASP A 4 6.264 11.921 -1.372 1.00 0.00 C ATOM 74 OD1 ASP A 4 5.152 12.427 -1.119 1.00 0.00 O ATOM 75 OD2 ASP A 4 6.605 10.821 -0.884 1.00 0.00 O ATOM 0 H ASP A 4 7.823 14.185 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 4 6.665 11.688 -4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.248 12.237 -2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.329 13.710 -1.876 1.00 0.00 H new ATOM 80 N TYR A 5 4.579 13.396 -3.651 1.00 0.00 N ATOM 81 CA TYR A 5 3.538 14.382 -3.856 1.00 0.00 C ATOM 82 C TYR A 5 3.543 15.392 -2.724 1.00 0.00 C ATOM 83 O TYR A 5 2.725 16.279 -2.698 1.00 0.00 O ATOM 84 CB TYR A 5 2.134 13.771 -3.980 1.00 0.00 C ATOM 85 CG TYR A 5 1.904 12.894 -5.187 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.986 13.408 -6.478 1.00 0.00 C ATOM 87 CD2 TYR A 5 1.564 11.562 -5.037 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.737 12.611 -7.578 1.00 0.00 C ATOM 89 CE2 TYR A 5 1.321 10.764 -6.128 1.00 0.00 C ATOM 90 CZ TYR A 5 1.409 11.287 -7.394 1.00 0.00 C ATOM 91 OH TYR A 5 1.141 10.482 -8.483 1.00 0.00 O ATOM 0 H TYR A 5 4.280 12.513 -3.238 1.00 0.00 H new ATOM 0 HA TYR A 5 3.764 14.868 -4.805 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.933 13.184 -3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.406 14.582 -3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.248 14.446 -6.622 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.488 11.142 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.799 13.023 -8.574 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.061 9.725 -5.990 1.00 0.00 H new ATOM 0 HH TYR A 5 1.145 9.543 -8.204 1.00 0.00 H new ATOM 101 N SER A 6 4.499 15.270 -1.824 1.00 0.00 N ATOM 102 CA SER A 6 4.635 16.162 -0.700 1.00 0.00 C ATOM 103 C SER A 6 4.848 17.619 -1.162 1.00 0.00 C ATOM 104 O SER A 6 4.252 18.541 -0.598 1.00 0.00 O ATOM 105 CB SER A 6 5.772 15.691 0.218 1.00 0.00 C ATOM 106 OG SER A 6 5.850 16.477 1.395 1.00 0.00 O ATOM 0 H SER A 6 5.209 14.539 -1.857 1.00 0.00 H new ATOM 0 HA SER A 6 3.706 16.140 -0.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.615 14.646 0.487 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.719 15.743 -0.319 1.00 0.00 H new ATOM 0 HG SER A 6 6.582 16.151 1.958 1.00 0.00 H new ATOM 112 N SER A 7 5.656 17.821 -2.208 1.00 0.00 N ATOM 113 CA SER A 7 5.891 19.158 -2.749 1.00 0.00 C ATOM 114 C SER A 7 4.565 19.717 -3.278 1.00 0.00 C ATOM 115 O SER A 7 4.218 20.894 -3.055 1.00 0.00 O ATOM 116 CB SER A 7 6.937 19.105 -3.879 1.00 0.00 C ATOM 117 OG SER A 7 7.371 20.409 -4.256 1.00 0.00 O ATOM 0 H SER A 7 6.156 17.076 -2.694 1.00 0.00 H new ATOM 0 HA SER A 7 6.276 19.807 -1.963 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.794 18.516 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.512 18.598 -4.745 1.00 0.00 H new ATOM 0 HG SER A 7 8.035 20.338 -4.973 1.00 0.00 H new ATOM 123 N LEU A 8 3.807 18.840 -3.917 1.00 0.00 N ATOM 124 CA LEU A 8 2.505 19.161 -4.451 1.00 0.00 C ATOM 125 C LEU A 8 1.570 19.512 -3.334 1.00 0.00 C ATOM 126 O LEU A 8 0.932 20.550 -3.363 1.00 0.00 O ATOM 127 CB LEU A 8 1.953 17.977 -5.244 1.00 0.00 C ATOM 128 CG LEU A 8 0.521 18.108 -5.772 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.364 19.323 -6.671 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.119 16.844 -6.491 1.00 0.00 C ATOM 0 H LEU A 8 4.088 17.873 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 8 2.598 20.017 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.613 17.799 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.002 17.091 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.144 18.254 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.665 19.382 -7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.607 20.225 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.037 19.234 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.900 16.946 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.795 16.671 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.171 16.001 -5.802 1.00 0.00 H new ATOM 142 N LEU A 9 1.527 18.657 -2.339 1.00 0.00 N ATOM 143 CA LEU A 9 0.705 18.825 -1.203 1.00 0.00 C ATOM 144 C LEU A 9 1.010 20.148 -0.494 1.00 0.00 C ATOM 145 O LEU A 9 0.107 20.802 -0.008 1.00 0.00 O ATOM 146 CB LEU A 9 0.888 17.652 -0.254 1.00 0.00 C ATOM 147 CG LEU A 9 0.459 16.261 -0.751 1.00 0.00 C ATOM 148 CD1 LEU A 9 0.720 15.214 0.313 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.002 16.243 -1.162 1.00 0.00 C ATOM 0 H LEU A 9 2.087 17.805 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.335 18.856 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.942 17.601 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.333 17.869 0.659 1.00 0.00 H new ATOM 0 HG LEU A 9 1.056 16.026 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.411 14.236 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.784 15.193 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.153 15.459 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.270 15.245 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.624 16.510 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.163 16.961 -1.966 1.00 0.00 H new ATOM 161 N GLY A 10 2.282 20.532 -0.458 1.00 0.00 N ATOM 162 CA GLY A 10 2.681 21.813 0.120 1.00 0.00 C ATOM 163 C GLY A 10 2.053 22.981 -0.629 1.00 0.00 C ATOM 164 O GLY A 10 1.520 23.909 -0.024 1.00 0.00 O ATOM 0 H GLY A 10 3.055 19.975 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.384 21.849 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.767 21.903 0.093 1.00 0.00 H new ATOM 168 N LYS A 11 2.068 22.897 -1.950 1.00 0.00 N ATOM 169 CA LYS A 11 1.477 23.882 -2.807 1.00 0.00 C ATOM 170 C LYS A 11 -0.051 23.869 -2.632 1.00 0.00 C ATOM 171 O LYS A 11 -0.708 24.919 -2.611 1.00 0.00 O ATOM 172 CB LYS A 11 1.898 23.555 -4.239 1.00 0.00 C ATOM 173 CG LYS A 11 1.282 24.418 -5.298 1.00 0.00 C ATOM 174 CD LYS A 11 1.548 25.911 -5.080 1.00 0.00 C ATOM 175 CE LYS A 11 3.028 26.266 -5.154 1.00 0.00 C ATOM 176 NZ LYS A 11 3.248 27.712 -4.970 1.00 0.00 N ATOM 0 H LYS A 11 2.502 22.124 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 11 1.815 24.888 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.982 23.639 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.644 22.516 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.672 24.123 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.206 24.245 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.004 26.485 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.157 26.206 -4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.574 25.714 -4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.430 25.956 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.269 27.911 -4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.789 28.234 -5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.842 28.012 -4.061 1.00 0.00 H new ATOM 190 N ILE A 12 -0.594 22.686 -2.466 1.00 0.00 N ATOM 191 CA ILE A 12 -2.003 22.508 -2.200 1.00 0.00 C ATOM 192 C ILE A 12 -2.377 23.149 -0.857 1.00 0.00 C ATOM 193 O ILE A 12 -3.367 23.850 -0.761 1.00 0.00 O ATOM 194 CB ILE A 12 -2.398 21.004 -2.211 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.181 20.411 -3.611 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.836 20.811 -1.756 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.503 18.935 -3.724 1.00 0.00 C ATOM 0 H ILE A 12 -0.067 21.814 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.558 23.004 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.757 20.475 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.796 20.960 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.142 20.567 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.084 19.750 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.951 21.194 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.505 21.351 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.321 18.600 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.870 18.371 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.550 18.770 -3.469 1.00 0.00 H new ATOM 209 N THR A 13 -1.541 22.960 0.145 1.00 0.00 N ATOM 210 CA THR A 13 -1.768 23.500 1.488 1.00 0.00 C ATOM 211 C THR A 13 -1.748 25.042 1.464 1.00 0.00 C ATOM 212 O THR A 13 -2.391 25.711 2.268 1.00 0.00 O ATOM 213 CB THR A 13 -0.687 22.975 2.480 1.00 0.00 C ATOM 214 OG1 THR A 13 -0.616 21.530 2.404 1.00 0.00 O ATOM 215 CG2 THR A 13 -1.027 23.375 3.912 1.00 0.00 C ATOM 0 H THR A 13 -0.677 