USER MOD reduce.3.24.130724 H: found=0, std=0, add=1198, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1202 hydrogens (4 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 NoAdj-H: A 96 HIS HE2 : A 96 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 98 HIS HE2 : A 98 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 140 HIS HE2 : A 140 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD Set 1.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.729 K(o=-0.73,f=-3.5!) USER MOD Single : A 1 SER N :NH3+ 166:sc= 0.877 (180deg=0.631) USER MOD Single : A 1 SER OG : rot -4:sc= 0.951 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.000984 K(o=-0.00098,f=-1.6!) USER MOD Single : A 13 ASN : amide:sc= -0.265 X(o=-0.26,f=0) USER MOD Single : A 14 SER OG : rot -57:sc= -4.97! USER MOD Single : A 18 SER OG : rot -136:sc= 1.3 USER MOD Single : A 19 THR OG1 : rot 59:sc= 0.502 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 25 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.27) USER MOD Single : A 26 GLN : amide:sc= -0.0506 K(o=-0.051,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= -0.324 K(o=-0.32,f=-1.9!) USER MOD Single : A 29 ASN :FLIP amide:sc= -4.15! C(o=-6!,f=-4.1!) USER MOD Single : A 31 LYS NZ :NH3+ -104:sc= -10.8! (180deg=-11.3!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0248 USER MOD Single : A 58 GLN :FLIP amide:sc= -4.32! C(o=-7.7!,f=-4.3!) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.02! C(o=-4.5!,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -30:sc= -3.72! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.7! C(o=-1.7!,f=-1.5!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= 0.217 (180deg=0.143) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -2.03! C(o=-2!,f=-5.3!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 180:sc= 0.156 USER MOD Single : A 116 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-3.7) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 126 CYS SG : rot 123:sc= -4.34! USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN :FLIP amide:sc= -1.76 F(o=-6.9!,f=-1.8) USER MOD Single : A 133 SER OG : rot 53:sc= 0.399 USER MOD Single : A 137 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.24) USER MOD Single : A 138 THR OG1 : rot -2:sc= -0.949! USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 ASN : amide:sc= -2.87! C(o=-2.9!,f=-2.7!) USER MOD Single : A 151 THR OG1 : rot -160:sc= -0.416 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.843 7.138 1.021 1.00 0.00 N ATOM 2 CA SER A 1 8.110 7.920 0.948 1.00 0.00 C ATOM 3 C SER A 1 8.369 8.604 2.294 1.00 0.00 C ATOM 4 O SER A 1 9.231 9.449 2.413 1.00 0.00 O ATOM 5 CB SER A 1 7.991 8.978 -0.150 1.00 0.00 C ATOM 6 OG SER A 1 9.080 9.886 -0.052 1.00 0.00 O ATOM 0 H1 SER A 1 6.543 6.873 0.061 1.00 0.00 H new ATOM 0 H2 SER A 1 6.998 6.278 1.586 1.00 0.00 H new ATOM 0 H3 SER A 1 6.103 7.717 1.467 1.00 0.00 H new ATOM 0 HA SER A 1 8.939 7.250 0.719 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.988 8.502 -1.130 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.047 9.514 -0.053 1.00 0.00 H new ATOM 0 HG SER A 1 9.620 9.666 0.736 1.00 0.00 H new ATOM 14 N ALA A 2 7.626 8.245 3.309 1.00 0.00 N ATOM 15 CA ALA A 2 7.832 8.883 4.651 1.00 0.00 C ATOM 16 C ALA A 2 7.453 7.900 5.759 1.00 0.00 C ATOM 17 O ALA A 2 6.580 7.078 5.586 1.00 0.00 O ATOM 18 CB ALA A 2 6.942 10.123 4.754 1.00 0.00 C ATOM 0 H ALA A 2 6.888 7.542 3.271 1.00 0.00 H new ATOM 0 HA ALA A 2 8.880 9.162 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.085 10.594 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.208 10.828 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.898 9.832 4.642 1.00 0.00 H new ATOM 24 N LEU A 3 8.097 7.980 6.903 1.00 0.00 N ATOM 25 CA LEU A 3 7.752 7.057 8.012 1.00 0.00 C ATOM 26 C LEU A 3 7.616 7.877 9.287 1.00 0.00 C ATOM 27 O LEU A 3 8.532 8.560 9.699 1.00 0.00 O ATOM 28 CB LEU A 3 8.860 6.016 8.178 1.00 0.00 C ATOM 29 CG LEU A 3 8.626 5.207 9.460 1.00 0.00 C ATOM 30 CD1 LEU A 3 7.217 4.612 9.454 1.00 0.00 C ATOM 31 CD2 LEU A 3 9.655 4.072 9.527 1.00 0.00 C ATOM 0 H LEU A 3 8.843 8.645 7.107 1.00 0.00 H new ATOM 0 HA LEU A 3 6.817 6.539 7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.878 5.350 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.831 6.509 8.220 1.00 0.00 H new ATOM 0 HG LEU A 3 8.732 5.861 10.325 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.060 4.039 10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.483 5.416 9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.103 3.956 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.497 3.491 10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.540 3.425 8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.661 4.493 9.536 1.00 0.00 H new ATOM 43 N THR A 4 6.477 7.819 9.913 1.00 0.00 N ATOM 44 CA THR A 4 6.270 8.593 11.160 1.00 0.00 C ATOM 45 C THR A 4 5.670 7.666 12.206 1.00 0.00 C ATOM 46 O THR A 4 4.761 6.915 11.923 1.00 0.00 O ATOM 47 CB THR A 4 5.303 9.740 10.887 1.00 0.00 C ATOM 48 OG1 THR A 4 5.641 10.360 9.655 1.00 0.00 O ATOM 49 CG2 THR A 4 5.399 10.759 12.017 1.00 0.00 C ATOM 0 H THR A 4 5.676 7.264 9.611 1.00 0.00 H new ATOM 0 HA THR A 4 7.218 8.998 11.515 1.00 0.00 H new ATOM 0 HB THR A 4 4.285 9.356 10.830 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.019 11.096 9.478 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.709 11.581 11.825 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.140 10.280 12.961 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.417 11.145 12.073 1.00 0.00 H new ATOM 57 N ILE A 5 6.144 7.711 13.409 1.00 0.00 N ATOM 58 CA ILE A 5 5.552 6.825 14.445 1.00 0.00 C ATOM 59 C ILE A 5 5.517 7.574 15.761 1.00 0.00 C ATOM 60 O ILE A 5 6.560 7.930 16.290 1.00 0.00 O ATOM 61 CB ILE A 5 6.436 5.584 14.624 1.00 0.00 C ATOM 62 CG1 ILE A 5 6.935 5.102 13.254 1.00 0.00 C ATOM 63 CG2 ILE A 5 5.621 4.470 15.302 1.00 0.00 C ATOM 64 CD1 ILE A 5 7.956 3.978 13.439 1.00 0.00 C ATOM 0 H ILE A 5 6.906 8.313 13.722 1.00 0.00 H new ATOM 0 HA ILE A 5 4.548 6.528 14.141 1.00 0.00 H new ATOM 0 HB ILE A 5 7.294 5.836 15.248 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.096 4.748 12.655 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.388 5.931 12.710 1.00 0.00 H new ATOM 0 HG21 ILE A 5 6.248 3.587 15.430 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.275 4.814 16.277 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.762 4.218 14.680 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.306 3.640 12.464 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.801 4.346 14.020 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.489 3.145 13.965 1.00 0.00 H new ATOM 76 N PHE A 6 4.361 7.856 16.306 1.00 0.00 N ATOM 77 CA PHE A 6 4.300 8.609 17.586 1.00 0.00 C ATOM 78 C PHE A 6 3.825 7.670 18.690 1.00 0.00 C ATOM 79 O PHE A 6 3.370 6.575 18.428 1.00 0.00 O ATOM 80 CB PHE A 6 3.304 9.763 17.456 1.00 0.00 C ATOM 81 CG PHE A 6 2.284 9.463 16.388 1.00 0.00 C ATOM 82 CD1 PHE A 6 2.576 9.721 15.041 1.00 0.00 C ATOM 83 CD2 PHE A 6 1.035 8.947 16.747 1.00 0.00 C ATOM 84 CE1 PHE A 6 1.621 9.459 14.057 1.00 0.00 C ATOM 85 CE2 PHE A 6 0.077 8.685 15.760 1.00 0.00 C ATOM 86 CZ PHE A 6 0.370 8.942 14.415 1.00 0.00 C ATOM 0 H PHE A 6 3.456 7.594 15.915 1.00 0.00 H new ATOM 0 HA PHE A 6 5.288 9.003 17.824 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.803 9.927 18.410 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.835 10.683 17.212 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.540 10.122 14.765 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.809 8.751 17.785 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.847 9.655 13.019 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.887 8.285 16.036 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.369 8.741 13.654 1.00 0.00 H new ATOM 96 N SER A 7 3.903 8.084 19.923 1.00 0.00 N ATOM 97 CA SER A 7 3.434 7.200 21.021 1.00 0.00 C ATOM 98 C SER A 7 1.912 7.306 21.151 1.00 0.00 C ATOM 99 O SER A 7 1.322 8.331 20.876 1.00 0.00 O ATOM 100 CB SER A 7 4.084 7.627 22.336 1.00 0.00 C ATOM 101 OG SER A 7 3.806 6.651 23.331 1.00 0.00 O ATOM 0 H SER A 7 4.269 8.990 20.215 1.00 0.00 H new ATOM 0 HA SER A 7 3.710 6.170 20.796 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.161 7.735 22.206 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.702 8.599 22.646 1.00 0.00 H new ATOM 0 HG SER A 7 4.222 6.919 24.177 1.00 0.00 H new ATOM 107 N VAL A 8 1.280 6.246 21.577 1.00 0.00 N ATOM 108 CA VAL A 8 -0.206 6.268 21.735 1.00 0.00 C ATOM 109 C VAL A 8 -0.603 7.396 22.694 1.00 0.00 C ATOM 110 O VAL A 8 -1.701 7.912 22.633 1.00 0.00 O ATOM 111 CB VAL A 8 -0.691 4.925 22.298 1.00 0.00 C ATOM 112 CG1 VAL A 8 -0.284 4.798 23.764 1.00 0.00 C ATOM 113 CG2 VAL A 8 -2.214 4.839 22.200 1.00 0.00 C ATOM 0 H VAL A 8 1.728 5.363 21.823 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.666 6.437 20.762 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.238 4.120 21.719 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.632 3.842 24.157 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.802 4.851 23.846 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.731 5.610 24.337 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.551 3.883 22.601 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.662 5.651 22.773 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.517 4.921 21.156 1.00 0.00 H new ATOM 123 N LYS A 9 0.281 7.792 23.570 1.00 0.00 N ATOM 124 CA LYS A 9 -0.055 8.893 24.521 1.00 0.00 C ATOM 125 C LYS A 9 0.366 10.245 23.932 1.00 0.00 C ATOM 126 O LYS A 9 -0.234 11.265 24.210 1.00 0.00 O ATOM 127 CB LYS A 9 0.688 8.664 25.838 1.00 0.00 C ATOM 128 CG LYS A 9 0.203 7.364 26.478 1.00 0.00 C ATOM 129 CD LYS A 9 0.852 7.200 27.851 1.00 0.00 C ATOM 130 CE LYS A 9 0.454 5.849 28.441 1.00 0.00 C ATOM 131 NZ LYS A 9 0.462 5.936 29.928 1.00 0.00 N ATOM 0 H LYS A 9 1.219 7.403 23.669 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.131 8.899 24.696 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.762 8.615 25.658 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.516 9.501 26.515 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.882 7.377 26.576 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.455 6.516 25.841 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.936 7.266 27.763 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.536 8.006 28.513 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.537 5.563 28.088 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.146 5.076 28.