USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 776 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 88 HIS : no HE2:sc= -28.6! C(o=-28!,f=-28!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 96 SER OG : rot 7:sc= 0.355 USER MOD Set 1.4: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 41 MET CE :methyl 161:sc= -2.64! (180deg=-1.71) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= -0.251 USER MOD Set 3.1: A 28 MET CE :methyl -125:sc= -31! (180deg=-31.1!) USER MOD Set 3.2: A 80 MET CE :methyl 156:sc= -17! (180deg=-20.6!) USER MOD Set 4.1: A 21 MET CE :methyl 133:sc= -4.12! (180deg=0) USER MOD Set 4.2: A 83 HIS : no HD1:sc= -6.69! C(o=-11!,f=-14!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -150:sc= 0 USER MOD Single : A 22 SER OG : rot 43:sc= -3.17! USER MOD Single : A 29 GLN : amide:sc= -0.192 K(o=-0.19,f=-0.73) USER MOD Single : A 33 SER OG : rot -77:sc= 1.06 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -5.84! C(o=-5.8!,f=-6.8!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 92:sc= 1.17 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -20! C(o=-25!,f=-20!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 167:sc= -10.5! USER MOD Single : A 78 SER OG : rot 91:sc= 1.14 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= -0.191 (180deg=-0.278) USER MOD Single : A 91 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.4!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -59:sc= 0.674! USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 12 0.334 11.897 -9.966 1.00 0.00 N ATOM 2 CA GLU A 12 0.601 10.597 -9.386 1.00 0.00 C ATOM 3 C GLU A 12 1.350 10.758 -8.070 1.00 0.00 C ATOM 4 O GLU A 12 2.137 11.689 -7.911 1.00 0.00 O ATOM 5 CB GLU A 12 1.413 9.759 -10.370 1.00 0.00 C ATOM 6 CG GLU A 12 1.903 8.492 -9.677 1.00 0.00 C ATOM 7 CD GLU A 12 1.909 7.313 -10.639 1.00 0.00 C ATOM 8 OE1 GLU A 12 3.017 6.961 -11.099 1.00 0.00 O ATOM 9 OE2 GLU A 12 0.806 6.787 -10.898 1.00 0.00 O ATOM 0 HA GLU A 12 -0.341 10.087 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.801 9.500 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.261 10.335 -10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.908 8.652 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.261 8.268 -8.825 1.00 0.00 H new ATOM 17 N ALA A 13 1.103 9.848 -7.126 1.00 0.00 N ATOM 18 CA ALA A 13 1.752 9.893 -5.831 1.00 0.00 C ATOM 19 C ALA A 13 3.231 10.205 -6.007 1.00 0.00 C ATOM 20 O ALA A 13 3.752 10.144 -7.118 1.00 0.00 O ATOM 21 CB ALA A 13 1.562 8.556 -5.121 1.00 0.00 C ATOM 0 H ALA A 13 0.453 9.070 -7.243 1.00 0.00 H new ATOM 0 HA ALA A 13 1.305 10.679 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.050 8.589 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.498 8.363 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.003 7.760 -5.721 1.00 0.00 H new ATOM 27 N PRO A 14 3.907 10.540 -4.906 1.00 0.00 N ATOM 28 CA PRO A 14 5.317 10.867 -4.882 1.00 0.00 C ATOM 29 C PRO A 14 6.138 9.602 -5.087 1.00 0.00 C ATOM 30 O PRO A 14 7.366 9.644 -5.056 1.00 0.00 O ATOM 31 CB PRO A 14 5.558 11.457 -3.494 1.00 0.00 C ATOM 32 CG PRO A 14 4.517 10.740 -2.636 1.00 0.00 C ATOM 33 CD PRO A 14 3.326 10.621 -3.584 1.00 0.00 C ATOM 0 HA PRO A 14 5.605 11.564 -5.669 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.572 11.265 -3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.416 12.538 -3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.869 9.764 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.267 11.310 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.730 9.736 -3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.664 11.482 -3.496 1.00 0.00 H new ATOM 41 N LEU A 15 5.456 8.472 -5.295 1.00 0.00 N ATOM 42 CA LEU A 15 6.124 7.203 -5.501 1.00 0.00 C ATOM 43 C LEU A 15 5.910 6.734 -6.934 1.00 0.00 C ATOM 44 O LEU A 15 5.458 7.503 -7.780 1.00 0.00 O ATOM 45 CB LEU A 15 5.582 6.177 -4.511 1.00 0.00 C ATOM 46 CG LEU A 15 4.863 6.898 -3.374 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.809 5.974 -2.771 1.00 0.00 C ATOM 48 CD2 LEU A 15 5.874 7.286 -2.299 1.00 0.00 C ATOM 0 H LEU A 15 4.438 8.420 -5.324 1.00 0.00 H new ATOM 0 HA LEU A 15 7.195 7.320 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.896 5.496 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.398 5.572 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 15 4.380 7.796 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.295 6.489 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.087 5.696 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.291 5.076 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.362 7.801 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.357 6.388 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.627 7.946 -2.729 1.00 0.00 H new ATOM 60 N THR A 16 6.237 5.469 -7.205 1.00 0.00 N ATOM 61 CA THR A 16 6.077 4.909 -8.532 1.00 0.00 C ATOM 62 C THR A 16 5.862 3.405 -8.438 1.00 0.00 C ATOM 63 O THR A 16 4.925 2.871 -9.028 1.00 0.00 O ATOM 64 CB THR A 16 7.313 5.227 -9.369 1.00 0.00 C ATOM 65 OG1 THR A 16 7.927 6.396 -8.875 1.00 0.00 O ATOM 66 CG2 THR A 16 6.901 5.444 -10.822 1.00 0.00 C ATOM 0 H THR A 16 6.614 4.818 -6.516 1.00 0.00 H new ATOM 0 HA THR A 16 5.204 5.350 -9.013 1.00 0.00 H new ATOM 0 HB THR A 16 8.015 4.395 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.722 6.600 -9.411 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.783 5.671 -11.420 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.426 4.540 -11.204 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.199 6.276 -10.881 1.00 0.00 H new ATOM 74 N VAL A 17 6.734 2.722 -7.693 1.00 0.00 N ATOM 75 CA VAL A 17 6.637 1.286 -7.525 1.00 0.00 C ATOM 76 C VAL A 17 7.924 0.752 -6.911 1.00 0.00 C ATOM 77 O VAL A 17 7.900 -0.231 -6.173 1.00 0.00 O ATOM 78 CB VAL A 17 6.371 0.633 -8.878 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.376 -0.492 -9.107 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.956 0.064 -8.898 1.00 0.00 C ATOM 0 H VAL A 17 7.516 3.151 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 17 5.811 1.048 -6.854 1.00 0.00 H new ATOM 0 HB VAL A 17 6.474 1.377 -9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.186 -0.959 -10.074 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.387 -0.085 -9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.274 -1.237 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.765 -0.403 -9.864 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.852 -0.680 -8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.238 0.868 -8.735 1.00 0.00 H new ATOM 90 N LYS A 18 9.049 1.402 -7.218 1.00 0.00 N ATOM 91 CA LYS A 18 10.335 0.988 -6.695 1.00 0.00 C ATOM 92 C LYS A 18 10.668 1.789 -5.444 1.00 0.00 C ATOM 93 O LYS A 18 11.595 1.447 -4.713 1.00 0.00 O ATOM 94 CB LYS A 18 11.406 1.188 -7.764 1.00 0.00 C ATOM 95 CG LYS A 18 11.164 0.214 -8.914 1.00 0.00 C ATOM 96 CD LYS A 18 12.420 0.121 -9.775 1.00 0.00 C ATOM 97 CE LYS A 18 12.058 -0.448 -11.144 1.00 0.00 C ATOM 98 NZ LYS A 18 13.258 -0.905 -11.860 1.00 0.00 N ATOM 0 H LYS A 18 9.086 2.218 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 18 10.298 -0.068 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.382 2.214 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.396 1.025 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.905 -0.770 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.321 0.550 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.871 1.107 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.160 -0.515 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.363 -1.279 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.546 0.312 -11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.984 -1.287 -12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.908 -0.105 -11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.731 -1.647 -11.306 1.00 0.00 H new ATOM 112 N SER A 19 9.906 2.857 -5.197 1.00 0.00 N ATOM 113 CA SER A 19 10.122 3.698 -4.037 1.00 0.00 C ATOM 114 C SER A 19 10.472 2.836 -2.833 1.00 0.00 C ATOM 115 O SER A 19 9.895 1.768 -2.642 1.00 0.00 O ATOM 116 CB SER A 19 8.867 4.522 -3.766 1.00 0.00 C ATOM 117 OG SER A 19 9.014 5.803 -4.338 1.00 0.00 O ATOM 0 H SER A 19 9.133 3.153 -5.793 1.00 0.00 H new ATOM 0 HA SER A 19 10.953 4.378 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.993 4.023 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.700 4.608 -2.692 1.00 0.00 H new ATOM 0 HG SER A 19 8.506 6.456 -3.813 1.00 0.00 H new ATOM 123 N ASP A 20 11.420 3.303 -2.017 1.00 0.00 N ATOM 124 CA ASP A 20 11.841 2.575 -0.837 1.00 0.00 C ATOM 125 C ASP A 20 10.632 1.940 -0.166 1.00 0.00 C ATOM 126 O ASP A 20 9.756 2.643 0.332 1.00 0.00 O ATOM 127 CB ASP A 20 12.554 3.527 0.119 1.00 0.00 C ATOM 128 CG ASP A 20 13.910 2.971 0.530 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.765 2.838 -0.372 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.066 2.688 1.737 1.00 0.00 O ATOM 0 H ASP A 20 11.907 4.187 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 20 12.533 1.782 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.684 4.498 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.939 3.687 1.004 1.00 0.00 H new ATOM 136 N MET A 21 10.585 0.606 -0.153 1.00 0.00 N ATOM 137 CA MET A 21 9.483 -0.113 0.455 1.00 0.00 C ATOM 138 C MET A 21 9.136 0.512 1.799 1.00 0.00 C ATOM 139 O MET A 21 7.971 0.544 2.189 1.00 0.00 O ATOM 140 CB MET A 21 9.866 -1.580 0.624 1.00 0.00 C ATOM 141 CG MET A 21 9.492 -2.352 -0.638 1.00 0.00 C ATOM 142 SD MET A 21 10.528 -1.964 -2.071 1.00 0.00 S ATOM 143 CE MET A 21 11.768 -3.271 -1.894 1.00 0.00 C ATOM 0 H MET A 21 11.304 0.008 -0.560 1.00 0.00 H new ATOM 0 HA MET A 21 8.605 -0.051 -0.188 1.00 0.00 H new ATOM 0 HB2 MET A 21 10.936 -1.668 0.813 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.353 -2.004 1.488 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.560 -3.420 -0.432 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.452 -2.141 -0.886 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.927 -3.755 -2.858 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.706 -2.838 -1.547 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.419 -4.008 -1.171 1.00 0.00 H new ATOM 153 N SER A 22 10.153 1.009 2.507 1.00 0.00 N ATOM 154 CA SER A 22 9.950 1.630 3.800 1.00 0.00 C ATOM 155 C SER A 22 9.158 2.920 3.636 1.00 0.00 C ATOM 156 O SER A 22 8.298 3.231 4.456 1.00 0.00 O ATOM 157 CB SER A 22 11.304 1.906 4.448 1.00 0.00 C ATOM 158 OG SER A 22 11.110 2.326 5.780 1.00 0.00 O ATOM 0 H SER A 22 11.125 0.989 2.198 1.00 0.00 H new ATOM 0 HA SER A 22 9.382 0.959 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.920 1.007 4.425 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.838 2.673 3.887 1.00 0.00 H new ATOM 0 HG SER A 22 10.422 1.770 6.201 1.00 0.00 H new ATOM 164 N ALA A 23 9.450 3.669 2.571 1.00 0.00 N ATOM 165 CA ALA A 23 8.766 4.919 2.304 1.00 0.00 C ATOM 166 C ALA A 23 7.340 4.639 1.850 1.00 0.00 C ATOM 167 O ALA A 23 6.439 5.436 2.099 1.00 0.00 O ATOM 168 CB ALA A 23 9.530 5.699 1.239 1.00 0.00 C ATOM 0 H ALA A 23 10.160 3.423 1.881 1.00 0.00 H new ATOM 0 HA ALA A 23 8.726 5.518 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.016 6.639 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.540 5.906 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.581 5.110 0.323 1.00 0.00 H new ATOM 174 N ILE A 24 7.138 3.502 1.180 1.00 0.00 N ATOM 175 CA ILE A 24 5.827 3.121 0.695 1.00 0.00 C ATOM 176 C ILE A 24 4.910 2.819 1.872 1.00 0.00 C ATOM 177 O ILE A 24 3.849 3.424 2.005 1.00 0.00 O ATOM 178 CB ILE A 24 5.956 1.904 -0.218 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.623 2.317 -1.526 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.569 1.338 -0.510 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.860 