USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 75 TYR OH : rot -142:sc= 0.0704 USER MOD Set 1.2: A 94 SER OG : rot 104:sc= 0.595 USER MOD Set 2.1: A 41 TYR OH : rot -21:sc= 1.28 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.41 K(o=4,f=-4.8!) USER MOD Set 2.3: A 85 SER OG : rot -64:sc= 1.32 USER MOD Set 3.1: A 34 SER OG : rot -121:sc= 1.06 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.788 USER MOD Set 4.1: A 19 LYS NZ :NH3+ -122:sc= 0.135 (180deg=0) USER MOD Set 4.2: A 67 TYR OH : rot 150:sc= 0.129 USER MOD Single : A 7 THR OG1 : rot -42:sc= 0.222 USER MOD Single : A 10 THR OG1 : rot -140:sc= 0.0803 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.6!) USER MOD Single : A 43 SER OG : rot 63:sc= 0.35 USER MOD Single : A 45 SER OG : rot 81:sc= 0.946 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.049 K(o=0.049,f=-1.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -52:sc= 1.12 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.321 USER MOD Single : A 81 ASN : amide:sc= 0.932 K(o=0.93,f=-0.11) USER MOD Single : A 84 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.063) USER MOD Single : A 86 GLN : amide:sc= 0.747 K(o=0.75,f=-0.16) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 49:sc= 0.127 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 17:sc= 0.427 USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 3 -11.979 -7.620 -2.076 1.00 0.00 N ATOM 27 CA PRO A 3 -10.782 -6.913 -2.518 1.00 0.00 C ATOM 28 C PRO A 3 -10.618 -6.799 -4.033 1.00 0.00 C ATOM 29 O PRO A 3 -11.433 -7.306 -4.810 1.00 0.00 O ATOM 30 CB PRO A 3 -9.620 -7.680 -1.874 1.00 0.00 C ATOM 31 CG PRO A 3 -10.155 -9.099 -1.766 1.00 0.00 C ATOM 32 CD PRO A 3 -11.613 -8.862 -1.409 1.00 0.00 C ATOM 0 HA PRO A 3 -10.833 -5.869 -2.210 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.720 -7.635 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.361 -7.272 -0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.048 -9.647 -2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.636 -9.673 -0.999 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.239 -9.688 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.745 -8.782 -0.330 1.00 0.00 H new ATOM 40 N ILE A 4 -9.510 -6.184 -4.448 1.00 0.00 N ATOM 41 CA ILE A 4 -9.071 -6.037 -5.823 1.00 0.00 C ATOM 42 C ILE A 4 -7.874 -6.977 -5.944 1.00 0.00 C ATOM 43 O ILE A 4 -6.905 -6.884 -5.183 1.00 0.00 O ATOM 44 CB ILE A 4 -8.665 -4.577 -6.173 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.761 -3.515 -5.936 1.00 0.00 C ATOM 46 CG2 ILE A 4 -8.288 -4.511 -7.666 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.848 -3.027 -4.487 1.00 0.00 C ATOM 0 H ILE A 4 -8.862 -5.752 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.875 -6.277 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.839 -4.340 -5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.572 -2.661 -6.586 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.725 -3.931 -6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.001 -3.492 -7.924 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.452 -5.183 -7.860 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.144 -4.811 -8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.640 -2.283 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -10.068 -3.870 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.897 -2.580 -4.196 1.00 0.00 H new ATOM 59 N ALA A 5 -7.943 -7.885 -6.912 1.00 0.00 N ATOM 60 CA ALA A 5 -6.868 -8.814 -7.190 1.00 0.00 C ATOM 61 C ALA A 5 -5.877 -8.069 -8.082 1.00 0.00 C ATOM 62 O ALA A 5 -6.126 -7.907 -9.278 1.00 0.00 O ATOM 63 CB ALA A 5 -7.439 -10.060 -7.882 1.00 0.00 C ATOM 0 H ALA A 5 -8.751 -7.993 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.367 -9.156 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.632 -10.761 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.171 -10.535 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.920 -9.769 -8.816 1.00 0.00 H new ATOM 69 N ILE A 6 -4.775 -7.585 -7.510 1.00 0.00 N ATOM 70 CA ILE A 6 -3.740 -6.850 -8.236 1.00 0.00 C ATOM 71 C ILE A 6 -2.602 -7.828 -8.566 1.00 0.00 C ATOM 72 O ILE A 6 -2.711 -9.009 -8.242 1.00 0.00 O ATOM 73 CB ILE A 6 -3.364 -5.549 -7.482 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.927 -5.654 -6.004 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.577 -4.609 -7.498 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.512 -6.185 -5.810 1.00 0.00 C ATOM 0 H ILE A 6 -4.573 -7.694 -6.516 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.085 -6.474 -9.199 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.483 -5.203 -8.022 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.000 -4.669 -5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.624 -6.305 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.330 -3.687 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.844 -4.377 -8.529 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.420 -5.094 -7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.282 -6.228 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.437 -7.184 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.803 -5.523 -6.307 1.00 0.00 H new ATOM 88 N THR A 7 -1.523 -7.382 -9.214 1.00 0.00 N ATOM 89 CA THR A 7 -0.458 -8.270 -9.696 1.00 0.00 C ATOM 90 C THR A 7 0.899 -8.027 -9.016 1.00 0.00 C ATOM 91 O THR A 7 1.940 -8.326 -9.588 1.00 0.00 O ATOM 92 CB THR A 7 -0.476 -8.211 -11.239 1.00 0.00 C ATOM 93 OG1 THR A 7 0.320 -9.218 -11.824 1.00 0.00 O ATOM 94 CG2 THR A 7 -0.086 -6.854 -11.831 1.00 0.00 C ATOM 0 H THR A 7 -1.362 -6.396 -9.420 1.00 0.00 H new ATOM 0 HA THR A 7 -0.646 -9.303 -9.402 1.00 0.00 H new ATOM 0 HB THR A 7 -1.523 -8.380 -11.488 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.161 -9.300 -11.328 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.127 -6.906 -12.919 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.779 -6.090 -11.478 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.926 -6.598 -11.518 1.00 0.00 H new ATOM 102 N CYS A 8 0.919 -7.455 -7.807 1.00 0.00 N ATOM 103 CA CYS A 8 2.112 -7.050 -7.047 1.00 0.00 C ATOM 104 C CYS A 8 3.171 -6.213 -7.787 1.00 0.00 C ATOM 105 O CYS A 8 4.194 -5.870 -7.201 1.00 0.00 O ATOM 106 CB CYS A 8 2.801 -8.306 -6.497 1.00 0.00 C ATOM 107 SG CYS A 8 2.187 -9.075 -4.981 1.00 0.00 S ATOM 0 H CYS A 8 0.056 -7.250 -7.303 1.00 0.00 H new ATOM 0 HA CYS A 8 1.719 -6.387 -6.277 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.771 -9.063 -7.281 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.850 -8.057 -6.334 1.00 0.00 H new ATOM 112 N PHE A 9 2.849 -5.687 -8.960 1.00 0.00 N ATOM 113 CA PHE A 9 3.695 -4.765 -9.713 1.00 0.00 C ATOM 114 C PHE A 9 2.967 -3.415 -9.799 1.00 0.00 C ATOM 115 O PHE A 9 3.572 -2.372 -10.041 1.00 0.00 O ATOM 116 CB PHE A 9 4.002 -5.409 -11.069 1.00 0.00 C ATOM 117 CG PHE A 9 5.226 -4.882 -11.790 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.496 -4.966 -11.190 1.00 0.00 C ATOM 119 CD2 PHE A 9 5.121 -4.455 -13.124 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.647 -4.618 -11.918 1.00 0.00 C ATOM 121 CE2 PHE A 9 6.274 -4.144 -13.865 1.00 0.00 C ATOM 122 CZ PHE A 9 7.539 -4.219 -13.259 1.00 0.00 C ATOM 0 H PHE A 9 1.968 -5.894 -9.430 1.00 0.00 H new ATOM 0 HA PHE A 9 4.655 -4.570 -9.234 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.126 -6.482 -10.920 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.136 -5.275 -11.718 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.587 -5.299 -10.167 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.148 -4.365 -13.583 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.617 -4.658 -11.444 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.187 -3.847 -14.900 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.426 -3.970 -13.823 1.00 0.00 H new ATOM 132 N THR A 10 1.662 -3.457 -9.517 1.00 0.00 N ATOM 133 CA THR A 10 0.708 -2.387 -9.381 1.00 0.00 C ATOM 134 C THR A 10 1.215 -1.389 -8.348 1.00 0.00 C ATOM 135 O THR A 10 1.408 -1.725 -7.176 1.00 0.00 O ATOM 136 CB THR A 10 -0.619 -3.034 -8.947 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.904 -4.152 -9.779 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.798 -2.063 -8.980 1.00 0.00 C ATOM 0 H THR A 10 1.209 -4.358 -9.363 1.00 0.00 H new ATOM 0 HA THR A 10 0.565 -1.840 -10.313 1.00 0.00 H new ATOM 0 HB THR A 10 -0.491 -3.349 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.862 -4.172 -9.983 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.704 -2.580 -8.663 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.602 -1.229 -8.306 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.931 -1.686 -9.994 1.00 0.00 H new ATOM 146 N ARG A 11 1.479 -0.168 -8.794 1.00 0.00 N ATOM 147 CA ARG A 11 1.843 0.939 -7.931 1.00 0.00 C ATOM 148 C ARG A 11 0.584 1.560 -7.350 1.00 0.00 C ATOM 149 O ARG A 11 -0.512 1.406 -7.897 1.00 0.00 O ATOM 150 CB ARG A 11 2.641 1.939 -8.772 1.00 0.00 C ATOM 151 CG ARG A 11 4.013 1.350 -9.129 1.00 0.00 C ATOM 152 CD ARG A 11 4.648 2.091 -10.301 1.00 0.00 C ATOM 153 NE ARG A 11 3.995 1.697 -11.563 1.00 0.00 N ATOM 154 CZ ARG A 11 4.552 1.655 -12.779 1.00 0.00 C ATOM 155 NH1 ARG A 11 5.867 1.759 -12.922 1.00 0.00 N ATOM 156 NH2 ARG A 11 3.778 1.521 -13.853 1.00 0.00 N ATOM 0 H ARG A 11 1.445 0.081 -9.782 1.00 0.00 H new ATOM 0 HA ARG A 11 2.457 0.611 -7.093 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.092 2.180 -9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.769 2.870 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.671 1.405 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.904 0.295 -9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.555 3.167 -10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.714 1.867 -10.349 1.00 0.00 H new ATOM 0 HE ARG A 11 3.013 1.427 -11.503 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.462 1.872 -12.101 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.283 1.726 -13.853 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.766 1.451 -13.747 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.197 1.488 -14.783 1.00 0.00 H new ATOM 170 N GLY A 12 0.757 2.364 -6.304 1.00 0.00 N ATOM 171 CA GLY A 12 -0.311 3.147 -5.699 1.00 0.00 C ATOM 172 C GLY A 12 -0.841 4.239 -6.634 1.00 0.00 C ATOM 173 O GLY A 12 -1.647 5.065 -6.212 1.00 0.00 O ATOM 0 H GLY A 12 1.660 2.490 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.130 2.484 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.055 3.606 -4.781 1.00 0.00 H new ATOM 177 N LEU A 13 -0.356 4.304 -7.878 1.00 0.00 N ATOM 178 CA LEU A 13 -0.821 5.173 -8.945 1.00 0.00 C ATOM 179 C LEU A 13 -2.212 4.710 -9.370 1.00 0.00 C ATOM 180 O LEU A 13 -3.084 5.539 -9.618 1.00 0.00 O ATOM 181 CB LEU A 13 0.144 5.078 -10.141 1.00 0.00 C ATOM 182 CG LEU A 13 1.575 5.584 -9.867 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.484 5.245 -11.049 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.651 7.097 -9.620 1.00 0.00 C ATOM 0 H LEU A 13 0.419 3.712 -8.177 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.859 6.207 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.198 4.038 -10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.274 5.647 -10.971 1.00 0.00 H new ATOM 0 HG LEU A 13 1.902 5.081 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.493 5.606 -10.847 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.507 4.165 -11.192 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.101 5.723 -11.951 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.686 7.384 -9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.279 7.628 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.042 7.355 -8.754 1.00 0.00 H new ATOM 196 N ASP A 14 -2.417 3.393 -9.450 1.00 0.00 N ATOM 197 CA ASP A 14 -3.651 2.794 -9.946 1.00 0.00 C ATOM 198 C ASP A 14 -4.780 2.867 -8.927 1.00 0.00 C ATOM 199 O ASP A 14 -5.916 3.182 -9.288 1.00 0.00 O ATOM 200 CB ASP A 14 -3.433 1.309 -10.286 1.00 0.00 C ATOM 201 CG ASP A 14 -2.784 1.056 -11.642 1.00 0.00 C ATOM 202 OD1 ASP A 14 -2.746 1.971 -12.500 1.00 0.00 O ATOM 203 OD2 ASP A 14 -2.385 -0.099 -11.892 1.00 0.00 O ATOM 0 H ASP A 14 -1.718 2.706 -9.167 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.928 3.364 -10.833 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.811 0.860 -9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.396 0.798 -10.258 1.00 0.00 H new ATOM 208 N ILE A 15 -4.477 2.580 -7.658 1.00 0.00 N ATOM 209 CA ILE A 15 -5.456 2.463 -6.584 1.00 0.00 C ATOM 210 C ILE A 15 -5.310 3.645 -5.622 1.00 0.00 C ATOM 211 O ILE A 15 -4.476 3.641 -4.713 1.00 0.00 O ATOM 212 CB ILE A 15 -5.361 1.040 -5.967 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.722 0.000 -7.062 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.273 0.826 -4.747 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.839 -1.449 -6.582 1.00 0.00 C ATOM 0 H ILE A 15 -3.519 2.419 -7.346 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.483 2.542 -6.942 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.338 0.917 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.669 0.291 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.965 0.045 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.149 -0.191 -4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.005 1.535 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.312 0.982 -5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.094 -2.092 -7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.888 -1.769 -6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.618 -1.519 -5.823 1.00 0.00 H new ATOM 227 N ARG A 16 -6.146 4.665 -5.837 1.00 0.00 N ATOM 228 CA ARG A 16 -6.301 5.862 -5.011 1.00 0.00 C ATOM 229 C ARG A 16 -7.784 6.032 -4.675 1.00 0.00 C ATOM 230 O ARG A 16 -8.396 7.057 -4.982 1.00 0.00 O ATOM 231 CB ARG A 16 -5.712 7.080 -5.739 1.00 0.00 C ATOM 232 CG ARG A 16 -4.189 6.993 -5.933 1.00 0.00 C ATOM 233 CD ARG A 16 -3.639 8.114 -6.822 1.00 0.00 C ATOM 234 NE ARG A 16 -3.916 7.840 -8.235 1.00 0.00 N ATOM 235 CZ ARG A 16 -5.002 8.180 -8.924 1.00 0.00 C ATOM 236 NH1 ARG A 16 -5.840 9.108 -8.468 1.00 0.00 N ATOM 237 NH2 ARG A 16 -5.258 7.549 -10.058 1.00 0.00 N ATOM 0 H ARG A 16 -6.771 4.676 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.752 5.764 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.191 7.179 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.949 7.982 -5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.700 7.034 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.938 6.029 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.089 9.065 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.564 8.211 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.195 7.332 -8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.654 9.570 -7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.668 9.357 -9.009 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.628 6.818 -10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.085 7.794 -10.602 1.00 0.00 H new ATOM 251 N LYS A 17 -8.385 4.971 -4.135 1.00 0.00 N ATOM 252 CA LYS A 17 -9.752 4.961 -3.614 1.00 0.00 C ATOM 253 C LYS A 17 -9.637 5.344 -2.137 1.00 0.00 C ATOM 254 O LYS A 17 -8.515 5.342 -1.620 1.00 0.00 O ATOM 255 CB LYS A 17 -10.398 3.577 -3.829 1.00 0.00 C ATOM 256 CG LYS A 17 -10.581 3.244 -5.326 1.00 0.00 C ATOM 257 CD LYS A 17 -9.385 2.493 -5.939 1.00 0.00 C ATOM 258 CE LYS A 17 -9.257 2.676 -7.458 1.00 0.00 C ATOM 259 NZ LYS A 17 -10.336 2.030 -8.222 1.00 0.00 N ATOM 0 H LYS A 17 -7.920 4.068 -4.046 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.403 5.666 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.778 2.812 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.367 3.549 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.480 2.640 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.741 4.170 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.467 2.837 -5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.481 1.430 -5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.248 3.741 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.299 2.271 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.187 2.193 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.332 1.008 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.252 2.432 -7.937 1.00 0.00 H new ATOM 273 N GLU A 18 -10.738 5.618 -1.422 1.00 0.00 N ATOM 274 CA GLU A 18 -10.587 6.116 -0.048 1.00 0.00 C ATOM 275 C GLU A 18 -9.803 5.095 0.792 1.00 0.00 C ATOM 276 O GLU A 18 -8.862 5.455 1.504 1.00 0.00 O ATOM 277 CB GLU A 18 -11.908 6.527 0.609 1.00 0.00 C ATOM 278 CG GLU A 18 -11.557 7.492 1.755 1.00 0.00 C ATOM 279 CD GLU A 18 -12.666 7.719 2.775 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.853 7.833 2.401 1.00 0.00 O ATOM 281 OE2 GLU A 18 -12.332 7.783 3.985 1.00 0.00 O ATOM 0 H GLU A 18 -11.698 5.510 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.014 7.042 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.565 7.010 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.438 5.654 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.680 7.108 2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.278 8.454 1.326 1.00 0.00 H new ATOM 288 N LYS A 19 -10.145 3.818 0.647 1.00 0.00 N ATOM 289 CA LYS A 19 -9.459 2.672 1.226 1.00 0.00 C ATOM 290 C LYS A 19 -9.737 1.516 0.275 1.00 0.00 C ATOM 291 O LYS A 19 -10.809 1.480 -0.347 1.00 0.00 O ATOM 292 CB LYS A 19 -9.888 2.403 2.681 1.00 0.00 C ATOM 293 CG LYS A 19 -11.381 2.092 2.841 1.00 0.00 C ATOM 294 CD LYS A 19 -11.810 1.965 4.306 1.00 0.00 C ATOM 295 CE LYS A 19 -11.403 0.634 4.946 1.00 0.00 C ATOM 296 NZ LYS A 19 -12.039 0.465 6.270 1.00 0.00 N ATOM 0 H LYS A 19 -10.954 3.542 0.091 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.386 2.841 1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.309 1.566 3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.641 3.273 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.964 2.880 2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.612 1.164 2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.372 2.783 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.893 2.075 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.690 -0.190 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.319 0.594 5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.304 0.337 6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.603 1.310 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.658 -0.370 6.254 1.00 0.00 H new ATOM 310 N ALA A 20 -8.800 0.594 0.117 1.00 0.00 N ATOM 311 CA ALA A 20 -8.898 -0.485 -0.847 1.00 0.00 C ATOM 312 C ALA A 20 -8.315 -1.733 -0.220 1.00 0.00 C ATOM 313 O ALA A 20 -7.208 -1.703 0.316 1.00 0.00 O ATOM 314 CB ALA A 20 -8.150 -0.110 -2.130 1.00 0.00 C ATOM 0 H ALA A 20 -7.939 0.576 0.664 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.939 -0.667 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.229 -0.926 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.588 0.792 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.100 0.071 -1.899 1.00 0.00 H new ATOM 320 N ASP A 21 -9.041 -2.834 -0.324 1.00 0.00 N ATOM 321 CA ASP A 21 -8.579 -4.130 0.144 1.00 0.00 C ATOM 322 C ASP A 21 -7.953 -4.749 -1.097 1.00 0.00 C ATOM 323 O ASP A 21 -8.608 -4.792 -2.139 1.00 0.00 O ATOM 324 CB ASP A 21 -9.756 -4.974 0.660 1.00 0.00 C ATOM 325 CG ASP A 21 -10.554 -4.306 1.773 1.00 0.00 C ATOM 326 OD1 ASP A 21 -9.960 -3.765 2.727 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.807 -4.324 1.696 1.00 0.00 O ATOM 0 H ASP A 21 -9.973 -2.854 -0.738 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.880 -4.063 0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.425 -5.193 -0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.374 -5.929 1.022 1.00 0.00 H new ATOM 332 N VAL A 22 -6.682 -5.146 -1.059 1.00 0.00 N ATOM 333 CA VAL A 22 -5.991 -5.634 -2.251 1.00 0.00 C ATOM 334 C VAL A 22 -5.257 -6.939 -1.937 1.00 0.00 C ATOM 335 O VAL A 22 -4.727 -7.106 -0.840 1.00 0.00 O ATOM 336 CB VAL A 22 -5.091 -4.530 -2.863 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.826 -3.196 -3.078 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.834 -4.214 -2.038 1.00 0.00 C ATOM 0 H VAL A 22 -6.110 -5.139 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.719 -5.873 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.801 -4.966 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.139 -2.467 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.665 -3.348 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.195 -2.826 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.260 -3.432 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.127 -3.874 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.222 -5.112 -1.948 1.00 0.00 H new ATOM 348 N LEU A 23 -5.209 -7.866 -2.896 1.00 0.00 N ATOM 349 CA LEU A 23 -4.446 -9.116 -2.807 1.00 0.00 C ATOM 350 C LEU A 23 -3.233 -9.004 -3.693 1.00 0.00 C ATOM 351 O LEU A 23 -3.377 -8.729 -4.886 1.00 0.00 O ATOM 352 CB LEU A 23 -5.266 -10.369 -3.173 1.00 0.00 C ATOM 353 CG LEU A 23 -6.162 -10.951 -2.063 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.351 -11.919 -1.193 1.00 0.00 C ATOM 355 CD2 LEU A 23 -6.800 -9.901 -1.156 1.00 0.00 C ATOM 0 H LEU A 23 -5.711 -7.767 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.156 -9.249 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.896 -10.127 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.575 -11.147 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.975 -11.460 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.990 -12.327 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.970 -12.732 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.515 -11.387 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.414 -10.395 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.018 -9.322 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.424 -9.235 -1.753 1.00 0.00 H new ATOM 367 N CYS A 24 -2.063 -9.228 -3.105 1.00 0.00 N ATOM 368 CA CYS A 24 -0.774 -9.150 -3.752 1.00 0.00 C ATOM 369 C CYS A 24 -0.273 -10.590 -3.967 1.00 0.00 C ATOM 370 O CYS A 24 0.141 -11.222 -2.995 1.00 0.00 O ATOM 371 CB CYS A 24 0.153 -8.305 -2.869 1.00 0.00 C ATOM 372 SG CYS A 24 1.569 -7.590 -3.730 1.00 0.00 S ATOM 0 H CYS A 24 -1.993 -9.480 -2.119 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.815 -8.666 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.429 -7.498 -2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.518 -8.926 -2.051 1.00 0.00 H new ATOM 377 N PRO A 25 -0.352 -11.141 -5.191 1.00 0.00 N ATOM 378 CA PRO A 25 -0.006 -12.522 -5.481 1.00 0.00 C ATOM 379 C PRO A 25 1.446 -12.691 -5.944 1.00 0.00 C ATOM 380 O PRO A 25 2.078 -11.779 -6.484 1.00 0.00 O ATOM 381 CB PRO A 25 -0.955 -12.895 -6.616 1.00 0.00 C ATOM 382 CG PRO A 25 -1.005 -11.608 -7.439 1.00 0.00 C ATOM 383 CD PRO A 25 -0.904 -10.516 -6.377 1.00 0.00 C ATOM 0 HA PRO A 25 -0.097 -13.147 -4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.580 -13.736 -7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.940 -13.179 -6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.183 -11.554 -8.153 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.930 -11.530 -8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.265 -9.701 -6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.884 -10.087 -6.168 1.00 0.00 H new ATOM 391 N GLY A 26 1.926 -13.927 -5.885 1.00 0.00 N ATOM 392 CA GLY A 26 3.294 -14.311 -6.185 1.00 0.00 C ATOM 393 C GLY A 26 4.232 -13.927 -5.044 1.00 0.00 C ATOM 394 O GLY A 26 3.851 -13.216 -4.114 1.00 0.00 O ATOM 0 H GLY A 26 1.345 -14.721 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.345 -15.386 -6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.618 -13.826 -7.106 1.00 0.00 H new ATOM 398 N GLY A 27 5.478 -14.387 -5.121 1.00 0.00 N ATOM 399 CA GLY A 27 6.458 -14.194 -4.062 1.00 0.00 C ATOM 400 C GLY A 27 6.978 -12.760 -4.002 1.00 0.00 C ATOM 401 O GLY A 27 7.470 -12.354 -2.948 1.00 0.00 O ATOM 0 H GLY A 27 5.835 -14.906 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.009 -14.455 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.295 -14.875 -4.217 1.00 0.00 H new ATOM 405 N CYS A 28 6.822 -11.998 -5.095 1.00 0.00 N ATOM 406 CA CYS A 28 7.200 -10.597 -5.280 1.00 0.00 C ATOM 407 C CYS A 28 8.570 -10.270 -4.647 1.00 0.00 C ATOM 408 O CYS A 28 8.612 -9.680 -3.563 1.00 0.00 O ATOM 409 CB CYS A 28 6.058 -9.686 -4.805 1.00 0.00 C ATOM 410 SG CYS A 28 6.240 -7.942 -5.254 1.00 0.00 S ATOM 0 H CYS A 28 6.393 -12.381 -5.938 1.00 0.00 H new ATOM 0 HA CYS A 28 7.344 -10.405 -6.343 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.120 -10.057 -5.219 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.980 -9.761 -3.720 1.00 0.00 H new ATOM 415 N PRO A 29 9.686 -10.674 -5.286 1.00 0.00 N ATOM 416 CA PRO A 29 11.048 -10.411 -4.817 1.00 0.00 C ATOM 417 C PRO A 29 11.391 -8.928 -4.943 1.00 0.00 C ATOM 418 O PRO A 29 10.529 -8.125 -5.292 1.00 0.00 O ATOM 419 CB PRO A 29 11.937 -11.261 -5.728 1.00 0.00 C ATOM 420 CG PRO A 29 11.190 -11.254 -7.056 1.00 0.00 C ATOM 421 CD PRO A 29 9.726 -11.260 -6.622 1.00 0.00 C ATOM 0 HA PRO A 29 11.180 -10.660 -3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.935 -10.835 -5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.059 -12.273 -5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.432 -10.373 -7.651 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.435 -12.126 -7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.114 -10.685 -7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.329 -12.275 -6.612 1.00 0.00 H new ATOM 429 N LEU A 30 12.649 -8.561 -4.667 1.00 0.00 N ATOM 430 CA LEU A 30 13.191 -7.211 -4.863 1.00 0.00 C ATOM 431 C LEU A 30 13.331 -6.947 -6.379 1.00 0.00 C ATOM 432 O LEU A 30 14.425 -6.798 -6.911 1.00 0.00 O ATOM 433 CB LEU A 30 14.555 -7.060 -4.149 1.00 0.00 C ATOM 434 CG LEU A 30 14.569 -7.275 -2.622 1.00 0.00 C ATOM 435 CD1 LEU A 30 16.003 -7.150 -2.098 1.00 0.00 C ATOM 436 CD2 LEU A 30 13.679 -6.278 -1.875 1.00 0.00 C ATOM 0 H LEU A 30 13.337 -9.214 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 30 12.512 -6.478 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 30 15.253 -7.767 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.937 -6.060 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 30 14.173 -8.274 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.011 -7.302 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.632 -7.902 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.389 -6.157 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.728 -6.477 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.025 -5.263 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.649 -6.383 -2.216 1.00 0.00 H new ATOM 448 N GLU A 31 12.195 -6.937 -7.065 1.00 0.00 N ATOM 449 CA GLU A 31 11.971 -6.804 -8.495 1.00 0.00 C ATOM 450 C GLU A 31 12.128 -5.338 -8.917 1.00 0.00 C ATOM 451 O GLU A 31 13.079 -4.974 -9.599 1.00 0.00 O ATOM 452 CB GLU A 31 10.555 -7.359 -8.714 1.00 0.00 C ATOM 453 CG GLU A 31 10.010 -7.273 -10.137 1.00 0.00 C ATOM 454 CD GLU A 31 8.630 -7.930 -10.188 1.00 0.00 C ATOM 455 OE1 GLU A 31 7.720 -7.525 -9.433 1.00 0.00 O ATOM 456 OE2 GLU A 31 8.449 -8.891 -10.973 1.00 0.00 O ATOM 0 H GLU A 31 11.307 -7.033 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 31 12.690 -7.348 -9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.545 -8.405 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.872 -6.826 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.942 -6.231 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.689 -7.771 -10.830 1.00 0.00 H new ATOM 463 N GLU A 32 11.189 -4.488 -8.503 1.00 0.00 N ATOM 464 CA GLU A 32 11.228 -3.047 -8.683 1.00 0.00 C ATOM 465 C GLU A 32 10.611 -2.437 -7.432 1.00 0.00 C ATOM 466 O GLU A 32 9.385 -2.271 -7.409 1.00 0.00 O ATOM 467 CB GLU A 32 10.419 -2.514 -9.895 1.00 0.00 C ATOM 468 CG GLU A 32 11.007 -2.548 -11.314 1.00 0.00 C ATOM 469 CD GLU A 32 10.264 -1.540 -12.224 1.00 0.00 C ATOM 470 OE1 GLU A 32 10.040 -0.375 -11.814 1.00 0.00 O ATOM 471 OE2 GLU A 32 9.848 -1.876 -13.357 1.00 0.00 O ATOM 0 H GLU A 32 10.350 -4.802 -8.015 1.00 0.00 H new ATOM 0 HA GLU A 32 12.269 -2.777 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.482 -3.071 -9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.166 -1.476 -9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.069 -2.305 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.922 -3.553 -11.727 1.00 0.00 H new ATOM 478 N PHE A 33 11.382 -2.152 -6.374 1.00 0.00 N ATOM 479 CA PHE A 33 10.802 -1.433 -5.256 1.00 0.00 C ATOM 480 C PHE A 33 11.629 -0.169 -5.127 1.00 0.00 C ATOM 481 O PHE A 33 12.804 -0.196 -4.774 1.00 0.00 O ATOM 482 CB PHE A 33 10.829 -2.236 -3.947 1.00 0.00 C ATOM 483 CG PHE A 33 10.140 -3.586 -3.923 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.017 -3.861 -4.726 1.00 0.00 C ATOM 485 CD2 PHE A 33 10.632 -4.583 -3.062 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.468 -5.150 -4.745 1.00 0.00 C ATOM 487 CE2 PHE A 33 10.018 -5.843 -3.006 1.00 0.00 C ATOM 488 CZ PHE A 33 8.947 -6.130 -3.863 1.00 0.00 C ATOM 0 H PHE A 33 12.367 -2.400 -6.278 1.00 0.00 H new ATOM 0 HA PHE A 33 9.747 -1.230 -5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.872 -2.389 -3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.381 -1.619 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.579 -3.078 -5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.490 -4.377 -2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.676 -5.389 -5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.369 -6.587 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.489 -7.108 -3.844 1.00 0.00 H new ATOM 498 N SER A 34 10.986 0.950 -5.411 1.00 0.00 N ATOM 499 CA SER A 34 11.503 2.284 -5.229 1.00 0.00 C ATOM 500 C SER A 34 10.367 2.862 -4.406 1.00 0.00 C ATOM 501 O SER A 34 9.240 2.931 -4.911 1.00 0.00 O ATOM 502 CB SER A 34 11.738 2.943 -6.598 1.00 0.00 C ATOM 503 OG SER A 34 12.585 4.073 -6.498 1.00 0.00 O ATOM 0 H SER A 34 10.041 0.946 -5.794 1.00 0.00 H new ATOM 0 HA SER A 34 12.473 2.401 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.180 2.217 -7.280 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.782 3.242 -7.027 1.00 0.00 H new ATOM 0 HG SER A 34 12.112 4.866 -6.826 1.00 0.00 H new ATOM 509 N VAL A 35 10.589 3.197 -3.142 1.00 0.00 N ATOM 510 CA VAL A 35 9.507 3.632 -2.274 1.00 0.00 C ATOM 511 C VAL A 35 9.805 5.087 -1.976 1.00 0.00 C ATOM 512 O VAL A 35 10.954 5.543 -2.027 1.00 0.00 O ATOM 513 CB VAL A 35 9.377 2.710 -1.040 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.238 3.125 -0.102 1.00 0.00 C ATOM 515 CG2 VAL A 35 9.054 1.269 -1.460 1.00 0.00 C ATOM 0 H VAL A 35 11.507 3.175 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 35 8.521 3.557 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 35 10.338 2.789 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.197 2.440 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.414 4.138 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.292 3.092 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.968 0.642 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.112 1.252 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.852 0.888 -2.097 1.00 0.00 H new ATOM 525 N TYR A 36 8.750 5.837 -1.709 1.00 0.00 N ATOM 526 CA TYR A 36 8.856 7.256 -1.533 1.00 0.00 C ATOM 527 C TYR A 36 7.992 7.612 -0.336 1.00 0.00 C ATOM 528 O TYR A 36 6.767 7.554 -0.426 1.00 0.00 O ATOM 529 CB TYR A 36 8.473 7.966 -2.830 1.00 0.00 C ATOM 530 CG TYR A 36 9.266 7.612 -4.075 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.972 6.435 -4.789 1.00 0.00 C ATOM 532 CD2 TYR A 36 10.285 8.472 -4.532 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.732 6.080 -5.914 1.00 0.00 C ATOM 534 CE2 TYR A 36 11.051 8.122 -5.658 1.00 0.00 C ATOM 535 CZ TYR A 36 10.793 6.909 -6.335 1.00 0.00 C ATOM 536 OH TYR A 36 11.559 6.547 -7.397 1.00 0.00 O ATOM 0 H TYR A 36 7.803 5.471 -1.610 1.00 0.00 H new ATOM 0 HA TYR A 36 9.873 7.587 -1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.421 7.761 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.563 9.040 -2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.157 5.802 -4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.478 9.401 -4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.505 5.174 -6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.835 8.779 -6.005 1.00 0.00 H new ATOM 0 HH TYR A 36 12.244 7.230 -7.554 1.00 0.00 H new ATOM 546 N GLY A 37 8.648 7.910 0.781 1.00 0.00 N ATOM 547 CA GLY A 37 8.051 8.222 2.060 1.00 0.00 C ATOM 548 C GLY A 37 7.793 6.945 2.854 1.00 0.00 C ATOM 549 O GLY A 37 7.432 5.910 2.295 1.00 0.00 O ATOM 0 H GLY A 37 9.667 7.940 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.710 8.882 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.115 8.759 1.910 1.00 0.00 H new ATOM 553 N ASN A 38 8.034 7.008 4.162 