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.191 5.016 30.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.416 6.190 30.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.215 6.662 30.237 1.00 0.00 H new ATOM 145 N ASP A 10 1.396 10.258 23.128 1.00 0.00 N ATOM 146 CA ASP A 10 1.869 11.542 22.519 1.00 0.00 C ATOM 147 C ASP A 10 1.727 11.490 20.994 1.00 0.00 C ATOM 148 O ASP A 10 2.676 11.207 20.288 1.00 0.00 O ATOM 149 CB ASP A 10 3.341 11.759 22.885 1.00 0.00 C ATOM 150 CG ASP A 10 3.513 11.635 24.401 1.00 0.00 C ATOM 151 OD1 ASP A 10 3.657 10.519 24.872 1.00 0.00 O ATOM 152 OD2 ASP A 10 3.505 12.659 25.065 1.00 0.00 O ATOM 0 H ASP A 10 1.934 9.433 22.864 1.00 0.00 H new ATOM 0 HA ASP A 10 1.264 12.364 22.902 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.965 11.025 22.376 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.669 12.743 22.550 1.00 0.00 H new ATOM 157 N PRO A 11 0.551 11.760 20.484 1.00 0.00 N ATOM 158 CA PRO A 11 0.285 11.743 19.021 1.00 0.00 C ATOM 159 C PRO A 11 0.621 13.075 18.340 1.00 0.00 C ATOM 160 O PRO A 11 0.706 13.158 17.130 1.00 0.00 O ATOM 161 CB PRO A 11 -1.216 11.475 18.955 1.00 0.00 C ATOM 162 CG PRO A 11 -1.781 12.075 20.202 1.00 0.00 C ATOM 163 CD PRO A 11 -0.655 12.111 21.245 1.00 0.00 C ATOM 0 HA PRO A 11 0.898 11.006 18.502 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.657 11.927 18.067 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.422 10.406 18.905 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.157 13.080 20.008 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.622 11.484 20.565 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.566 13.097 21.701 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.837 11.402 22.053 1.00 0.00 H new ATOM 171 N GLN A 12 0.796 14.122 19.101 1.00 0.00 N ATOM 172 CA GLN A 12 1.105 15.449 18.487 1.00 0.00 C ATOM 173 C GLN A 12 2.618 15.625 18.325 1.00 0.00 C ATOM 174 O GLN A 12 3.079 16.347 17.465 1.00 0.00 O ATOM 175 CB GLN A 12 0.575 16.556 19.402 1.00 0.00 C ATOM 176 CG GLN A 12 -0.950 16.513 19.445 1.00 0.00 C ATOM 177 CD GLN A 12 -1.454 17.585 20.412 1.00 0.00 C ATOM 178 OE1 GLN A 12 -0.701 18.088 21.223 1.00 0.00 O ATOM 179 NE2 GLN A 12 -2.702 17.959 20.363 1.00 0.00 N ATOM 0 H GLN A 12 0.739 14.118 20.119 1.00 0.00 H new ATOM 0 HA GLN A 12 0.633 15.503 17.506 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.979 16.433 20.407 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.909 17.529 19.041 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.359 16.683 18.449 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.289 15.528 19.765 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.334 17.537 19.683 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.046 18.673 21.005 1.00 0.00 H new ATOM 188 N ASN A 13 3.384 14.980 19.155 1.00 0.00 N ATOM 189 CA ASN A 13 4.869 15.116 19.064 1.00 0.00 C ATOM 190 C ASN A 13 5.502 13.750 18.878 1.00 0.00 C ATOM 191 O ASN A 13 5.935 13.128 19.830 1.00 0.00 O ATOM 192 CB ASN A 13 5.408 15.731 20.355 1.00 0.00 C ATOM 193 CG ASN A 13 4.683 17.044 20.634 1.00 0.00 C ATOM 194 OD1 ASN A 13 4.288 17.309 21.751 1.00 0.00 O ATOM 195 ND2 ASN A 13 4.488 17.885 19.656 1.00 0.00 N ATOM 0 H ASN A 13 3.050 14.363 19.895 1.00 0.00 H new ATOM 0 HA ASN A 13 5.112 15.755 18.215 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.265 15.041 21.186 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.480 15.907 20.267 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.004 18.766 19.830 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.820 17.662 18.718 1.00 0.00 H new ATOM 202 N SER A 14 5.567 13.255 17.676 1.00 0.00 N ATOM 203 CA SER A 14 6.170 11.924 17.473 1.00 0.00 C ATOM 204 C SER A 14 7.666 11.983 17.748 1.00 0.00 C ATOM 205 O SER A 14 8.370 12.862 17.286 1.00 0.00 O ATOM 206 CB SER A 14 5.935 11.491 16.022 1.00 0.00 C ATOM 207 OG SER A 14 5.935 10.078 15.952 1.00 0.00 O ATOM 0 H SER A 14 5.228 13.717 16.832 1.00 0.00 H new ATOM 0 HA SER A 14 5.713 11.208 18.156 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.985 11.885 15.662 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.714 11.899 15.378 1.00 0.00 H new ATOM 0 HG SER A 14 6.783 9.733 16.301 1.00 0.00 H new ATOM 213 N LEU A 15 8.154 11.040 18.492 1.00 0.00 N ATOM 214 CA LEU A 15 9.599 11.005 18.804 1.00 0.00 C ATOM 215 C LEU A 15 10.309 10.156 17.753 1.00 0.00 C ATOM 216 O LEU A 15 11.366 9.607 18.004 1.00 0.00 O ATOM 217 CB LEU A 15 9.805 10.391 20.188 1.00 0.00 C ATOM 218 CG LEU A 15 8.965 11.157 21.213 1.00 0.00 C ATOM 219 CD1 LEU A 15 9.263 10.633 22.620 1.00 0.00 C ATOM 220 CD2 LEU A 15 9.314 12.643 21.139 1.00 0.00 C ATOM 0 H LEU A 15 7.606 10.283 18.902 1.00 0.00 H new ATOM 0 HA LEU A 15 10.007 12.016 18.797 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.517 9.340 20.178 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.859 10.431 20.463 1.00 0.00 H new ATOM 0 HG LEU A 15 7.907 11.016 20.994 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.663 11.181 23.347 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.018 9.572 22.673 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.321 10.772 22.844 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.718 13.193 21.867 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.373 12.779 21.359 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.100 13.018 20.138 1.00 0.00 H new ATOM 232 N TRP A 16 9.798 10.117 16.546 1.00 0.00 N ATOM 233 CA TRP A 16 10.544 9.377 15.487 1.00 0.00 C ATOM 234 C TRP A 16 10.054 9.746 14.085 1.00 0.00 C ATOM 235 O TRP A 16 9.002 9.309 13.664 1.00 0.00 O ATOM 236 CB TRP A 16 10.371 7.859 15.685 1.00 0.00 C ATOM 237 CG TRP A 16 11.436 7.103 14.927 1.00 0.00 C ATOM 238 CD1 TRP A 16 12.502 6.488 15.497 1.00 0.00 C ATOM 239 CD2 TRP A 16 11.560 6.861 13.484 1.00 0.00 C ATOM 240 NE1 TRP A 16 13.268 5.897 14.505 1.00 0.00 N ATOM 241 CE2 TRP A 16 12.731 6.101 13.250 1.00 0.00 C ATOM 242 CE3 TRP A 16 10.786 7.223 12.366 1.00 0.00 C ATOM 243 CZ2 TRP A 16 13.114 5.720 11.958 1.00 0.00 C ATOM 244 CZ3 TRP A 16 11.168 6.846 11.077 1.00 0.00 C ATOM 245 CH2 TRP A 16 12.325 6.101 10.869 1.00 0.00 C ATOM 0 H TRP A 16 8.922 10.552 16.256 1.00 0.00 H new ATOM 0 HA TRP A 16 11.594 9.656 15.575 1.00 0.00 H new ATOM 0 HB2 TRP A 16 10.429 7.616 16.746 1.00 0.00 H new ATOM 0 HB3 TRP A 16 9.384 7.551 15.341 1.00 0.00 H new ATOM 0 HD1 TRP A 16 12.719 6.463 16.555 1.00 0.00 H new ATOM 0 HE1 TRP A 16 14.126 5.374 14.681 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.884 7.800 12.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.010 5.137 11.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 10.560 7.135 10.233 1.00 0.00 H new ATOM 0 HH2 TRP A 16 12.613 5.818 9.867 1.00 0.00 H new ATOM 256 N HIS A 17 10.801 10.535 13.356 1.00 0.00 N ATOM 257 CA HIS A 17 10.370 10.881 11.963 1.00 0.00 C ATOM 258 C HIS A 17 11.587 10.861 11.053 1.00 0.00 C ATOM 259 O HIS A 17 12.541 11.592 11.230 1.00 0.00 O ATOM 260 CB HIS A 17 9.748 12.263 11.896 1.00 0.00 C ATOM 261 CG HIS A 17 9.098 12.462 10.549 1.00 0.00 C ATOM 262 ND1 HIS A 17 9.093 11.476 9.565 1.00 0.00 N ATOM 263 CD2 HIS A 17 8.430 13.532 10.009 1.00 0.00 C ATOM 264 CE1 HIS A 17 8.438 11.971 8.494 1.00 0.00 C ATOM 265 NE2 HIS A 17 8.015 13.221 8.717 1.00 0.00 N ATOM 0 H HIS A 17 11.682 10.952 13.658 1.00 0.00 H new ATOM 0 HA HIS A 17 9.626 10.149 11.649 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.008 12.379 12.688 1.00 0.00 H new ATOM 0 HB3 HIS A 17 10.511 13.024 12.059 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.253 14.472 10.510 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.276 11.428 7.575 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.497 13.820 8.075 1.00 0.00 H new ATOM 274 N SER A 18 11.547 10.018 10.080 1.00 0.00 N ATOM 275 CA SER A 18 12.694 9.913 9.133 1.00 0.00 C ATOM 276 C SER A 18 12.254 9.232 7.841 1.00 0.00 C ATOM 277 O SER A 18 11.471 8.304 7.868 1.00 0.00 O ATOM 278 CB SER A 18 13.785 9.067 9.778 1.00 0.00 C ATOM 279 OG SER A 18 15.054 9.618 9.457 1.00 0.00 O ATOM 0 H SER A 18 10.768 9.387 9.889 1.00 0.00 H new ATOM 0 HA SER A 18 13.061 10.914 8.906 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.650 9.040 10.859 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.722 8.038 9.423 1.00 0.00 H new ATOM 0 HG SER A 18 15.668 8.898 9.201 1.00 0.00 H new ATOM 285 N THR A 19 12.788 9.637 6.721 1.00 0.00 N ATOM 286 CA THR A 19 12.416 8.940 5.455 1.00 0.00 C ATOM 287 C THR A 19 13.691 8.578 4.680 1.00 0.00 C ATOM 288 O THR A 19 14.216 9.372 3.923 1.00 0.00 O ATOM 289 CB THR A 19 11.569 9.906 4.617 1.00 0.00 C ATOM 290 OG1 THR A 19 12.426 10.775 3.889 1.00 0.00 O ATOM 291 CG2 THR A 19 10.682 10.740 5.546 1.00 0.00 C ATOM 0 H THR A 19 13.453 10.405 6.626 1.00 0.00 H new ATOM 0 HA THR A 19 11.858 8.029 5.670 1.00 0.00 H new ATOM 0 HB THR A 19 10.947 9.338 3.925 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.018 10.245 3.315 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.079 11.427 4.953 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.027 10.079 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.308 11.308 6.234 1.00 0.00 H new ATOM 299 N ASN A 20 14.170 7.361 4.815 1.00 0.00 N ATOM 300 CA ASN A 20 15.372 6.916 4.040 1.00 0.00 C ATOM 301 C ASN A 20 15.140 5.490 3.519 1.00 0.00 C ATOM 302 O ASN A 20 14.382 4.744 4.111 1.00 0.00 O ATOM 303 CB ASN A 20 16.624 6.972 4.907 1.00 0.00 C ATOM 304 CG ASN A 20 17.671 7.827 4.185 1.00 0.00 C ATOM 305 OD1 ASN A 20 18.005 7.565 3.045 1.00 0.00 O ATOM 306 ND2 ASN A 20 18.195 8.850 4.797 1.00 0.00 N ATOM 0 H ASN A 20 13.775 6.653 5.434 1.00 0.00 H new ATOM 0 HA ASN A 20 15.521 7.588 3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.392 