3.489 -2.138 1.00 0.00 C ATOM 0 H ILE A 24 7.876 2.832 0.965 1.00 0.00 H new ATOM 0 HA ILE A 24 5.393 3.942 0.124 1.00 0.00 H new ATOM 0 HB ILE A 24 6.563 1.144 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.660 2.599 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.638 1.477 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.660 0.469 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.093 1.042 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.962 2.098 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.336 3.785 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.830 3.190 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.868 4.330 -1.445 1.00 0.00 H new ATOM 193 N VAL A 25 5.323 1.879 2.726 1.00 0.00 N ATOM 194 CA VAL A 25 4.539 1.503 3.885 1.00 0.00 C ATOM 195 C VAL A 25 4.284 2.726 4.754 1.00 0.00 C ATOM 196 O VAL A 25 3.173 2.923 5.241 1.00 0.00 O ATOM 197 CB VAL A 25 5.281 0.426 4.672 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.454 0.024 5.890 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.500 -0.794 3.781 1.00 0.00 C ATOM 0 H VAL A 25 6.200 1.368 2.628 1.00 0.00 H new ATOM 0 HA VAL A 25 3.577 1.103 3.564 1.00 0.00 H new ATOM 0 HB VAL A 25 6.245 0.815 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.984 -0.745 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.297 0.895 6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.490 -0.365 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.030 -1.564 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.536 -1.183 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.091 -0.508 2.911 1.00 0.00 H new ATOM 209 N ARG A 26 5.318 3.549 4.947 1.00 0.00 N ATOM 210 CA ARG A 26 5.201 4.746 5.755 1.00 0.00 C ATOM 211 C ARG A 26 4.071 5.617 5.226 1.00 0.00 C ATOM 212 O ARG A 26 3.253 6.112 5.998 1.00 0.00 O ATOM 213 CB ARG A 26 6.525 5.505 5.732 1.00 0.00 C ATOM 214 CG ARG A 26 7.180 5.428 7.108 1.00 0.00 C ATOM 215 CD ARG A 26 8.497 4.665 7.002 1.00 0.00 C ATOM 216 NE ARG A 26 9.488 5.194 7.940 1.00 0.00 N ATOM 217 CZ ARG A 26 10.806 5.021 7.777 1.00 0.00 C ATOM 218 NH1 ARG A 26 11.267 4.339 6.720 1.00 0.00 N ATOM 219 NH2 ARG A 26 11.664 5.529 8.672 1.00 0.00 N ATOM 0 H ARG A 26 6.245 3.400 4.549 1.00 0.00 H new ATOM 0 HA ARG A 26 4.971 4.473 6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.187 5.079 4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.355 6.546 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.359 6.431 7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.514 4.929 7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.326 3.608 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.881 4.735 5.984 1.00 0.00 H new ATOM 0 HE ARG A 26 9.161 5.717 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.614 3.951 6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.271 4.208 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.313 6.047 9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.668 5.397 8.548 1.00 0.00 H new ATOM 233 N VAL A 27 4.027 5.804 3.905 1.00 0.00 N ATOM 234 CA VAL A 27 3.000 6.612 3.280 1.00 0.00 C ATOM 235 C VAL A 27 1.626 6.058 3.628 1.00 0.00 C ATOM 236 O VAL A 27 0.829 6.731 4.278 1.00 0.00 O ATOM 237 CB VAL A 27 3.211 6.623 1.769 1.00 0.00 C ATOM 238 CG1 VAL A 27 2.090 7.416 1.104 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.554 7.275 1.449 1.00 0.00 C ATOM 0 H VAL A 27 4.699 5.401 3.252 1.00 0.00 H new ATOM 0 HA VAL A 27 3.062 7.636 3.650 1.00 0.00 H new ATOM 0 HB VAL A 27 3.204 5.600 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.241 7.424 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.131 6.952 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.097 8.440 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.706 7.284 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.560 8.298 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.355 6.709 1.924 1.00 0.00 H new ATOM 249 N MET A 28 1.349 4.825 3.195 1.00 0.00 N ATOM 250 CA MET A 28 0.074 4.192 3.462 1.00 0.00 C ATOM 251 C MET A 28 -0.348 4.462 4.899 1.00 0.00 C ATOM 252 O MET A 28 -1.516 4.738 5.165 1.00 0.00 O ATOM 253 CB MET A 28 0.189 2.691 3.208 1.00 0.00 C ATOM 254 CG MET A 28 0.824 2.455 1.840 1.00 0.00 C ATOM 255 SD MET A 28 0.176 1.006 0.970 1.00 0.00 S ATOM 256 CE MET A 28 0.893 -0.296 2.001 1.00 0.00 C ATOM 0 H MET A 28 1.999 4.252 2.657 1.00 0.00 H new ATOM 0 HA MET A 28 -0.685 4.605 2.798 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.793 2.225 3.987 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.797 2.228 3.248 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.668 3.338 1.221 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.901 2.340 1.965 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.470 -0.978 1.377 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.547 0.151 2.749 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.095 -0.847 2.499 1.00 0.00 H new ATOM 266 N GLN A 29 0.608 4.384 5.828 1.00 0.00 N ATOM 267 CA GLN A 29 0.332 4.620 7.231 1.00 0.00 C ATOM 268 C GLN A 29 -0.179 6.040 7.425 1.00 0.00 C ATOM 269 O GLN A 29 -1.183 6.254 8.101 1.00 0.00 O ATOM 270 CB GLN A 29 1.602 4.387 8.044 1.00 0.00 C ATOM 271 CG GLN A 29 1.602 2.963 8.592 1.00 0.00 C ATOM 272 CD GLN A 29 2.932 2.637 9.256 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.520 1.590 8.993 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.405 3.537 10.121 1.00 0.00 N ATOM 0 H GLN A 29 1.581 4.158 5.624 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.437 3.929 7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.481 4.548 7.419 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.658 5.103 8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.793 2.846 9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.412 2.258 7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.880 4.392 10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.292 3.370 10.597 1.00 0.00 H new ATOM 283 N LEU A 30 0.514 7.013 6.829 1.00 0.00 N ATOM 284 CA LEU A 30 0.128 8.406 6.938 1.00 0.00 C ATOM 285 C LEU A 30 -1.387 8.529 6.862 1.00 0.00 C ATOM 286 O LEU A 30 -2.022 7.904 6.015 1.00 0.00 O ATOM 287 CB LEU A 30 0.791 9.206 5.821 1.00 0.00 C ATOM 288 CG LEU A 30 2.307 9.165 5.997 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.983 9.545 4.683 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.719 10.153 7.085 1.00 0.00 C ATOM 0 H LEU A 30 1.348 6.852 6.265 1.00 0.00 H new ATOM 0 HA LEU A 30 0.458 8.804 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.515 8.793 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.440 10.238 5.840 1.00 0.00 H new ATOM 0 HG LEU A 30 2.612 8.159 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.065 9.516 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.689 8.840 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.678 10.551 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.801 10.124 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.414 11.159 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.237 9.882 8.024 1.00 0.00 H new ATOM 302 N PRO A 31 -1.967 9.339 7.751 1.00 0.00 N ATOM 303 CA PRO A 31 -3.391 9.580 7.828 1.00 0.00 C ATOM 304 C PRO A 31 -3.827 10.443 6.653 1.00 0.00 C ATOM 305 O PRO A 31 -5.003 10.777 6.528 1.00 0.00 O ATOM 306 CB PRO A 31 -3.593 10.315 9.152 1.00 0.00 C ATOM 307 CG PRO A 31 -2.276 11.071 9.323 1.00 0.00 C ATOM 308 CD PRO A 31 -1.251 10.089 8.761 1.00 0.00 C ATOM 0 HA PRO A 31 -3.979 8.663 7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.446 10.992 9.113 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.773 9.624 9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.276 12.014 8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.078 11.309 10.368 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.396 10.612 8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.864 9.432 9.540 1.00 0.00 H new ATOM 316 N ASP A 32 -2.875 10.805 5.790 1.00 0.00 N ATOM 317 CA ASP A 32 -3.164 11.628 4.633 1.00 0.00 C ATOM 318 C ASP A 32 -2.635 10.953 3.376 1.00 0.00 C ATOM 319 O ASP A 32 -2.208 11.626 2.441 1.00 0.00 O ATOM 320 CB ASP A 32 -2.529 13.003 4.817 1.00 0.00 C ATOM 321 CG ASP A 32 -3.561 14.107 4.632 1.00 0.00 C ATOM 322 OD1 ASP A 32 -4.182 14.128 3.548 1.00 0.00 O ATOM 323 OD2 ASP A 32 -3.708 14.910 5.579 1.00 0.00 O ATOM 0 H ASP A 32 -1.895 10.535 5.879 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.242 11.751 4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.088 13.074 5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.719 13.133 4.099 1.00 0.00 H new ATOM 329 N SER A 33 -2.663 9.618 3.356 1.00 0.00 N ATOM 330 CA SER A 33 -2.188 8.862 2.214 1.00 0.00 C ATOM 331 C SER A 33 -3.369 8.399 1.374 1.00 0.00 C ATOM 332 O SER A 33 -3.448 8.708 0.187 1.00 0.00 O ATOM 333 CB SER A 33 -1.369 7.670 2.701 1.00 0.00 C ATOM 334 OG SER A 33 -2.145 6.899 3.591 1.00 0.00 O ATOM 0 H SER A 33 -3.012 9.045 4.124 1.00 0.00 H new ATOM 0 HA SER A 33 -1.553 9.493 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.055 7.060 1.854 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.463 8.016 3.198 1.00 0.00 H new ATOM 0 HG SER A 33 -2.181 7.344 4.463 1.00 0.00 H new ATOM 340 N GLY A 34 -4.290 7.655 1.992 1.00 0.00 N ATOM 341 CA GLY A 34 -5.459 7.157 1.295 1.00 0.00 C ATOM 342 C GLY A 34 -5.865 5.799 1.850 1.00 0.00 C ATOM 343 O GLY A 34 -7.052 5.494 1.945 1.00 0.00 O ATOM 0 H GLY A 34 -4.241 7.389 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.283 7.863 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.247 7.074 0.229 1.00 0.00 H new ATOM 347 N LEU A 35 -4.875 4.983 2.218 1.00 0.00 N ATOM 348 CA LEU A 35 -5.133 3.664 2.761 1.00 0.00 C ATOM 349 C LEU A 35 -5.512 3.776 4.231 1.00 0.00 C ATOM 350 O LEU A 35 -6.570 3.302 4.638 1.00 0.00 O ATOM 351 CB LEU A 35 -3.892 2.792 2.588 1.00 0.00 C ATOM 352 CG LEU A 35 -4.140 1.425 3.218 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.596 1.021 3.001 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.223 0.392 2.569 1.00 0.00 C ATOM 0 H LEU A 35 -3.886 5.221 2.146 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.963 3.203 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.658 2.679 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.031 3.269 3.056 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.932 1.475 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.774 0.044 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.251 1.759 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.804 0.971 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.400 -0.585 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.430 0.342 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.183 0.680 2.724 1.00 0.00 H new ATOM 366 N GLU A 36 -4.645 4.405 5.027 1.00 0.00 N ATOM 367 CA GLU A 36 -4.897 4.575 6.444 1.00 0.00 C ATOM 368 C GLU A 36 -4.829 3.228 7.149 1.00 0.00 C ATOM 369 O GLU A 36 -5.727 2.402 7.003 1.00 0.00 O ATOM 370 CB GLU A 36 -6.265 5.221 6.642 1.00 0.00 C ATOM 371 CG GLU A 36 -6.085 6.675 7.069 1.00 0.00 C ATOM 372 CD GLU A 36 -6.563 7.624 5.979 1.00 0.00 C ATOM 373 OE1 GLU A 36 -5.686 8.163 5.271 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.797 7.792 5.875 1.00 0.00 O ATOM 0 H GLU A 36 -3.763 4.803 4.706 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.136 5.225 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.840 5.171 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.830 4.676 7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.642 6.860 7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.035 6.866 7.289 1.00 0.00 H new ATOM 382 N ILE A 37 -3.759 3.008 7.916 1.00 0.00 N ATOM 383 CA ILE A 37 -3.577 1.767 8.642 1.00 0.00 C ATOM 384 C ILE A 37 -3.853 1.991 10.122 1.00 0.00 C ATOM 385 