22.425 0.058 1.00 0.00 H new ATOM 0 HA THR A 13 -2.749 23.165 1.825 1.00 0.00 H new ATOM 0 HB THR A 13 0.271 23.415 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.020 21.270 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.259 22.998 4.587 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.073 24.462 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.993 22.952 4.188 1.00 0.00 H new ATOM 223 N GLU A 14 -1.056 25.566 0.497 1.00 0.00 N ATOM 224 CA GLU A 14 -0.870 26.954 0.325 1.00 0.00 C ATOM 225 C GLU A 14 -2.072 27.596 -0.326 1.00 0.00 C ATOM 226 O GLU A 14 -2.565 28.640 0.104 1.00 0.00 O ATOM 227 CB GLU A 14 0.312 27.104 -0.580 1.00 0.00 C ATOM 228 CG GLU A 14 0.689 28.503 -0.921 1.00 0.00 C ATOM 229 CD GLU A 14 1.841 28.539 -1.881 1.00 0.00 C ATOM 230 OE1 GLU A 14 1.630 28.680 -3.097 1.00 0.00 O ATOM 231 OE2 GLU A 14 2.983 28.386 -1.441 1.00 0.00 O ATOM 0 H GLU A 14 -0.591 25.005 -0.217 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.724 27.438 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.169 26.620 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.108 26.566 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.167 29.016 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.954 29.042 -0.012 1.00 0.00 H new ATOM 238 N LYS A 15 -2.533 26.978 -1.348 1.00 0.00 N ATOM 239 CA LYS A 15 -3.538 27.547 -2.160 1.00 0.00 C ATOM 240 C LYS A 15 -4.908 27.138 -1.751 1.00 0.00 C ATOM 241 O LYS A 15 -5.848 27.932 -1.783 1.00 0.00 O ATOM 242 CB LYS A 15 -3.295 27.127 -3.572 1.00 0.00 C ATOM 243 CG LYS A 15 -2.874 28.265 -4.473 1.00 0.00 C ATOM 244 CD LYS A 15 -1.526 28.821 -4.023 1.00 0.00 C ATOM 245 CE LYS A 15 -1.166 30.120 -4.719 1.00 0.00 C ATOM 246 NZ LYS A 15 -1.114 29.982 -6.179 1.00 0.00 N ATOM 0 H LYS A 15 -2.220 26.054 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.485 28.630 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.523 26.357 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.203 26.675 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.806 27.917 -5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.626 29.053 -4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.547 28.985 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.749 28.082 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.898 30.884 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.199 30.467 -4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.124 30.020 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.532 29.071 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.649 30.757 -6.620 1.00 0.00 H new ATOM 260 N CYS A 16 -5.026 25.936 -1.359 1.00 0.00 N ATOM 261 CA CYS A 16 -6.252 25.375 -1.073 1.00 0.00 C ATOM 262 C CYS A 16 -6.353 25.155 0.403 1.00 0.00 C ATOM 263 O CYS A 16 -7.324 25.540 1.028 1.00 0.00 O ATOM 264 CB CYS A 16 -6.327 24.068 -1.816 1.00 0.00 C ATOM 265 SG CYS A 16 -6.196 24.229 -3.609 1.00 0.00 S ATOM 0 H CYS A 16 -4.237 25.304 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.074 26.023 -1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.529 23.415 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.271 23.579 -1.574 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.273 24.789 -4.074 1.00 0.00 H new ATOM 271 N GLY A 17 -5.323 24.591 0.966 1.00 0.00 N ATOM 272 CA GLY A 17 -5.362 24.260 2.343 1.00 0.00 C ATOM 273 C GLY A 17 -5.068 22.818 2.587 1.00 0.00 C ATOM 274 O GLY A 17 -4.087 22.462 3.214 1.00 0.00 O ATOM 0 H GLY A 17 -4.454 24.355 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.639 24.872 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.346 24.501 2.745 1.00 0.00 H new ATOM 278 N THR A 18 -5.909 21.990 2.069 1.00 0.00 N ATOM 279 CA THR A 18 -5.823 20.554 2.265 1.00 0.00 C ATOM 280 C THR A 18 -6.185 19.857 0.971 1.00 0.00 C ATOM 281 O THR A 18 -6.562 20.523 -0.010 1.00 0.00 O ATOM 282 CB THR A 18 -6.815 20.088 3.359 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.158 20.314 2.909 1.00 0.00 O ATOM 284 CG2 THR A 18 -6.590 20.863 4.639 1.00 0.00 C ATOM 0 H THR A 18 -6.694 22.280 1.486 1.00 0.00 H new ATOM 0 HA THR A 18 -4.807 20.308 2.572 1.00 0.00 H new ATOM 0 HB THR A 18 -6.654 19.027 3.550 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.788 20.019 3.599 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.295 20.524 5.398 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.571 20.698 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.742 21.926 4.452 1.00 0.00 H new ATOM 292 N GLN A 19 -6.125 18.531 0.974 1.00 0.00 N ATOM 293 CA GLN A 19 -6.459 17.735 -0.199 1.00 0.00 C ATOM 294 C GLN A 19 -7.960 17.808 -0.474 1.00 0.00 C ATOM 295 O GLN A 19 -8.398 17.713 -1.618 1.00 0.00 O ATOM 296 CB GLN A 19 -6.023 16.286 0.001 1.00 0.00 C ATOM 297 CG GLN A 19 -4.535 16.137 0.271 1.00 0.00 C ATOM 298 CD GLN A 19 -4.119 14.702 0.486 1.00 0.00 C ATOM 299 OE1 GLN A 19 -3.757 14.005 -0.450 1.00 0.00 O ATOM 300 NE2 GLN A 19 -4.174 14.252 1.710 1.00 0.00 N ATOM 0 H GLN A 19 -5.845 17.980 1.785 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.927 18.139 -1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.581 15.858 0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.283 15.710 -0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.975 16.551 -0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.270 16.723 1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.482 14.865 2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.909 13.288 1.911 1.00 0.00 H new ATOM 309 N TYR A 20 -8.733 18.000 0.583 1.00 0.00 N ATOM 310 CA TYR A 20 -10.172 18.156 0.473 1.00 0.00 C ATOM 311 C TYR A 20 -10.459 19.436 -0.254 1.00 0.00 C ATOM 312 O TYR A 20 -11.152 19.459 -1.258 1.00 0.00 O ATOM 313 CB TYR A 20 -10.779 18.245 1.859 1.00 0.00 C ATOM 314 CG TYR A 20 -12.288 18.276 1.881 1.00 0.00 C ATOM 315 CD1 TYR A 20 -13.028 17.188 1.448 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.971 19.388 2.348 1.00 0.00 C ATOM 317 CE1 TYR A 20 -14.404 17.206 1.476 1.00 0.00 C ATOM 318 CE2 TYR A 20 -14.347 19.416 2.379 1.00 0.00 C ATOM 319 CZ TYR A 20 -15.059 18.322 1.941 1.00 0.00 C ATOM 320 OH TYR A 20 -16.441 18.340 1.976 1.00 0.00 O ATOM 0 H TYR A 20 -8.380 18.052 1.539 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.594 17.305 -0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.437 17.393 2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.403 19.143 2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.516 16.310 1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.414 20.247 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.966 16.349 1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.865 20.291 2.745 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.748 19.200 2.332 1.00 0.00 H new ATOM 330 N ASN A 21 -9.890 20.491 0.274 1.00 0.00 N ATOM 331 CA ASN A 21 -10.012 21.841 -0.279 1.00 0.00 C ATOM 332 C ASN A 21 -9.557 21.872 -1.732 1.00 0.00 C ATOM 333 O ASN A 21 -10.117 22.589 -2.537 1.00 0.00 O ATOM 334 CB ASN A 21 -9.137 22.806 0.491 1.00 0.00 C ATOM 335 CG ASN A 21 -9.513 23.044 1.953 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.141 22.218 2.597 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.076 24.152 2.491 1.00 0.00 N ATOM 0 H ASN A 21 -9.316 20.448 1.116 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.061 22.129 -0.205 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.111 22.439 0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.149 23.766 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.257 24.347 3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.554 24.822 1.926 1.00 0.00 H new ATOM 344 N PHE A 22 -8.500 21.119 -2.027 1.00 0.00 N ATOM 345 CA PHE A 22 -7.981 20.948 -3.395 1.00 0.00 C ATOM 346 C PHE A 22 -9.087 20.497 -4.299 1.00 0.00 C ATOM 347 O PHE A 22 -9.379 21.136 -5.314 1.00 0.00 O ATOM 348 CB PHE A 22 -6.903 19.874 -3.403 1.00 0.00 C ATOM 349 CG PHE A 22 -6.276 19.615 -4.754 1.00 0.00 C ATOM 350 CD1 PHE A 22 -6.593 18.471 -5.467 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.383 20.507 -5.306 1.00 0.00 C ATOM 352 CE1 PHE A 22 -6.030 18.220 -6.702 1.00 0.00 C ATOM 353 CE2 PHE A 22 -4.813 20.261 -6.544 1.00 0.00 C ATOM 354 CZ PHE A 22 -5.138 19.117 -7.241 1.00 0.00 C ATOM 0 H PHE A 22 -7.971 20.604 -1.323 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.573 21.899 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.118 20.161 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.334 18.943 