1.00 0.00 N ATOM 554 CA ASN A 38 7.748 5.945 5.118 1.00 0.00 C ATOM 555 C ASN A 38 6.387 6.257 5.725 1.00 0.00 C ATOM 556 O ASN A 38 6.131 7.417 6.055 1.00 0.00 O ATOM 557 CB ASN A 38 8.830 5.879 6.210 1.00 0.00 C ATOM 558 CG ASN A 38 8.779 7.048 7.192 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.992 8.198 6.815 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.497 6.782 8.453 1.00 0.00 N ATOM 0 H ASN A 38 8.449 7.831 4.599 1.00 0.00 H new ATOM 0 HA ASN A 38 7.742 4.973 4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.720 4.946 6.763 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.811 5.856 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.452 7.538 9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.323 5.820 8.745 1.00 0.00 H new ATOM 567 N ILE A 39 5.538 5.243 5.921 1.00 0.00 N ATOM 568 CA ILE A 39 4.145 5.354 6.367 1.00 0.00 C ATOM 569 C ILE A 39 3.313 6.091 5.319 1.00 0.00 C ATOM 570 O ILE A 39 2.368 5.507 4.799 1.00 0.00 O ATOM 571 CB ILE A 39 4.014 5.885 7.816 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.595 4.896 8.847 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.555 6.209 8.168 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.975 3.493 8.778 1.00 0.00 C ATOM 0 H ILE A 39 5.817 4.274 5.765 1.00 0.00 H new ATOM 0 HA ILE A 39 3.718 4.354 6.440 1.00 0.00 H new ATOM 0 HB ILE A 39 4.596 6.805 7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.671 4.815 8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.446 5.300 9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.501 6.579 9.192 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.177 6.971 7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.950 5.307 8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.434 2.855 9.533 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.903 3.560 8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.147 3.067 7.789 1.00 0.00 H new ATOM 586 N VAL A 40 3.614 7.355 5.039 1.00 0.00 N ATOM 587 CA VAL A 40 2.998 8.111 3.975 1.00 0.00 C ATOM 588 C VAL A 40 3.774 7.638 2.750 1.00 0.00 C ATOM 589 O VAL A 40 4.828 8.181 2.422 1.00 0.00 O ATOM 590 CB VAL A 40 3.180 9.616 4.254 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.727 10.496 3.080 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.394 10.033 5.503 1.00 0.00 C ATOM 0 H VAL A 40 4.310 7.886 5.562 1.00 0.00 H new ATOM 0 HA VAL A 40 1.924 7.966 3.858 1.00 0.00 H new ATOM 0 HB VAL A 40 4.249 9.768 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.878 11.546 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.311 10.248 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.670 10.320 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.535 11.099 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.334 9.828 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.753 9.469 6.364 1.00 0.00 H new ATOM 602 N TYR A 41 3.248 6.628 2.076 1.00 0.00 N ATOM 603 CA TYR A 41 3.783 6.123 0.835 1.00 0.00 C ATOM 604 C TYR A 41 3.181 6.976 -0.264 1.00 0.00 C ATOM 605 O TYR A 41 1.960 7.003 -0.439 1.00 0.00 O ATOM 606 CB TYR A 41 3.431 4.637 0.685 1.00 0.00 C ATOM 607 CG TYR A 41 4.056 3.797 1.783 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.449 3.639 1.815 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.275 3.295 2.839 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.078 3.007 2.899 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.893 2.674 3.939 1.00 0.00 C ATOM 612 CZ TYR A 41 5.300 2.538 3.977 1.00 0.00 C ATOM 613 OH TYR A 41 5.910 2.045 5.087 1.00 0.00 O ATOM 0 H TYR A 41 2.416 6.128 2.390 1.00 0.00 H new ATOM 0 HA TYR A 41 4.871 6.184 0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.348 4.516 0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.773 4.279 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.046 4.009 0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.199 3.386 2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.151 2.881 2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.293 2.301 4.755 1.00 0.00 H new ATOM 0 HH TYR A 41 6.825 1.774 4.864 1.00 0.00 H new ATOM 623 N ALA A 42 4.008 7.750 -0.962 1.00 0.00 N ATOM 624 CA ALA A 42 3.536 8.486 -2.115 1.00 0.00 C ATOM 625 C ALA A 42 3.130 7.451 -3.162 1.00 0.00 C ATOM 626 O ALA A 42 3.779 6.410 -3.317 1.00 0.00 O ATOM 627 CB ALA A 42 4.609 9.427 -2.646 1.00 0.00 C ATOM 0 H ALA A 42 4.997 7.879 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 42 2.687 9.117 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.224 9.966 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.885 10.139 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.487 8.850 -2.938 1.00 0.00 H new ATOM 633 N SER A 43 2.080 7.787 -3.901 1.00 0.00 N ATOM 634 CA SER A 43 1.384 6.972 -4.882 1.00 0.00 C ATOM 635 C SER A 43 2.296 6.230 -5.874 1.00 0.00 C ATOM 636 O SER A 43 1.966 5.120 -6.273 1.00 0.00 O ATOM 637 CB SER A 43 0.391 7.933 -5.539 1.00 0.00 C ATOM 638 OG SER A 43 -0.311 7.397 -6.621 1.00 0.00 O ATOM 0 H SER A 43 1.661 8.713 -3.821 1.00 0.00 H new ATOM 0 HA SER A 43 0.880 6.130 -4.407 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.325 8.264 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.931 8.818 -5.876 1.00 0.00 H new ATOM 0 HG SER A 43 -0.859 6.645 -6.315 1.00 0.00 H new ATOM 644 N VAL A 44 3.457 6.770 -6.239 1.00 0.00 N ATOM 645 CA VAL A 44 4.390 6.121 -7.163 1.00 0.00 C ATOM 646 C VAL A 44 4.956 4.795 -6.614 1.00 0.00 C ATOM 647 O VAL A 44 5.406 3.960 -7.396 1.00 0.00 O ATOM 648 CB VAL A 44 5.469 7.160 -7.547 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.119 7.829 -6.320 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.554 6.615 -8.483 1.00 0.00 C ATOM 0 H VAL A 44 3.781 7.676 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 44 3.867 5.808 -8.067 1.00 0.00 H new ATOM 0 HB VAL A 44 4.917 7.919 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.868 8.548 -6.652 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.354 8.344 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.595 7.069 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.273 7.404 -8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.066 5.783 -8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.095 6.270 -9.410 1.00 0.00 H new ATOM 660 N SER A 45 4.918 4.570 -5.298 1.00 0.00 N ATOM 661 CA SER A 45 5.452 3.361 -4.684 1.00 0.00 C ATOM 662 C SER A 45 4.660 2.118 -5.124 1.00 0.00 C ATOM 663 O SER A 45 3.435 2.170 -5.263 1.00 0.00 O ATOM 664 CB SER A 45 5.402 3.509 -3.156 1.00 0.00 C ATOM 665 OG SER A 45 5.981 4.735 -2.725 1.00 0.00 O ATOM 0 H SER A 45 4.514 5.226 -4.630 1.00 0.00 H new ATOM 0 HA SER A 45 6.484 3.228 -5.009 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.366 3.458 -2.820 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.929 2.675 -2.693 1.00 0.00 H new ATOM 0 HG SER A 45 5.329 5.459 -2.829 1.00 0.00 H new ATOM 671 N SER A 46 5.354 0.992 -5.319 1.00 0.00 N ATOM 672 CA SER A 46 4.758 -0.306 -5.603 1.00 0.00 C ATOM 673 C SER A 46 3.910 -0.699 -4.392 1.00 0.00 C ATOM 674 O SER A 46 4.280 -0.380 -3.255 1.00 0.00 O ATOM 675 CB SER A 46 5.883 -1.321 -5.856 1.00 0.00 C ATOM 676 OG SER A 46 5.389 -2.637 -5.999 1.00 0.00 O ATOM 0 H SER A 46 6.373 0.964 -5.281 1.00 0.00 H new ATOM 0 HA SER A 46 4.125 -0.278 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.429 -1.039 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.593 -1.288 -5.029 1.00 0.00 H new ATOM 0 HG SER A 46 6.136 -3.251 -6.160 1.00 0.00 H new ATOM 682 N ILE A 47 2.819 -1.441 -4.606 1.00 0.00 N ATOM 683 CA ILE A 47 2.025 -1.969 -3.503 1.00 0.00 C ATOM 684 C ILE A 47 2.908 -2.948 -2.716 1.00 0.00 C ATOM 685 O ILE A 47 2.875 -2.891 -1.488 1.00 0.00 O ATOM 686 CB ILE A 47 0.689 -2.565 -4.020 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.251 -1.398 -4.417 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.006 -3.464 -2.976 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.527 -1.829 -5.152 1.00 0.00 C ATOM 0 H ILE A 47 2.470 -1.687 -5.532 1.00 0.00 H new ATOM 0 HA ILE A 47 1.717 -1.182 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 47 0.912 -3.197 -4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.533 -0.853 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.301 -0.703 -5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.935 -3.853 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.651 -4.294 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.225 -2.881 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.124 -0.949 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.259 -2.347 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.105 -2.498 -4.515 1.00 0.00 H new ATOM 701 N CYS A 48 3.735 -3.782 -3.370 1.00 0.00 N ATOM 702 CA CYS A 48 4.687 -4.630 -2.650 1.00 0.00 C ATOM 703 C CYS A 48 5.656 -3.759 -1.870 1.00 0.00 C ATOM 704 O CYS A 48 5.818 -3.963 -0.673 1.00 0.00 O ATOM 705 CB CYS A 48 5.535 -5.502 -3.571 1.00 0.00 C ATOM 706 SG CYS A 48 4.784 -7.009 -4.169 1.00 0.00 S ATOM 0 H CYS A 48 3.760 -3.883 -4.385 1.00 0.00 H new ATOM 0 HA CYS A 48 4.086 -5.273 -2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.827 -4.902 -4.433 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.451 -5.765 -3.042 1.00 0.00 H new ATOM 711 N GLY A 49 6.310 -2.811 -2.548 1.00 0.00 N ATOM 712 CA GLY A 49 7.335 -1.977 -1.943 1.00 0.00 C ATOM 713 C GLY A 49 6.815 -1.326 -0.665 1.00 0.00 C ATOM 714 O GLY A 49 7.449 -1.438 0.381 1.00 0.00 O ATOM 0 H GLY A 49 6.138 -2.606 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.215 -2.579 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.647 -1.207 -2.648 1.00 0.00 H new ATOM 718 N ALA A 50 5.650 -0.679 -0.743 1.00 0.00 N ATOM 719 CA ALA A 50 4.995 -0.071 0.402 1.00 0.00 C ATOM 720 C ALA A 50 4.647 -1.119 1.463 1.00 0.00 C ATOM 721 O ALA A 50 5.006 -0.937 2.621 1.00 0.00 O ATOM 722 CB ALA A 50 3.745 0.682 -0.061 1.00 0.00 C ATOM 0 H ALA A 50 5.135 -0.565 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 50 5.683 0.638 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.255 1.137 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.030 1.459 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.059 -0.014 -0.543 1.00 0.00 H new ATOM 728 N ALA A 51 3.943 -2.196 1.099 1.00 0.00 N ATOM 729 CA ALA A 51 3.447 -3.194 2.041 1.00 0.00 C ATOM 730 C ALA A 51 4.577 -3.905 2.787 1.00 0.00 C ATOM 731 O ALA A 51 4.515 -4.027 4.011 1.00 0.00 O ATOM 732 CB ALA A 51 2.536 -4.190 1.313 1.00 0.00 C ATOM 0 H ALA A 51 3.701 -2.398 0.129 1.00 0.00 H new ATOM 0 HA ALA A 51 2.864 -2.676 2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.169 -4.932 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.692 -3.658 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.099 -4.689 0.524 1.00 0.00 H new ATOM 738 N VAL A 52 5.592 -4.390 2.075 1.00 0.00 N ATOM 739 CA VAL A 52 6.747 -5.064 2.650 1.00 0.00 C ATOM 740 C VAL A 52 7.557 -4.066 3.495 1.00 0.00 C ATOM 741 O VAL A 52 7.952 -4.417 4.604 1.00 0.00 