7.400 5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.009 5.968 5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 20 18.885 9.431 4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 20 17.916 9.070 5.753 1.00 0.00 H new ATOM 313 N ALA A 21 15.767 5.076 2.440 1.00 0.00 N ATOM 314 CA ALA A 21 15.504 3.680 1.977 1.00 0.00 C ATOM 315 C ALA A 21 15.866 2.697 3.100 1.00 0.00 C ATOM 316 O ALA A 21 15.048 1.903 3.504 1.00 0.00 O ATOM 317 CB ALA A 21 16.366 3.360 0.745 1.00 0.00 C ATOM 0 H ALA A 21 16.423 5.621 1.881 1.00 0.00 H new ATOM 0 HA ALA A 21 14.450 3.587 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 21 16.166 2.340 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.123 4.055 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.420 3.458 1.003 1.00 0.00 H new ATOM 323 N GLU A 22 17.084 2.712 3.590 1.00 0.00 N ATOM 324 CA GLU A 22 17.464 1.735 4.662 1.00 0.00 C ATOM 325 C GLU A 22 16.709 2.044 5.957 1.00 0.00 C ATOM 326 O GLU A 22 16.448 1.168 6.752 1.00 0.00 O ATOM 327 CB GLU A 22 18.975 1.790 4.931 1.00 0.00 C ATOM 328 CG GLU A 22 19.746 1.334 3.692 1.00 0.00 C ATOM 329 CD GLU A 22 21.248 1.331 4.000 1.00 0.00 C ATOM 330 OE1 GLU A 22 21.614 1.811 5.061 1.00 0.00 O ATOM 331 OE2 GLU A 22 22.003 0.850 3.172 1.00 0.00 O ATOM 0 H GLU A 22 17.824 3.351 3.298 1.00 0.00 H new ATOM 0 HA GLU A 22 17.198 0.736 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.268 2.805 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.225 1.153 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.422 0.336 3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.537 1.999 2.854 1.00 0.00 H new ATOM 338 N GLU A 23 16.379 3.281 6.192 1.00 0.00 N ATOM 339 CA GLU A 23 15.661 3.618 7.457 1.00 0.00 C ATOM 340 C GLU A 23 14.217 3.112 7.392 1.00 0.00 C ATOM 341 O GLU A 23 13.744 2.458 8.298 1.00 0.00 O ATOM 342 CB GLU A 23 15.665 5.133 7.664 1.00 0.00 C ATOM 343 CG GLU A 23 17.085 5.605 7.981 1.00 0.00 C ATOM 344 CD GLU A 23 17.060 7.108 8.267 1.00 0.00 C ATOM 345 OE1 GLU A 23 16.000 7.695 8.126 1.00 0.00 O ATOM 346 OE2 GLU A 23 18.096 7.644 8.623 1.00 0.00 O ATOM 0 H GLU A 23 16.571 4.068 5.572 1.00 0.00 H new ATOM 0 HA GLU A 23 16.170 3.137 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.296 5.633 6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.992 5.400 8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.478 5.065 8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.748 5.393 7.142 1.00 0.00 H new ATOM 353 N ILE A 24 13.507 3.408 6.339 1.00 0.00 N ATOM 354 CA ILE A 24 12.091 2.942 6.233 1.00 0.00 C ATOM 355 C ILE A 24 12.056 1.419 6.070 1.00 0.00 C ATOM 356 O ILE A 24 11.191 0.749 6.597 1.00 0.00 O ATOM 357 CB ILE A 24 11.440 3.609 5.014 1.00 0.00 C ATOM 358 CG1 ILE A 24 11.570 5.127 5.128 1.00 0.00 C ATOM 359 CG2 ILE A 24 9.958 3.252 4.965 1.00 0.00 C ATOM 360 CD1 ILE A 24 11.226 5.769 3.782 1.00 0.00 C ATOM 0 H ILE A 24 13.844 3.953 5.545 1.00 0.00 H new ATOM 0 HA ILE A 24 11.546 3.212 7.137 1.00 0.00 H new ATOM 0 HB ILE A 24 11.939 3.258 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.903 5.503 5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.585 5.395 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.498 3.727 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.847 2.170 4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.469 3.603 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.318 6.852 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.911 5.402 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.203 5.511 3.507 1.00 0.00 H new ATOM 372 N GLN A 25 12.989 0.868 5.344 1.00 0.00 N ATOM 373 CA GLN A 25 13.008 -0.608 5.144 1.00 0.00 C ATOM 374 C GLN A 25 13.357 -1.326 6.452 1.00 0.00 C ATOM 375 O GLN A 25 12.730 -2.290 6.816 1.00 0.00 O ATOM 376 CB GLN A 25 14.048 -0.962 4.080 1.00 0.00 C ATOM 377 CG GLN A 25 13.889 -2.431 3.697 1.00 0.00 C ATOM 378 CD GLN A 25 14.998 -2.830 2.726 1.00 0.00 C ATOM 379 OE1 GLN A 25 16.162 -2.822 3.076 1.00 0.00 O ATOM 380 NE2 GLN A 25 14.684 -3.182 1.510 1.00 0.00 N ATOM 0 H GLN A 25 13.741 1.378 4.880 1.00 0.00 H new ATOM 0 HA GLN A 25 12.018 -0.930 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 25 13.919 -0.328 3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.053 -0.779 4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 25 13.930 -3.056 4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.914 -2.594 3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.707 -3.188 1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.415 -3.451 0.852 1.00 0.00 H new ATOM 389 N GLN A 26 14.369 -0.880 7.143 1.00 0.00 N ATOM 390 CA GLN A 26 14.765 -1.555 8.420 1.00 0.00 C ATOM 391 C GLN A 26 13.663 -1.406 9.471 1.00 0.00 C ATOM 392 O GLN A 26 13.354 -2.333 10.195 1.00 0.00 O ATOM 393 CB GLN A 26 16.058 -0.927 8.951 1.00 0.00 C ATOM 394 CG GLN A 26 17.228 -1.300 8.041 1.00 0.00 C ATOM 395 CD GLN A 26 18.472 -0.524 8.476 1.00 0.00 C ATOM 396 OE1 GLN A 26 18.367 0.502 9.117 1.00 0.00 O ATOM 397 NE2 GLN A 26 19.655 -0.971 8.155 1.00 0.00 N ATOM 0 H GLN A 26 14.942 -0.077 6.882 1.00 0.00 H new ATOM 0 HA GLN A 26 14.921 -2.615 8.220 1.00 0.00 H new ATOM 0 HB2 GLN A 26 15.954 0.157 8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.251 -1.273 9.966 1.00 0.00 H new ATOM 0 HG2 GLN A 26 17.417 -2.372 8.093 1.00 0.00 H new ATOM 0 HG3 GLN A 26 16.985 -1.069 7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 26 19.746 -1.833 7.617 1.00 0.00 H new ATOM 0 HE22 GLN A 26 20.489 -0.459 8.442 1.00 0.00 H new ATOM 406 N GLN A 27 13.074 -0.248 9.571 1.00 0.00 N ATOM 407 CA GLN A 27 11.996 -0.038 10.585 1.00 0.00 C ATOM 408 C GLN A 27 10.760 -0.852 10.206 1.00 0.00 C ATOM 409 O GLN A 27 10.142 -1.488 11.030 1.00 0.00 O ATOM 410 CB GLN A 27 11.633 1.451 10.627 1.00 0.00 C ATOM 411 CG GLN A 27 12.823 2.252 11.160 1.00 0.00 C ATOM 412 CD GLN A 27 12.993 1.974 12.654 1.00 0.00 C ATOM 413 OE1 GLN A 27 13.523 0.951 13.037 1.00 0.00 O ATOM 414 NE2 GLN A 27 12.561 2.848 13.521 1.00 0.00 N ATOM 0 H GLN A 27 13.291 0.565 8.995 1.00 0.00 H new ATOM 0 HA GLN A 27 12.349 -0.362 11.564 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.364 1.799 9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.762 1.606 11.264 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.730 1.978 10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.663 3.317 10.993 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.116 3.708 13.200 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.669 2.672 14.520 1.00 0.00 H new ATOM 423 N LEU A 28 10.400 -0.825 8.961 1.00 0.00 N ATOM 424 CA LEU A 28 9.196 -1.584 8.510 1.00 0.00 C ATOM 425 C LEU A 28 9.445 -3.102 8.635 1.00 0.00 C ATOM 426 O LEU A 28 8.586 -3.859 9.045 1.00 0.00 O ATOM 427 CB LEU A 28 8.913 -1.217 7.050 1.00 0.00 C ATOM 428 CG LEU A 28 8.394 0.220 6.962 1.00 0.00 C ATOM 429 CD1 LEU A 28 8.308 0.624 5.492 1.00 0.00 C ATOM 430 CD2 LEU A 28 6.999 0.311 7.592 1.00 0.00 C ATOM 0 H LEU A 28 10.886 -0.309 8.227 1.00 0.00 H new ATOM 0 HA LEU A 28 8.340 -1.326 9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.822 -1.321 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.178 -1.904 6.630 1.00 0.00 H new ATOM 0 HG LEU A 28 9.072 0.885 7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.939 1.647 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.297 0.561 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.626 -0.047 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.636 1.337 7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.316 -0.351 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.052 0.012 8.639 1.00 0.00 H new ATOM 442 N ASN A 29 10.621 -3.539 8.297 1.00 0.00 N ATOM 443 CA ASN A 29 10.956 -4.994 8.394 1.00 0.00 C ATOM 444 C ASN A 29 10.945 -5.433 9.859 1.00 0.00 C ATOM 445 O ASN A 29 10.539 -6.531 10.188 1.00 0.00 O ATOM 446 CB ASN A 29 12.349 -5.231 7.803 1.00 0.00 C ATOM 447 CG ASN A 29 12.344 -4.857 6.320 1.00 0.00 C ATOM 448 OD1 ASN A 29 11.267 -4.336 5.796 1.00 0.00 O flip ATOM 449 ND2 ASN A 29 13.328 -5.037 5.631 1.00 0.00 N flip ATOM 0 H ASN A 29 11.378 -2.948 7.953 1.00 0.00 H new ATOM 0 HA ASN A 29 10.216 -5.573 7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.089 -4.634 8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.634 -6.276 7.925 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.169 -5.444 6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.313 -4.781 4.644 1.00 0.00 H new ATOM 456 N ALA A 30 11.412 -4.590 10.737 1.00 0.00 N ATOM 457 CA ALA A 30 11.453 -4.971 12.175 1.00 0.00 C ATOM 458 C ALA A 30 10.045 -5.341 12.629 1.00 0.00 C ATOM 459 O ALA A 30 9.859 -5.973 13.649 1.00 0.00 O ATOM 460 CB ALA A 30 11.981 -3.804 13.014 1.00 0.00 C ATOM 0 H ALA A 30 11.766 -3.658 10.522 1.00 0.00 H new ATOM 0 HA ALA A 30 12.119 -5.823 12.308 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.007 -4.094 14.065 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.987 -3.545 12.684 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.325 -2.942 12.891 1.00 0.00 H new ATOM 466 N LYS A 31 9.047 -4.959 11.881 1.00 0.00 N ATOM 467 CA LYS A 31 7.653 -5.301 12.275 1.00 0.00 C ATOM 468 C LYS A 31 7.190 -6.542 11.509 1.00 0.00 C ATOM 469 O LYS A 31 6.064 -6.972 11.644 1.00 0.00 O ATOM 470 CB LYS A 31 6.727 -4.120 11.951 1.00 0.00 C ATOM 471 CG LYS A 31 6.496 -3.260 13.201 1.00 0.00 C ATOM 472 CD LYS A 31 6.528 -1.782 12.816 1.00 0.00 C ATOM 473 CE LYS A 31 7.979 -1.292 12.703 1.00 0.00 C ATOM 474 NZ LYS A 31 8.924 -2.445 12.754 1.00 0.00 N ATOM 0 H LYS A 31 9.137 -4.426 11.016 1.00 0.00 H new ATOM 0 HA LYS A 31 7.619 -5.507 13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.166 -3.512 11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.773 -4.490 11.576 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.536 -3.508 13.654 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.263 -3.469 13.946 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.012 -1.635 11.867 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.995 -1.193 13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.113 -0.745 11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.199 -0.597 13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.374 -2.484 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.403 -3.329 12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.655 -2.327 12.024 1.00 0.00 H new ATOM 488 N GLY A 32 8.043 -7.139 10.718 1.00 0.00 N ATOM 489 CA GLY A 32 7.611 -8.364 9.976 1.00 0.00 C ATOM 490 C GLY A 32 6.854 -7.961 8.712 1.00 0.00 C ATOM 491 O GLY A 32 6.056 -8.714 8.192 1.00 0.00 O ATOM 0 H GLY A 32 9.004 -6.839 10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.480 -8.967 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.975 -8.980 10.611 1.00 0.00 H new ATOM 495 N VAL A 33 7.105 -6.781 8.213 1.00 0.00 N ATOM 496 CA VAL A 33 6.405 -6.332 6.976 1.00 0.00 C ATOM 497 C VAL A 33 7.418 -6.188 5.834 1.00 0.00 C ATOM 498 O VAL A 33 8.538 -5.759 6.030 1.00 0.00 O ATOM 499 CB VAL A 33 5.707 -4.991 7.234 1.00 0.00 C ATOM 500 CG1 VAL A 33 5.483 -4.792 8.742 1.00 0.00 C ATOM 501 CG2 VAL A 33 6.555 -3.844 6.693 1.00 0.00 C ATOM 0 H VAL A 33 7.764 -6.110 8.608 1.00 0.00 H new ATOM 0 HA VAL A 33 5.656 -7.072 6.695 1.00 0.00 H new ATOM 0 HB VAL A 33 4.744 -4.999 6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.987 -3.837 8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.859 -5.599 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.444 -4.799 9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.049 -2.897 6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.525 -3.843 7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.697 -3.971 5.620 1.00 0.00 H new ATOM 511 N ARG A 34 7.041 -6.560 4.642 1.00 0.00 N ATOM 512 CA ARG A 34 7.991 -6.449 3.497 1.00 0.00 C ATOM 513 C ARG A 34 7.920 -5.042 2.899 1.00 0.00 C ATOM 514 O ARG A 34 6.863 -4.451 2.794 1.00 0.00 O ATOM 515 CB ARG A 34 7.626 -7.482 2.426 1.00 0.00 C ATOM 516 CG ARG A 34 8.651 -7.424 1.291 1.00 0.00 C ATOM 517 CD ARG A 34 8.313 -8.479 0.238 1.00 0.00 C ATOM 518 NE ARG A 34 8.494 -9.836 0.830 1.00 0.00 N ATOM 519 CZ ARG A 34 8.940 -10.824 0.100 1.00 0.00 C ATOM 520 NH1 ARG A 34 9.211 -10.644 -1.165 1.00 0.00 N ATOM 521 NH2 ARG A 34 9.110 -12.000 0.639 1.00 0.00 N ATOM 0 H ARG A 34 6.121 -6.934 4.411 1.00 0.00 H new ATOM 0 HA ARG A 34 9.004 -6.637 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.606 -8.481 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.627 -7.283 2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.652 -6.432 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.653 -7.596 1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.286 -8.352 -0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.957 -8.360 -0.633 1.00 0.00 H new ATOM 0 HE ARG A 34 8.268 -9.994 1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.075 -9.727 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.559 -11.421 -1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.895 -12.145 1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.458 -12.775 0.074 1.00 0.00 H new ATOM 535 N PHE A 35 9.039 -4.507 2.500 1.00 0.00 N ATOM 536 CA PHE A 35 9.051 -3.144 1.901 1.00 0.00 C ATOM 537 C PHE A 35 10.235 -3.056 0.939 1.00 0.00 C ATOM 538 O PHE A 35 11.374 -3.233 1.323 1.00 0.00 O ATOM 539 CB PHE A 35 9.194 -2.094 3.013 1.00 0.00 C ATOM 540 CG PHE A 35 9.041 -0.700 2.438 1.00 0.00 C ATOM 541 CD1 PHE A 35 7.760 -0.141 2.263 1.00 0.00 C ATOM 542 CD2 PHE A 35 10.181 0.043 2.086 1.00 0.00 C ATOM 543 CE1 PHE A 35 7.627 1.148 1.736 1.00 0.00 C ATOM 544 CE2 PHE A 35 10.039 1.335 1.560 1.00 0.00 C ATOM 545 CZ PHE A 35 8.763 1.884 1.385 1.00 0.00 C ATOM 0 H PHE A 35 9.952 -4.958 2.563 1.00 0.00 H new ATOM 0 HA PHE A 35 8.121 -2.956 1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 35 8.440 -2.263 3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.167 -2.192 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.881 -0.707 2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.165 -0.381 2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.645 1.576 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.914 1.907 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.656 2.879 0.978 1.00 0.00 H new ATOM 555 N GLU A 36 9.975 -2.803 -0.315 1.00 0.00 N ATOM 556 CA GLU A 36 11.080 -2.725 -1.307 1.00 0.00 C ATOM 557 C GLU A 36 10.740 -1.650 -2.333 1.00 0.00 C ATOM 558 O GLU A 36 9.631 -1.159 -2.373 1.00 0.00 O ATOM 559 CB GLU A 36 11.219 -4.069 -2.029 1.00 0.00 C ATOM 560 CG GLU A 36 11.299 -5.206 -1.010 1.00 0.00 C ATOM 561 CD GLU A 36 12.540 -5.029 -0.135 1.00 0.00 C ATOM 562 OE1 GLU A 36 13.416 -4.276 -0.530 1.00 0.00 O ATOM 563 OE2 GLU A 36 12.595 -5.647 0.915 1.00 0.00 O ATOM 0 H GLU A 36 9.041 -2.647 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 36 12.014 -2.485 -0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.368 -4.224 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.113 -4.065 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.403 -5.214 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.339 -6.166 -1.525 1.00 0.00 H new ATOM 570 N ARG A 37 11.674 -1.277 -3.161 1.00 0.00 N ATOM 571 CA ARG A 37 11.383 -0.229 -4.179 1.00 0.00 C ATOM 572 C ARG A 37 11.265 -0.869 -5.564 1.00 0.00 C ATOM 573 O ARG A 37 12.173 -1.527 -6.029 1.00 0.00 O ATOM 574 CB ARG A 37 12.524 0.790 -4.186 1.00 0.00 C ATOM 575 CG ARG A 37 13.813 0.117 -4.669 1.00 0.00 C ATOM 576 CD ARG A 37 15.018 0.945 -4.219 1.00 0.00 C ATOM 577 NE ARG A 37 15.197 0.797 -2.746 1.00 0.00 N ATOM 578 CZ ARG A 37 15.679 -0.312 -2.254 1.00 0.00 C ATOM 579 NH1 ARG A 37 15.996 -1.294 -3.053 1.00 0.00 N ATOM 580 NH2 ARG A 37 15.840 -0.440 -0.965 1.00 0.00 N ATOM 0 H ARG A 37 12.623 -1.650 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 37 10.444 0.266 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.273 1.627 -4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.668 1.197 -3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.882 -0.894 -4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.805 0.027 -5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.916 0.614 -4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.869 1.994 -4.475 1.00 0.00 H new ATOM 0 HE ARG A 37 14.943 1.563 -2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.867 -1.194 -4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.373 -2.161 -2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.589 0.327 -0.341 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.217 -1.307 -0.582 1.00 0.00 H new ATOM 594 N TRP A 38 10.149 -0.694 -6.228 1.00 0.00 N ATOM 595 CA TRP A 38 9.992 -1.310 -7.578 1.00 0.00 C ATOM 596 C TRP A 38 10.206 -0.242 -8.648 1.00 0.00 C ATOM 597 O TRP A 38 9.940 0.926 -8.443 1.00 0.00 O ATOM 598 CB TRP A 38 8.585 -1.888 -7.737 1.00 0.00 C ATOM 599 CG TRP A 38 8.391 -3.075 -6.848 1.00 0.00 C ATOM 600 CD1 TRP A 38 8.462 -3.072 -5.497 1.00 0.00 C ATOM 601 CD2 TRP A 38 8.075 -4.439 -7.233 1.00 0.00 C ATOM 602 NE1 TRP A 38 8.186 -4.343 -5.031 1.00 0.00 N ATOM 603 CE2 TRP A 38 7.946 -5.222 -6.064 1.00 0.00 C ATOM 604 CE3 TRP A 38 7.887 -5.065 -8.474 1.00 0.00 C ATOM 605 CZ2 TRP A 38 7.633 -6.579 -6.127 1.00 0.00 C ATOM 606 CZ3 TRP A 38 7.580 -6.431 -8.539 1.00 0.00 C ATOM 607 CH2 TRP A 38 7.450 -7.186 -7.367 1.00 0.00 C ATOM 0 H TRP A 38 9.348 -0.156 -5.896 1.00 0.00 H new ATOM 0 HA TRP A 38 10.726 -2.109 -7.687 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.845 -1.125 -7.497 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.421 -2.176 -8.775 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.696 -2.215 -4.883 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.163 -4.599 -4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 38 7.979 -4.491 -9.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.533 -7.156 -5.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 7.443 -6.905 -9.500 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.208 -8.237 -7.424 1.00 0.00 H new ATOM 618 N GLN A 39 10.697 -0.635 -9.788 1.00 0.00 N ATOM 619 CA GLN A 39 10.945 0.347 -10.875 1.00 0.00 C ATOM 620 C GLN A 39 9.741 0.394 -11.819 1.00 0.00 C ATOM 621 O GLN A 39 9.409 -0.574 -12.472 1.00 0.00 O ATOM 622 CB GLN A 39 12.207 -0.069 -11.635 1.00 0.00 C ATOM 623 CG GLN A 39 11.992 -1.431 -12.302 1.00 0.00 C ATOM 624 CD GLN A 39 13.352 -2.058 -12.624 1.00 0.00 C ATOM 625 OE1 GLN A 39 14.156 -2.276 -11.740 1.00 0.00 O ATOM 626 NE2 GLN A 39 13.649 -2.354 -13.860 1.00 0.00 N ATOM 0 H GLN A 39 10.938 -1.600 -10.014 1.00 0.00 H new ATOM 0 HA GLN A 39 11.087 1.342 -10.454 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.451 0.680 -12.389 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.054 -0.120 -10.950 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.424 -2.086 -11.642 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.408 -1.314 -13.215 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.975 -2.172 -14.604 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.555 -2.767 -14.082 1.00 0.00 H new ATOM 635 N ALA A 40 9.085 1.520 -11.896 1.00 0.00 N ATOM 636 CA ALA A 40 7.907 1.636 -12.797 1.00 0.00 C ATOM 637 C ALA A 40 8.356 2.244 -14.132 1.00 0.00 C ATOM 638 O ALA A 40 7.873 3.275 -14.555 1.00 0.00 O ATOM 639 CB ALA A 40 6.846 2.526 -12.137 1.00 0.00 C ATOM 0 H ALA A 40 9.316 2.365 -11.373 1.00 0.00 H new ATOM 0 HA ALA A 40 7.476 0.651 -12.979 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.982 2.612 -12.796 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.537 2.083 -11.190 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.264 3.516 -11.955 1.00 0.00 H new ATOM 645 N ASP A 41 9.286 1.607 -14.793 1.00 0.00 N ATOM 646 CA ASP A 41 9.785 2.135 -16.097 1.00 0.00 C ATOM 647 C ASP A 41 9.021 1.475 -17.246 1.00 0.00 C ATOM 648 O ASP A 41 9.260 1.759 -18.403 1.00 0.00 O ATOM 649 CB ASP A 41 11.281 1.836 -16.241 1.00 0.00 C ATOM 650 CG ASP A 41 12.060 2.613 -15.178 1.00 0.00 C ATOM 651 OD1 ASP A 41 11.474 3.494 -14.572 1.00 0.00 O ATOM 652 OD2 ASP A 41 13.227 2.313 -14.990 1.00 0.00 O ATOM 0 H ASP A 41 9.724 0.739 -14.484 1.00 0.00 H new ATOM 0 HA ASP A 41 9.628 3.213 -16.128 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.461 0.767 -16.131 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.625 2.116 -17.237 1.00 0.00 H new ATOM 657 N ARG A 42 8.110 0.589 -16.945 1.00 0.00 N ATOM 658 CA ARG A 42 7.350 -0.086 -18.036 1.00 0.00 C ATOM 659 C ARG A 42 6.134 0.761 -18.418 1.00 0.00 C ATOM 660 O ARG A 42 5.339 1.141 -17.581 1.00 0.00 O ATOM 661 CB ARG A 42 6.880 -1.458 -17.551 1.00 0.00 C ATOM 662 CG ARG A 42 8.054 -2.438 -17.568 1.00 0.00 C ATOM 663 CD ARG A 42 7.879 -3.412 -18.734 1.00 0.00 C ATOM 664 NE ARG A 42 7.947 -2.654 -20.015 1.00 0.00 N ATOM 665 CZ ARG A 42 7.389 -3.135 -21.093 1.00 0.00 C ATOM 666 NH1 ARG A 42 6.773 -4.285 -21.052 1.00 0.00 N ATOM 667 NH2 ARG A 42 7.447 -2.465 -22.210 1.00 0.00 N ATOM 0 H ARG A 42 7.860 0.305 -15.998 1.00 0.00 H new ATOM 0 HA ARG A 42 7.995 -0.205 -18.907 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.474 -1.379 -16.543 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.077 -1.825 -18.190 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.994 -1.896 -17.669 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.101 -2.984 -16.626 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.657 -4.175 -18.707 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.923 -3.928 -18.653 1.00 0.00 H new ATOM 0 HE ARG A 42 8.431 -1.757 -20.050 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.727 -4.808 -20.178 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.337 -4.660 -21.894 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.928 -1.566 -22.241 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.011 -2.840 -23.053 1.00 0.00 H new ATOM 681 N ASP A 43 5.995 1.064 -19.685 1.00 0.00 N ATOM 682 CA ASP A 43 4.837 1.890 -20.145 1.00 0.00 C ATOM 683 C ASP A 43 3.704 0.980 -20.640 1.00 0.00 C ATOM 684 O ASP A 43 3.890 0.155 -21.514 1.00 0.00 O ATOM 685 CB ASP A 43 5.280 2.819 -21.274 1.00 0.00 C ATOM 686 CG ASP A 43 4.131 3.764 -21.628 1.00 0.00 C ATOM 687 OD1 ASP A 43 3.123 3.725 -20.942 1.00 0.00 O ATOM 688 OD2 ASP A 43 4.279 4.512 -22.580 1.00 0.00 O ATOM 0 H ASP A 43 6.636 0.773 -20.423 1.00 0.00 H new ATOM 0 HA ASP A 43 4.474 2.487 -19.308 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.156 3.391 -20.968 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.570 2.236 -22.148 1.00 0.00 H new ATOM 693 N LEU A 44 2.528 1.138 -20.094 1.00 0.00 N ATOM 694 CA LEU A 44 1.379 0.297 -20.539 1.00 0.00 C ATOM 695 C LEU A 44 0.484 1.099 -21.471 1.00 0.00 C ATOM 696 O LEU A 44 -0.606 0.677 -21.805 1.00 0.00 O ATOM 697 CB LEU A 44 0.563 -0.161 -19.328 1.00 0.00 C ATOM 698 CG LEU A 44 1.417 -0.105 -18.054 1.00 0.00 C ATOM 699 CD1 LEU A 44 2.784 -0.739 -18.302 1.00 0.00 C ATOM 700 CD2 LEU A 44 1.624 1.347 -17.611 1.00 0.00 C ATOM 0 H LEU A 44 2.313 1.813 -19.360 1.00 0.00 H new ATOM 0 HA LEU A 44 1.766 -0.576 -21.065 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.315 0.474 -19.213 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.203 -1.177 -19.488 1.00 0.00 H new ATOM 0 HG LEU A 44 0.891 -0.655 -17.274 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.378 -0.692 -17.389 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.654 -1.780 -18.597 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.297 -0.198 -19.097 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.232 1.368 -16.706 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.131 1.900 -18.402 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.657 1.807 -17.409 1.00 0.00 H new ATOM 712 N GLY A 45 0.929 2.247 -21.887 1.00 0.00 N ATOM 713 CA GLY A 45 0.092 3.084 -22.792 1.00 0.00 C ATOM 714 C GLY A 45 -0.066 4.471 -22.176 1.00 0.00 C ATOM 715 O GLY A 45 0.819 4.952 -21.494 1.00 0.00 O ATOM 0 H GLY A 45 1.836 2.645 -21.641 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.558 3.159 -23.775 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.885 2.622 -22.937 1.00 0.00 H new ATOM 719 N ALA A 46 -1.172 5.134 -22.390 1.00 0.00 N ATOM 720 CA ALA A 46 -1.338 6.482 -21.786 1.00 0.00 C ATOM 721 C ALA A 46 -2.147 6.364 -20.490 1.00 0.00 C ATOM 722 O ALA A 46 -1.689 6.732 -19.424 1.00 0.00 O ATOM 723 CB ALA A 46 -2.086 7.380 -22.774 1.00 0.00 C ATOM 0 H ALA A 46 -1.957 4.803 -22.950 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.361 6.911 -21.563 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.213 8.372 -22.340 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.514 7.459 -23.699 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.064 6.950 -22.988 1.00 0.00 H new ATOM 729 N ALA A 47 -3.343 5.835 -20.566 1.00 0.00 N ATOM 730 CA ALA A 47 -4.173 5.674 -19.338 1.00 0.00 C ATOM 731 C ALA A 47 -4.066 4.226 -18.845 1.00 0.00 C ATOM 732 O ALA A 47 -4.304 3.309 -19.606 1.00 0.00 O ATOM 733 CB ALA A 47 -5.636 5.973 -19.673 1.00 0.00 C ATOM 0 H ALA A 47 -3.779 5.508 -21.428 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.821 6.359 -18.567 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.246 5.856 -18.777 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.723 6.995 -20.041 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.982 5.281 -20.440 1.00 0.00 H new ATOM 739 N PRO A 48 -3.724 4.001 -17.598 1.00 0.00 N ATOM 740 CA PRO A 48 -3.609 2.629 -17.053 1.00 0.00 C ATOM 741 C PRO A 48 -4.978 2.021 -16.760 1.00 0.00 C ATOM 742 O PRO A 48 -5.844 2.656 -16.189 1.00 0.00 O ATOM 743 CB PRO A 48 -2.823 2.812 -15.757 1.00 0.00 C ATOM 744 CG PRO A 48 -3.146 4.195 -15.309 1.00 0.00 C ATOM 745 CD PRO A 48 -3.413 5.007 -16.576 1.00 0.00 C ATOM 0 HA PRO A 48 -3.128 1.951 -17.757 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.116 2.075 -15.009 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.753 2.690 -15.923 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.018 4.198 -14.655 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.320 4.622 -14.741 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.243 5.700 -16.436 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.544 5.602 -16.856 1.00 0.00 H new ATOM 753 N THR A 49 -5.172 0.796 -17.137 1.00 0.00 N ATOM 754 CA THR A 49 -6.478 0.114 -16.879 1.00 0.00 C ATOM 755 C THR A 49 -6.252 -0.993 -15.857 1.00 0.00 C ATOM 756 O THR A 49 -5.150 -1.186 -15.390 1.00 0.00 O ATOM 757 CB THR A 49 -7.003 -0.518 -18.165 1.00 0.00 C ATOM 758 OG1 THR A 49 -6.387 0.099 -19.286 1.00 0.00 O ATOM 759 CG2 THR A 49 -8.517 -0.335 -18.240 1.00 0.00 C ATOM 0 H THR A 49 -4.478 0.225 -17.619 1.00 0.00 H new ATOM 0 HA THR A 49 -7.200 0.844 -16.512 1.00 0.00 H new ATOM 0 HB THR A 49 -6.768 -1.582 -18.170 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.724 -0.309 -20.111 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.893 -0.786 -19.158 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.985 -0.817 -17.381 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.756 0.729 -18.234 1.00 0.00 H new ATOM 767 N ALA A 50 -7.269 -1.732 -15.501 1.00 0.00 N ATOM 768 CA ALA A 50 -7.042 -2.815 -14.507 1.00 0.00 C ATOM 769 C ALA A 50 -6.435 -4.045 -15.194 1.00 0.00 C ATOM 770 O ALA A 50 -5.404 -4.537 -14.787 1.00 0.00 O ATOM 771 CB ALA A 50 -8.380 -3.204 -13.870 1.00 0.00 C ATOM 0 H ALA A 50 -8.224 -1.636 -15.847 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.353 -2.457 -13.742 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.219 -3.998 -13.141 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.812 -2.336 -13.372 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.063 -3.556 -14.644 1.00 0.00 H new ATOM 777 N GLU A 51 -7.066 -4.557 -16.217 1.00 0.00 N ATOM 778 CA GLU A 51 -6.510 -5.764 -16.903 1.00 0.00 C ATOM 779 C GLU A 51 -5.159 -5.410 -17.512 1.00 0.00 C ATOM 780 O GLU A 51 -4.265 -6.226 -17.589 1.00 0.00 O ATOM 781 CB GLU A 51 -7.465 -6.217 -18.006 1.00 0.00 C ATOM 782 CG GLU A 51 -8.790 -6.670 -17.387 1.00 0.00 C ATOM 783 CD GLU A 51 -8.545 -7.829 -16.417 1.00 0.00 C ATOM 784 OE1 GLU A 51 -7.822 -8.741 -16.784 1.00 0.00 O ATOM 785 OE2 GLU A 51 -9.084 -7.785 -15.323 1.00 0.00 O ATOM 0 H GLU A 51 -7.937 -4.196 -16.607 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.390 -6.572 -16.182 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.640 -5.401 -18.707 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.019 -7.034 -18.573 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.259 -5.838 -16.862 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.480 -6.981 -18.171 1.00 0.00 H new ATOM 792 N THR A 52 -5.022 -4.196 -17.963 1.00 0.00 N ATOM 793 CA THR A 52 -3.722 -3.807 -18.579 1.00 0.00 C ATOM 794 C THR A 52 -2.670 -3.803 -17.475 1.00 0.00 C ATOM 795 O THR A 52 -1.701 -4.514 -17.539 1.00 0.00 O ATOM 796 CB THR A 52 -3.837 -2.415 -19.198 1.00 0.00 C ATOM 797 OG1 THR A 52 -4.196 -2.538 -20.568 1.00 0.00 O ATOM 798 CG2 THR A 52 -2.496 -1.695 -19.076 1.00 0.00 C ATOM 0 H THR A 52 -5.736 -3.469 -17.934 1.00 0.00 H new ATOM 0 HA THR A 52 -3.445 -4.509 -19.366 1.00 0.00 H new ATOM 0 HB THR A 52 -4.602 -1.841 -18.676 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.272 -1.646 -20.968 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.575 -0.701 -19.517 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.226 -1.605 -18.024 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.728 -2.264 -19.600 1.00 0.00 H new ATOM 806 N VAL A 53 -2.840 -2.990 -16.479 1.00 0.00 N ATOM 807 CA VAL A 53 -1.820 -2.936 -15.391 1.00 0.00 C ATOM 808 C VAL A 53 -1.501 -4.358 -14.926 1.00 0.00 C ATOM 809 O VAL A 53 -0.399 -4.660 -14.512 1.00 0.00 O ATOM 810 CB VAL A 53 -2.374 -2.117 -14.222 1.00 0.00 C ATOM 811 CG1 VAL A 53 -1.862 -2.683 -12.897 1.00 0.00 C ATOM 812 CG2 VAL A 53 -1.908 -0.667 -14.368 1.00 0.00 C ATOM 0 H VAL A 53 -3.635 -2.361 -16.366 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.908 -2.466 -15.760 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.463 -2.163 -14.230 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.261 -2.094 -12.071 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.186 -3.719 -12.794 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.773 -2.640 -12.880 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.297 -0.075 -13.540 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.819 -0.632 -14.358 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.276 -0.260 -15.310 1.00 0.00 H new ATOM 822 