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.293 17.763 -5.049 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.125 21.407 -4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.289 17.322 -7.243 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.112 20.967 -6.964 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.694 18.926 -8.207 1.00 0.00 H new ATOM 364 N ALA A 23 -9.691 19.387 -3.909 1.00 0.00 N ATOM 365 CA ALA A 23 -10.803 18.797 -4.629 1.00 0.00 C ATOM 366 C ALA A 23 -11.905 19.854 -4.851 1.00 0.00 C ATOM 367 O ALA A 23 -12.413 20.023 -5.970 1.00 0.00 O ATOM 368 CB ALA A 23 -11.363 17.612 -3.851 1.00 0.00 C ATOM 0 H ALA A 23 -9.419 18.866 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.450 18.444 -5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.197 17.177 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.584 16.861 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.709 17.949 -2.874 1.00 0.00 H new ATOM 374 N ILE A 24 -12.222 20.595 -3.776 1.00 0.00 N ATOM 375 CA ILE A 24 -13.216 21.664 -3.788 1.00 0.00 C ATOM 376 C ILE A 24 -12.863 22.726 -4.828 1.00 0.00 C ATOM 377 O ILE A 24 -13.670 23.047 -5.709 1.00 0.00 O ATOM 378 CB ILE A 24 -13.268 22.355 -2.407 1.00 0.00 C ATOM 379 CG1 ILE A 24 -13.537 21.337 -1.303 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.310 23.480 -2.376 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.868 20.643 -1.365 1.00 0.00 C ATOM 0 H ILE A 24 -11.785 20.461 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.179 21.214 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.292 22.807 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.752 20.581 -1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.456 21.843 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.317 23.942 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.058 24.230 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.296 23.069 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.952 19.943 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.667 21.382 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.952 20.100 -2.307 1.00 0.00 H new ATOM 393 N ALA A 25 -11.643 23.233 -4.727 1.00 0.00 N ATOM 394 CA ALA A 25 -11.142 24.305 -5.569 1.00 0.00 C ATOM 395 C ALA A 25 -11.059 23.901 -7.030 1.00 0.00 C ATOM 396 O ALA A 25 -11.370 24.695 -7.917 1.00 0.00 O ATOM 397 CB ALA A 25 -9.783 24.775 -5.073 1.00 0.00 C ATOM 0 H ALA A 25 -10.962 22.903 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.855 25.127 -5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.420 25.579 -5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.875 25.140 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.079 23.944 -5.099 1.00 0.00 H new ATOM 403 N MET A 26 -10.638 22.679 -7.282 1.00 0.00 N ATOM 404 CA MET A 26 -10.520 22.182 -8.605 1.00 0.00 C ATOM 405 C MET A 26 -11.901 21.976 -9.216 1.00 0.00 C ATOM 406 O MET A 26 -12.116 22.238 -10.406 1.00 0.00 O ATOM 407 CB MET A 26 -9.763 20.885 -8.575 1.00 0.00 C ATOM 408 CG MET A 26 -9.197 20.562 -9.899 1.00 0.00 C ATOM 409 SD MET A 26 -8.221 19.064 -9.929 1.00 0.00 S ATOM 410 CE MET A 26 -7.587 19.201 -11.592 1.00 0.00 C ATOM 0 H MET A 26 -10.370 22.011 -6.559 1.00 0.00 H new ATOM 0 HA MET A 26 -9.980 22.903 -9.219 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.961 20.947 -7.840 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.427 20.082 -8.255 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.011 20.467 -10.617 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.576 21.394 -10.230 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.945 18.347 -11.808 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.417 19.218 -12.298 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.011 20.122 -11.687 1.00 0.00 H new ATOM 420 N GLY A 27 -12.833 21.554 -8.386 1.00 0.00 N ATOM 421 CA GLY A 27 -14.187 21.324 -8.832 1.00 0.00 C ATOM 422 C GLY A 27 -14.475 19.853 -8.993 1.00 0.00 C ATOM 423 O GLY A 27 -15.369 19.461 -9.736 1.00 0.00 O ATOM 0 H GLY A 27 -12.674 21.364 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.885 21.756 -8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.349 21.833 -9.782 1.00 0.00 H new ATOM 427 N LEU A 28 -13.712 19.037 -8.301 1.00 0.00 N ATOM 428 CA LEU A 28 -13.852 17.597 -8.367 1.00 0.00 C ATOM 429 C LEU A 28 -14.347 17.068 -7.066 1.00 0.00 C ATOM 430 O LEU A 28 -14.158 17.694 -6.019 1.00 0.00 O ATOM 431 CB LEU A 28 -12.511 16.919 -8.700 1.00 0.00 C ATOM 432 CG LEU A 28 -12.148 16.750 -10.179 1.00 0.00 C ATOM 433 CD1 LEU A 28 -12.185 18.067 -10.916 1.00 0.00 C ATOM 434 CD2 LEU A 28 -10.779 16.105 -10.305 1.00 0.00 C ATOM 0 H LEU A 28 -12.973 19.354 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.568 17.374 -9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.717 17.493 -8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.511 15.931 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.893 16.100 -10.638 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.922 17.906 -11.962 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.188 18.490 -10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.472 18.757 -10.464 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.528 15.988 -11.359 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.033 16.737 -9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.792 15.127 -9.824 1.00 0.00 H new ATOM 446 N SER A 29 -14.994 15.943 -7.119 1.00 0.00 N ATOM 447 CA SER A 29 -15.413 15.273 -5.925 1.00 0.00 C ATOM 448 C SER A 29 -14.164 14.830 -5.158 1.00 0.00 C ATOM 449 O SER A 29 -13.105 14.563 -5.783 1.00 0.00 O ATOM 450 CB SER A 29 -16.261 14.077 -6.294 1.00 0.00 C ATOM 451 OG SER A 29 -17.327 14.466 -7.141 1.00 0.00 O ATOM 0 H SER A 29 -15.245 15.466 -7.985 1.00 0.00 H new ATOM 0 HA SER A 29 -16.007 15.938 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.646 13.329 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.657 13.613 -5.391 1.00 0.00 H new ATOM 0 HG SER A 29 -17.865 13.680 -7.372 1.00 0.00 H new ATOM 457 N GLU A 30 -14.268 14.761 -3.835 1.00 0.00 N ATOM 458 CA GLU A 30 -13.149 14.382 -2.984 1.00 0.00 C ATOM 459 C GLU A 30 -12.538 13.071 -3.447 1.00 0.00 C ATOM 460 O GLU A 30 -11.327 12.965 -3.612 1.00 0.00 O ATOM 461 CB GLU A 30 -13.589 14.244 -1.531 1.00 0.00 C ATOM 462 CG GLU A 30 -12.491 13.725 -0.619 1.00 0.00 C ATOM 463 CD GLU A 30 -12.981 13.403 0.752 1.00 0.00 C ATOM 464 OE1 GLU A 30 -12.360 13.856 1.736 1.00 0.00 O ATOM 465 OE2 GLU A 30 -13.992 12.676 0.872 1.00 0.00 O ATOM 0 H GLU A 30 -15.128 14.966 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.402 15.173 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.926 15.214 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.444 13.570 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.050 12.832 -1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.699 14.471 -0.551 1.00 0.00 H new ATOM 472 N ARG A 31 -13.385 12.101 -3.707 1.00 0.00 N ATOM 473 CA ARG A 31 -12.953 10.793 -4.112 1.00 0.00 C ATOM 474 C ARG A 31 -12.369 10.757 -5.509 1.00 0.00 C ATOM 475 O ARG A 31 -11.574 9.905 -5.793 1.00 0.00 O ATOM 476 CB ARG A 31 -14.047 9.763 -3.931 1.00 0.00 C ATOM 477 CG ARG A 31 -13.836 8.835 -2.735 1.00 0.00 C ATOM 478 CD ARG A 31 -13.737 9.574 -1.395 1.00 0.00 C ATOM 479 NE ARG A 31 -13.416 8.632 -0.312 1.00 0.00 N ATOM 480 CZ ARG A 31 -13.351 8.903 1.006 1.00 0.00 C ATOM 481 NH1 ARG A 31 -13.565 10.124 1.478 1.00 0.00 N ATOM 482 NH2 ARG A 31 -13.051 7.931 1.850 1.00 0.00 N ATOM 0 H ARG A 31 -14.398 12.203 -3.642 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.134 10.528 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.001 10.278 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.118 9.161 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.660 8.123 -2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.925 8.257 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.969 10.345 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -14.679 10.078 -1.180 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.222 7.670 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.785 10.887 0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.509 10.300 2.481 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.872 6.989 1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.998 8.122 2.850 1.00 0.00 H new ATOM 496 N THR A 32 -12.717 11.709 -6.358 1.00 0.00 N ATOM 497 CA THR A 32 -12.138 11.752 -7.698 1.00 