O ATOM 742 CB VAL A 52 7.560 -5.767 1.537 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.770 -6.523 2.102 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.718 -6.805 0.768 1.00 0.00 C ATOM 0 H VAL A 52 5.632 -4.322 1.058 1.00 0.00 H new ATOM 0 HA VAL A 52 6.435 -5.856 3.331 1.00 0.00 H new ATOM 0 HB VAL A 52 7.879 -4.964 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.313 -7.002 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.429 -5.823 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.429 -7.282 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.331 -7.272 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.361 -7.568 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.866 -6.310 0.303 1.00 0.00 H new ATOM 754 N HIS A 53 7.760 -2.814 3.054 1.00 0.00 N ATOM 755 CA HIS A 53 8.430 -1.791 3.871 1.00 0.00 C ATOM 756 C HIS A 53 7.667 -1.574 5.178 1.00 0.00 C ATOM 757 O HIS A 53 8.230 -1.649 6.271 1.00 0.00 O ATOM 758 CB HIS A 53 8.545 -0.474 3.089 1.00 0.00 C ATOM 759 CG HIS A 53 9.263 0.626 3.829 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.708 1.513 4.762 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.570 0.946 3.632 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.708 2.358 5.078 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.839 2.031 4.430 1.00 0.00 N ATOM 0 H HIS A 53 7.468 -2.486 2.133 1.00 0.00 H new ATOM 0 HA HIS A 53 9.435 -2.138 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.067 -0.666 2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.544 -0.129 2.832 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.263 0.443 2.974 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.613 3.189 5.762 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.738 2.505 4.516 1.00 0.00 H new ATOM 771 N ARG A 54 6.360 -1.338 5.070 1.00 0.00 N ATOM 772 CA ARG A 54 5.411 -1.177 6.168 1.00 0.00 C ATOM 773 C ARG A 54 5.372 -2.399 7.091 1.00 0.00 C ATOM 774 O ARG A 54 4.935 -2.264 8.237 1.00 0.00 O ATOM 775 CB ARG A 54 4.047 -0.853 5.538 1.00 0.00 C ATOM 776 CG ARG A 54 2.869 -0.699 6.497 1.00 0.00 C ATOM 777 CD ARG A 54 3.037 0.436 7.510 1.00 0.00 C ATOM 778 NE ARG A 54 1.923 0.467 8.471 1.00 0.00 N ATOM 779 CZ ARG A 54 1.730 -0.406 9.469 1.00 0.00 C ATOM 780 NH1 ARG A 54 2.546 -1.440 9.636 1.00 0.00 N ATOM 781 NH2 ARG A 54 0.715 -0.248 10.305 1.00 0.00 N ATOM 0 H ARG A 54 5.910 -1.249 4.159 1.00 0.00 H new ATOM 0 HA ARG A 54 5.719 -0.361 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.146 0.071 4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.805 -1.642 4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.962 -0.524 5.918 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.727 -1.636 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.978 0.311 8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.093 1.389 6.985 1.00 0.00 H new ATOM 0 HE ARG A 54 1.239 1.217 8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.332 -1.578 9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.387 -2.097 10.400 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.078 0.540 10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.571 -0.914 11.064 1.00 0.00 H new ATOM 795 N GLY A 55 5.763 -3.576 6.602 1.00 0.00 N ATOM 796 CA GLY A 55 5.792 -4.819 7.354 1.00 0.00 C ATOM 797 C GLY A 55 4.462 -5.565 7.315 1.00 0.00 C ATOM 798 O GLY A 55 4.303 -6.529 8.060 1.00 0.00 O ATOM 0 H GLY A 55 6.078 -3.688 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.576 -5.462 6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.053 -4.605 8.390 1.00 0.00 H new ATOM 802 N VAL A 56 3.516 -5.156 6.464 1.00 0.00 N ATOM 803 CA VAL A 56 2.193 -5.769 6.338 1.00 0.00 C ATOM 804 C VAL A 56 2.333 -7.265 6.065 1.00 0.00 C ATOM 805 O VAL A 56 1.687 -8.077 6.720 1.00 0.00 O ATOM 806 CB VAL A 56 1.412 -5.084 5.198 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.012 -5.660 4.996 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.250 -3.583 5.452 1.00 0.00 C ATOM 0 H VAL A 56 3.654 -4.370 5.829 1.00 0.00 H new ATOM 0 HA VAL A 56 1.644 -5.638 7.271 1.00 0.00 H new ATOM 0 HB VAL A 56 2.009 -5.268 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.483 -5.134 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.086 -6.720 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.567 -5.537 5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.695 -3.133 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.706 -3.428 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.233 -3.118 5.524 1.00 0.00 H new ATOM 818 N ILE A 57 3.184 -7.622 5.109 1.00 0.00 N ATOM 819 CA ILE A 57 3.367 -8.982 4.643 1.00 0.00 C ATOM 820 C ILE A 57 4.854 -9.310 4.661 1.00 0.00 C ATOM 821 O ILE A 57 5.713 -8.418 4.727 1.00 0.00 O ATOM 822 CB ILE A 57 2.757 -9.155 3.225 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.255 -8.080 2.230 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.220 -9.149 3.288 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.926 -8.389 0.765 1.00 0.00 C ATOM 0 H ILE A 57 3.780 -6.950 4.626 1.00 0.00 H new ATOM 0 HA ILE A 57 2.847 -9.677 5.302 1.00 0.00 H new ATOM 0 HB ILE A 57 3.097 -10.122 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.813 -7.120 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.335 -7.974 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.814 -9.271 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.879 -9.969 3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.877 -8.202 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.308 -7.589 0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.391 -9.333 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.846 -8.465 0.643 1.00 0.00 H new ATOM 837 N SER A 58 5.144 -10.603 4.604 1.00 0.00 N ATOM 838 CA SER A 58 6.486 -11.133 4.468 1.00 0.00 C ATOM 839 C SER A 58 6.889 -10.871 3.007 1.00 0.00 C ATOM 840 O SER A 58 6.018 -10.508 2.200 1.00 0.00 O ATOM 841 CB SER A 58 6.412 -12.635 4.776 1.00 0.00 C ATOM 842 OG SER A 58 5.738 -12.862 6.004 1.00 0.00 O ATOM 0 H SER A 58 4.429 -11.329 4.653 1.00 0.00 H new ATOM 0 HA SER A 58 7.215 -10.680 5.139 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.892 -13.152 3.969 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.418 -13.051 4.825 1.00 0.00 H new ATOM 0 HG SER A 58 5.699 -13.825 6.183 1.00 0.00 H new ATOM 848 N ASN A 59 8.157 -11.053 2.607 1.00 0.00 N ATOM 849 CA ASN A 59 8.449 -10.922 1.174 1.00 0.00 C ATOM 850 C ASN A 59 8.061 -12.268 0.537 1.00 0.00 C ATOM 851 O ASN A 59 8.904 -13.086 0.178 1.00 0.00 O ATOM 852 CB ASN A 59 9.935 -10.569 0.977 1.00 0.00 C ATOM 853 CG ASN A 59 10.249 -10.303 -0.490 1.00 0.00 C ATOM 854 OD1 ASN A 59 10.987 -11.043 -1.131 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.696 -9.240 -1.047 1.00 0.00 N ATOM 0 H ASN A 59 8.949 -11.277 3.210 1.00 0.00 H new ATOM 0 HA ASN A 59 7.887 -10.118 0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.184 -9.689 1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.557 -11.386 1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.880 -9.023 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.085 -8.636 -0.497 1.00 0.00 H new ATOM 862 N SER A 60 6.752 -12.491 0.447 1.00 0.00 N ATOM 863 CA SER A 60 6.077 -13.704 0.010 1.00 0.00 C ATOM 864 C SER A 60 4.746 -13.414 -0.714 1.00 0.00 C ATOM 865 O SER A 60 4.123 -14.326 -1.267 1.00 0.00 O ATOM 866 CB SER A 60 5.881 -14.543 1.275 1.00 0.00 C ATOM 867 OG SER A 60 5.683 -15.914 1.019 1.00 0.00 O ATOM 0 H SER A 60 6.083 -11.764 0.700 1.00 0.00 H new ATOM 0 HA SER A 60 6.671 -14.238 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.753 -14.425 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.024 -14.158 1.827 1.00 0.00 H new ATOM 0 HG SER A 60 5.566 -16.392 1.867 1.00 0.00 H new ATOM 873 N GLY A 61 4.243 -12.177 -0.612 1.00 0.00 N ATOM 874 CA GLY A 61 2.932 -11.779 -1.112 1.00 0.00 C ATOM 875 C GLY A 61 1.896 -11.956 0.008 1.00 0.00 C ATOM 876 O GLY A 61 2.214 -12.435 1.109 1.00 0.00 O ATOM 0 H GLY A 61 4.752 -11.412 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.955 -10.741 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.659 -12.384 -1.977 1.00 0.00 H new ATOM 880 N GLY A 62 0.645 -11.573 -0.246 1.00 0.00 N ATOM 881 CA GLY A 62 -0.469 -11.778 0.671 1.00 0.00 C ATOM 882 C GLY A 62 -1.571 -10.729 0.554 1.00 0.00 C ATOM 883 O GLY A 62 -1.517 -9.873 -0.335 1.00 0.00 O ATOM 0 H GLY A 62 0.376 -11.104 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.899 -12.763 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.090 -11.779 1.693 1.00 0.00 H new ATOM 887 N PRO A 63 -2.598 -10.809 1.418 1.00 0.00 N ATOM 888 CA PRO A 63 -3.646 -9.803 1.506 1.00 0.00 C ATOM 889 C PRO A 63 -3.092 -8.528 2.139 1.00 0.00 C ATOM 890 O PRO A 63 -2.207 -8.568 2.995 1.00 0.00 O ATOM 891 CB PRO A 63 -4.741 -10.428 2.373 1.00 0.00 C ATOM 892 CG PRO A 63 -3.963 -11.377 3.285 1.00 0.00 C ATOM 893 CD PRO A 63 -2.839 -11.877 2.380 1.00 0.00 C ATOM 0 HA PRO A 63 -4.036 -9.521 0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.282 -9.674 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.477 -10.961 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.575 -10.864 4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.588 -12.195 3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.940 -12.094 2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.125 -12.800 1.876 1.00 0.00 H new ATOM 901 N VAL A 64 -3.634 -7.390 1.721 1.00 0.00 N ATOM 902 CA VAL A 64 -3.213 -6.054 2.103 1.00 0.00 C ATOM 903 C VAL A 64 -4.486 -5.186 2.156 1.00 0.00 C ATOM 904 O VAL A 64 -5.509 -5.507 1.543 1.00 0.00 O ATOM 905 CB VAL A 64 -2.170 -5.565 1.063 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.587 -4.204 1.380 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.977 -6.515 0.838 1.00 0.00 C ATOM 0 H VAL A 64 -4.421 -7.378 1.072 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.731 -6.008 3.080 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.772 -5.525 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.866 -3.929 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.387 -3.464 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.088 -4.239 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.305 -6.086 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.440 -6.653 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.341 -7.479 0.483 1.00 0.00 H new ATOM 917 N ARG A 65 -4.443 -4.073 2.884 1.00 0.00 N ATOM 918 CA ARG A 65 -5.527 -3.112 3.062 1.00 0.00 C ATOM 919 C ARG A 65 -4.919 -1.715 3.064 1.00 0.00 C ATOM 920 O ARG A 65 -4.259 -1.316 4.027 1.00 0.00 O ATOM 921 CB ARG A 65 -6.295 -3.433 4.354 1.00 0.00 C ATOM 922 CG ARG A 65 -7.439 -2.439 4.608 1.00 0.00 C ATOM 923 CD ARG A 65 -8.371 -2.879 5.746 1.00 0.00 C ATOM 924 NE ARG A 65 -7.661 -3.178 6.998 1.00 0.00 N ATOM 925 CZ ARG A 65 -8.178 -3.277 8.228 1.00 0.00 C ATOM 926 NH1 ARG A 65 -9.430 -2.926 8.503 1.00 0.00 N ATOM 927 NH2 ARG A 65 -7.404 -3.741 9.197 1.00 0.00 N ATOM 0 H ARG A 