O ILE A 37 -3.010 2.529 10.837 1.00 0.00 O ATOM 386 CB ILE A 37 -2.156 1.255 8.426 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.726 1.536 6.990 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.112 -0.248 8.686 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.430 0.563 6.048 1.00 0.00 C ATOM 0 H ILE A 37 -3.006 3.683 8.045 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.277 1.018 8.272 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.479 1.763 9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.972 2.563 6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.645 1.432 6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.097 -0.614 8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.418 -0.449 9.713 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.789 -0.756 7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.123 0.764 5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.161 -0.459 6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.509 0.689 6.135 1.00 0.00 H new ATOM 401 N ARG A 38 -5.036 1.576 10.581 1.00 0.00 N ATOM 402 CA ARG A 38 -5.416 1.734 11.970 1.00 0.00 C ATOM 403 C ARG A 38 -6.816 1.179 12.188 1.00 0.00 C ATOM 404 O ARG A 38 -7.102 0.603 13.236 1.00 0.00 O ATOM 405 CB ARG A 38 -5.355 3.211 12.348 1.00 0.00 C ATOM 406 CG ARG A 38 -4.140 3.459 13.236 1.00 0.00 C ATOM 407 CD ARG A 38 -3.344 4.642 12.691 1.00 0.00 C ATOM 408 NE ARG A 38 -2.240 4.990 13.586 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.617 6.175 13.543 1.00 0.00 C ATOM 410 NH1 ARG A 38 -1.999 7.102 12.653 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.611 6.435 14.389 1.00 0.00 N ATOM 0 H ARG A 38 -5.744 1.127 10.001 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.725 1.181 12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.293 3.825 11.450 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.266 3.501 12.871 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.459 3.662 14.258 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.512 2.569 13.268 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.953 4.397 11.704 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.002 5.502 12.569 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.932 4.301 14.272 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.764 6.905 12.008 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.524 8.004 12.621 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.319 5.730 15.066 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.137 7.338 14.356 1.00 0.00 H new ATOM 425 N ASP A 39 -7.691 1.353 11.194 1.00 0.00 N ATOM 426 CA ASP A 39 -9.054 0.870 11.283 1.00 0.00 C ATOM 427 C ASP A 39 -9.528 0.411 9.911 1.00 0.00 C ATOM 428 O ASP A 39 -9.212 1.038 8.902 1.00 0.00 O ATOM 429 CB ASP A 39 -9.952 1.980 11.822 1.00 0.00 C ATOM 430 CG ASP A 39 -9.228 2.799 12.881 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.520 3.748 12.479 1.00 0.00 O ATOM 432 OD2 ASP A 39 -9.395 2.461 14.073 1.00 0.00 O ATOM 0 H ASP A 39 -7.470 1.828 10.319 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.100 0.021 11.965 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.264 2.630 11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.857 1.547 12.248 1.00 0.00 H new ATOM 438 N ARG A 40 -10.288 -0.686 9.877 1.00 0.00 N ATOM 439 CA ARG A 40 -10.799 -1.223 8.632 1.00 0.00 C ATOM 440 C ARG A 40 -12.016 -2.094 8.907 1.00 0.00 C ATOM 441 O ARG A 40 -12.433 -2.237 10.054 1.00 0.00 O ATOM 442 CB ARG A 40 -9.704 -2.029 7.939 1.00 0.00 C ATOM 443 CG ARG A 40 -8.825 -1.090 7.116 1.00 0.00 C ATOM 444 CD ARG A 40 -8.692 -1.633 5.696 1.00 0.00 C ATOM 445 NE ARG A 40 -9.606 -0.945 4.783 1.00 0.00 N ATOM 446 CZ ARG A 40 -9.553 0.375 4.561 1.00 0.00 C ATOM 447 NH1 ARG A 40 -8.634 1.123 5.186 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.419 0.948 3.714 1.00 0.00 N ATOM 0 H ARG A 40 -10.559 -1.215 10.706 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.102 -0.406 7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.100 -2.554 8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.148 -2.787 7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.261 -0.091 7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.841 -0.999 7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.666 -1.509 5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.904 -2.702 5.691 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.314 -1.494 4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.975 0.687 5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.594 2.128 5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.119 0.379 3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.378 1.953 3.545 1.00 0.00 H new ATOM 462 N MET A 41 -12.587 -2.678 7.851 1.00 0.00 N ATOM 463 CA MET A 41 -13.752 -3.529 7.987 1.00 0.00 C ATOM 464 C MET A 41 -13.524 -4.841 7.250 1.00 0.00 C ATOM 465 O MET A 41 -12.954 -4.854 6.161 1.00 0.00 O ATOM 466 CB MET A 41 -14.976 -2.805 7.434 1.00 0.00 C ATOM 467 CG MET A 41 -15.289 -1.594 8.308 1.00 0.00 C ATOM 468 SD MET A 41 -17.057 -1.246 8.478 1.00 0.00 S ATOM 469 CE MET A 41 -17.559 -2.733 9.378 1.00 0.00 C ATOM 0 H MET A 41 -12.254 -2.571 6.893 1.00 0.00 H new ATOM 0 HA MET A 41 -13.922 -3.753 9.040 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.791 -2.488 6.408 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.831 -3.480 7.410 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.864 -1.754 9.299 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.796 -0.718 7.887 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.519 -2.558 9.863 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.651 -3.566 8.681 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.809 -2.972 10.132 1.00 0.00 H new ATOM 479 N TRP A 42 -13.973 -5.948 7.846 1.00 0.00 N ATOM 480 CA TRP A 42 -13.816 -7.255 7.240 1.00 0.00 C ATOM 481 C TRP A 42 -14.760 -8.249 7.901 1.00 0.00 C ATOM 482 O TRP A 42 -14.888 -8.270 9.123 1.00 0.00 O ATOM 483 CB TRP A 42 -12.366 -7.710 7.382 1.00 0.00 C ATOM 484 CG TRP A 42 -12.059 -9.035 6.762 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.509 -10.089 7.405 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.270 -9.475 5.386 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.367 -11.142 6.527 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.821 -10.817 5.265 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.796 -8.876 4.227 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.889 -11.527 4.063 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.868 -9.579 3.016 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.416 -10.902 2.930 1.00 0.00 C ATOM 0 H TRP A 42 -14.448 -5.956 8.749 1.00 0.00 H new ATOM 0 HA TRP A 42 -14.064 -7.200 6.180 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.718 -6.957 6.934 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.117 -7.755 8.442 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.224 -10.104 8.447 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.975 -12.049 6.779 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -13.151 -7.857 4.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.538 -12.547 4.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.276 -9.096 2.141 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.475 -11.436 1.993 1.00 0.00 H new ATOM 503 N LEU A 43 -15.423 -9.076 7.088 1.00 0.00 N ATOM 504 CA LEU A 43 -16.351 -10.067 7.596 1.00 0.00 C ATOM 505 C LEU A 43 -17.562 -9.376 8.207 1.00 0.00 C ATOM 506 O LEU A 43 -18.242 -9.947 9.057 1.00 0.00 O ATOM 507 CB LEU A 43 -15.647 -10.939 8.631 1.00 0.00 C ATOM 508 CG LEU A 43 -15.166 -12.227 7.969 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.644 -12.209 7.866 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.606 -13.424 8.807 1.00 0.00 C ATOM 0 H LEU A 43 -15.328 -9.072 6.072 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.694 -10.701 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.802 -10.401 9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.328 -11.171 9.450 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.596 -12.305 6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.300 -13.129 7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.330 -11.354 7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.213 -12.131 8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.263 -14.345 8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.176 -13.347 9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.693 -13.437 8.880 1.00 0.00 H new ATOM 522 N LYS A 44 -17.831 -8.143 7.771 1.00 0.00 N ATOM 523 CA LYS A 44 -18.957 -7.383 8.277 1.00 0.00 C ATOM 524 C LYS A 44 -18.682 -6.940 9.707 1.00 0.00 C ATOM 525 O LYS A 44 -19.608 -6.625 10.450 1.00 0.00 O ATOM 526 CB LYS A 44 -20.218 -8.240 8.210 1.00 0.00 C ATOM 527 CG LYS A 44 -20.816 -8.155 6.809 1.00 0.00 C ATOM 528 CD LYS A 44 -22.223 -7.571 6.890 1.00 0.00 C ATOM 529 CE LYS A 44 -22.771 -7.366 5.480 1.00 0.00 C ATOM 530 NZ LYS A 44 -23.541 -8.539 5.037 1.00 0.00 N ATOM 0 H LYS A 44 -17.277 -7.656 7.066 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.104 -6.493 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.980 -9.276 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.943 -7.897 8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.189 -7.532 6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.848 -9.145 6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.875 -8.241 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.204 -6.622 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -23.406 -6.480 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.948 -7.185 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.902 -8.374 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -22.926 -9.378 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.339 -8.695 5.685 1.00 0.00 H new ATOM 544 N ILE A 45 -17.403 -6.916 10.090 1.00 0.00 N ATOM 545 CA ILE A 45 -17.010 -6.510 11.424 1.00 0.00 C ATOM 546 C ILE A 45 -16.101 -5.292 11.346 1.00 0.00 C ATOM 547 O ILE A 45 -15.807 -4.804 10.257 1.00 0.00 O ATOM 548 CB ILE A 45 -16.303 -7.670 12.120 1.00 0.00 C ATOM 549 CG1 ILE A 45 -16.871 -8.992 11.611 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.522 -7.569 13.627 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.076 -10.150 12.208 1.00 0.00 C ATOM 0 H ILE A 45 -16.624 -7.176 9.485 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.894 -6.241 12.002 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.235 -7.626 11.904 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.922 -9.078 11.886 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.822 -9.026 10.523 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.017 -8.397 14.124 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.116 -6.625 13.991 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.589 -7.612 13.843 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.481 -11.095 11.845 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.031 -10.065 11.911 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.148 -10.118 13.295 1.00 0.00 H new ATOM 563 N THR A 46 -15.655 -4.801 12.504 1.00 0.00 N ATOM 564 CA THR A 46 -14.782 -3.645 12.555 1.00 0.00 C ATOM 565 C THR A 46 -13.523 -3.980 13.341 1.00 0.00 C ATOM 566 O THR A 46 -13.597 -4.558 14.423 1.00 0.00 O ATOM 567 CB THR A 46 -15.525 -2.477 13.198 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.456 -1.950 12.279 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.526 -1.391 13.588 1.00 0.00 C ATOM 0 H THR A 46 -15.889 -5.193 13.416 1.00 0.00 H new ATOM 0 HA THR A 46 -14.489 -3.362 11.544 1.00 0.00 H new ATOM 0 HB THR A 46 -16.049 -2.825 14.088 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.935 -1.201 12.692 