0.00 C ATOM 498 C THR A 32 -10.654 12.073 -7.553 1.00 0.00 C ATOM 499 O THR A 32 -9.792 11.413 -8.131 1.00 0.00 O ATOM 500 CB THR A 32 -12.824 12.819 -8.570 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.239 12.681 -8.440 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.443 12.643 -10.041 1.00 0.00 C ATOM 0 H THR A 32 -13.385 12.452 -6.153 1.00 0.00 H new ATOM 0 HA THR A 32 -12.282 10.790 -8.189 1.00 0.00 H new ATOM 0 HB THR A 32 -12.501 13.806 -8.238 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.686 13.358 -8.991 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.939 13.407 -10.639 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.363 12.740 -10.151 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.755 11.656 -10.382 1.00 0.00 H new ATOM 510 N VAL A 33 -10.379 13.052 -6.724 1.00 0.00 N ATOM 511 CA VAL A 33 -9.057 13.407 -6.337 1.00 0.00 C ATOM 512 C VAL A 33 -8.410 12.337 -5.592 1.00 0.00 C ATOM 513 O VAL A 33 -7.273 11.968 -5.885 1.00 0.00 O ATOM 514 CB VAL A 33 -9.103 14.699 -5.530 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.813 15.034 -4.886 1.00 0.00 C ATOM 516 CG2 VAL A 33 -9.285 15.724 -6.493 1.00 0.00 C ATOM 0 H VAL A 33 -11.098 13.633 -6.294 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.457 13.566 -7.233 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.870 14.598 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.916 15.965 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.527 14.232 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.045 15.152 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.329 16.691 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.451 15.716 -7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.216 15.554 -7.034 1.00 0.00 H new ATOM 526 N SER A 34 -9.132 11.773 -4.696 1.00 0.00 N ATOM 527 CA SER A 34 -8.559 10.815 -3.873 1.00 0.00 C ATOM 528 C SER A 34 -8.317 9.480 -4.616 1.00 0.00 C ATOM 529 O SER A 34 -7.766 8.589 -4.054 1.00 0.00 O ATOM 530 CB SER A 34 -9.342 10.610 -2.586 1.00 0.00 C ATOM 531 OG SER A 34 -9.539 11.846 -1.898 1.00 0.00 O ATOM 0 H SER A 34 -10.119 11.968 -4.526 1.00 0.00 H new ATOM 0 HA SER A 34 -7.582 11.204 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.308 10.159 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.809 9.912 -1.940 1.00 0.00 H new ATOM 0 HG SER A 34 -10.089 12.442 -2.448 1.00 0.00 H new ATOM 537 N LEU A 35 -8.870 9.320 -5.819 1.00 0.00 N ATOM 538 CA LEU A 35 -8.537 8.186 -6.665 1.00 0.00 C ATOM 539 C LEU A 35 -7.401 8.532 -7.638 1.00 0.00 C ATOM 540 O LEU A 35 -6.439 7.744 -7.804 1.00 0.00 O ATOM 541 CB LEU A 35 -9.765 7.649 -7.404 1.00 0.00 C ATOM 542 CG LEU A 35 -10.892 7.096 -6.516 1.00 0.00 C ATOM 543 CD1 LEU A 35 -12.039 6.589 -7.355 1.00 0.00 C ATOM 544 CD2 LEU A 35 -10.384 6.002 -5.591 1.00 0.00 C ATOM 0 H LEU A 35 -9.549 9.964 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.182 7.388 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.174 8.450 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.441 6.859 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.254 7.917 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.823 6.203 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.437 7.405 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.686 5.792 -8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.206 5.633 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.979 5.183 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.602 6.404 -4.946 1.00 0.00 H new ATOM 556 N LYS A 36 -7.508 9.721 -8.272 1.00 0.00 N ATOM 557 CA LYS A 36 -6.533 10.220 -9.227 1.00 0.00 C ATOM 558 C LYS A 36 -5.183 10.413 -8.632 1.00 0.00 C ATOM 559 O LYS A 36 -4.170 10.082 -9.226 1.00 0.00 O ATOM 560 CB LYS A 36 -7.008 11.504 -9.826 1.00 0.00 C ATOM 561 CG LYS A 36 -7.981 11.275 -10.946 1.00 0.00 C ATOM 562 CD LYS A 36 -8.583 12.546 -11.368 1.00 0.00 C ATOM 563 CE LYS A 36 -9.679 12.327 -12.406 1.00 0.00 C ATOM 564 NZ LYS A 36 -10.222 13.592 -12.947 1.00 0.00 N ATOM 0 H LYS A 36 -8.290 10.358 -8.122 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.437 9.459 -10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.480 12.112 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.153 12.069 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.472 10.809 -11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.761 10.585 -10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.999 13.059 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.812 13.195 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.281 11.728 -13.226 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.489 11.753 -11.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.849 13.385 -13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.761 14.084 -12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.439 14.198 -13.266 1.00 0.00 H new ATOM 578 N LEU A 37 -5.173 10.931 -7.454 1.00 0.00 N ATOM 579 CA LEU A 37 -3.967 11.189 -6.753 1.00 0.00 C ATOM 580 C LEU A 37 -3.491 9.941 -5.987 1.00 0.00 C ATOM 581 O LEU A 37 -2.299 9.811 -5.641 1.00 0.00 O ATOM 582 CB LEU A 37 -4.167 12.470 -5.882 1.00 0.00 C ATOM 583 CG LEU A 37 -3.168 12.788 -4.827 1.00 0.00 C ATOM 584 CD1 LEU A 37 -3.056 14.290 -4.660 1.00 0.00 C ATOM 585 CD2 LEU A 37 -3.522 12.137 -3.494 1.00 0.00 C ATOM 0 H LEU A 37 -6.017 11.191 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.148 11.400 -7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.214 13.324 -6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.141 12.391 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.208 12.382 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.323 14.516 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.739 14.738 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.025 14.697 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.767 12.395 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.496 12.496 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.557 11.054 -3.616 1.00 0.00 H new ATOM 597 N ASN A 38 -4.384 8.971 -5.835 1.00 0.00 N ATOM 598 CA ASN A 38 -4.094 7.811 -4.997 1.00 0.00 C ATOM 599 C ASN A 38 -3.387 6.698 -5.728 1.00 0.00 C ATOM 600 O ASN A 38 -2.333 6.259 -5.286 1.00 0.00 O ATOM 601 CB ASN A 38 -5.341 7.235 -4.365 1.00 0.00 C ATOM 602 CG ASN A 38 -5.065 6.244 -3.242 1.00 0.00 C ATOM 603 OD1 ASN A 38 -4.915 6.637 -2.098 1.00 0.00 O ATOM 604 ND2 ASN A 38 -5.054 4.976 -3.533 1.00 0.00 N ATOM 0 H ASN A 38 -5.304 8.962 -6.274 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.428 8.201 -4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.948 8.051 -3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.931 6.740 -5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.918 4.285 -2.796 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.182 4.673 -4.499 1.00 0.00 H new ATOM 611 N ASP A 39 -3.964 6.205 -6.834 1.00 0.00 N ATOM 612 CA ASP A 39 -3.360 5.026 -7.504 1.00 0.00 C ATOM 613 C ASP A 39 -3.984 4.678 -8.847 1.00 0.00 C ATOM 614 O ASP A 39 -3.292 4.171 -9.721 1.00 0.00 O ATOM 615 CB ASP A 39 -3.459 3.745 -6.611 1.00 0.00 C ATOM 616 CG ASP A 39 -4.881 3.187 -6.479 1.00 0.00 C ATOM 617 OD1 ASP A 39 -5.189 2.118 -7.059 1.00 0.00 O ATOM 618 OD2 ASP A 39 -5.721 3.816 -5.816 1.00 0.00 O ATOM 0 H ASP A 39 -4.807 6.576 -7.273 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.324 5.324 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.814 2.972 -7.029 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.077 3.977 -5.617 1.00 0.00 H new ATOM 623 N LYS A 40 -5.265 4.945 -9.036 1.00 0.00 N ATOM 624 CA LYS A 40 -5.954 4.387 -10.163 1.00 0.00 C ATOM 625 C LYS A 40 -5.792 5.179 -11.362 1.00 0.00 C ATOM 626 O LYS A 40 -5.827 4.649 -12.471 1.00 0.00 O ATOM 627 CB LYS A 40 -7.420 4.269 -9.859 1.00 0.00 C ATOM 628 CG LYS A 40 -7.648 3.691 -8.490 1.00 0.00 C ATOM 629 CD LYS A 40 -9.055 3.249 -8.232 1.00 0.00 C ATOM 630 CE LYS A 40 -9.134 2.649 -6.840 1.00 0.00 C ATOM 631 NZ LYS A 40 -8.127 1.571 -6.645 1.00 0.00 N ATOM 0 H LYS A 40 -5.833 5.536 -8.429 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.515 3.406 -10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.887 5.252 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.899 3.638 -10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.982 2.839 -8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.371 4.436 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.737 4.095 