65 -3.602 -3.803 3.394 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.251 -3.168 2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.700 -4.443 4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.606 -3.416 5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.018 -1.462 4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.021 -2.321 3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.103 -2.093 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.925 -3.763 5.431 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.655 -3.328 6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.033 -2.566 7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.788 -3.016 9.454 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.441 -4.012 8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.770 -3.828 10.145 1.00 0.00 H new ATOM 941 N VAL A 66 -5.082 -1.008 1.956 1.00 0.00 N ATOM 942 CA VAL A 66 -4.608 0.346 1.718 1.00 0.00 C ATOM 943 C VAL A 66 -5.641 1.341 2.257 1.00 0.00 C ATOM 944 O VAL A 66 -6.845 1.098 2.169 1.00 0.00 O ATOM 945 CB VAL A 66 -4.425 0.526 0.191 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.941 1.934 -0.177 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.426 -0.484 -0.406 1.00 0.00 C ATOM 0 H VAL A 66 -5.579 -1.388 1.150 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.659 0.524 2.224 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.416 0.354 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.828 2.009 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.669 2.670 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.981 2.125 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.334 -0.314 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.452 -0.355 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.784 -1.498 -0.228 1.00 0.00 H new ATOM 957 N TYR A 67 -5.170 2.485 2.751 1.00 0.00 N ATOM 958 CA TYR A 67 -5.949 3.631 3.194 1.00 0.00 C ATOM 959 C TYR A 67 -5.300 4.830 2.513 1.00 0.00 C ATOM 960 O TYR A 67 -4.109 5.078 2.724 1.00 0.00 O ATOM 961 CB TYR A 67 -5.902 3.776 4.719 1.00 0.00 C ATOM 962 CG TYR A 67 -6.789 2.804 5.467 1.00 0.00 C ATOM 963 CD1 TYR A 67 -6.318 1.521 5.807 1.00 0.00 C ATOM 964 CD2 TYR A 67 -8.084 3.199 5.850 1.00 0.00 C ATOM 965 CE1 TYR A 67 -7.133 0.643 6.543 1.00 0.00 C ATOM 966 CE2 TYR A 67 -8.898 2.324 6.586 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.425 1.045 6.943 1.00 0.00 C ATOM 968 OH TYR A 67 -9.214 0.213 7.675 1.00 0.00 O ATOM 0 H TYR A 67 -4.168 2.642 2.858 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.003 3.532 2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.873 3.641 5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.193 4.792 4.984 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.329 1.211 5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.452 4.177 5.577 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.770 -0.340 6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.891 2.632 6.880 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.804 0.744 8.250 1.00 0.00 H new ATOM 978 N SER A 68 -6.030 5.537 1.647 1.00 0.00 N ATOM 979 CA SER A 68 -5.482 6.734 1.023 1.00 0.00 C ATOM 980 C SER A 68 -5.186 7.781 2.096 1.00 0.00 C ATOM 981 O SER A 68 -5.791 7.805 3.174 1.00 0.00 O ATOM 982 CB SER A 68 -6.396 7.276 -0.079 1.00 0.00 C ATOM 983 OG SER A 68 -7.681 7.609 0.404 1.00 0.00 O ATOM 0 H SER A 68 -6.983 5.304 1.369 1.00 0.00 H new ATOM 0 HA SER A 68 -4.546 6.473 0.530 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.938 8.159 -0.526 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.489 6.531 -0.869 1.00 0.00 H new ATOM 0 HG SER A 68 -8.052 6.848 0.898 1.00 0.00 H new ATOM 989 N LEU A 69 -4.220 8.640 1.801 1.00 0.00 N ATOM 990 CA LEU A 69 -3.724 9.685 2.673 1.00 0.00 C ATOM 991 C LEU A 69 -3.590 10.919 1.769 1.00 0.00 C ATOM 992 O LEU A 69 -3.222 10.759 0.599 1.00 0.00 O ATOM 993 CB LEU A 69 -2.426 9.148 3.309 1.00 0.00 C ATOM 994 CG LEU A 69 -1.930 9.852 4.580 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.068 8.865 5.373 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.130 11.130 4.273 1.00 0.00 C ATOM 0 H LEU A 69 -3.740 8.622 0.901 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.357 9.972 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.574 8.093 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.635 9.202 2.561 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.798 10.163 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.705 9.347 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.665 7.992 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.219 8.552 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.803 11.588 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.259 10.878 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.760 11.831 3.726 1.00 0.00 H new ATOM 1008 N PRO A 70 -3.945 12.129 2.225 1.00 0.00 N ATOM 1009 CA PRO A 70 -3.967 13.324 1.388 1.00 0.00 C ATOM 1010 C PRO A 70 -2.612 13.651 0.745 1.00 0.00 C ATOM 1011 O PRO A 70 -1.574 13.040 1.030 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.489 14.454 2.289 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.242 13.941 3.704 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.445 12.441 3.549 1.00 0.00 C ATOM 0 HA PRO A 70 -4.616 13.173 0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.959 15.388 2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.547 14.648 2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.238 14.181 4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.940 14.373 4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.903 11.888 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.497 12.173 3.647 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.640 14.622 -0.167 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.456 15.169 -0.792 1.00 0.00 C ATOM 1024 C GLY A 71 -0.532 15.658 0.312 1.00 0.00 C ATOM 1025 O GLY A 71 -0.930 16.507 1.116 1.00 0.00 O ATOM 0 H GLY A 71 -3.506 15.052 -0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.959 14.411 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.721 15.989 -1.460 1.00 0.00 H new ATOM 1029 N ARG A 72 0.686 15.130 0.366 1.00 0.00 N ATOM 1030 CA ARG A 72 1.656 15.413 1.412 1.00 0.00 C ATOM 1031 C ARG A 72 2.944 15.935 0.828 1.00 0.00 C ATOM 1032 O ARG A 72 3.192 15.886 -0.374 1.00 0.00 O ATOM 1033 CB ARG A 72 1.842 14.230 2.384 1.00 0.00 C ATOM 1034 CG ARG A 72 0.766 14.167 3.472 1.00 0.00 C ATOM 1035 CD ARG A 72 1.353 13.435 4.689 1.00 0.00 C ATOM 1036 NE ARG A 72 0.672 13.797 5.935 1.00 0.00 N ATOM 1037 CZ ARG A 72 1.216 14.317 7.042 1.00 0.00 C ATOM 1038 NH1 ARG A 72 2.521 14.567 7.145 1.00 0.00 N ATOM 1039 NH2 ARG A 72 0.402 14.575 8.055 1.00 0.00 N ATOM 0 H ARG A 72 1.033 14.476 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 72 1.255 16.214 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.832 13.298 1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.822 14.306 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.448 15.172 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.116 13.644 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.277 12.359 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.414 13.670 4.775 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.334 13.634 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.143 14.361 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.898 14.964 8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.595 14.377 7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.772 14.972 8.919 1.00 0.00 H new ATOM 1053 N GLU A 73 3.745 16.488 1.720 1.00 0.00 N ATOM 1054 CA GLU A 73 4.978 17.196 1.490 1.00 0.00 C ATOM 1055 C GLU A 73 5.903 16.924 2.680 1.00 0.00 C ATOM 1056 O GLU A 73 5.525 16.189 3.598 1.00 0.00 O ATOM 1057 CB GLU A 73 4.630 18.692 1.320 1.00 0.00 C ATOM 1058 CG GLU A 73 4.006 19.400 2.547 1.00 0.00 C ATOM 1059 CD GLU A 73 2.678 18.791 3.026 1.00 0.00 C ATOM 1060 OE1 GLU A 73 1.636 18.928 2.348 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.687 18.074 4.054 1.00 0.00 O ATOM 0 H GLU A 73 3.522 16.445 2.714 1.00 0.00 H new ATOM 0 HA GLU A 73 5.498 16.870 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.540 19.225 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.939 18.788 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.721 19.373 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.842 20.449 2.301 1.00 0.00 H new ATOM 1068 N ASN A 74 7.110 17.502 2.654 1.00 0.00 N ATOM 1069 CA ASN A 74 8.100 17.487 3.738 1.00 0.00 C ATOM 1070 C ASN A 74 8.222 16.094 4.365 1.00 0.00 C ATOM 1071 O ASN A 74 7.973 15.908 5.558 1.00 0.00 O ATOM 1072 CB ASN A 74 7.799 18.593 4.767 1.00 0.00 C ATOM 1073 CG ASN A 74 7.704 19.987 4.155 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.308 20.278 3.124 1.00 0.00 O ATOM 1075 ND2 ASN A 74 6.905 20.865 4.734 1.00 0.00 N ATOM 0 H ASN A 74 7.439 18.018 1.838 1.00 0.00 H new ATOM 0 HA ASN A 74 9.080 17.711 3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.861 18.362 5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.579 18.592 5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.785 21.792 4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.408 20.616 5.589 1.00 0.00 H new ATOM 1082 N TYR A 75 8.493 15.109 3.511 1.00 0.00 N ATOM 1083 CA TYR A 75 8.635 13.708 3.873 1.00 0.00 C ATOM 1084 C TYR A 75 10.027 13.471 4.483 1.00 0.00 C ATOM 1085 O TYR A 75 10.873 14.365 4.507 1.00 0.00 O ATOM 1086 CB TYR A 75 8.450 12.848 2.611 1.00 0.00 C ATOM 1087 CG TYR A 75 7.105 12.864 1.911 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.741 13.950 1.092 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.300 11.710 1.921 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.571 13.894 0.318 1.00 0.00 C ATOM 1091 CE2 TYR A 75 5.147 11.642 1.125 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.743 12.752 0.355 1.00 0.00 C ATOM 1093 OH TYR A 75 3.614 12.712 -0.404 1.00 0.00 O ATOM 0 H TYR A 75 8.624 15.275 2.513 1.00 0.00 H new ATOM 0 HA TYR A 75 7.881 13.433 4.611 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.204 13.157 1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.671 11.815 2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.365 14.831 1.059 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.571 10.872 2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.303 14.731 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.564 10.733 1.102 1.00 0.00 H new ATOM 0 HH TYR A 75 2.898 12.268 0.097 1.00 0.00 H new ATOM 1103 N SER A 76 10.285 12.228 4.881 1.00 0.00 N ATOM 1104 CA SER A 76 11.523 11.712 5.451 1.00 0.00 C ATOM 1105 C SER A 76 11.904 10.437 4.679 1.00 0.00 C ATOM 1106 O SER A 76 11.080 9.925 3.908 1.00 0.00 O ATOM 1107 CB SER A 76 11.312 11.417 6.947 1.00 0.00 C ATOM 1108 OG SER A 76 10.539 12.417 7.592 1.00 0.00 O ATOM 0 H SER A 76 9.576 11.499 4.807 1.00 0.00 H new ATOM 0 HA SER A 76 12.330 12.440 5.365 