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.056 -0.557 14.047 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.805 -1.797 14.297 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.002 -1.042 12.698 1.00 0.00 H new ATOM 577 N ILE A 47 -12.362 -3.614 12.792 1.00 0.00 N ATOM 578 CA ILE A 47 -11.092 -3.873 13.441 1.00 0.00 C ATOM 579 C ILE A 47 -10.347 -2.563 13.657 1.00 0.00 C ATOM 580 O ILE A 47 -10.508 -1.621 12.885 1.00 0.00 O ATOM 581 CB ILE A 47 -10.269 -4.829 12.582 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.117 -6.043 12.214 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.040 -5.285 13.363 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.775 -5.811 10.856 1.00 0.00 C ATOM 0 H ILE A 47 -12.284 -3.135 11.895 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.263 -4.335 14.413 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.953 -4.318 11.672 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.495 -6.938 12.181 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.879 -6.212 12.975 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.452 -5.968 12.750 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.433 -4.418 13.625 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.356 -5.795 14.273 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.381 -6.678 10.592 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.410 -4.926 10.906 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.005 -5.663 10.099 1.00 0.00 H new ATOM 596 N ALA A 48 -9.531 -2.506 14.712 1.00 0.00 N ATOM 597 CA ALA A 48 -8.769 -1.314 15.025 1.00 0.00 C ATOM 598 C ALA A 48 -7.319 -1.505 14.605 1.00 0.00 C ATOM 599 O ALA A 48 -6.404 -1.219 15.375 1.00 0.00 O ATOM 600 CB ALA A 48 -8.865 -1.028 16.521 1.00 0.00 C ATOM 0 H ALA A 48 -9.387 -3.279 15.361 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.176 -0.463 14.479 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.292 -0.131 16.758 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.909 -0.875 16.796 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.463 -1.873 17.080 1.00 0.00 H new ATOM 606 N ASN A 49 -7.109 -1.990 13.379 1.00 0.00 N ATOM 607 CA ASN A 49 -5.773 -2.215 12.865 1.00 0.00 C ATOM 608 C ASN A 49 -5.795 -3.335 11.835 1.00 0.00 C ATOM 609 O ASN A 49 -5.711 -4.510 12.189 1.00 0.00 O ATOM 610 CB ASN A 49 -4.838 -2.561 14.021 1.00 0.00 C ATOM 611 CG ASN A 49 -5.524 -3.485 15.017 1.00 0.00 C ATOM 612 OD1 ASN A 49 -6.331 -4.328 14.631 1.00 0.00 O ATOM 613 ND2 ASN A 49 -5.200 -3.326 16.302 1.00 0.00 N ATOM 0 H ASN A 49 -7.856 -2.233 12.728 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.410 -1.310 12.377 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.938 -3.040 13.635 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.522 -1.647 14.524 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.628 -3.919 17.013 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.524 -2.612 16.573 1.00 0.00 H new ATOM 620 N ALA A 50 -5.907 -2.969 10.556 1.00 0.00 N ATOM 621 CA ALA A 50 -5.939 -3.942 9.483 1.00 0.00 C ATOM 622 C ALA A 50 -5.643 -3.256 8.157 1.00 0.00 C ATOM 623 O ALA A 50 -5.782 -2.041 8.040 1.00 0.00 O ATOM 624 CB ALA A 50 -7.308 -4.615 9.449 1.00 0.00 C ATOM 0 H ALA A 50 -5.977 -2.000 10.246 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.178 -4.704 9.654 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.333 -5.347 8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.491 -5.116 10.400 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.079 -3.863 9.281 1.00 0.00 H new ATOM 630 N VAL A 51 -5.232 -4.039 7.157 1.00 0.00 N ATOM 631 CA VAL A 51 -4.917 -3.505 5.847 1.00 0.00 C ATOM 632 C VAL A 51 -4.349 -4.608 4.964 1.00 0.00 C ATOM 633 O VAL A 51 -4.830 -4.826 3.855 1.00 0.00 O ATOM 634 CB VAL A 51 -3.919 -2.360 5.991 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.668 -1.030 6.001 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.149 -2.519 7.299 1.00 0.00 C ATOM 0 H VAL A 51 -5.112 -5.049 7.239 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.824 -3.122 5.379 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.222 -2.378 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.955 -0.212 6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.219 -0.916 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.365 -1.011 6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.436 -1.701 7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.847 -2.501 8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.614 -3.469 7.293 1.00 0.00 H new ATOM 646 N ILE A 52 -3.323 -5.303 5.461 1.00 0.00 N ATOM 647 CA ILE A 52 -2.696 -6.379 4.720 1.00 0.00 C ATOM 648 C ILE A 52 -2.294 -5.885 3.337 1.00 0.00 C ATOM 649 O ILE A 52 -2.615 -4.760 2.960 1.00 0.00 O ATOM 650 CB ILE A 52 -3.663 -7.555 4.616 1.00 0.00 C ATOM 651 CG1 ILE A 52 -2.886 -8.864 4.729 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.381 -7.504 3.270 1.00 0.00 C ATOM 653 CD1 ILE A 52 -3.807 -9.957 5.264 1.00 0.00 C ATOM 0 H ILE A 52 -2.913 -5.132 6.379 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.798 -6.711 5.241 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.395 -7.497 5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.492 -9.151 3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.031 -8.736 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.072 -8.343 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.935 -6.569 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.649 -7.563 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.253 -10.892 5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.180 -9.670 6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.647 -10.091 4.582 1.00 0.00 H new ATOM 665 N GLY A 53 -1.589 -6.729 2.580 1.00 0.00 N ATOM 666 CA GLY A 53 -1.150 -6.370 1.246 1.00 0.00 C ATOM 667 C GLY A 53 -2.346 -6.008 0.377 1.00 0.00 C ATOM 668 O GLY A 53 -2.247 -5.145 -0.492 1.00 0.00 O ATOM 0 H GLY A 53 -1.314 -7.665 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.460 -5.527 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.605 -7.201 0.799 1.00 0.00 H new ATOM 672 N ALA A 54 -3.480 -6.671 0.615 1.00 0.00 N ATOM 673 CA ALA A 54 -4.688 -6.418 -0.146 1.00 0.00 C ATOM 674 C ALA A 54 -4.931 -4.919 -0.242 1.00 0.00 C ATOM 675 O ALA A 54 -4.957 -4.361 -1.337 1.00 0.00 O ATOM 676 CB ALA A 54 -5.867 -7.115 0.527 1.00 0.00 C ATOM 0 H ALA A 54 -3.579 -7.388 1.333 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.577 -6.814 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.776 -6.926 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.681 -8.188 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.988 -6.730 1.539 1.00 0.00 H new ATOM 682 N ASP A 55 -5.111 -4.266 0.908 1.00 0.00 N ATOM 683 CA ASP A 55 -5.352 -2.837 0.947 1.00 0.00 C ATOM 684 C ASP A 55 -4.115 -2.093 0.466 1.00 0.00 C ATOM 685 O ASP A 55 -4.214 -1.196 -0.368 1.00 0.00 O ATOM 686 CB ASP A 55 -5.715 -2.422 2.370 1.00 0.00 C ATOM 687 CG ASP A 55 -6.791 -1.346 2.364 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.516 -1.262 3.379 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.869 -0.626 1.345 1.00 0.00 O ATOM 0 H ASP A 55 -5.093 -4.714 1.824 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.182 -2.585 0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.066 -3.290 2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.827 -2.051 2.883 1.00 0.00 H new ATOM 695 N VAL A 56 -2.948 -2.467 0.995 1.00 0.00 N ATOM 696 CA VAL A 56 -1.700 -1.835 0.619 1.00 0.00 C ATOM 697 C VAL A 56 -1.614 -1.726 -0.897 1.00 0.00 C ATOM 698 O VAL A 56 -1.006 -0.795 -1.421 1.00 0.00 O ATOM 699 CB VAL A 56 -0.532 -2.648 1.170 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.779 -1.930 0.861 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.685 -2.799 2.680 1.00 0.00 C ATOM 0 H VAL A 56 -2.851 -3.209 1.688 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.656 -0.830 1.039 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.525 -3.634 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.613 -2.511 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.889 -1.822 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.772 -0.944 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.149 -3.380 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.693 -1.813 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.621 -3.312 2.901 1.00 0.00 H new ATOM 711 N VAL A 57 -2.227 -2.681 -1.601 1.00 0.00 N ATOM 712 CA VAL A 57 -2.217 -2.688 -3.050 1.00 0.00 C ATOM 713 C VAL A 57 -3.251 -1.703 -3.576 1.00 0.00 C ATOM 714 O VAL A 57 -2.903 -0.732 -4.245 1.00 0.00 O ATOM 715 CB VAL A 57 -2.509 -4.098 -3.553 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.630 -4.082 -5.074 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.371 -5.029 -3.143 1.00 0.00 C ATOM 0 H VAL A 57 -2.736 -3.459 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.235 -2.383 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.444 -4.452 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.839 -5.090 -5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.442 -3.417 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.696 -3.728 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.578 -6.037 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.436 -4.674 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.284 -5.041 -2.057 1.00 0.00 H new ATOM 727 N ASP A 58 -4.527 -1.954 -3.272 1.00 0.00 N ATOM 728 CA ASP A 58 -5.603 -1.090 -3.715 1.00 0.00 C ATOM 729 C ASP A 58 -5.190 0.367 -3.561 1.00 0.00 C ATOM 730 O ASP A 58 -5.659 1.228 -4.302 1.00 0.00 O ATOM 731 CB ASP A 58 -6.859 -1.386 -2.901 1.00 0.00 C ATOM 732 CG ASP A 58 -7.640 -2.543 -3.507 1.00 0.00 C ATOM 733 OD1 ASP A 58 -7.148 -3.093 -4.516 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.715 -2.856 -2.950 1.00 0.00 O ATOM 0 H ASP A 58 -4.832 -2.754 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.816 -1.277 -4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.583 -1.627 -1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.489 -0.498 -2.862 1.00 0.00 H new ATOM 740 N TRP A 59 -4.310 0.642 -2.596 1.00 0.00 N ATOM 741 CA TRP A 59 -3.842 1.992 -2.355 1.00 0.00 C ATOM 742 C TRP A 59 -2.721 2.333 -3.327 1.00 0.00 C ATOM 743 O TRP A 59 -2.822 3.297 -4.082 1.00 0.00 O ATOM 744 CB TRP A 59 -3.362 2.114 -0.912 1.00 0.00 C ATOM 745 CG TRP A 59 -3.050 3.507 -0.467 1.00 0.00 C ATOM 746 CD1 TRP A 59 -3.961 4.417 -0.058 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.754 4.172 -0.377 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.321 5.592 0.276 1.00 0.00 N ATOM 749 CE2 TRP A 59 -1.956 5.496 0.097 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.427 3.792 -0.649 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -0.903 6.394 0.292 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.637 4.685 -0.457 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.404 5.983 0.013 1.00 0.00 C ATOM 0 H TRP A 59 -3.911 -0.060 -1.972 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.659 2.696 -2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.127 1.701 -0.254 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.470 1.500 -0.788 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.026 4.250 -0.001 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.797 6.428 0.614 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.224 2.795 -1.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.096 7.393 0.