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.362 2.515 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.977 3.431 -6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.133 2.247 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.350 1.040 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.147 0.926 -7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.180 1.992 -6.559 1.00 0.00 H new ATOM 645 N VAL A 41 -5.610 6.435 -11.195 1.00 0.00 N ATOM 646 CA VAL A 41 -5.644 7.234 -12.315 1.00 0.00 C ATOM 647 C VAL A 41 -4.412 8.088 -12.358 1.00 0.00 C ATOM 648 O VAL A 41 -3.601 8.084 -11.423 1.00 0.00 O ATOM 649 CB VAL A 41 -6.906 8.120 -12.323 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.531 8.008 -13.643 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.917 7.731 -11.264 1.00 0.00 C ATOM 0 H VAL A 41 -5.441 6.906 -10.306 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.675 6.596 -13.198 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.596 9.141 -12.101 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.428 8.627 -13.675 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.830 8.345 -14.407 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.800 6.969 -13.831 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.780 8.394 -11.324 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.237 6.702 -11.427 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.462 7.817 -10.277 1.00 0.00 H new ATOM 661 N THR A 42 -4.279 8.788 -13.414 1.00 0.00 N ATOM 662 CA THR A 42 -3.193 9.674 -13.652 1.00 0.00 C ATOM 663 C THR A 42 -3.770 10.957 -14.213 1.00 0.00 C ATOM 664 O THR A 42 -4.985 11.029 -14.476 1.00 0.00 O ATOM 665 CB THR A 42 -2.183 9.049 -14.643 1.00 0.00 C ATOM 666 OG1 THR A 42 -2.884 8.472 -15.758 1.00 0.00 O ATOM 667 CG2 THR A 42 -1.309 7.992 -13.974 1.00 0.00 C ATOM 0 H THR A 42 -4.953 8.764 -14.179 1.00 0.00 H new ATOM 0 HA THR A 42 -2.653 9.872 -12.726 1.00 0.00 H new ATOM 0 HB THR A 42 -1.527 9.846 -14.994 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.239 8.080 -16.382 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.614 7.579 -14.705 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.748 8.447 -13.157 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.939 7.194 -13.581 1.00 0.00 H new ATOM 675 N TRP A 43 -2.960 11.939 -14.411 1.00 0.00 N ATOM 676 CA TRP A 43 -3.445 13.192 -14.886 1.00 0.00 C ATOM 677 C TRP A 43 -3.252 13.318 -16.374 1.00 0.00 C ATOM 678 O TRP A 43 -2.153 13.111 -16.894 1.00 0.00 O ATOM 679 CB TRP A 43 -2.775 14.351 -14.150 1.00 0.00 C ATOM 680 CG TRP A 43 -3.114 14.407 -12.689 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.143 15.091 -12.116 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.423 13.752 -11.616 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.133 14.908 -10.759 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.086 14.091 -10.426 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.307 12.915 -11.549 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.672 13.624 -9.185 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -0.900 12.453 -10.320 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.580 12.808 -9.151 1.00 0.00 C ATOM 0 H TRP A 43 -1.953 11.900 -14.251 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.515 13.236 -14.682 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.694 14.266 -14.261 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.071 15.289 -14.620 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.862 15.691 -12.654 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.799 15.315 -10.102 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.774 12.636 -12.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.196 13.897 -8.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.039 11.804 -10.256 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.233 12.428 -8.201 1.00 0.00 H new ATOM 699 N LYS A 44 -4.332 13.587 -17.070 1.00 0.00 N ATOM 700 CA LYS A 44 -4.276 13.883 -18.473 1.00 0.00 C ATOM 701 C LYS A 44 -3.759 15.297 -18.610 1.00 0.00 C ATOM 702 O LYS A 44 -3.700 16.028 -17.612 1.00 0.00 O ATOM 703 CB LYS A 44 -5.664 13.782 -19.107 1.00 0.00 C ATOM 704 CG LYS A 44 -6.290 12.397 -19.099 1.00 0.00 C ATOM 705 CD LYS A 44 -5.491 11.420 -19.936 1.00 0.00 C ATOM 706 CE LYS A 44 -6.205 10.089 -20.045 1.00 0.00 C ATOM 707 NZ LYS A 44 -5.447 9.117 -20.858 1.00 0.00 N ATOM 0 H LYS A 44 -5.272 13.606 -16.675 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.626 13.170 -18.981 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.333 14.467 -18.585 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.598 14.126 -20.139 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.354 12.032 -18.074 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.309 12.455 -19.481 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.332 11.834 -20.932 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.507 11.274 -19.490 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.364 9.680 -19.047 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.189 10.241 -20.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.972 8.221 -20.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.317 9.494 -21.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.517 8.951 -20.423 1.00 0.00 H new ATOM 721 N ASP A 45 -3.433 15.707 -19.808 1.00 0.00 N ATOM 722 CA ASP A 45 -2.869 17.032 -20.013 1.00 0.00 C ATOM 723 C ASP A 45 -3.780 18.125 -19.561 1.00 0.00 C ATOM 724 O ASP A 45 -3.336 19.060 -18.906 1.00 0.00 O ATOM 725 CB ASP A 45 -2.398 17.267 -21.422 1.00 0.00 C ATOM 726 CG ASP A 45 -1.110 16.559 -21.749 1.00 0.00 C ATOM 727 OD1 ASP A 45 -1.151 15.438 -22.324 1.00 0.00 O ATOM 728 OD2 ASP A 45 -0.028 17.097 -21.422 1.00 0.00 O ATOM 0 H ASP A 45 -3.544 15.153 -20.657 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.985 17.061 -19.376 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.171 16.937 -22.115 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.265 18.337 -21.579 1.00 0.00 H new ATOM 733 N ASP A 46 -5.059 17.974 -19.841 1.00 0.00 N ATOM 734 CA ASP A 46 -6.052 18.963 -19.438 1.00 0.00 C ATOM 735 C ASP A 46 -6.139 19.054 -17.929 1.00 0.00 C ATOM 736 O ASP A 46 -6.263 20.136 -17.382 1.00 0.00 O ATOM 737 CB ASP A 46 -7.432 18.647 -20.001 1.00 0.00 C ATOM 738 CG ASP A 46 -8.432 19.735 -19.663 1.00 0.00 C ATOM 739 OD1 ASP A 46 -9.318 19.521 -18.793 1.00 0.00 O ATOM 740 OD2 ASP A 46 -8.342 20.836 -20.243 1.00 0.00 O ATOM 0 H ASP A 46 -5.441 17.175 -20.347 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.725 19.920 -19.844 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.368 18.534 -21.083 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.780 17.695 -19.601 1.00 0.00 H new ATOM 745 N GLU A 47 -5.983 17.910 -17.260 1.00 0.00 N ATOM 746 CA GLU A 47 -6.090 17.847 -15.794 1.00 0.00 C ATOM 747 C GLU A 47 -4.955 18.659 -15.205 1.00 0.00 C ATOM 748 O GLU A 47 -5.139 19.451 -14.270 1.00 0.00 O ATOM 749 CB GLU A 47 -5.957 16.403 -15.286 1.00 0.00 C ATOM 750 CG GLU A 47 -6.923 15.396 -15.885 1.00 0.00 C ATOM 751 CD GLU A 47 -8.362 15.652 -15.548 1.00 0.00 C ATOM 752 OE1 GLU A 47 -8.804 15.291 -14.436 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.103 16.140 -16.416 1.00 0.00 O ATOM 0 H GLU A 47 -5.783 17.014 -17.705 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.065 18.234 -15.497 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.940 16.062 -15.481 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.090 16.406 -14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.809 15.400 -16.969 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.652 14.399 -15.539 1.00 0.00 H new ATOM 760 N ILE A 48 -3.784 18.472 -15.804 1.00 0.00 N ATOM 761 CA ILE A 48 -2.580 19.173 -15.422 1.00 0.00 C ATOM 762 C ILE A 48 -2.793 20.675 -15.596 1.00 0.00 C ATOM 763 O ILE A 48 -2.613 21.448 -14.660 1.00 0.00 O ATOM 764 CB ILE A 48 -1.369 18.722 -16.298 1.00 0.00 C ATOM 765 CG1 ILE A 48 -1.143 17.204 -16.173 1.00 0.00 C ATOM 766 CG2 ILE A 48 -0.108 19.485 -15.912 1.00 0.00 C ATOM 767 CD1 ILE A 48 -0.014 16.660 -17.034 1.00 0.00 C ATOM 0 H ILE A 48 -3.651 17.820 -16.577 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.361 18.941 -14.380 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.600 18.950 -17.339 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.934 16.965 -15.130 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.066 16.689 -16.439 