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.818 10.452 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.281 11.337 7.439 1.00 0.00 H new ATOM 0 HG SER A 76 10.430 12.187 8.538 1.00 0.00 H new ATOM 1114 N SER A 77 13.106 9.899 4.903 1.00 0.00 N ATOM 1115 CA SER A 77 13.617 8.716 4.214 1.00 0.00 C ATOM 1116 C SER A 77 13.983 7.649 5.250 1.00 0.00 C ATOM 1117 O SER A 77 14.618 7.993 6.248 1.00 0.00 O ATOM 1118 CB SER A 77 14.848 9.093 3.377 1.00 0.00 C ATOM 1119 OG SER A 77 14.614 10.226 2.545 1.00 0.00 O ATOM 0 H SER A 77 13.763 10.283 5.583 1.00 0.00 H new ATOM 0 HA SER A 77 12.852 8.319 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.686 9.301 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.136 8.244 2.757 1.00 0.00 H new ATOM 0 HG SER A 77 15.425 10.429 2.033 1.00 0.00 H new ATOM 1125 N VAL A 78 13.571 6.389 5.058 1.00 0.00 N ATOM 1126 CA VAL A 78 13.806 5.287 5.997 1.00 0.00 C ATOM 1127 C VAL A 78 13.836 3.975 5.192 1.00 0.00 C ATOM 1128 O VAL A 78 13.189 3.890 4.143 1.00 0.00 O ATOM 1129 CB VAL A 78 12.696 5.235 7.084 1.00 0.00 C ATOM 1130 CG1 VAL A 78 13.184 4.456 8.317 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.187 6.590 7.612 1.00 0.00 C ATOM 0 H VAL A 78 13.054 6.102 4.227 1.00 0.00 H new ATOM 0 HA VAL A 78 14.755 5.436 6.512 1.00 0.00 H new ATOM 0 HB VAL A 78 11.869 4.756 6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.394 4.430 9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.441 3.438 8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.063 4.947 8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.416 6.421 8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.015 7.141 8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.769 7.168 6.788 1.00 0.00 H new ATOM 1141 N ASP A 79 14.493 2.924 5.689 1.00 0.00 N ATOM 1142 CA ASP A 79 14.603 1.621 5.019 1.00 0.00 C ATOM 1143 C ASP A 79 13.939 0.542 5.872 1.00 0.00 C ATOM 1144 O ASP A 79 13.873 0.690 7.098 1.00 0.00 O ATOM 1145 CB ASP A 79 16.066 1.215 4.802 1.00 0.00 C ATOM 1146 CG ASP A 79 16.167 0.179 3.674 1.00 0.00 C ATOM 1147 OD1 ASP A 79 15.785 -0.998 3.885 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.578 0.619 2.575 1.00 0.00 O ATOM 0 H ASP A 79 14.975 2.953 6.588 1.00 0.00 H new ATOM 0 HA ASP A 79 14.110 1.715 4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.662 2.093 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.477 0.802 5.723 1.00 0.00 H new ATOM 1153 N ALA A 80 13.336 -0.469 5.253 1.00 0.00 N ATOM 1154 CA ALA A 80 12.783 -1.641 5.915 1.00 0.00 C ATOM 1155 C ALA A 80 12.766 -2.771 4.893 1.00 0.00 C ATOM 1156 O ALA A 80 12.314 -2.564 3.770 1.00 0.00 O ATOM 1157 CB ALA A 80 11.372 -1.398 6.455 1.00 0.00 C ATOM 0 H ALA A 80 13.216 -0.493 4.240 1.00 0.00 H new ATOM 0 HA ALA A 80 13.401 -1.890 6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.007 -2.304 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.395 -0.584 7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.708 -1.133 5.632 1.00 0.00 H new ATOM 1163 N ASN A 81 13.186 -3.970 5.305 1.00 0.00 N ATOM 1164 CA ASN A 81 13.282 -5.177 4.475 1.00 0.00 C ATOM 1165 C ASN A 81 14.193 -5.003 3.243 1.00 0.00 C ATOM 1166 O ASN A 81 14.073 -5.778 2.297 1.00 0.00 O ATOM 1167 CB ASN A 81 11.873 -5.703 4.100 1.00 0.00 C ATOM 1168 CG ASN A 81 11.187 -6.472 5.219 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.746 -7.412 5.774 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.949 -6.149 5.554 1.00 0.00 N ATOM 0 H ASN A 81 13.481 -4.135 6.267 1.00 0.00 H new ATOM 0 HA ASN A 81 13.772 -5.938 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.245 -4.860 3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.957 -6.349 3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.460 -6.682 6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.483 -5.367 5.093 1.00 0.00 H new ATOM 1177 N GLY A 82 15.148 -4.062 3.257 1.00 0.00 N ATOM 1178 CA GLY A 82 16.024 -3.827 2.111 1.00 0.00 C ATOM 1179 C GLY A 82 15.255 -3.124 0.997 1.00 0.00 C ATOM 1180 O GLY A 82 15.366 -3.482 -0.174 1.00 0.00 O ATOM 0 H GLY A 82 15.330 -3.452 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.877 -3.219 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.421 -4.775 1.747 1.00 0.00 H new ATOM 1184 N ILE A 83 14.435 -2.148 1.376 1.00 0.00 N ATOM 1185 CA ILE A 83 13.574 -1.370 0.509 1.00 0.00 C ATOM 1186 C ILE A 83 13.735 0.040 1.059 1.00 0.00 C ATOM 1187 O ILE A 83 13.442 0.283 2.232 1.00 0.00 O ATOM 1188 CB ILE A 83 12.106 -1.855 0.575 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.984 -3.378 0.347 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.306 -1.059 -0.466 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.554 -3.922 0.406 1.00 0.00 C ATOM 0 H ILE A 83 14.354 -1.868 2.353 1.00 0.00 H new ATOM 0 HA ILE A 83 13.836 -1.450 -0.546 1.00 0.00 H new ATOM 0 HB ILE A 83 11.705 -1.678 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.411 -3.621 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.585 -3.893 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.264 -1.378 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.365 0.005 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.720 -1.238 -1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.567 -4.998 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.126 -3.716 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.949 -3.440 -0.362 1.00 0.00 H new ATOM 1203 N GLN A 84 14.100 0.988 0.204 1.00 0.00 N ATOM 1204 CA GLN A 84 14.416 2.336 0.633 1.00 0.00 C ATOM 1205 C GLN A 84 13.231 3.222 0.290 1.00 0.00 C ATOM 1206 O GLN A 84 12.772 3.236 -0.857 1.00 0.00 O ATOM 1207 CB GLN A 84 15.693 2.783 -0.099 1.00 0.00 C ATOM 1208 CG GLN A 84 16.156 4.211 0.237 1.00 0.00 C ATOM 1209 CD GLN A 84 16.473 4.463 1.712 1.00 0.00 C ATOM 1210 OE1 GLN A 84 16.339 5.581 2.195 1.00 0.00 O ATOM 1211 NE2 GLN A 84 16.905 3.467 2.467 1.00 0.00 N ATOM 0 H GLN A 84 14.184 0.840 -0.802 1.00 0.00 H new ATOM 0 HA GLN A 84 14.597 2.396 1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.497 2.088 0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.524 2.713 -1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.045 4.436 -0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.381 4.910 -0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.017 2.535 2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.126 3.630 3.449 1.00 0.00 H new ATOM 1220 N SER A 85 12.721 3.935 1.298 1.00 0.00 N ATOM 1221 CA SER A 85 11.680 4.923 1.120 1.00 0.00 C ATOM 1222 C SER A 85 12.370 6.274 1.218 1.00 0.00 C ATOM 1223 O SER A 85 13.113 6.489 2.173 1.00 0.00 O ATOM 1224 CB SER A 85 10.531 4.723 2.114 1.00 0.00 C ATOM 1225 OG SER A 85 10.879 4.997 3.453 1.00 0.00 O ATOM 0 H SER A 85 13.029 3.834 2.265 1.00 0.00 H new ATOM 0 HA SER A 85 11.189 4.836 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.699 5.366 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.178 3.694 2.044 1.00 0.00 H new ATOM 0 HG SER A 85 11.559 4.358 3.752 1.00 0.00 H new ATOM 1231 N GLN A 86 12.172 7.156 0.241 1.00 0.00 N ATOM 1232 CA GLN A 86 12.862 8.441 0.161 1.00 0.00 C ATOM 1233 C GLN A 86 11.853 9.589 0.221 1.00 0.00 C ATOM 1234 O GLN A 86 10.729 9.434 -0.255 1.00 0.00 O ATOM 1235 CB GLN A 86 13.724 8.461 -1.113 1.00 0.00 C ATOM 1236 CG GLN A 86 12.906 8.460 -2.417 1.00 0.00 C ATOM 1237 CD GLN A 86 13.567 7.633 -3.516 1.00 0.00 C ATOM 1238 OE1 GLN A 86 14.427 8.111 -4.243 1.00 0.00 O ATOM 1239 NE2 GLN A 86 13.170 6.379 -3.671 1.00 0.00 N ATOM 0 H GLN A 86 11.520 6.996 -0.527 1.00 0.00 H new ATOM 0 HA GLN A 86 13.527 8.576 1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.361 9.345 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.383 7.593 -1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.910 8.065 -2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.779 9.485 -2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.452 5.992 -3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.582 5.800 -4.403 1.00 0.00 H new ATOM 1248 N MET A 87 12.225 10.731 0.799 1.00 0.00 N ATOM 1249 CA MET A 87 11.384 11.923 0.808 1.00 0.00 C ATOM 1250 C MET A 87 10.974 12.370 -0.610 1.00 0.00 C ATOM 1251 O MET A 87 11.595 11.978 -1.599 1.00 0.00 O ATOM 1252 CB MET A 87 12.081 13.038 1.613 1.00 0.00 C ATOM 1253 CG MET A 87 13.319 13.640 0.937 1.00 0.00 C ATOM 1254 SD MET A 87 12.965 14.940 -0.282 1.00 0.00 S ATOM 1255 CE MET A 87 14.641 15.233 -0.904 1.00 0.00 C ATOM 0 H MET A 87 13.119 10.854 1.274 1.00 0.00 H new ATOM 0 HA MET A 87 10.444 11.682 1.305 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.362 13.836 1.800 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.373 12.638 2.584 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.972 14.051 1.707 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.872 12.840 0.444 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.615 16.009 -1.669 1.00 0.00 H new ATOM 0 HE2 MET A 87 15.283 15.553 -0.083 1.00 0.00 H new ATOM 0 HE3 MET A 87 15.035 14.313 -1.335 1.00 0.00 H new ATOM 1265 N LEU A 88 9.942 13.221 -0.712 1.00 0.00 N ATOM 1266 CA LEU A 88 9.475 13.805 -1.968 1.00 0.00 C ATOM 1267 C LEU A 88 9.144 15.275 -1.772 1.00 0.00 C ATOM 1268 O LEU A 88 8.908 15.741 -0.653 1.00 0.00 O ATOM 1269 CB LEU A 88 8.193 13.167 -2.516 1.00 0.00 C ATOM 1270 CG LEU A 88 8.166 11.635 -2.541 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.465 11.114 -1.295 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.366 11.198 -3.760 1.00 0.00 C ATOM 0 H LEU A 88 9.400 13.526 0.097 1.00 0.00 H new ATOM 0 HA LEU A 88 10.292 13.636 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.352 13.516 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.034 13.531 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 88 9.184 11.246 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.448 10.024 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.001 11.451 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.443 11.493 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.331 10.109 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.352 11.591 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.841 11.580 -4.663 1.00 0.00 H new ATOM 1284 N SER A 89 8.964 15.962 -2.893 1.00 0.00 N ATOM 1285 CA SER A 89 8.539 17.337 -2.968 1.00 0.00 C ATOM 1286 C SER A 89 7.048 17.456 -3.316 1.00 0.00 C ATOM 1287 O SER A 89 6.708 17.533 -4.500 1.00 0.00 O ATOM 1288 CB SER A 89 9.445 18.039 -3.993 1.00 0.00 C ATOM 1289 OG SER A 89 9.534 17.282 -5.190 1.00 0.00 O ATOM 0 H SER A 89 9.120 15.548 -3.812 1.00 0.00 H new ATOM 0 HA SER A 89 8.639 17.822 -1.997 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.051 19.031 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.440 18.178 -3.570 1.00 0.00 H new ATOM 0 HG SER A 89 8.634 17.031 -5.486 1.00 0.00 H new ATOM 1295 N ARG A 90 6.152 17.411 -2.316 1.00 0.00 N ATOM 1296 CA ARG A 90 4.719 17.673 -2.545 1.00 0.00 C ATOM 1297 C ARG A 90 3.984 16.675 -3.460 1.00 0.00 C ATOM 1298 O ARG A 