N ILE A 54 -2.452 -5.230 -15.004 1.00 0.00 N ATOM 823 CA ILE A 54 -2.210 -6.637 -14.584 1.00 0.00 C ATOM 824 C ILE A 54 -1.265 -7.359 -15.559 1.00 0.00 C ATOM 825 O ILE A 54 -0.299 -7.983 -15.152 1.00 0.00 O ATOM 826 CB ILE A 54 -3.539 -7.373 -14.533 1.00 0.00 C ATOM 827 CG1 ILE A 54 -4.243 -7.041 -13.216 1.00 0.00 C ATOM 828 CG2 ILE A 54 -3.276 -8.872 -14.629 1.00 0.00 C ATOM 829 CD1 ILE A 54 -5.665 -7.604 -13.231 1.00 0.00 C ATOM 0 H ILE A 54 -3.394 -5.034 -15.342 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.739 -6.628 -13.601 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.176 -7.067 -15.363 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.685 -7.461 -12.379 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.271 -5.961 -13.071 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.223 -9.411 -14.593 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.768 -9.093 -15.568 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.649 -9.186 -13.795 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.161 -7.364 -12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.222 -7.163 -14.058 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.627 -8.686 -13.355 1.00 0.00 H new ATOM 841 N ALA A 55 -1.557 -7.302 -16.836 1.00 0.00 N ATOM 842 CA ALA A 55 -0.707 -8.002 -17.846 1.00 0.00 C ATOM 843 C ALA A 55 0.664 -7.323 -17.955 1.00 0.00 C ATOM 844 O ALA A 55 1.668 -7.968 -18.194 1.00 0.00 O ATOM 845 CB ALA A 55 -1.406 -7.958 -19.212 1.00 0.00 C ATOM 0 H ALA A 55 -2.354 -6.796 -17.223 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.564 -9.036 -17.532 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.790 -8.468 -19.953 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.374 -8.455 -19.142 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.552 -6.921 -19.513 1.00 0.00 H new ATOM 851 N ALA A 56 0.712 -6.030 -17.830 1.00 0.00 N ATOM 852 CA ALA A 56 2.030 -5.359 -17.973 1.00 0.00 C ATOM 853 C ALA A 56 2.860 -5.641 -16.729 1.00 0.00 C ATOM 854 O ALA A 56 3.918 -6.227 -16.821 1.00 0.00 O ATOM 855 CB ALA A 56 1.803 -3.853 -18.106 1.00 0.00 C ATOM 0 H ALA A 56 -0.083 -5.420 -17.640 1.00 0.00 H new ATOM 0 HA ALA A 56 2.553 -5.730 -18.855 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.763 -3.348 -18.212 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.190 -3.654 -18.985 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.294 -3.482 -17.216 1.00 0.00 H new ATOM 861 N TYR A 57 2.430 -5.237 -15.565 1.00 0.00 N ATOM 862 CA TYR A 57 3.265 -5.499 -14.369 1.00 0.00 C ATOM 863 C TYR A 57 3.106 -6.956 -13.959 1.00 0.00 C ATOM 864 O TYR A 57 3.503 -7.354 -12.884 1.00 0.00 O ATOM 865 CB TYR A 57 2.832 -4.571 -13.228 1.00 0.00 C ATOM 866 CG TYR A 57 3.186 -3.134 -13.565 1.00 0.00 C ATOM 867 CD1 TYR A 57 4.518 -2.702 -13.494 1.00 0.00 C ATOM 868 CD2 TYR A 57 2.180 -2.227 -13.926 1.00 0.00 C ATOM 869 CE1 TYR A 57 4.842 -1.369 -13.788 1.00 0.00 C ATOM 870 CE2 TYR A 57 2.501 -0.896 -14.215 1.00 0.00 C ATOM 871 CZ TYR A 57 3.832 -0.465 -14.147 1.00 0.00 C ATOM 872 OH TYR A 57 4.151 0.849 -14.430 1.00 0.00 O ATOM 0 H TYR A 57 1.552 -4.746 -15.396 1.00 0.00 H new ATOM 0 HA TYR A 57 4.313 -5.306 -14.597 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.758 -4.661 -13.063 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.323 -4.867 -12.301 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.296 -3.396 -13.213 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.153 -2.557 -13.981 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.869 -1.039 -13.738 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.722 -0.201 -14.491 1.00 0.00 H new ATOM 0 HH TYR A 57 3.336 1.341 -14.662 1.00 0.00 H new ATOM 882 N GLN A 58 2.527 -7.758 -14.813 1.00 0.00 N ATOM 883 CA GLN A 58 2.342 -9.197 -14.481 1.00 0.00 C ATOM 884 C GLN A 58 3.708 -9.824 -14.200 1.00 0.00 C ATOM 885 O GLN A 58 3.899 -10.534 -13.232 1.00 0.00 O ATOM 886 CB GLN A 58 1.708 -9.903 -15.683 1.00 0.00 C ATOM 887 CG GLN A 58 0.595 -10.842 -15.227 1.00 0.00 C ATOM 888 CD GLN A 58 1.067 -11.650 -14.023 1.00 0.00 C ATOM 889 OE1 GLN A 58 0.736 -11.238 -12.834 1.00 0.00 O flip ATOM 890 NE2 GLN A 58 1.749 -12.645 -14.163 1.00 0.00 N flip ATOM 0 H GLN A 58 2.174 -7.476 -15.728 1.00 0.00 H new ATOM 0 HA GLN A 58 1.701 -9.299 -13.605 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.307 -9.164 -16.376 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.468 -10.467 -16.224 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.294 -10.268 -14.966 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.315 -11.512 -16.040 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.004 -12.961 -15.099 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.067 -13.165 -13.345 1.00 0.00 H new ATOM 899 N HIS A 59 4.657 -9.560 -15.051 1.00 0.00 N ATOM 900 CA HIS A 59 6.016 -10.118 -14.871 1.00 0.00 C ATOM 901 C HIS A 59 6.593 -9.624 -13.542 1.00 0.00 C ATOM 902 O HIS A 59 7.443 -10.255 -12.947 1.00 0.00 O ATOM 903 CB HIS A 59 6.884 -9.657 -16.043 1.00 0.00 C ATOM 904 CG HIS A 59 7.294 -8.225 -15.842 1.00 0.00 C ATOM 905 ND1 HIS A 59 8.035 -7.603 -14.868 1.00 0.00 N flip ATOM 906 CD2 HIS A 59 6.923 -7.225 -16.730 1.00 0.00 C flip ATOM 907 CE1 HIS A 59 8.121 -6.245 -15.146 1.00 0.00 C flip ATOM 908 NE2 HIS A 59 7.436 -6.069 -16.277 1.00 0.00 N flip ATOM 0 H HIS A 59 4.543 -8.971 -15.876 1.00 0.00 H new ATOM 0 HA HIS A 59 5.987 -11.207 -14.850 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.768 -10.290 -16.124 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.333 -9.759 -16.978 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.330 -7.353 -17.623 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.634 -5.491 -14.568 1.00 0.00 H new ATOM 0 HE2 HIS A 59 7.317 -5.168 -16.740 1.00 0.00 H new ATOM 917 N ALA A 60 6.128 -8.499 -13.069 1.00 0.00 N ATOM 918 CA ALA A 60 6.638 -7.963 -11.775 1.00 0.00 C ATOM 919 C ALA A 60 6.008 -8.753 -10.621 1.00 0.00 C ATOM 920 O ALA A 60 6.629 -8.994 -9.605 1.00 0.00 O ATOM 921 CB ALA A 60 6.263 -6.478 -11.655 1.00 0.00 C ATOM 0 H ALA A 60 5.416 -7.928 -13.524 1.00 0.00 H new ATOM 0 HA ALA A 60 7.723 -8.063 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.635 -6.084 -10.709 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.709 -5.922 -12.480 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.179 -6.373 -11.690 1.00 0.00 H new ATOM 927 N ILE A 61 4.781 -9.169 -10.772 1.00 0.00 N ATOM 928 CA ILE A 61 4.119 -9.946 -9.685 1.00 0.00 C ATOM 929 C ILE A 61 4.891 -11.247 -9.430 1.00 0.00 C ATOM 930 O ILE A 61 4.978 -11.718 -8.314 1.00 0.00 O ATOM 931 CB ILE A 61 2.676 -10.265 -10.099 1.00 0.00 C ATOM 932 CG1 ILE A 61 1.904 -8.952 -10.276 1.00 0.00 C ATOM 933 CG2 ILE A 61 1.997 -11.118 -9.024 1.00 0.00 C ATOM 934 CD1 ILE A 61 0.465 -9.240 -10.712 1.00 0.00 C ATOM 0 H ILE A 61 4.208 -9.005 -11.600 1.00 0.00 H new ATOM 0 HA ILE A 61 4.111 -9.357 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 61 2.683 -10.820 -11.037 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.903 -8.393 -9.340 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.399 -8.328 -11.020 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.974 -11.339 -9.327 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.547 -12.050 -8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.986 -10.573 -8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.073 -8.300 -10.834 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.473 -9.780 -11.659 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.031 -9.846 -9.953 1.00 0.00 H new ATOM 946 N ASP A 62 5.456 -11.830 -10.454 1.00 0.00 N ATOM 947 CA ASP A 62 6.223 -13.099 -10.276 1.00 0.00 C ATOM 948 C ASP A 62 7.442 -12.887 -9.366 1.00 0.00 C ATOM 949 O ASP A 62 7.819 -13.757 -8.609 1.00 0.00 O ATOM 950 CB ASP A 62 6.698 -13.586 -11.648 1.00 0.00 C ATOM 951 CG ASP A 62 7.305 -14.983 -11.516 1.00 0.00 C ATOM 952 OD1 ASP A 62 7.216 -15.546 -10.439 1.00 0.00 O ATOM 953 OD2 ASP A 62 7.853 -15.465 -12.495 1.00 0.00 O ATOM 0 H ASP A 62 5.419 -11.480 -11.411 1.00 0.00 H new ATOM 0 HA ASP A 62 5.572 -13.838 -9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.862 -13.607 -12.347 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.436 -12.895 -12.055 1.00 0.00 H new ATOM 958 N LYS A 63 8.051 -11.734 -9.423 1.00 0.00 N ATOM 959 CA LYS A 63 9.240 -11.412 -8.570 1.00 0.00 C ATOM 960 C LYS A 63 8.792 -10.997 -7.165 1.00 0.00 C ATOM 961 O LYS A 63 9.570 -10.971 -6.232 1.00 0.00 O ATOM 962 CB LYS A 63 10.029 -10.263 -9.216 1.00 0.00 C ATOM 963 CG LYS A 63 11.398 -10.119 -8.542 1.00 0.00 C ATOM 964 CD LYS A 63 12.182 -8.972 -9.194 1.00 0.00 C ATOM 965 CE LYS A 63 11.812 -7.642 -8.531 1.00 0.00 C ATOM 966 NZ LYS A 63 12.600 -7.482 -7.277 1.00 0.00 N ATOM 0 H LYS A 63 7.767 -10.976 -10.044 1.00 0.00 H new ATOM 0 HA LYS A 63 9.870 -12.298 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.158 -10.454 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.470 -9.332 -9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.270 -9.925 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.957 -11.050 -8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.253 -9.151 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.962 -8.930 -10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.016 -6.814 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.745 -7.617 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.352 -6.580 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.384 -8.266 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.615 -7.488 -7.502 1.00 0.00 H new ATOM 980 N LEU A 64 7.544 -10.672 -7.019 1.00 0.00 N ATOM 981 CA LEU A 64 7.061 -10.259 -5.674 1.00 0.00 C ATOM 982 C LEU A 64 7.352 -11.398 -4.708 1.00 0.00 C ATOM 983 O LEU A 64 8.322 -11.360 -3.975 1.00 0.00 O ATOM 984 CB LEU A 64 5.556 -9.981 -5.710 1.00 0.00 C ATOM 985 CG LEU A 64 4.992 -9.847 -4.288 1.00 0.00 C ATOM 986 CD1 LEU A 64 5.896 -8.987 -3.410 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.650 -9.152 -4.366 1.00 0.00 C ATOM 0 H LEU A 64 6.843 -10.673 -7.760 1.00 0.00 H new ATOM 0 HA LEU A 64 7.566 -9.346 