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.723 19.154 -16.535 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.269 20.553 -16.059 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.126 19.295 -14.865 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.073 15.584 -16.882 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.227 16.862 -18.084 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.922 17.143 -16.754 1.00 0.00 H new ATOM 779 N LEU A 49 -3.242 21.061 -16.784 1.00 0.00 N ATOM 780 CA LEU A 49 -3.458 22.420 -17.155 1.00 0.00 C ATOM 781 C LEU A 49 -4.486 23.118 -16.260 1.00 0.00 C ATOM 782 O LEU A 49 -4.381 24.327 -16.008 1.00 0.00 O ATOM 783 CB LEU A 49 -3.894 22.456 -18.598 1.00 0.00 C ATOM 784 CG LEU A 49 -2.900 21.914 -19.624 1.00 0.00 C ATOM 785 CD1 LEU A 49 -3.520 21.907 -21.010 1.00 0.00 C ATOM 786 CD2 LEU A 49 -1.609 22.723 -19.620 1.00 0.00 C ATOM 0 H LEU A 49 -3.468 20.401 -17.528 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.524 22.967 -17.025 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.821 21.890 -18.689 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.125 23.489 -18.859 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.654 20.889 -19.346 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.799 21.518 -21.729 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.408 21.275 -21.008 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.799 22.923 -21.289 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.921 22.314 -20.360 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.830 23.762 -19.865 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.151 22.673 -18.632 1.00 0.00 H new ATOM 798 N LYS A 50 -5.465 22.383 -15.780 1.00 0.00 N ATOM 799 CA LYS A 50 -6.434 22.941 -14.893 1.00 0.00 C ATOM 800 C LYS A 50 -5.809 23.240 -13.542 1.00 0.00 C ATOM 801 O LYS A 50 -6.015 24.317 -12.982 1.00 0.00 O ATOM 802 CB LYS A 50 -7.643 22.043 -14.786 1.00 0.00 C ATOM 803 CG LYS A 50 -8.393 21.885 -16.103 1.00 0.00 C ATOM 804 CD LYS A 50 -9.012 23.197 -16.580 1.00 0.00 C ATOM 805 CE LYS A 50 -9.290 23.163 -18.069 1.00 0.00 C ATOM 806 NZ LYS A 50 -10.197 22.070 -18.461 1.00 0.00 N ATOM 0 H LYS A 50 -5.602 21.396 -15.996 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.783 23.890 -15.301 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.328 21.060 -14.435 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.322 22.447 -14.035 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.709 21.511 -16.865 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.178 21.138 -15.984 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.940 23.382 -16.038 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.339 24.024 -16.352 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.725 24.115 -18.374 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.348 23.056 -18.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.323 22.077 -19.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.790 21.159 -18.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.119 22.202 -17.999 1.00 0.00 H new ATOM 820 N ALA A 51 -4.983 22.317 -13.054 1.00 0.00 N ATOM 821 CA ALA A 51 -4.259 22.519 -11.802 1.00 0.00 C ATOM 822 C ALA A 51 -3.319 23.721 -11.942 1.00 0.00 C ATOM 823 O ALA A 51 -3.220 24.552 -11.036 1.00 0.00 O ATOM 824 CB ALA A 51 -3.484 21.264 -11.418 1.00 0.00 C ATOM 0 H ALA A 51 -4.799 21.422 -13.507 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.975 22.722 -11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.952 21.437 -10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.177 20.432 -11.293 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.768 21.024 -12.204 1.00 0.00 H new ATOM 830 N VAL A 52 -2.688 23.823 -13.115 1.00 0.00 N ATOM 831 CA VAL A 52 -1.811 24.949 -13.489 1.00 0.00 C ATOM 832 C VAL A 52 -2.504 26.302 -13.292 1.00 0.00 C ATOM 833 O VAL A 52 -1.883 27.269 -12.872 1.00 0.00 O ATOM 834 CB VAL A 52 -1.322 24.812 -14.983 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.542 26.031 -15.449 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.444 23.592 -15.141 1.00 0.00 C ATOM 0 H VAL A 52 -2.770 23.117 -13.847 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.947 24.911 -12.826 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.219 24.719 -15.596 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.227 25.888 -16.483 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.175 26.916 -15.381 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.336 26.164 -14.818 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.115 23.512 -16.177 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.426 23.683 -14.490 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.008 22.700 -14.870 1.00 0.00 H new ATOM 846 N HIS A 53 -3.785 26.342 -13.547 1.00 0.00 N ATOM 847 CA HIS A 53 -4.535 27.557 -13.477 1.00 0.00 C ATOM 848 C HIS A 53 -5.114 27.840 -12.106 1.00 0.00 C ATOM 849 O HIS A 53 -5.280 28.988 -11.740 1.00 0.00 O ATOM 850 CB HIS A 53 -5.625 27.539 -14.521 1.00 0.00 C ATOM 851 CG HIS A 53 -5.132 27.857 -15.893 1.00 0.00 C ATOM 852 ND1 HIS A 53 -4.763 26.898 -16.808 1.00 0.00 N ATOM 853 CD2 HIS A 53 -4.917 29.041 -16.496 1.00 0.00 C ATOM 854 CE1 HIS A 53 -4.340 27.481 -17.902 1.00 0.00 C ATOM 855 NE2 HIS A 53 -4.426 28.777 -17.741 1.00 0.00 N ATOM 0 H HIS A 53 -4.336 25.525 -13.810 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.837 28.370 -13.675 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.094 26.555 -14.530 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.396 28.258 -14.244 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -4.811 25.890 -16.658 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.099 30.018 -16.073 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.981 26.977 -18.787 1.00 0.00 H new ATOM 863 N VAL A 54 -5.372 26.817 -11.334 1.00 0.00 N ATOM 864 CA VAL A 54 -6.021 27.011 -10.052 1.00 0.00 C ATOM 865 C VAL A 54 -4.964 27.208 -8.995 1.00 0.00 C ATOM 866 O VAL A 54 -4.821 28.279 -8.420 1.00 0.00 O ATOM 867 CB VAL A 54 -6.933 25.798 -9.679 1.00 0.00 C ATOM 868 CG1 VAL A 54 -7.580 25.990 -8.310 1.00 0.00 C ATOM 869 CG2 VAL A 54 -8.006 25.586 -10.736 1.00 0.00 C ATOM 0 H VAL A 54 -5.148 25.848 -11.562 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.660 27.892 -10.115 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.299 24.912 -9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.208 25.129 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.804 26.086 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.191 26.892 -8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.629 24.737 -10.456 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.624 26.481 -10.812 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.534 25.388 -11.699 1.00 0.00 H new ATOM 879 N LEU A 55 -4.194 26.172 -8.802 1.00 0.00 N ATOM 880 CA LEU A 55 -3.129 26.105 -7.867 1.00 0.00 C ATOM 881 C LEU A 55 -1.981 27.015 -8.259 1.00 0.00 C ATOM 882 O LEU A 55 -1.186 27.431 -7.408 1.00 0.00 O ATOM 883 CB LEU A 55 -2.662 24.678 -7.894 1.00 0.00 C ATOM 884 CG LEU A 55 -3.413 23.645 -7.057 1.00 0.00 C ATOM 885 CD1 LEU A 55 -3.049 23.758 -5.590 1.00 0.00 C ATOM 886 CD2 LEU A 55 -4.932 23.728 -7.216 1.00 0.00 C ATOM 0 H LEU A 55 -4.309 25.307 -9.330 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.464 26.425 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.684 24.343 -8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.619 24.665 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.098 22.674 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.600 23.010 -5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.979 23.593 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.307 24.753 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.405 22.967 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.277 24.715 -6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.198 23.561 -8.260 1.00 0.00 H new ATOM 898 N GLU A 56 -1.931 27.322 -9.542 1.00 0.00 N ATOM 899 CA GLU A 56 -0.883 28.106 -10.162 1.00 0.00 C ATOM 900 C GLU A 56 0.406 27.342 -10.207 1.00 0.00 C ATOM 901 O GLU A 56 1.136 27.248 -9.222 1.00 0.00 O ATOM 902 CB GLU A 56 -0.664 29.477 -9.543 1.00 0.00 C ATOM 903 CG GLU A 56 -1.815 30.428 -9.672 1.00 0.00 C ATOM 904 CD GLU A 56 -1.439 31.776 -9.159 1.00 0.00 C ATOM 905 OE1 GLU A 56 -1.446 31.984 -7.945 1.00 0.00 O ATOM 906 OE2 GLU A 56 -1.115 32.666 -9.969 1.00 0.00 O ATOM 