90 3.631 17.043 -4.581 1.00 0.00 O ATOM 1299 CB ARG A 90 4.503 19.164 -2.880 1.00 0.00 C ATOM 1300 CG ARG A 90 3.032 19.642 -2.830 1.00 0.00 C ATOM 1301 CD ARG A 90 2.606 20.394 -4.104 1.00 0.00 C ATOM 1302 NE ARG A 90 2.756 19.515 -5.269 1.00 0.00 N ATOM 1303 CZ ARG A 90 1.923 19.274 -6.278 1.00 0.00 C ATOM 1304 NH1 ARG A 90 0.871 20.053 -6.495 1.00 0.00 N ATOM 1305 NH2 ARG A 90 2.170 18.220 -7.048 1.00 0.00 N ATOM 0 H ARG A 90 6.391 17.197 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 90 4.209 17.471 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.088 19.765 -2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.898 19.357 -3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.379 18.781 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.895 20.293 -1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.571 20.723 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.215 21.289 -4.231 1.00 0.00 H new ATOM 0 HE ARG A 90 3.640 19.008 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.692 20.850 -5.884 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.242 19.855 -7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.977 17.626 -6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.553 18.004 -7.831 1.00 0.00 H new ATOM 1319 N TRP A 91 3.886 15.394 -3.104 1.00 0.00 N ATOM 1320 CA TRP A 91 3.124 14.452 -3.927 1.00 0.00 C ATOM 1321 C TRP A 91 1.637 14.548 -3.575 1.00 0.00 C ATOM 1322 O TRP A 91 1.230 14.272 -2.445 1.00 0.00 O ATOM 1323 CB TRP A 91 3.605 13.010 -3.733 1.00 0.00 C ATOM 1324 CG TRP A 91 3.500 12.176 -4.971 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.419 11.494 -5.411 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.523 11.980 -5.979 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.712 10.882 -6.615 1.00 0.00 N ATOM 1328 CE2 TRP A 91 4.017 11.119 -6.993 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.830 12.472 -6.135 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.800 10.732 -8.088 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.652 12.027 -7.178 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.135 11.165 -8.162 1.00 0.00 C ATOM 0 H TRP A 91 4.314 14.990 -2.271 1.00 0.00 H new ATOM 0 HA TRP A 91 3.280 14.720 -4.972 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.643 13.023 -3.400 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.021 12.544 -2.939 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.470 11.436 -4.899 1.00 0.00 H new ATOM 0 HE1 TRP A 91 2.048 10.326 -7.155 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.207 13.206 -5.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.383 10.109 -8.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.683 12.346 -7.227 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.765 10.836 -8.975 1.00 0.00 H new ATOM 1343 N SER A 92 0.800 14.909 -4.547 1.00 0.00 N ATOM 1344 CA SER A 92 -0.638 15.106 -4.373 1.00 0.00 C ATOM 1345 C SER A 92 -1.427 13.783 -4.378 1.00 0.00 C ATOM 1346 O SER A 92 -2.558 13.738 -4.872 1.00 0.00 O ATOM 1347 CB SER A 92 -1.124 16.025 -5.502 1.00 0.00 C ATOM 1348 OG SER A 92 -0.393 17.233 -5.502 1.00 0.00 O ATOM 0 H SER A 92 1.112 15.077 -5.503 1.00 0.00 H new ATOM 0 HA SER A 92 -0.814 15.556 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.009 15.523 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.186 16.235 -5.377 1.00 0.00 H new ATOM 0 HG SER A 92 -0.712 17.809 -6.228 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.854 12.688 -3.870 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.508 11.399 -3.692 1.00 0.00 C ATOM 1356 C ALA A 93 -0.614 10.554 -2.787 1.00 0.00 C ATOM 1357 O ALA A 93 0.462 10.136 -3.223 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.736 10.698 -5.041 1.00 0.00 C ATOM 0 H ALA A 93 0.118 12.681 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.491 11.537 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.226 9.739 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.367 11.322 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.777 10.535 -5.533 1.00 0.00 H new ATOM 1364 N SER A 94 -1.036 10.292 -1.556 1.00 0.00 N ATOM 1365 CA SER A 94 -0.303 9.433 -0.634 1.00 0.00 C ATOM 1366 C SER A 94 -1.217 8.311 -0.134 1.00 0.00 C ATOM 1367 O SER A 94 -2.413 8.286 -0.447 1.00 0.00 O ATOM 1368 CB SER A 94 0.232 10.272 0.534 1.00 0.00 C ATOM 1369 OG SER A 94 0.766 11.523 0.134 1.00 0.00 O ATOM 0 H SER A 94 -1.900 10.671 -1.168 1.00 0.00 H new ATOM 0 HA SER A 94 0.544 8.978 -1.148 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.574 10.442 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.005 9.706 1.054 1.00 0.00 H new ATOM 0 HG SER A 94 0.131 12.236 0.356 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.675 7.362 0.624 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.435 6.313 1.282 1.00 0.00 C ATOM 1377 C PHE A 95 -0.621 5.728 2.425 1.00 0.00 C ATOM 1378 O PHE A 95 0.574 5.983 2.520 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.845 5.216 0.276 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.728 4.372 -0.324 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -0.058 4.792 -1.491 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.406 3.121 0.241 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.908 3.964 -2.094 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.541 2.284 -0.376 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.191 2.699 -1.551 1.00 0.00 C ATOM 0 H PHE A 95 0.328 7.303 0.799 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.350 6.744 1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.546 4.545 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.386 5.692 -0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.287 5.754 -1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.889 2.804 1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.433 4.302 -2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.769 1.320 0.054 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.905 2.049 -2.035 1.00 0.00 H new ATOM 1395 N THR A 96 -1.273 4.962 3.289 1.00 0.00 N ATOM 1396 CA THR A 96 -0.667 4.200 4.365 1.00 0.00 C ATOM 1397 C THR A 96 -1.336 2.830 4.239 1.00 0.00 C ATOM 1398 O THR A 96 -2.531 2.730 3.938 1.00 0.00 O ATOM 1399 CB THR A 96 -0.824 4.912 5.725 1.00 0.00 C ATOM 1400 OG1 THR A 96 -0.225 4.150 6.752 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.282 5.175 6.118 1.00 0.00 C ATOM 0 H THR A 96 -2.286 4.852 3.254 1.00 0.00 H new ATOM 0 HA THR A 96 0.416 4.097 4.300 1.00 0.00 H new ATOM 0 HB THR A 96 -0.330 5.876 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.331 4.615 7.608 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.313 5.678 7.085 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.754 5.807 5.365 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.818 4.228 6.184 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.544 1.764 4.294 1.00 0.00 N ATOM 1410 CA VAL A 97 -1.028 0.406 4.106 1.00 0.00 C ATOM 1411 C VAL A 97 -1.054 -0.357 5.441 1.00 0.00 C ATOM 1412 O VAL A 97 -0.337 0.003 6.375 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.303 -0.182 2.884 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.177 -0.510 3.050 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -1.019 -1.415 2.383 1.00 0.00 C ATOM 0 H VAL A 97 0.459 1.822 4.472 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.081 0.332 3.835 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.335 0.635 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.566 -0.917 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.724 0.397 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.300 -1.245 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.491 -1.816 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.046 -2.166 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.038 -1.153 2.097 1.00 0.00 H new ATOM 1425 N THR A 98 -1.869 -1.406 5.530 1.00 0.00 N ATOM 1426 CA THR A 98 -2.094 -2.273 6.686 1.00 0.00 C ATOM 1427 C THR A 98 -2.586 -3.650 6.217 1.00 0.00 C ATOM 1428 O THR A 98 -2.710 -3.867 5.010 1.00 0.00 O ATOM 1429 CB THR A 98 -3.113 -1.607 7.637 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.167 -0.935 6.956 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.448 -0.628 8.599 1.00 0.00 C ATOM 0 H THR A 98 -2.435 -1.695 4.732 1.00 0.00 H new ATOM 0 HA THR A 98 -1.160 -2.417 7.229 1.00 0.00 H new ATOM 0 HB THR A 98 -3.544 -2.435 8.199 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.208 -1.246 6.028 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.204 -0.185 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.714 -1.157 9.207 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.951 0.159 8.032 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.799 -4.594 7.142 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.398 -5.901 6.861 1.00 0.00 C ATOM 1441 C LEU A 99 -4.920 -5.768 6.940 1.00 0.00 C ATOM 1442 O LEU A 99 -5.427 -4.787 7.489 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.953 -6.954 7.897 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.569 -7.562 7.620 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.100 -8.358 8.830 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.607 -8.498 6.400 1.00 0.00 C ATOM 0 H LEU A 99 -2.555 -4.467 8.124 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.076 -6.222 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.945 -6.495 8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.691 -7.756 7.924 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.881 -6.741 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.118 -8.786 8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.036 -7.699 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.809 -9.160 9.035 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.614 -8.913 6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.312 -9.309 6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.922 -7.937 5.520 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.637 -6.731 6.366 1.00 0.00 N ATOM 1459 CA GLU A 100 -7.090 -6.881 6.443 1.00 0.00 C ATOM 1460 C GLU A 100 -7.400 -7.567 7.763 1.00 0.00 C ATOM 1461 O GLU A 100 -8.434 -7.256 8.381 1.00 0.00 O ATOM 1462 CB GLU A 100 -7.589 -7.692 5.233 1.00 0.00 C ATOM 1463 CG GLU A 100 -9.047 -8.198 5.274 1.00 0.00 C ATOM 1464 CD GLU A 100 -10.205 -7.189 5.233 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -10.087 -6.026 5.678 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -11.320 -7.607 4.820 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.584 -8.412 8.200 1.00 0.00 O ATOM 0 H GLU A 100 -5.200 -7.464 5.807 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.601 -5.919 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.470 -7.076 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.935 -8.556 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.179 -8.879 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.161 -8.788 6.183 1.00 0.00 H new