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.364 -9.066 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.045 -10.789 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 64 4.914 -10.846 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.468 -8.912 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.884 -9.443 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.983 -7.990 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.235 -9.049 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.777 -8.165 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.970 -9.742 -4.981 1.00 0.00 H new ATOM 999 N VAL A 65 6.557 -12.416 -4.702 1.00 0.00 N ATOM 1000 CA VAL A 65 6.843 -13.547 -3.786 1.00 0.00 C ATOM 1001 C VAL A 65 6.470 -14.844 -4.481 1.00 0.00 C ATOM 1002 O VAL A 65 5.341 -15.033 -4.884 1.00 0.00 O ATOM 1003 CB VAL A 65 5.999 -13.387 -2.522 1.00 0.00 C ATOM 1004 CG1 VAL A 65 6.014 -14.676 -1.699 1.00 0.00 C ATOM 1005 CG2 VAL A 65 6.553 -12.251 -1.666 1.00 0.00 C ATOM 0 H VAL A 65 5.726 -12.519 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 65 7.900 -13.561 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 65 4.976 -13.162 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.408 -14.543 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.606 -15.493 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.039 -14.912 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.946 -12.143 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.582 -12.476 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.527 -11.321 -2.234 1.00 0.00 H new ATOM 1015 N ALA A 66 7.393 -15.752 -4.612 1.00 0.00 N ATOM 1016 CA ALA A 66 7.036 -17.033 -5.265 1.00 0.00 C ATOM 1017 C ALA A 66 6.806 -18.093 -4.184 1.00 0.00 C ATOM 1018 O ALA A 66 7.731 -18.600 -3.581 1.00 0.00 O ATOM 1019 CB ALA A 66 8.195 -17.455 -6.173 1.00 0.00 C ATOM 0 H ALA A 66 8.361 -15.664 -4.301 1.00 0.00 H new ATOM 0 HA ALA A 66 6.128 -16.923 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.949 -18.397 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.364 -16.687 -6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.098 -17.581 -5.576 1.00 0.00 H new ATOM 1025 N GLU A 67 5.569 -18.445 -3.957 1.00 0.00 N ATOM 1026 CA GLU A 67 5.252 -19.490 -2.943 1.00 0.00 C ATOM 1027 C GLU A 67 3.800 -19.942 -3.129 1.00 0.00 C ATOM 1028 O GLU A 67 2.922 -19.129 -3.336 1.00 0.00 O ATOM 1029 CB GLU A 67 5.458 -18.933 -1.528 1.00 0.00 C ATOM 1030 CG GLU A 67 6.342 -19.896 -0.731 1.00 0.00 C ATOM 1031 CD GLU A 67 5.661 -21.263 -0.652 1.00 0.00 C ATOM 1032 OE1 GLU A 67 4.519 -21.308 -0.222 1.00 0.00 O ATOM 1033 OE2 GLU A 67 6.288 -22.241 -1.024 1.00 0.00 O ATOM 0 H GLU A 67 4.759 -18.050 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 67 5.918 -20.343 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.924 -17.949 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.496 -18.807 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.318 -19.990 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.514 -19.504 0.272 1.00 0.00 H new ATOM 1040 N LYS A 68 3.530 -21.217 -3.028 1.00 0.00 N ATOM 1041 CA LYS A 68 2.121 -21.700 -3.177 1.00 0.00 C ATOM 1042 C LYS A 68 1.491 -21.102 -4.447 1.00 0.00 C ATOM 1043 O LYS A 68 2.041 -20.216 -5.073 1.00 0.00 O ATOM 1044 CB LYS A 68 1.334 -21.271 -1.922 1.00 0.00 C ATOM 1045 CG LYS A 68 -0.147 -21.702 -1.991 1.00 0.00 C ATOM 1046 CD LYS A 68 -0.262 -23.224 -2.154 1.00 0.00 C ATOM 1047 CE LYS A 68 -1.717 -23.657 -1.983 1.00 0.00 C ATOM 1048 NZ LYS A 68 -1.985 -24.829 -2.864 1.00 0.00 N ATOM 0 H LYS A 68 4.221 -21.945 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 68 2.097 -22.785 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.797 -21.707 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.391 -20.188 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.665 -21.388 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.637 -21.204 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.102 -23.522 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.365 -23.726 -1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.912 -23.917 -0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.386 -22.835 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.975 -25.128 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.813 -24.565 -3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.354 -25.613 -2.601 1.00 0.00 H new ATOM 1062 N GLY A 69 0.335 -21.571 -4.832 1.00 0.00 N ATOM 1063 CA GLY A 69 -0.327 -21.014 -6.040 1.00 0.00 C ATOM 1064 C GLY A 69 -1.169 -19.813 -5.613 1.00 0.00 C ATOM 1065 O GLY A 69 -2.315 -19.950 -5.230 1.00 0.00 O ATOM 0 H GLY A 69 -0.178 -22.316 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.418 -20.713 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.955 -21.770 -6.512 1.00 0.00 H new ATOM 1069 N TYR A 70 -0.609 -18.637 -5.665 1.00 0.00 N ATOM 1070 CA TYR A 70 -1.377 -17.430 -5.248 1.00 0.00 C ATOM 1071 C TYR A 70 -2.787 -17.503 -5.834 1.00 0.00 C ATOM 1072 O TYR A 70 -3.009 -18.088 -6.877 1.00 0.00 O ATOM 1073 CB TYR A 70 -0.663 -16.169 -5.755 1.00 0.00 C ATOM 1074 CG TYR A 70 0.436 -15.745 -4.793 1.00 0.00 C ATOM 1075 CD1 TYR A 70 1.031 -16.679 -3.928 1.00 0.00 C ATOM 1076 CD2 TYR A 70 0.861 -14.399 -4.764 1.00 0.00 C ATOM 1077 CE1 TYR A 70 2.032 -16.272 -3.040 1.00 0.00 C ATOM 1078 CE2 TYR A 70 1.864 -13.994 -3.869 1.00 0.00 C ATOM 1079 CZ TYR A 70 2.444 -14.934 -3.005 1.00 0.00 C ATOM 1080 OH TYR A 70 3.418 -14.544 -2.113 1.00 0.00 O ATOM 0 H TYR A 70 0.345 -18.459 -5.978 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.441 -17.390 -4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.237 -16.359 -6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.384 -15.359 -5.870 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.715 -17.712 -3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.413 -13.679 -5.432 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.489 -16.993 -2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.187 -12.964 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 70 3.375 -15.109 -1.314 1.00 0.00 H new ATOM 1090 N GLN A 71 -3.742 -16.925 -5.161 1.00 0.00 N ATOM 1091 CA GLN A 71 -5.143 -16.970 -5.662 1.00 0.00 C ATOM 1092 C GLN A 71 -5.285 -16.081 -6.893 1.00 0.00 C ATOM 1093 O GLN A 71 -5.375 -16.555 -8.008 1.00 0.00 O ATOM 1094 CB GLN A 71 -6.086 -16.463 -4.570 1.00 0.00 C ATOM 1095 CG GLN A 71 -7.535 -16.702 -4.998 1.00 0.00 C ATOM 1096 CD GLN A 71 -8.482 -16.135 -3.940 1.00 0.00 C ATOM 1097 OE1 GLN A 71 -8.698 -16.746 -2.912 1.00 0.00 O ATOM 1098 NE2 GLN A 71 -9.061 -14.985 -4.149 1.00 0.00 N ATOM 0 H GLN A 71 -3.612 -16.422 -4.283 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.395 -17.997 -5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.883 -16.978 -3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.918 -15.401 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.723 -16.228 -5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.715 -17.769 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.880 -14.472 -5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.695 -14.599 -3.450 1.00 0.00 H new ATOM 1107 N SER A 72 -5.317 -14.791 -6.707 1.00 0.00 N ATOM 1108 CA SER A 72 -5.463 -13.886 -7.874 1.00 0.00 C ATOM 1109 C SER A 72 -5.154 -12.449 -7.461 1.00 0.00 C ATOM 1110 O SER A 72 -4.942 -12.147 -6.303 1.00 0.00 O ATOM 1111 CB SER A 72 -6.886 -13.969 -8.417 1.00 0.00 C ATOM 1112 OG SER A 72 -7.775 -13.339 -7.508 1.00 0.00 O ATOM 0 H SER A 72 -5.249 -14.328 -5.801 1.00 0.00 H new ATOM 0 HA SER A 72 -4.763 -14.193 -8.651 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.943 -13.486 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.172 -15.011 -8.560 1.00 0.00 H new ATOM 0 HG SER A 72 -8.690 -13.390 -7.856 1.00 0.00 H new ATOM 1118 N TRP A 73 -5.138 -11.567 -8.411 1.00 0.00 N ATOM 1119 CA TRP A 73 -4.852 -10.143 -8.094 1.00 0.00 C ATOM 1120 C TRP A 73 -5.766 -9.226 -8.909 1.00 0.00 C ATOM 1121 O TRP A 73 -6.190 -9.557 -9.999 1.00 0.00 O ATOM 1122 CB TRP A 73 -3.391 -9.837 -8.404 1.00 0.00 C ATOM 1123 CG TRP A 73 -2.892 -10.758 -9.469 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -3.115 -10.613 -10.795 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -2.081 -11.957 -9.319 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -2.481 -11.645 -11.465 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -1.835 -12.500 -10.599 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -1.540 -12.615 -8.205 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -1.075 -13.659 -10.768 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -0.774 -13.778 -8.367 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -0.539 -14.300 -9.647 1.00 0.00 C ATOM 0 H TRP A 73 -5.310 -11.768 -9.396 1.00 0.00 H new ATOM 0 HA TRP A 73 -5.040 -9.967 -7.035 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -3.289 -8.802 -8.729 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.788 -9.949 -7.503 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -3.692 -9.824 -11.254 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -2.491 -11.759 -12.479 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.715 -12.223 -7.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -0.903 -14.057 -11.