0 H GLU A 56 -2.646 27.020 -10.204 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.236 28.294 -11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.437 29.348 -8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.214 29.930 -10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.118 30.502 -10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.673 30.048 -9.117 1.00 0.00 H new ATOM 913 N LEU A 57 0.649 26.763 -11.319 1.00 0.00 N ATOM 914 CA LEU A 57 1.856 26.050 -11.564 1.00 0.00 C ATOM 915 C LEU A 57 2.362 26.481 -12.888 1.00 0.00 C ATOM 916 O LEU A 57 1.674 27.188 -13.621 1.00 0.00 O ATOM 917 CB LEU A 57 1.626 24.557 -11.580 1.00 0.00 C ATOM 918 CG LEU A 57 1.030 23.917 -10.315 1.00 0.00 C ATOM 919 CD1 LEU A 57 0.714 22.454 -10.562 1.00 0.00 C ATOM 920 CD2 LEU A 57 1.992 24.049 -9.142 1.00 0.00 C ATOM 0 H LEU A 57 0.003 26.767 -12.108 1.00 0.00 H new ATOM 0 HA LEU A 57 2.571 26.263 -10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.966 24.327 -12.416 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.580 24.072 -11.785 1.00 0.00 H new ATOM 0 HG LEU A 57 0.107 24.442 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.293 22.015 -9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.006 22.370 -11.376 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.628 21.925 -10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.552 23.590 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.930 23.548 -9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.184 25.104 -8.946 1.00 0.00 H new ATOM 932 N ASN A 58 3.522 26.090 -13.200 1.00 0.00 N ATOM 933 CA ASN A 58 4.088 26.400 -14.462 1.00 0.00 C ATOM 934 C ASN A 58 4.302 25.093 -15.171 1.00 0.00 C ATOM 935 O ASN A 58 4.608 24.109 -14.511 1.00 0.00 O ATOM 936 CB ASN A 58 5.411 27.146 -14.261 1.00 0.00 C ATOM 937 CG ASN A 58 6.065 27.518 -15.567 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.864 26.749 -16.112 1.00 0.00 O ATOM 939 ND2 ASN A 58 5.727 28.662 -16.085 1.00 0.00 N ATOM 0 H ASN A 58 4.124 25.538 -12.589 1.00 0.00 H new ATOM 0 HA ASN A 58 3.437 27.046 -15.052 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.231 28.049 -13.678 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.092 26.523 -13.681 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.126 28.956 -16.977 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.063 29.265 -15.600 1.00 0.00 H new ATOM 946 N PRO A 59 4.126 25.024 -16.501 1.00 0.00 N ATOM 947 CA PRO A 59 4.320 23.785 -17.266 1.00 0.00 C ATOM 948 C PRO A 59 5.708 23.145 -17.065 1.00 0.00 C ATOM 949 O PRO A 59 5.864 21.946 -17.220 1.00 0.00 O ATOM 950 CB PRO A 59 4.132 24.217 -18.724 1.00 0.00 C ATOM 951 CG PRO A 59 4.228 25.702 -18.701 1.00 0.00 C ATOM 952 CD PRO A 59 3.673 26.117 -17.380 1.00 0.00 C ATOM 0 HA PRO A 59 3.620 23.015 -16.940 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.898 23.782 -19.366 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.167 23.890 -19.111 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.261 26.030 -18.813 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.662 26.145 -19.521 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.060 27.085 -17.061 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.586 26.200 -17.402 1.00 0.00 H new ATOM 960 N GLN A 60 6.702 23.936 -16.692 1.00 0.00 N ATOM 961 CA GLN A 60 8.036 23.398 -16.472 1.00 0.00 C ATOM 962 C GLN A 60 8.249 23.068 -14.989 1.00 0.00 C ATOM 963 O GLN A 60 9.271 22.512 -14.605 1.00 0.00 O ATOM 964 CB GLN A 60 9.118 24.349 -16.994 1.00 0.00 C ATOM 965 CG GLN A 60 8.929 24.871 -18.444 1.00 0.00 C ATOM 966 CD GLN A 60 9.007 23.830 -19.595 1.00 0.00 C ATOM 967 OE1 GLN A 60 8.546 22.616 -19.405 1.00 0.00 O flip ATOM 968 NE2 GLN A 60 9.446 24.165 -20.688 1.00 0.00 N flip ATOM 0 H GLN A 60 6.613 24.940 -16.537 1.00 0.00 H new ATOM 0 HA GLN A 60 8.122 22.471 -17.039 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.172 25.208 -16.325 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.080 23.839 -16.936 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.958 25.364 -18.501 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.685 25.634 -18.628 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.802 25.111 -20.826 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.455 23.498 -21.460 1.00 0.00 H new ATOM 977 N ASP A 61 7.265 23.399 -14.168 1.00 0.00 N ATOM 978 CA ASP A 61 7.317 23.105 -12.725 1.00 0.00 C ATOM 979 C ASP A 61 6.672 21.742 -12.533 1.00 0.00 C ATOM 980 O ASP A 61 6.946 21.031 -11.605 1.00 0.00 O ATOM 981 CB ASP A 61 6.502 24.153 -11.942 1.00 0.00 C ATOM 982 CG ASP A 61 7.048 24.486 -10.557 1.00 0.00 C ATOM 983 OD1 ASP A 61 8.272 24.735 -10.430 1.00 0.00 O ATOM 984 OD2 ASP A 61 6.259 24.619 -9.600 1.00 0.00 O ATOM 0 H ASP A 61 6.413 23.873 -14.468 1.00 0.00 H new ATOM 0 HA ASP A 61 8.346 23.123 -12.366 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.457 25.070 -12.529 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.479 23.792 -11.836 1.00 0.00 H new ATOM 989 N ILE A 62 5.874 21.378 -13.525 1.00 0.00 N ATOM 990 CA ILE A 62 5.064 20.144 -13.582 1.00 0.00 C ATOM 991 C ILE A 62 5.792 18.788 -13.271 1.00 0.00 C ATOM 992 O ILE A 62 5.198 17.944 -12.562 1.00 0.00 O ATOM 993 CB ILE A 62 4.309 20.047 -14.942 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.339 21.216 -15.092 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.579 18.719 -15.131 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.342 21.369 -13.961 1.00 0.00 C ATOM 0 H ILE A 62 5.759 21.955 -14.359 1.00 0.00 H new ATOM 0 HA ILE A 62 4.372 20.263 -12.748 1.00 0.00 H new ATOM 0 HB ILE A 62 5.066 20.097 -15.725 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.915 22.138 -15.176 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.791 21.096 -16.026 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.074 18.716 -16.097 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.298 17.900 -15.095 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.844 18.592 -14.337 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.697 22.225 -14.158 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.735 20.467 -13.887 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.876 21.525 -13.024 1.00 0.00 H new ATOM 1008 N PRO A 63 7.074 18.522 -13.732 1.00 0.00 N ATOM 1009 CA PRO A 63 7.673 17.203 -13.546 1.00 0.00 C ATOM 1010 C PRO A 63 7.907 16.883 -12.084 1.00 0.00 C ATOM 1011 O PRO A 63 7.870 15.721 -11.665 1.00 0.00 O ATOM 1012 CB PRO A 63 8.994 17.255 -14.311 1.00 0.00 C ATOM 1013 CG PRO A 63 9.315 18.695 -14.471 1.00 0.00 C ATOM 1014 CD PRO A 63 8.018 19.451 -14.398 1.00 0.00 C ATOM 0 HA PRO A 63 7.013 16.416 -13.911 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.782 16.737 -13.765 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.904 16.765 -15.280 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.998 19.026 -13.688 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.812 18.875 -15.424 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.130 20.375 -13.830 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.665 19.728 -15.391 1.00 0.00 H new ATOM 1022 N LYS A 64 8.034 17.934 -11.324 1.00 0.00 N ATOM 1023 CA LYS A 64 8.320 17.885 -9.908 1.00 0.00 C ATOM 1024 C LYS A 64 7.083 17.399 -9.148 1.00 0.00 C ATOM 1025 O LYS A 64 7.188 16.858 -8.061 1.00 0.00 O ATOM 1026 CB LYS A 64 8.648 19.298 -9.407 1.00 0.00 C ATOM 1027 CG LYS A 64 9.575 20.120 -10.304 1.00 0.00 C ATOM 1028 CD LYS A 64 9.751 21.518 -9.727 1.00 0.00 C ATOM 1029 CE LYS A 64 10.602 22.411 -10.615 1.00 0.00 C ATOM 1030 NZ LYS A 64 12.020 22.010 -10.638 1.00 0.00 N ATOM 0 H LYS A 64 7.939 18.885 -11.681 1.00 0.00 H new ATOM 0 HA LYS A 64 9.159 17.210 -9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.714 19.845 -9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.105 19.217 -8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.544 19.628 -10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.160 20.182 -11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.772 21.976 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.212 21.446 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.206 22.389 -11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.526 23.441 -10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.553 22.653 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.410 22.057 -9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.100 21.037 -10.997 1.00 