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.646 4.368 -0.674 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.230 6.664 0.159 1.00 0.00 H new ATOM 764 N LEU A 60 -1.649 1.538 -3.306 1.00 0.00 N ATOM 765 CA LEU A 60 -0.516 1.757 -4.183 1.00 0.00 C ATOM 766 C LEU A 60 -1.003 2.195 -5.557 1.00 0.00 C ATOM 767 O LEU A 60 -0.375 3.030 -6.204 1.00 0.00 O ATOM 768 CB LEU A 60 0.304 0.474 -4.284 1.00 0.00 C ATOM 769 CG LEU A 60 1.230 0.367 -3.076 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.772 -1.056 -2.975 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.392 1.343 -3.237 1.00 0.00 C ATOM 0 H LEU A 60 -1.550 0.735 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 60 0.116 2.546 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.358 -0.391 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.888 0.474 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 60 0.674 0.610 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.434 -1.133 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.943 -1.754 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.327 -1.299 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.054 1.267 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.948 1.101 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.006 2.360 -3.309 1.00 0.00 H new ATOM 783 N TYR A 61 -2.127 1.628 -6.002 1.00 0.00 N ATOM 784 CA TYR A 61 -2.689 1.962 -7.295 1.00 0.00 C ATOM 785 C TYR A 61 -3.629 3.152 -7.158 1.00 0.00 C ATOM 786 O TYR A 61 -3.683 4.008 -8.039 1.00 0.00 O ATOM 787 CB TYR A 61 -3.429 0.751 -7.855 1.00 0.00 C ATOM 788 CG TYR A 61 -4.145 1.029 -9.155 1.00 0.00 C ATOM 789 CD1 TYR A 61 -3.415 1.168 -10.341 1.00 0.00 C ATOM 790 CD2 TYR A 61 -5.540 1.149 -9.174 1.00 0.00 C ATOM 791 CE1 TYR A 61 -4.079 1.427 -11.546 1.00 0.00 C ATOM 792 CE2 TYR A 61 -6.204 1.407 -10.378 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.474 1.546 -11.565 1.00 0.00 C ATOM 794 OH TYR A 61 -6.121 1.799 -12.739 1.00 0.00 O ATOM 0 H TYR A 61 -2.661 0.935 -5.478 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.889 2.234 -7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.717 -0.060 -8.008 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.153 0.405 -7.118 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.339 1.075 -10.327 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.104 1.042 -8.259 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.515 1.535 -12.461 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.280 1.499 -10.392 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.086 1.850 -12.576 1.00 0.00 H new ATOM 804 N THR A 62 -4.370 3.206 -6.049 1.00 0.00 N ATOM 805 CA THR A 62 -5.300 4.290 -5.807 1.00 0.00 C ATOM 806 C THR A 62 -4.553 5.504 -5.272 1.00 0.00 C ATOM 807 O THR A 62 -5.169 6.480 -4.850 1.00 0.00 O ATOM 808 CB THR A 62 -6.367 3.833 -4.816 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.150 2.818 -5.405 1.00 0.00 O ATOM 810 CG2 THR A 62 -7.259 5.014 -4.447 1.00 0.00 C ATOM 0 H THR A 62 -4.337 2.506 -5.308 1.00 0.00 H new ATOM 0 HA THR A 62 -5.786 4.571 -6.741 1.00 0.00 H new ATOM 0 HB THR A 62 -5.887 3.447 -3.917 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.768 1.942 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.021 4.687 -3.739 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.654 5.799 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.740 5.401 -5.345 1.00 0.00 H new ATOM 818 N HIS A 63 -3.219 5.442 -5.289 1.00 0.00 N ATOM 819 CA HIS A 63 -2.399 6.534 -4.805 1.00 0.00 C ATOM 820 C HIS A 63 -1.381 6.930 -5.865 1.00 0.00 C ATOM 821 O HIS A 63 -1.374 8.068 -6.328 1.00 0.00 O ATOM 822 CB HIS A 63 -1.701 6.111 -3.515 1.00 0.00 C ATOM 823 CG HIS A 63 -1.521 7.252 -2.552 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.414 8.051 -2.445 1.00 0.00 N flip ATOM 825 CD2 HIS A 63 -2.438 7.679 -1.619 1.00 0.00 C flip ATOM 826 CE1 HIS A 63 -0.657 8.983 -1.432 1.00 0.00 C flip ATOM 827 NE2 HIS A 63 -1.889 8.719 -0.965 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.691 4.641 -5.635 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.028 7.399 -4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.281 5.323 -3.034 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.726 5.687 -3.756 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.417 7.258 -1.444 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.012 9.760 -1.092 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.347 9.237 -0.215 1.00 0.00 H new ATOM 835 N VAL A 64 -0.519 5.985 -6.247 1.00 0.00 N ATOM 836 CA VAL A 64 0.498 6.238 -7.248 1.00 0.00 C ATOM 837 C VAL A 64 0.424 5.177 -8.336 1.00 0.00 C ATOM 838 O VAL A 64 -0.428 4.292 -8.287 1.00 0.00 O ATOM 839 CB VAL A 64 1.873 6.240 -6.586 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.853 7.165 -5.373 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.224 4.823 -6.141 1.00 0.00 C ATOM 0 H VAL A 64 -0.512 5.037 -5.871 1.00 0.00 H new ATOM 0 HA VAL A 64 0.329 7.213 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 64 2.619 6.593 -7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.835 7.166 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.602 8.177 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.107 6.814 -4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.206 4.823 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.478 4.470 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.239 4.163 -7.008 1.00 0.00 H new ATOM 851 N GLU A 65 1.321 5.265 -9.322 1.00 0.00 N ATOM 852 CA GLU A 65 1.350 4.312 -10.413 1.00 0.00 C ATOM 853 C GLU A 65 2.790 4.043 -10.829 1.00 0.00 C ATOM 854 O GLU A 65 3.707 4.726 -10.379 1.00 0.00 O ATOM 855 CB GLU A 65 0.542 4.858 -11.586 1.00 0.00 C ATOM 856 CG GLU A 65 1.148 6.179 -12.051 1.00 0.00 C ATOM 857 CD GLU A 65 1.160 6.266 -13.570 1.00 0.00 C ATOM 858 OE1 GLU A 65 0.143 6.744 -14.119 1.00 0.00 O ATOM 859 OE2 GLU A 65 2.185 5.854 -14.155 1.00 0.00 O ATOM 0 H GLU A 65 2.035 5.992 -9.379 1.00 0.00 H new ATOM 0 HA GLU A 65 0.906 3.371 -10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.539 4.139 -12.405 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.496 5.007 -11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.576 7.011 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.165 6.272 -11.669 1.00 0.00 H new ATOM 867 N GLY A 66 2.987 3.043 -11.691 1.00 0.00 N ATOM 868 CA GLY A 66 4.313 2.694 -12.160 1.00 0.00 C ATOM 869 C GLY A 66 4.394 1.201 -12.449 1.00 0.00 C ATOM 870 O GLY A 66 5.297 0.750 -13.150 1.00 0.00 O ATOM 0 H GLY A 66 2.239 2.465 -12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.548 3.259 -13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.055 2.967 -11.410 1.00 0.00 H new ATOM 874 N PHE A 67 3.446 0.434 -11.906 1.00 0.00 N ATOM 875 CA PHE A 67 3.416 -1.000 -12.108 1.00 0.00 C ATOM 876 C PHE A 67 2.647 -1.327 -13.380 1.00 0.00 C ATOM 877 O PHE A 67 1.629 -0.701 -13.671 1.00 0.00 O ATOM 878 CB PHE A 67 2.771 -1.670 -10.898 1.00 0.00 C ATOM 879 CG PHE A 67 3.441 -1.325 -9.590 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.827 -1.470 -9.453 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.676 -0.856 -8.514 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.448 -1.148 -8.240 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.297 -0.534 -7.302 1.00 0.00 C ATOM 884 CZ PHE A 67 4.683 -0.680 -7.165 1.00 0.00 C ATOM 0 H PHE A 67 2.690 0.792 -11.322 1.00 0.00 H new ATOM 0 HA PHE A 67 4.433 -1.377 -12.216 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.722 -1.379 -10.848 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.795 -2.751 -11.035 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.417 -1.830 -10.283 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.607 -0.743 -8.620 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.517 -1.261 -8.134 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.707 -0.173 -6.472 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.162 -0.431 -6.230 1.00 0.00 H new ATOM 894 N LYS A 68 3.135 -2.310 -14.140 1.00 0.00 N ATOM 895 CA LYS A 68 2.491 -2.712 -15.374 1.00 0.00 C ATOM 896 C LYS A 68 0.983 -2.768 -15.177 1.00 0.00 C ATOM 897 O LYS A 68 0.245 -2.003 -15.794 1.00 0.00 O ATOM 898 CB LYS A 68 3.030 -4.072 -15.809 1.00 0.00 C ATOM 899 CG LYS A 68 2.092 -4.683 -16.846 1.00 0.00 C ATOM 900 CD LYS A 68 1.408 -5.912 -16.254 1.00 0.00 C ATOM 901 CE LYS A 68 0.536 -6.572 -17.319 1.00 0.00 C ATOM 902 NZ LYS A 68 1.053 -7.903 -17.673 1.00 0.00 N ATOM 0 H LYS A 68 3.978 -2.839 -13.914 1.00 0.00 H new ATOM 0 HA LYS A 68 2.708 -1.983 -16.155 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.030 -3.962 -16.228 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.117 -4.733 -14.947 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.345 -3.951 -17.152 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.652 -4.960 -17.739 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.155 -6.618 -15.892 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.799 -5.625 -15.397 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.487 -6.661 -16.953 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.503 -5.943 -18.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.443 -8.331 -18.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.020 -7.812 -18.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.062 -8.508 -16.827 1.00 0.00 H new ATOM 916 N GLU A 69 0.525 -3.677 -14.314 1.00 0.00 N ATOM 917 CA GLU A 69 -0.891 -3.825 -14.042 1.00 0.00 C ATOM 918 C GLU A 69 -1.095 -4.374 -12.637 1.00 0.00 C ATOM 919 O GLU A 69 -0.161 -4.407 -11.838 1.00 0.00 O ATOM 920 CB GLU A 69 -1.513 -4.754 -15.081 1.00 0.00 C ATOM 921 CG GLU A 69 -2.887 -4.223 -15.479 1.00 0.00 C ATOM 922 CD GLU A 69 -2.852 -3.619 -16.876 1.00 0.00 C ATOM 923 OE1 GLU A 69 -3.121 -4.380 -17.830 1.00 0.00 O ATOM 924 OE2 GLU A 69 -2.557 -2.408 -16.963 1.00 0.00 O ATOM 0 H GLU A 69 1.123 -4.320 -13.794 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.379 -2.852 -14.103 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.869 -4.820 -15.958 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.604 -5.762 -14.676 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.617 -5.032 -15.446 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.212 -3.470 -14.761 1.00 0.00 H new ATOM 932 N ARG A 70 -2.322 -4.805 -12.336 1.00 0.00 N ATOM 933 CA ARG A 70 -2.644 -5.349 -11.032 1.00 0.00 C ATOM 934 C ARG A 70 -1.612 -6.397 -10.642 1.00 0.00 C ATOM 935 O ARG A 70 -1.329 -6.582 -9.460 1.00 0.00 O ATOM 936 CB ARG A 70 -4.044 -5.956 -11.067 1.00 0.00 C ATOM 937 CG ARG A 70 -4.137 -6.955 -12.216 1.00 0.00 C ATOM 938 CD ARG A 70 -5.470 -6.779 -12.937 1.00 0.00 C ATOM 939 NE ARG A 70 -6.077 -8.075 -13.243 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.060 -8.222 -14.142 1.00 0.00 C ATOM 941 NH1 ARG A 70 -7.527 -7.155 -14.805 1.00 0.00 N ATOM 942 NH2 ARG A 70 -7.576 -9.435 -14.378 1.00 0.00 N ATOM 0 H ARG A 70 -3.107 -4.784 -12.987 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.625 -4.554 -10.287 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.260 -6.452 -10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.789 -5.171 -11.193 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.312 -6.803 -12.912 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.049 -7.973 -11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.148 -6.193 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.317 -6.218 -13.859 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.737 -8.902 -12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.134 -6.231 -14.625 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.275 -7.267 -15.489 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.221 -10.247 -13.873 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.324 -9.547 -15.062 1.00 0.00 H new ATOM 956 N ARG A 71 -1.048 -7.083 -11.639 1.00 0.00 N ATOM 957 CA ARG A 71 -0.053 -8.107 -11.395 1.00 0.00 C ATOM 958 C ARG A 71 1.178 -7.487 -10.749 1.00 0.00 C ATOM 959 O ARG A 71 1.441 -7.708 -9.569 1.00 0.00 O ATOM 960 CB ARG A 71 0.312 -8.784 -12.713 1.00 