0.00 H new ATOM 1044 N TYR A 65 5.912 17.605 -9.746 1.00 0.00 N ATOM 1045 CA TYR A 65 4.666 17.306 -9.095 1.00 0.00 C ATOM 1046 C TYR A 65 4.007 16.041 -9.632 1.00 0.00 C ATOM 1047 O TYR A 65 3.631 15.168 -8.871 1.00 0.00 O ATOM 1048 CB TYR A 65 3.690 18.479 -9.268 1.00 0.00 C ATOM 1049 CG TYR A 65 4.182 19.796 -8.719 1.00 0.00 C ATOM 1050 CD1 TYR A 65 3.933 20.155 -7.413 1.00 0.00 C ATOM 1051 CD2 TYR A 65 4.904 20.673 -9.503 1.00 0.00 C ATOM 1052 CE1 TYR A 65 4.402 21.353 -6.897 1.00 0.00 C ATOM 1053 CE2 TYR A 65 5.365 21.851 -9.004 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.120 22.195 -7.712 1.00 0.00 C ATOM 1055 OH TYR A 65 5.622 23.386 -7.227 1.00 0.00 O ATOM 0 H TYR A 65 5.814 17.982 -10.689 1.00 0.00 H new ATOM 0 HA TYR A 65 4.897 17.143 -8.042 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.475 18.601 -10.330 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.749 18.226 -8.779 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.362 19.492 -6.780 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.107 20.419 -10.533 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.206 21.621 -5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.930 22.518 -9.639 1.00 0.00 H new ATOM 0 HH TYR A 65 5.904 23.951 -7.976 1.00 0.00 H new ATOM 1065 N PHE A 66 3.871 15.933 -10.944 1.00 0.00 N ATOM 1066 CA PHE A 66 3.051 14.850 -11.492 1.00 0.00 C ATOM 1067 C PHE A 66 3.838 13.795 -12.264 1.00 0.00 C ATOM 1068 O PHE A 66 3.270 12.793 -12.682 1.00 0.00 O ATOM 1069 CB PHE A 66 1.936 15.421 -12.386 1.00 0.00 C ATOM 1070 CG PHE A 66 1.069 16.466 -11.721 1.00 0.00 C ATOM 1071 CD1 PHE A 66 1.248 17.813 -11.995 1.00 0.00 C ATOM 1072 CD2 PHE A 66 0.080 16.103 -10.829 1.00 0.00 C ATOM 1073 CE1 PHE A 66 0.458 18.771 -11.394 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -0.716 17.056 -10.223 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.526 18.391 -10.506 1.00 0.00 C ATOM 0 H PHE A 66 4.298 16.553 -11.632 1.00 0.00 H new ATOM 0 HA PHE A 66 2.625 14.342 -10.627 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.390 15.857 -13.276 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.301 14.601 -12.721 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.017 18.117 -12.689 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.074 15.059 -10.601 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.610 19.816 -11.619 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.486 16.755 -9.528 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.146 19.138 -10.033 1.00 0.00 H new ATOM 1085 N PHE A 67 5.122 13.997 -12.446 1.00 0.00 N ATOM 1086 CA PHE A 67 5.911 13.065 -13.261 1.00 0.00 C ATOM 1087 C PHE A 67 6.485 11.902 -12.488 1.00 0.00 C ATOM 1088 O PHE A 67 5.998 10.777 -12.590 1.00 0.00 O ATOM 1089 CB PHE A 67 7.008 13.781 -14.042 1.00 0.00 C ATOM 1090 CG PHE A 67 6.560 14.330 -15.377 1.00 0.00 C ATOM 1091 CD1 PHE A 67 5.560 15.291 -15.464 1.00 0.00 C ATOM 1092 CD2 PHE A 67 7.147 13.881 -16.549 1.00 0.00 C ATOM 1093 CE1 PHE A 67 5.160 15.787 -16.690 1.00 0.00 C ATOM 1094 CE2 PHE A 67 6.750 14.374 -17.775 1.00 0.00 C ATOM 1095 CZ PHE A 67 5.755 15.328 -17.845 1.00 0.00 C ATOM 0 H PHE A 67 5.647 14.779 -12.055 1.00 0.00 H new ATOM 0 HA PHE A 67 5.197 12.640 -13.966 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.394 14.600 -13.436 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.834 13.088 -14.205 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.090 15.655 -14.562 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.926 13.135 -16.502 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.382 16.534 -16.743 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.218 14.014 -18.679 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.443 15.714 -18.804 1.00 0.00 H new ATOM 1105 N ASN A 68 7.519 12.158 -11.725 1.00 0.00 N ATOM 1106 CA ASN A 68 8.198 11.114 -11.020 1.00 0.00 C ATOM 1107 C ASN A 68 7.877 11.166 -9.553 1.00 0.00 C ATOM 1108 O ASN A 68 8.387 10.378 -8.766 1.00 0.00 O ATOM 1109 CB ASN A 68 9.704 11.235 -11.229 1.00 0.00 C ATOM 1110 CG ASN A 68 10.165 10.916 -12.641 1.00 0.00 C ATOM 1111 OD1 ASN A 68 9.546 10.122 -13.354 1.00 0.00 O ATOM 1112 ND2 ASN A 68 11.243 11.526 -13.060 1.00 0.00 N ATOM 0 H ASN A 68 7.907 13.090 -11.580 1.00 0.00 H new ATOM 0 HA ASN A 68 7.858 10.156 -11.414 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.014 12.250 -10.978 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.211 10.566 -10.534 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.595 11.351 -14.001 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.732 12.177 -12.446 1.00 0.00 H new ATOM 1119 N ALA A 69 6.974 12.062 -9.194 1.00 0.00 N ATOM 1120 CA ALA A 69 6.599 12.286 -7.802 1.00 0.00 C ATOM 1121 C ALA A 69 5.472 11.366 -7.401 1.00 0.00 C ATOM 1122 O ALA A 69 4.771 11.586 -6.414 1.00 0.00 O ATOM 1123 CB ALA A 69 6.214 13.732 -7.605 1.00 0.00 C ATOM 0 H ALA A 69 6.478 12.657 -9.857 1.00 0.00 H new ATOM 0 HA ALA A 69 7.453 12.063 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.935 13.896 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.060 14.371 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.369 13.975 -8.250 1.00 0.00 H new ATOM 1129 N LYS A 70 5.386 10.280 -8.105 1.00 0.00 N ATOM 1130 CA LYS A 70 4.373 9.296 -7.907 1.00 0.00 C ATOM 1131 C LYS A 70 4.753 8.341 -6.842 1.00 0.00 C ATOM 1132 O LYS A 70 5.019 7.157 -7.064 1.00 0.00 O ATOM 1133 CB LYS A 70 3.955 8.629 -9.213 1.00 0.00 C ATOM 1134 CG LYS A 70 5.134 8.092 -10.027 1.00 0.00 C ATOM 1135 CD LYS A 70 4.690 7.385 -11.301 1.00 0.00 C ATOM 1136 CE LYS A 70 3.882 6.130 -11.002 1.00 0.00 C ATOM 1137 NZ LYS A 70 4.645 5.150 -10.188 1.00 0.00 N ATOM 0 H LYS A 70 6.039 10.049 -8.854 1.00 0.00 H new ATOM 0 HA LYS A 70 3.477 9.804 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.273 7.808 -8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.403 9.348 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.798 8.917 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.710 7.400 -9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.091 8.067 -11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.566 7.120 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.969 6.405 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.579 5.663 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.151 4.235 -10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.597 5.032 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.721 5.496 -9.210 1.00 0.00 H new ATOM 1151 N VAL A 71 4.824 8.891 -5.702 1.00 0.00 N ATOM 1152 CA VAL A 71 5.076 8.191 -4.547 1.00 0.00 C ATOM 1153 C VAL A 71 3.839 8.322 -3.706 1.00 0.00 C ATOM 1154 O VAL A 71 3.554 9.382 -3.155 1.00 0.00 O ATOM 1155 CB VAL A 71 6.289 8.736 -3.796 1.00 0.00 C ATOM 1156 CG1 VAL A 71 6.538 7.856 -2.634 1.00 0.00 C ATOM 1157 CG2 VAL A 71 7.521 8.791 -4.697 1.00 0.00 C ATOM 0 H VAL A 71 4.700 9.893 -5.556 1.00 0.00 H new ATOM 0 HA VAL A 71 5.308 7.151 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 71 6.088 9.755 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.401 8.223 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.662 7.854 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.734 6.842 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.367 9.183 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.756 7.788 -5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.320 9.441 -5.549 1.00 0.00 H new ATOM 1167 N HIS A 72 3.070 7.297 -3.711 1.00 0.00 N ATOM 1168 CA HIS A 72 1.821 7.256 -3.010 1.00 0.00 C ATOM 1169 C HIS A 72 1.569 5.861 -2.511 1.00 0.00 C ATOM 1170 O HIS A 72 2.154 5.496 -1.504 1.00 0.00 O ATOM 1171 CB HIS A 72 0.639 7.813 -3.875 1.00 0.00 C ATOM 1172 CG HIS A 72 0.540 7.303 -5.311 1.00 0.00 C ATOM 1173 ND1 HIS A 72 -0.236 7.921 -6.272 1.00 0.00 N ATOM 1174 CD2 HIS A 72 1.126 6.255 -5.945 1.00 0.00 C ATOM 1175 CE1 HIS A 72 -0.111 7.273 -7.419 1.00 0.00 C ATOM 1176 NE2 HIS A 72 0.705 6.270 -7.243 1.00 0.00 N ATOM 0 H HIS A 72 3.288 6.436 -4.213 1.00 0.00 H new ATOM 0 HA HIS A 72 1.882 7.919 -2.147 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.296 7.578 -3.365 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.722 8.899 -3.905 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -0.815 8.747 -6.121 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.803 5.539 -5.502 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.602 7.531 -8.346 1.00 0.00 H new TER 1184 HIS A 72