0.00 C ATOM 961 CG ARG A 71 -0.962 -9.224 -13.429 1.00 0.00 C ATOM 962 CD ARG A 71 -1.186 -10.716 -13.196 1.00 0.00 C ATOM 963 NE ARG A 71 -1.246 -11.021 -11.766 1.00 0.00 N ATOM 964 CZ ARG A 71 -0.194 -11.484 -11.078 1.00 0.00 C ATOM 965 NH1 ARG A 71 0.976 -11.686 -11.698 1.00 0.00 N ATOM 966 NH2 ARG A 71 -0.312 -11.747 -9.769 1.00 0.00 N ATOM 0 H ARG A 71 -1.271 -6.940 -12.624 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.457 -8.857 -10.715 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.877 -8.097 -13.343 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.953 -9.646 -12.526 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.815 -8.655 -13.059 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.881 -9.020 -14.497 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.113 -11.027 -13.677 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.380 -11.285 -13.659 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.126 -10.875 -11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.066 -11.487 -12.694 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.777 -12.039 -11.174 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.203 -11.595 -9.296 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.489 -12.100 -9.245 1.00 0.00 H new ATOM 980 N GLU A 72 1.934 -6.706 -11.526 1.00 0.00 N ATOM 981 CA GLU A 72 3.129 -6.060 -11.023 1.00 0.00 C ATOM 982 C GLU A 72 2.849 -5.436 -9.663 1.00 0.00 C ATOM 983 O GLU A 72 3.684 -5.503 -8.763 1.00 0.00 O ATOM 984 CB GLU A 72 3.589 -4.999 -12.019 1.00 0.00 C ATOM 985 CG GLU A 72 4.401 -5.661 -13.129 1.00 0.00 C ATOM 986 CD GLU A 72 5.240 -4.634 -13.875 1.00 0.00 C ATOM 987 OE1 GLU A 72 5.137 -3.443 -13.509 1.00 0.00 O ATOM 988 OE2 GLU A 72 5.968 -5.058 -14.798 1.00 0.00 O ATOM 0 H GLU A 72 1.731 -6.511 -12.506 1.00 0.00 H new ATOM 0 HA GLU A 72 3.922 -6.799 -10.904 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.727 -4.484 -12.442 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.192 -4.246 -11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.050 -6.426 -12.703 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.730 -6.163 -13.826 1.00 0.00 H new ATOM 996 N ALA A 73 1.669 -4.830 -9.514 1.00 0.00 N ATOM 997 CA ALA A 73 1.286 -4.199 -8.268 1.00 0.00 C ATOM 998 C ALA A 73 1.389 -5.202 -7.129 1.00 0.00 C ATOM 999 O ALA A 73 2.063 -4.947 -6.133 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.138 -3.662 -8.388 1.00 0.00 C ATOM 0 H ALA A 73 0.965 -4.768 -10.250 1.00 0.00 H new ATOM 0 HA ALA A 73 1.958 -3.367 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.428 -3.187 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.184 -2.931 -9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.820 -4.484 -8.604 1.00 0.00 H new ATOM 1006 N ARG A 74 0.719 -6.347 -7.277 1.00 0.00 N ATOM 1007 CA ARG A 74 0.737 -7.381 -6.262 1.00 0.00 C ATOM 1008 C ARG A 74 2.169 -7.837 -6.016 1.00 0.00 C ATOM 1009 O ARG A 74 2.513 -8.238 -4.906 1.00 0.00 O ATOM 1010 CB ARG A 74 -0.132 -8.551 -6.713 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.151 -9.620 -5.624 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.280 -10.609 -5.902 1.00 0.00 C ATOM 1013 NE ARG A 74 -0.819 -11.989 -5.748 1.00 0.00 N ATOM 1014 CZ ARG A 74 -1.646 -13.042 -5.805 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -2.957 -12.853 -6.012 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -1.164 -14.283 -5.655 1.00 0.00 N ATOM 0 H ARG A 74 0.157 -6.574 -8.097 1.00 0.00 H new ATOM 0 HA ARG A 74 0.336 -6.986 -5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.146 -8.207 -6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.256 -8.969 -7.642 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.805 -10.142 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.291 -9.157 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.109 -10.421 -5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.659 -10.459 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 74 0.175 -12.157 -5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.324 -11.908 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.587 -13.654 -6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.167 -14.427 -5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.794 -15.084 -5.699 1.00 0.00 H new ATOM 1030 N LYS A 75 3.004 -7.775 -7.056 1.00 0.00 N ATOM 1031 CA LYS A 75 4.391 -8.180 -6.945 1.00 0.00 C ATOM 1032 C LYS A 75 5.131 -7.245 -6.000 1.00 0.00 C ATOM 1033 O LYS A 75 5.958 -7.688 -5.206 1.00 0.00 O ATOM 1034 CB LYS A 75 5.034 -8.170 -8.329 1.00 0.00 C ATOM 1035 CG LYS A 75 5.008 -9.579 -8.913 1.00 0.00 C ATOM 1036 CD LYS A 75 6.236 -10.351 -8.438 1.00 0.00 C ATOM 1037 CE LYS A 75 7.063 -10.783 -9.645 1.00 0.00 C ATOM 1038 NZ LYS A 75 6.803 -12.190 -9.987 1.00 0.00 N ATOM 0 H LYS A 75 2.735 -7.446 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 75 4.446 -9.190 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.499 -7.483 -8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.061 -7.812 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.099 -10.095 -8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.994 -9.532 -10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.837 -9.728 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.930 -11.224 -7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.826 -10.148 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.123 -10.647 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.378 -12.459 -10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.052 -12.795 -9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.795 -12.312 -10.213 1.00 0.00 H new ATOM 1052 N TYR A 76 4.831 -5.947 -6.086 1.00 0.00 N ATOM 1053 CA TYR A 76 5.469 -4.959 -5.240 1.00 0.00 C ATOM 1054 C TYR A 76 5.049 -5.169 -3.792 1.00 0.00 C ATOM 1055 O TYR A 76 5.895 -5.300 -2.911 1.00 0.00 O ATOM 1056 CB TYR A 76 5.087 -3.560 -5.717 1.00 0.00 C ATOM 1057 CG TYR A 76 5.696 -2.454 -4.889 1.00 0.00 C ATOM 1058 CD1 TYR A 76 5.040 -1.998 -3.739 1.00 0.00 C ATOM 1059 CD2 TYR A 76 6.916 -1.884 -5.271 1.00 0.00 C ATOM 1060 CE1 TYR A 76 5.604 -0.972 -2.972 1.00 0.00 C ATOM 1061 CE2 TYR A 76 7.480 -0.858 -4.504 1.00 0.00 C ATOM 1062 CZ TYR A 76 6.824 -0.402 -3.354 1.00 0.00 C ATOM 1063 OH TYR A 76 7.374 0.598 -2.607 1.00 0.00 O ATOM 0 H TYR A 76 4.147 -5.564 -6.738 1.00 0.00 H new ATOM 0 HA TYR A 76 6.552 -5.067 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.399 -3.441 -6.754 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.002 -3.462 -5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.099 -2.438 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 76 7.422 -2.236 -6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.098 -0.620 -2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.421 -0.418 -4.799 1.00 0.00 H new ATOM 0 HH TYR A 76 8.303 0.741 -2.885 1.00 0.00 H new ATOM 1073 N ALA A 77 3.736 -5.200 -3.549 1.00 0.00 N ATOM 1074 CA ALA A 77 3.211 -5.393 -2.212 1.00 0.00 C ATOM 1075 C ALA A 77 3.873 -6.603 -1.568 1.00 0.00 C ATOM 1076 O ALA A 77 4.346 -6.525 -0.436 1.00 0.00 O ATOM 1077 CB ALA A 77 1.698 -5.577 -2.283 1.00 0.00 C ATOM 0 H ALA A 77 3.022 -5.093 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 77 3.429 -4.517 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.302 -5.722 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.244 -4.691 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.466 -6.449 -2.894 1.00 0.00 H new ATOM 1083 N SER A 78 3.905 -7.724 -2.292 1.00 0.00 N ATOM 1084 CA SER A 78 4.508 -8.941 -1.788 1.00 0.00 C ATOM 1085 C SER A 78 5.921 -8.655 -1.302 1.00 0.00 C ATOM 1086 O SER A 78 6.318 -9.114 -0.233 1.00 0.00 O ATOM 1087 CB SER A 78 4.518 -9.997 -2.890 1.00 0.00 C ATOM 1088 OG SER A 78 3.245 -10.059 -3.493 1.00 0.00 O ATOM 0 H SER A 78 3.517 -7.805 -3.232 1.00 0.00 H new ATOM 0 HA SER A 78 3.926 -9.318 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.274 -9.752 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.783 -10.969 -2.474 1.00 0.00 H new ATOM 0 HG SER A 78 3.214 -9.445 -4.256 1.00 0.00 H new ATOM 1094 N SER A 79 6.682 -7.892 -2.090 1.00 0.00 N ATOM 1095 CA SER A 79 8.044 -7.547 -1.735 1.00 0.00 C ATOM 1096 C SER A 79 8.044 -6.615 -0.532 1.00 0.00 C ATOM 1097 O SER A 79 9.019 -6.560 0.214 1.00 0.00 O ATOM 1098 CB SER A 79 8.729 -6.890 -2.929 1.00 0.00 C ATOM 1099 OG SER A 79 9.817 -7.685 -3.343 1.00 0.00 O ATOM 0 H SER A 79 6.369 -7.504 -2.980 1.00 0.00 H new ATOM 0 HA SER A 79 8.594 -8.450 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.020 -6.770 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.076 -5.892 -2.659 1.00 0.00 H new ATOM 0 HG SER A 79 10.256 -7.264 -4.111 1.00 0.00 H new ATOM 1105 N MET A 80 6.946 -5.879 -0.344 1.00 0.00 N ATOM 1106 CA MET A 80 6.828 -4.954 0.765 1.00 0.00 C ATOM 1107 C MET A 80 6.640 -5.725 2.064 1.00 0.00 C ATOM 1108 O MET A 80 7.129 -5.308 3.112 1.00 0.00 O ATOM 1109 CB MET A 80 5.651 -4.015 0.520 1.00 0.00 C ATOM 1110 CG MET A 80 6.165 -2.589 0.348 1.00 0.00 C ATOM 1111 SD MET A 80 4.864 -1.330 0.374 1.00 0.00 S ATOM 1112 CE MET A 80 4.067 -1.770 1.938 1.00 0.00 C ATOM 0 H MET A 80 6.128 -5.912 -0.953 1.00 0.00 H new ATOM 0 HA MET A 80 7.739 -4.361 0.846 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.104 -4.325 -0.370 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.953 -4.063 1.356 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.881 -2.374 1.141 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.705 -2.520 -0.596 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.546 -0.900 2.338 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.352 -2.575 1.768 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.822 -2.101 2.651 1.00 0.00 H new ATOM 1122 N LEU A 81 5.929 -6.853 1.993 1.00 0.00 N ATOM 1123 CA LEU A 81 5.681 -7.675 3.160 1.00 0.00 C ATOM 1124 C LEU A 81 6.971 -8.353 3.598 1.00 0.00 C ATOM 1125 O LEU A 81 7.392 -8.211 4.744 1.00 0.00 O ATOM 1126 CB LEU A 81 4.610 -8.712 2.832 1.00 0.00 C ATOM 1127 CG LEU A 81 4.040 -9.281 4.128 1.00 0.00 C ATOM 1128 CD1 LEU A 81 2.525 -9.099 4.142 1.00 0.00 C ATOM 1129 CD2 LEU A 81 4.375 -10.768 4.221 1.00 0.00 C ATOM 0 H LEU A 81 5.517 -7.212 1.132 1.00 0.00 H new ATOM 0 HA LEU A 81 5.326 -7.051 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.815 -8.256 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.036 -9.512 2.227 1.00 0.00 H new ATOM 0 HG LEU A 81 4.476 -8.756 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.118 -9.506 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.285 -8.038 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.088 -9.624 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.968 -11.175 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.939 -11.293 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.457 -10.898 4.212 1.00 0.00 H new ATOM 1141 N LYS A 82 7.600 -9.093 2.682 1.00 0.00 N ATOM 1142 CA LYS A 82 8.837 -9.787 2.979 1.00 0.00 C ATOM 1143 C LYS A 82 9.839 -8.820 3.594 1.00 0.00 C ATOM 1144 O LYS A 82 10.631 -9.205 4.451 1.00 0.00 O ATOM 1145 CB LYS A 82 9.395 -10.401 1.698 1.00 0.00 C ATOM 1146 CG LYS A 82 9.051 -11.887 1.655 1.00 0.00 C ATOM 1147 CD LYS A 82 7.551 -12.069 1.867 1.00 0.00 C ATOM 1148 CE LYS A 82 7.307 -13.266 2.782 1.00 0.00 C ATOM 1149 NZ LYS A 82 7.425 -14.530 2.039 1.00 0.00 N ATOM 0 H LYS A 82 7.265 -9.222 1.727 1.00 0.00 H new ATOM 0 HA LYS A 82 8.646 -10.585 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.978 -9.895 0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.476 -10.266 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.348 -12.312 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.605 -12.422 2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.123 -11.168 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.054 -12.223 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.025 -13.254 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.314 -13.192 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.390 -15.328 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.640 -14.609 1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.329 -14.547 1.525 1.00 0.00 H new ATOM 1163 N HIS A 83 9.803 -7.560 3.154 1.00 0.00 N ATOM 1164 CA HIS A 83 10.709 -6.549 3.663 1.00 0.00 C ATOM 1165 C HIS A 83 10.546 -6.417 5.171 1.00 0.00 C ATOM 1166 O HIS A 83 11.497 -6.085 5.874 1.00 0.00 O ATOM 1167 CB HIS A 83 10.426 -5.219 2.971 1.00 0.00 C ATOM 1168 CG HIS A 83 11.643 -4.645 2.300 1.00 0.00 C ATOM 1169 ND1 HIS A 83 11.652 -3.865 1.166 1.00 0.00 N ATOM 1170 CD2 HIS A 83 12.940 -4.804 2.707 1.00 0.00 C ATOM 1171 CE1 HIS A 83 12.935 -3.562 0.899 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.758 -4.111 1.809 1.00 0.00 N ATOM 0 H HIS A 83 9.152 -7.223 2.445 1.00 0.00 H new ATOM 0 HA HIS A 83 11.738 -6.842 3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.639 -5.360 2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.049 -4.505 3.704 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.272 -5.365 3.568 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.260 -2.958 0.065 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.775 -4.037 1.839 1.00 0.00 H new ATOM 1180 N GLY A 84 9.334 -6.679 5.668 1.00 0.00 N ATOM 1181 CA GLY A 84 9.058 -6.587 7.088 1.00 0.00 C ATOM 1182 C GLY A 84 8.140 -5.407 7.371 1.00 0.00 C ATOM 1183 O GLY A 84 7.786 -5.154 8.521 1.00 0.00 O ATOM 0 H GLY A 84 8.533 -6.956 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.594 -7.510 7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.991 -6.472 7.640 1.00 0.00 H new ATOM 1187 N PHE A 85 7.755 -4.682 6.318 1.00 0.00 N ATOM 1188 CA PHE A 85 6.882 -3.534 6.460 1.00 0.00 C ATOM 1189 C PHE A 85 5.445 -3.999 6.654 1.00 0.00 C ATOM 1190 O PHE A 85 4.528 -3.182 6.704 1.00 0.00 O ATOM 1191 CB PHE A 85 7.003 -2.649 5.223 1.00 0.00 C ATOM 1192 CG PHE A 85 8.349 -1.977 5.092 1.00 0.00 C ATOM 1193 CD1 PHE A 85 8.803 -1.117 6.098 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.141 -2.212 3.962 1.00 0.00 C ATOM 1195 CE1 PHE A 85 10.049 -0.492 5.976 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.388 -1.588 3.839 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.842 -0.728 4.846 1.00 0.00 C ATOM 0 H PHE A 85 8.040 -4.878 5.358 1.00 0.00 H new ATOM 0 HA PHE A 85 7.175 -2.954 7.335 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.819 -3.253 4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.226 -1.885 5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.191 -0.935 6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.790 -2.875 3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.399 0.172 6.753 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.000 -1.770 2.968 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.804 -0.246 4.751 1.00 0.00 H new ATOM 1207 N LEU A 86 5.251 -5.315 6.763 1.00 0.00 N ATOM 1208 CA LEU A 86 3.930 -5.881 6.950 1.00 0.00 C ATOM 1209 C LEU A 86 4.036 -7.205 7.693 1.00 0.00 C ATOM 1210 O LEU A 86 4.652 -8.148 7.202 1.00 0.00 O ATOM 1211 CB LEU A 86 3.263 -6.076 5.591 1.00 0.00 C ATOM 1212 CG LEU A 86 2.178 -5.021 5.402 1.00 0.00 C ATOM 1213 CD1 LEU A 86 1.643 -5.091 3.974 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.039 -5.280 6.384 1.00 0.00 C ATOM 0 H LEU A 86 6.001 -6.005 6.724 1.00 0.00 H new ATOM 0 HA LEU A 86 3.320 -5.201 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.004 -5.998 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.830 -7.074 5.526 1.00 0.00 H new ATOM 0 HG LEU A 86 2.598 -4.032 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.867 -4.337 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.456 -4.906 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.223 -6.080 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.264 -4.526 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.619 -6.269 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.420 -5.230 7.404 1.00 0.00 H new ATOM 1226 N ARG A 87 3.431 -7.273 8.882 1.00 0.00 N ATOM 1227 CA ARG A 87 3.460 -8.478 9.686 1.00 0.00 C ATOM 1228 C ARG A 87 2.039 -8.918 10.008 1.00 0.00 C ATOM 1229 O ARG A 87 1.159 -8.083 10.208 1.00 0.00 O ATOM 1230 CB ARG A 87 4.247 -8.214 10.967 1.00 0.00 C ATOM 1231 CG ARG A 87 5.721 -8.534 10.733 1.00 0.00 C ATOM 1232 CD ARG A 87 6.586 -7.497 11.444 1.00 0.00 C ATOM 1233 NE ARG A 87 7.997 -7.881 11.415 1.00 0.00 N ATOM 1234 CZ ARG A 87 8.541 -8.713 12.314 1.00 0.00 C ATOM 1235 NH1 ARG A 87 7.785 -9.231 13.291 1.00 0.00 N ATOM 1236 NH2 ARG A 87 9.842 -9.026 12.236 1.00 0.00 N ATOM 0 H ARG A 87 2.916 -6.500 9.302 1.00 0.00 H new ATOM 0 HA ARG A 87 3.950 -9.278 9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.133 -7.173 11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.855 -8.826 11.780 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.951 -9.532 11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.939 -8.534 9.665 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.460 -6.525 10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.256 -7.390 12.477 1.00 0.00 H new ATOM 0 HE ARG A 87 8.592 -7.500 10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.795 -8.992 13.351 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.199 -9.864 13.975 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.418 -8.631 11.493 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.256 -9.659 12.920 1.00 0.00 H new ATOM 1250 N HIS A 88 1.815 -10.233 10.058 1.00 0.00 N ATOM 1251 CA HIS A 88 0.502 -10.771 10.353 1.00 0.00 C ATOM 1252 C HIS A 88 0.527 -11.498 11.691 1.00 0.00 C ATOM 1253 O HIS A 88 0.684 -10.872 12.737 1.00 0.00 O ATOM 1254 CB HIS A 88 0.077 -11.717 9.233 1.00 0.00 C ATOM 1255 CG HIS A 88 -1.274 -12.331 9.473 1.00 0.00 C ATOM 1256 ND1 HIS A 88 -2.389 -11.679 9.949 1.00 0.00 N ATOM 1257 CD2 HIS A 88 -1.616 -13.639 9.258 1.00 0.00 C ATOM 1258 CE1 HIS A 88 -3.383 -12.583 10.017 1.00 0.00 C ATOM 1259 NE2 HIS A 88 -2.961 -13.792 9.607 1.00 0.00 N ATOM 0 H HIS A 88 2.533 -10.939 9.896 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.220 -9.957 10.419 1.00 0.00 H new ATOM 0 HB2 HIS A 88 0.061 -11.172 8.289 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.819 -12.509 9.131 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -2.450 -10.693 10.203 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.963 -14.414 8.885 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.385 -12.367 10.356 1.00 0.00 H new ATOM 1267 N THR A 89 0.370 -12.823 11.656 1.00 0.00 N ATOM 1268 CA THR A 89 0.377 -13.622 12.864 1.00 0.00 C ATOM 1269 C THR A 89 0.799 -15.048 12.540 1.00 0.00 C ATOM 1270 O THR A 89 0.501 -15.973 13.294 1.00 0.00 O ATOM 1271 CB THR A 89 -1.012 -13.600 13.495 1.00 0.00 C ATOM 1272 OG1 THR A 89 -1.957 -14.089 12.570 1.00 0.00 O ATOM 1273 CG2 THR A 89 -1.372 -12.168 13.882 1.00 0.00 C ATOM 0 H THR A 89 0.237 -13.358 10.798 1.00 0.00 H new ATOM 0 HA THR A 89 1.092 -13.206 13.574 1.00 0.00 H new ATOM 0 HB THR A 89 -1.017 -14.229 14.385 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.849 -14.076 12.976 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.364 -12.151 14.333 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.642 -11.790 14.598 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.367 -11.539 12.992 1.00 0.00 H new ATOM 1281 N VAL A 90 1.495 -15.225 11.415 1.00 0.00 N ATOM 1282 CA VAL A 90 1.954 -16.534 10.996 1.00 0.00 C ATOM 1283 C VAL A 90 3.323 -16.816 11.599 1.00 0.00 C ATOM 1284 O VAL A 90 3.825 -16.029 12.398 1.00 0.00 O ATOM 1285 CB VAL A 90 2.012 -16.588 9.472 1.00 0.00 C ATOM 1286 CG1 VAL A 90 0.896 -15.726 8.889 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.363 -16.063 8.996 1.00 0.00 C ATOM 0 H VAL A 90 1.750 -14.468 10.780 1.00 0.00 H new ATOM 0 HA VAL A 90 1.260 -17.298 11.347 1.00 0.00 H new ATOM 0 HB VAL A 90 1.885 -17.618 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.937 -15.765 7.800 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.069 -16.102 9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.021 -14.695 9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.405 -16.101 7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.490 -15.033 9.328 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.160 -16.679 9.412 1.00 0.00 H new ATOM 1297 N ASN A 91 3.926 -17.943 11.214 1.00 0.00 N ATOM 1298 CA ASN A 91 5.231 -18.320 11.717 1.00 0.00 C ATOM 1299 C ASN A 91 6.199 -17.154 11.574 1.00 0.00 C ATOM 1300 O ASN A 91 6.977 -16.874 12.484 1.00 0.00 O ATOM 1301 CB ASN A 91 5.737 -19.539 10.952 1.00 0.00 C ATOM 1302 CG ASN A 91 6.189 -20.633 11.909 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.626 -20.784 12.991 1.00 0.00 O ATOM 1304 ND2 ASN A 91 7.207 -21.398 11.508 1.00 0.00 N ATOM 0 H ASN A 91 3.522 -18.607 10.553 1.00 0.00 H new ATOM 0 HA ASN A 91 5.156 -18.575 12.774 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.947 -19.920 10.305 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.566 -19.250 10.307 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.550 -22.147 12.109 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.642 -21.233 10.600 1.00 0.00 H new ATOM 1311 N LYS A 92 6.150 -16.472 10.427 1.00 0.00 N ATOM 1312 CA LYS A 92 7.020 -15.342 10.172 1.00 0.00 C ATOM 1313 C LYS A 92 6.223 -14.204 9.552 1.00 0.00 C ATOM 1314 O LYS A 92 6.066 -13.148 10.162 1.00 0.00 O ATOM 1315 CB LYS A 92 8.155 -15.773 9.248 1.00 0.00 C ATOM 1316 CG LYS A 92 7.581 -16.552 8.068 1.00 0.00 C ATOM 1317 CD LYS A 92 8.577 -17.623 7.631 1.00 0.00 C ATOM 1318 CE LYS A 92 8.116 -18.985 8.140 1.00 0.00 C ATOM 1319 NZ LYS A 92 8.707 -20.073 7.345 1.00 0.00 N ATOM 0 H LYS A 92 5.511 -16.691 9.663 1.00 0.00 H new ATOM 0 HA LYS A 92 7.447 -14.989 11.111 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.699 -14.899 8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.868 -16.391 9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.635 -17.014 8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.372 -15.875 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.658 -17.638 6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.568 -17.394 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.398 -19.100 9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.029 -19.045 8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.378 -20.989 7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.418 -19.973 6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.744 -20.027 7.410 1.00 0.00 H new ATOM 1333 N ILE A 93 5.718 -14.421 8.335 1.00 0.00 N ATOM 1334 CA ILE A 93 4.939 -13.417 7.638 1.00 0.00 C ATOM 1335 C ILE A 93 4.293 -14.031 6.405 1.00 0.00 C ATOM 1336 O ILE A 93 3.070 -14.052 6.288 1.00 0.00 O ATOM 1337 CB ILE A 93 5.844 -12.250 7.252 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.240 -12.773 6.929 1.00 0.00 C ATOM 1339 CG2 ILE A 93 5.926 -11.264 8.414 1.00 0.00 C ATOM 1340 CD1 ILE A 93 7.710 -12.184 5.602 1.00 0.00 C ATOM 0 H ILE A 93 5.840 -15.291 7.817 1.00 0.00 H new ATOM 0 HA ILE A 93 4.149 -13.045 8.290 1.00 0.00 H new ATOM 0 HB ILE A 93 5.434 -11.747 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.934 -12.503 7.725 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.228 -13.861 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.572 -10.430 8.139 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.929 -10.889 8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.336 -11.767 9.290 1.00 0.00 H new ATOM 0 HD11 ILE A 93 8.708 -12.558 5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.021 -12.476 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 93 7.738 -11.097 5.676 1.00 0.00 H new ATOM 1352 N THR A 94 5.118 -14.533 5.483 1.00 0.00 N ATOM 1353 CA THR A 94 4.619 -15.144 4.267 1.00 0.00 C ATOM 1354 C THR A 94 3.445 -14.341 3.727 1.00 0.00 C ATOM 1355 O THR A 94 2.308 -14.536 4.150 1.00 0.00 O ATOM 1356 CB THR A 94 4.201 -16.583 4.557 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.075 -16.912 3.775 1.00 0.00 O ATOM 1358 CG2 THR A 94 3.852 -16.724 6.036 1.00 0.00 C ATOM 0 H THR A 94 6.135 -14.524 5.564 1.00 0.00 H new ATOM 0 HA THR A 94 5.405 -15.151 3.512 1.00 0.00 H new ATOM 0 HB THR A 94 5.023 -17.256 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.343 -16.293 3.979 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.553 -17.752 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.722 -16.470 6.641 1.00 0.00 H new ATOM 0 HG23 THR A 94 3.030 -16.051 6.282 1.00 0.00 H new ATOM 1366 N PHE A 95 3.723 -13.434 2.787 1.00 0.00 N ATOM 1367 CA PHE A 95 2.691 -12.608 2.195 1.00 0.00 C ATOM 1368 C PHE A 95 1.486 -13.466 1.835 1.00 0.00 C ATOM 1369 O PHE A 95 1.578 -14.691 1.813 1.00 0.00 O ATOM 1370 CB PHE A 95 3.247 -11.911 0.956 1.00 0.00 C ATOM 1371 CG PHE A 95 2.398 -10.755 0.482 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.341 -9.574 1.232 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.669 -10.865 -0.708 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.556 -8.503 0.791 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.883 -9.793 -1.149 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.827 -8.612 -0.399 1.00 0.00 C ATOM 0 H PHE A 95 4.660 -13.260 2.425 1.00 0.00 H new ATOM 0 HA PHE A 95 2.372 -11.850 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.252 -11.548 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.338 -12.639 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.903 -9.490 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.713 -11.776 -1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.513 -7.592 1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.320 -9.877 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.221 -7.785 -0.739 1.00 0.00 H new ATOM 1386 N SER A 96 0.353 -12.818 1.554 1.00 0.00 N ATOM 1387 CA SER A 96 -0.862 -13.524 1.197 1.00 0.00 C ATOM 1388 C SER A 96 -1.757 -12.622 0.360 1.00 0.00 C ATOM 1389 O SER A 96 -2.028 -12.918 -0.802 1.00 0.00 O ATOM 1390 CB SER A 96 -1.581 -13.971 2.467 1.00 0.00 C ATOM 1391 OG SER A 96 -0.833 -14.987 3.097 1.00 0.00 O ATOM 0 H SER A 96 0.260 -11.802 1.569 1.00 0.00 H new ATOM 0 HA SER A 96 -0.614 -14.405 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.708 -13.125 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.579 -14.337 2.224 1.00 0.00 H new ATOM 0 HG SER A 96 0.023 -15.098 2.633 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.215 -11.517 0.952 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.074 -10.580 0.256 1.00 0.00 C ATOM 1399 C GLU A 97 -4.477 -11.155 0.130 1.00 0.00 C ATOM 1400 O GLU A 97 -4.946 -11.419 -0.975 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.487 -10.280 -1.121 1.00 0.00 C ATOM 1402 CG GLU A 97 -2.888 -8.872 -1.549 1.00 0.00 C ATOM 1403 CD GLU A 97 -3.743 -8.909 -2.807 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -4.305 -9.992 -3.079 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -3.820 -7.855 -3.473 1.00 0.00 O ATOM 0 H GLU A 97 -2.000 -11.256 1.914 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.136 -9.651 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.401 -10.367 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.846 -11.009 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.439 -8.386 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.995 -8.274 -1.729 1.00 0.00 H new ATOM 1413 N GLN A 98 -5.148 -11.349 1.268 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.492 -11.892 1.279 1.00 0.00 C ATOM 1415 C GLN A 98 -7.136 -11.646 2.636 1.00 0.00 C ATOM 1416 O GLN A 98 -8.309 -11.286 2.713 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.438 -13.385 0.968 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.152 -13.656 -0.353 1.00 0.00 C ATOM 1419 CD GLN A 98 -8.553 -14.201 -0.111 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -8.796 -15.393 -0.286 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -9.475 -13.323 0.292 1.00 0.00 N ATOM 0 H GLN A 98 -4.774 -11.135 2.192 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.096 -11.397 0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.402 -13.718 0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.909 -13.952 1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.211 -12.736 -0.935 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.576 -14.370 -0.942 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -9.223 -12.343 0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.431 -13.632 0.469 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.365 -11.843 3.708 1.00 0.00 N ATOM 1431 CA CYS A 99 -6.857 -11.643 5.056 1.00 0.00 C ATOM 1432 C CYS A 99 -6.598 -10.206 5.486 1.00 0.00 C ATOM 1433 O CYS A 99 -6.654 -9.292 4.665 1.00 0.00 O ATOM 1434 CB CYS A 99 -6.167 -12.623 6.000 1.00 0.00 C ATOM 1435 SG CYS A 99 -6.252 -14.281 5.279 1.00 0.00 S ATOM 0 H CYS A 99 -5.391 -12.143 3.658 1.00 0.00 H new ATOM 0 HA CYS A 99 -7.931 -11.826 5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.128 -12.331 6.155 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -6.650 -12.611 6.977 1.00 0.00 H new ATOM 0 HG CYS A 99 -5.666 -15.129 6.071 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.315 -10.005 6.775 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.052 -8.681 7.301 1.00 0.00 C ATOM 1443 C TYR A 100 -4.808 -8.712 8.178 1.00 0.00 C ATOM 1444 O TYR A 100 -4.774 -9.413 9.187 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.262 -8.202 8.097 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.773 -9.220 9.089 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.601 -10.264 8.658 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.418 -9.120 10.439 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.074 -11.207 9.578 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -7.892 -10.064 11.359 1.00 0.00 C ATOM 1451 CZ TYR A 100 -8.720 -11.107 10.928 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.181 -12.026 11.825 1.00 0.00 O ATOM 0 H TYR A 100 -6.264 -10.751 7.469 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.876 -7.987 6.479 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -6.998 -7.288 8.630 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.064 -7.947 7.405 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.875 -10.342 7.616 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.779 -8.315 10.771 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.712 -12.012 9.246 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.619 -9.987 12.401 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.840 -11.811 12.718 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.783 -7.950 7.791 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.545 -7.896 8.542 1.00 0.00 C ATOM 1464 C TYR A 101 -2.348 -6.499 9.114 1.00 0.00 C ATOM 1465 O TYR A 101 -3.235 -5.654 9.012 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.382 -8.276 7.630 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.362 -9.739 7.256 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.339 -10.604 7.762 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -0.366 -10.229 6.403 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -2.320 -11.960 7.415 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -0.347 -11.585 6.057 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.324 -12.451 6.563 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.305 -13.773 6.225 1.00 0.00 O ATOM 0 H TYR A 101 -3.795 -7.363 6.957 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.587 -8.603 9.371 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.433 -7.677 6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.445 -8.023 8.125 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.107 -10.225 8.420 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.387 -9.561 6.012 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.074 -12.628 7.805 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.422 -11.964 5.399 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.549 -13.947 5.626 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.182 -6.259 9.718 1.00 0.00 N ATOM 1484 CA VAL A 102 -0.875 -4.969 10.302 1.00 0.00 C ATOM 1485 C VAL A 102 0.540 -4.556 9.923 1.00 0.00 C ATOM 1486 O VAL A 102 1.462 -5.367 9.979 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.027 -5.049 11.818 1.00 0.00 C ATOM 1488 CG1 VAL A 102 0.185 -4.406 12.486 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.293 -4.310 12.242 1.00 0.00 C ATOM 0 H VAL A 102 -0.438 -6.950 9.811 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.566 -4.218 9.920 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.097 -6.094 12.121 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.076 -4.463 13.569 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.090 -4.934 12.184 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.256 -3.361 12.183 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.402 -4.367 13.325 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.223 -3.265 11.939 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.159 -4.769 11.766 1.00 0.00 H new ATOM 1499 N PHE A 103 0.711 -3.290 9.536 1.00 0.00 N ATOM 1500 CA PHE A 103 2.011 -2.779 9.151 1.00 0.00 C ATOM 1501 C PHE A 103 3.069 -3.269 10.130 1.00 0.00 C ATOM 1502 O PHE A 103 2.741 -3.840 11.167 1.00 0.00 O ATOM 1503 CB PHE A 103 1.968 -1.253 9.120 1.00 0.00 C ATOM 1504 CG PHE A 103 1.351 -0.642 10.355 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.946 -0.843 11.607 1.00 0.00 C ATOM 1506 CD2 PHE A 103 0.183 0.122 10.250 1.00 0.00 C ATOM 1507 CE1 PHE A 103 1.373 -0.278 12.753 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.390 0.687 11.396 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.205 0.487 12.647 1.00 0.00 C ATOM 0 H PHE A 103 -0.043 -2.605 9.484 1.00 0.00 H new ATOM 0 HA PHE A 103 2.269 -3.143 8.156 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.982 -0.871 9.004 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.404 -0.931 8.245 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.847 -1.434 11.688 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.276 0.276 9.285 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.832 -0.432 13.718 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.291 1.277 11.315 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.237 0.923 13.531 1.00 0.00 H new ATOM 1519 N GLY A 104 4.343 -3.044 9.799 1.00 0.00 N ATOM 1520 CA GLY A 104 5.437 -3.465 10.651 1.00 0.00 C ATOM 1521 C GLY A 104 6.491 -2.371 10.735 1.00 0.00 C ATOM 1522 O GLY A 104 6.298 -1.277 10.209 1.00 0.00 O ATOM 0 H GLY A 104 4.634 -2.571 8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.062 -3.696 11.648 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.882 -4.379 10.258 1.00 0.00 H new ATOM 1526 N ASP A 105 7.611 -2.668 11.399 1.00 0.00 N ATOM 1527 CA ASP A 105 8.688 -1.711 11.549 1.00 0.00 C ATOM 1528 C ASP A 105 9.912 -2.401 12.133 1.00 0.00 C ATOM 1529 O ASP A 105 10.013 -2.568 13.346 1.00 0.00 O ATOM 1530 CB ASP A 105 8.230 -0.568 12.451 1.00 0.00 C ATOM 1531 CG ASP A 105 8.606 0.780 11.853 1.00 0.00 C ATOM 1532 OD1 ASP A 105 9.233 0.767 10.772 1.00 0.00 O ATOM 1533 OD2 ASP A 105 8.260 1.800 12.488 1.00 0.00 O ATOM 0 H ASP A 105 7.787 -3.571 11.840 1.00 0.00 H new ATOM 0 HA ASP A 105 8.956 -1.302 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 105 7.150 -0.620 12.591 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.684 -0.673 13.436 1.00 0.00 H new TER 1539 ASP A 105