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.363 -14.275 -7.501 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.054 -15.195 -9.767 1.00 0.00 H new ATOM 1142 N ASP A 74 -6.079 -8.079 -8.372 1.00 0.00 N ATOM 1143 CA ASP A 74 -6.978 -7.132 -9.093 1.00 0.00 C ATOM 1144 C ASP A 74 -6.484 -5.705 -8.892 1.00 0.00 C ATOM 1145 O ASP A 74 -5.739 -5.418 -7.978 1.00 0.00 O ATOM 1146 CB ASP A 74 -8.400 -7.245 -8.541 1.00 0.00 C ATOM 1147 CG ASP A 74 -9.356 -6.470 -9.450 1.00 0.00 C ATOM 1148 OD1 ASP A 74 -8.892 -5.933 -10.443 1.00 0.00 O ATOM 1149 OD2 ASP A 74 -10.533 -6.425 -9.137 1.00 0.00 O ATOM 0 H ASP A 74 -5.750 -7.755 -7.462 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.975 -7.380 -10.154 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.700 -8.292 -8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.442 -6.848 -7.527 1.00 0.00 H new ATOM 1154 N VAL A 75 -6.879 -4.814 -9.756 1.00 0.00 N ATOM 1155 CA VAL A 75 -6.420 -3.404 -9.641 1.00 0.00 C ATOM 1156 C VAL A 75 -7.551 -2.517 -9.122 1.00 0.00 C ATOM 1157 O VAL A 75 -8.716 -2.821 -9.281 1.00 0.00 O ATOM 1158 CB VAL A 75 -5.980 -2.901 -11.011 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.005 -1.734 -10.841 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -5.298 -4.037 -11.775 1.00 0.00 C ATOM 0 H VAL A 75 -7.503 -5.003 -10.540 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.585 -3.363 -8.942 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.851 -2.561 -11.571 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.692 -1.376 -11.822 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.496 -0.926 -10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.132 -2.068 -10.281 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.983 -3.679 -12.755 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.427 -4.380 -11.216 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.998 -4.864 -11.899 1.00 0.00 H new ATOM 1170 N ILE A 76 -7.210 -1.416 -8.503 1.00 0.00 N ATOM 1171 CA ILE A 76 -8.258 -0.502 -7.972 1.00 0.00 C ATOM 1172 C ILE A 76 -8.036 0.903 -8.545 1.00 0.00 C ATOM 1173 O ILE A 76 -7.205 1.651 -8.068 1.00 0.00 O ATOM 1174 CB ILE A 76 -8.151 -0.438 -6.449 1.00 0.00 C ATOM 1175 CG1 ILE A 76 -8.132 -1.855 -5.872 1.00 0.00 C ATOM 1176 CG2 ILE A 76 -9.359 0.315 -5.895 1.00 0.00 C ATOM 1177 CD1 ILE A 76 -7.759 -1.788 -4.390 1.00 0.00 C ATOM 0 H ILE A 76 -6.249 -1.113 -8.344 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.243 -0.871 -8.257 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.231 0.077 -6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.109 -2.323 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.414 -2.471 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.290 0.365 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.377 1.325 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.274 -0.207 -6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.744 -2.795 -3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.773 -1.336 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.494 -1.185 -3.857 1.00 0.00 H new ATOM 1189 N SER A 77 -8.768 1.257 -9.569 1.00 0.00 N ATOM 1190 CA SER A 77 -8.604 2.609 -10.183 1.00 0.00 C ATOM 1191 C SER A 77 -9.877 3.430 -9.969 1.00 0.00 C ATOM 1192 O SER A 77 -10.977 2.927 -10.070 1.00 0.00 O ATOM 1193 CB SER A 77 -8.352 2.446 -11.684 1.00 0.00 C ATOM 1194 OG SER A 77 -7.228 1.599 -11.884 1.00 0.00 O ATOM 0 H SER A 77 -9.474 0.667 -10.008 1.00 0.00 H new ATOM 0 HA SER A 77 -7.763 3.123 -9.718 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.232 2.022 -12.168 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.174 3.419 -12.142 1.00 0.00 H new ATOM 0 HG SER A 77 -7.066 1.492 -12.845 1.00 0.00 H new ATOM 1200 N LEU A 78 -9.732 4.697 -9.676 1.00 0.00 N ATOM 1201 CA LEU A 78 -10.927 5.560 -9.456 1.00 0.00 C ATOM 1202 C LEU A 78 -11.043 6.576 -10.595 1.00 0.00 C ATOM 1203 O LEU A 78 -10.132 7.333 -10.860 1.00 0.00 O ATOM 1204 CB LEU A 78 -10.782 6.299 -8.126 1.00 0.00 C ATOM 1205 CG LEU A 78 -11.718 5.673 -7.091 1.00 0.00 C ATOM 1206 CD1 LEU A 78 -11.416 4.179 -6.965 1.00 0.00 C ATOM 1207 CD2 LEU A 78 -11.504 6.349 -5.734 1.00 0.00 C ATOM 0 H LEU A 78 -8.834 5.171 -9.580 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.823 4.940 -9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.750 6.246 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.020 7.355 -8.256 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.752 5.810 -7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.084 3.734 -6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.567 3.695 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.382 4.042 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.171 5.903 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.470 6.212 -5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.719 7.414 -5.820 1.00 0.00 H new ATOM 1219 N ARG A 79 -12.158 6.603 -11.265 1.00 0.00 N ATOM 1220 CA ARG A 79 -12.330 7.575 -12.383 1.00 0.00 C ATOM 1221 C ARG A 79 -13.141 8.782 -11.888 1.00 0.00 C ATOM 1222 O ARG A 79 -14.041 8.650 -11.081 1.00 0.00 O ATOM 1223 CB ARG A 79 -13.067 6.893 -13.542 1.00 0.00 C ATOM 1224 CG ARG A 79 -12.361 5.581 -13.913 1.00 0.00 C ATOM 1225 CD ARG A 79 -10.999 5.877 -14.548 1.00 0.00 C ATOM 1226 NE ARG A 79 -10.474 4.636 -15.188 1.00 0.00 N ATOM 1227 CZ ARG A 79 -10.819 4.335 -16.411 1.00 0.00 C ATOM 1228 NH1 ARG A 79 -11.631 5.115 -17.070 1.00 0.00 N ATOM 1229 NH2 ARG A 79 -10.357 3.251 -16.973 1.00 0.00 N ATOM 0 H ARG A 79 -12.959 5.996 -11.089 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.354 7.915 -12.729 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.100 6.692 -13.259 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.096 7.557 -14.406 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.230 4.965 -13.023 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.978 5.011 -14.607 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.095 6.670 -15.290 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.301 6.233 -13.790 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.845 4.022 -14.670 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.996 5.960 -16.630 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.901 4.880 -18.025 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.726 2.638 -16.457 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.627 3.017 -17.928 1.00 0.00 H new ATOM 1243 N ALA A 80 -12.829 9.955 -12.371 1.00 0.00 N ATOM 1244 CA ALA A 80 -13.576 11.178 -11.942 1.00 0.00 C ATOM 1245 C ALA A 80 -14.937 11.213 -12.646 1.00 0.00 C ATOM 1246 O ALA A 80 -15.860 11.881 -12.223 1.00 0.00 O ATOM 1247 CB ALA A 80 -12.766 12.417 -12.323 1.00 0.00 C ATOM 0 H ALA A 80 -12.085 10.122 -13.048 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.729 11.161 -10.863 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.304 13.313 -12.013 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.797 12.386 -11.825 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.618 12.437 -13.403 1.00 0.00 H new ATOM 1253 N ASP A 81 -15.053 10.489 -13.718 1.00 0.00 N ATOM 1254 CA ASP A 81 -16.344 10.455 -14.468 1.00 0.00 C ATOM 1255 C ASP A 81 -17.224 9.340 -13.898 1.00 0.00 C ATOM 1256 O ASP A 81 -18.147 8.874 -14.541 1.00 0.00 O ATOM 1257 CB ASP A 81 -16.077 10.202 -15.957 1.00 0.00 C ATOM 1258 CG ASP A 81 -15.440 8.823 -16.146 1.00 0.00 C ATOM 1259 OD1 ASP A 81 -15.441 8.054 -15.201 1.00 0.00 O ATOM 1260 OD2 ASP A 81 -14.959 8.562 -17.238 1.00 0.00 O ATOM 0 H ASP A 81 -14.309 9.915 -14.113 1.00 0.00 H new ATOM 0 HA ASP A 81 -16.854 11.413 -14.362 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -17.010 10.261 -16.518 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.418 10.974 -16.353 1.00 0.00 H new ATOM 1265 N ASN A 82 -16.949 8.916 -12.690 1.00 0.00 N ATOM 1266 CA ASN A 82 -17.772 7.835 -12.067 1.00 0.00 C ATOM 1267 C ASN A 82 -18.219 8.255 -10.651 1.00 0.00 C ATOM 1268 O ASN A 82 -17.419 8.732 -9.871 1.00 0.00 O ATOM 1269 CB ASN A 82 -16.934 6.556 -11.991 1.00 0.00 C ATOM 1270 CG ASN A 82 -17.041 5.814 -13.327 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -18.098 5.768 -13.924 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -15.986 5.233 -13.829 1.00 0.00 N ATOM 0 H ASN A 82 -16.190 9.272 -12.108 1.00 0.00 H new ATOM 0 HA ASN A 82 -18.661 7.659 -12.672 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.893 6.799 -11.777 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.287 5.922 -11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.050 4.742 -14.721 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.097 5.270 -13.330 1.00 0.00 H new ATOM 1279 N PRO A 83 -19.479 8.065 -10.304 1.00 0.00 N ATOM 1280 CA PRO A 83 -20.004 8.417 -8.949 1.00 0.00 C ATOM 1281 C PRO A 83 -19.559 7.398 -7.889 1.00 0.00 C ATOM 1282 O PRO A 83 -19.835 7.534 -6.715 1.00 0.00 O ATOM 1283 CB PRO A 83 -21.524 8.373 -9.124 1.00 0.00 C ATOM 1284 CG PRO A 83 -21.763 7.417 -10.244 1.00 0.00 C ATOM 1285 CD PRO A 83 -20.540 7.497 -11.159 1.00 0.00 C ATOM 0 HA PRO A 83 -19.637 9.384 -8.604 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -22.016 8.039 -8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -21.922 9.360 -9.358 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -21.898 6.404 -9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -22.671 7.677 -10.788 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -20.262 6.513 -11.537 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -20.733 8.129 -12.026 1.00 0.00 H new ATOM 1293 N GLN A 84 -18.890 6.369 -8.321 1.00 0.00 N ATOM 1294 CA GLN A 84 -18.440 5.315 -7.364 1.00 0.00 C ATOM 1295 C GLN A 84 -17.185 5.795 -6.628 1.00 0.00 C ATOM 1296 O GLN A 84 -16.604 5.078 -5.843 1.00 0.00 O ATOM 1297 CB GLN A 84 -18.126 4.017 -8.114 1.00 0.00 C ATOM 1298 CG GLN A 84 -18.488 2.821 -7.227 1.00 0.00 C ATOM 1299 CD GLN A 84 -18.191 1.514 -7.970 1.00 0.00 C ATOM 1300 OE1 GLN A 84 -17.823 1.528 -9.126 1.00 0.00 O ATOM 1301 NE2 GLN A 84 -18.343 0.374 -7.346 1.00 0.00 N ATOM 0 H GLN A 84 -18.633 6.209 -9.295 1.00 0.00 H new ATOM 0 HA GLN A 84 -19.238 5.125 -6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -18.689 3.977 -9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.069 3.982 -8.378 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -17.918 2.860 -6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.543 2.864 -6.956 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -18.652 0.362 -6.374 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -18.152 -0.503 -7.831 1.00 0.00 H new ATOM 1310 N LYS A 85 -16.766 7.006 -6.863 1.00 0.00 N ATOM 1311 CA LYS A 85 -15.554 7.518 -6.162 1.00 0.00 C ATOM 1312 C LYS A 85 -15.940 8.015 -4.762 1.00 0.00 C ATOM 1313 O LYS A 85 -15.137 8.015 -3.849 1.00 0.00 O ATOM 1314 CB LYS A 85 -14.953 8.673 -6.969 1.00 0.00 C ATOM 1315 CG LYS A 85 -15.935 9.847 -6.983 1.00 0.00 C ATOM 1316 CD LYS A 85 -15.442 10.923 -7.954 1.00 0.00 C ATOM 1317 CE LYS A 85 -14.368 11.777 -7.278 1.00 0.00 C ATOM 1318 NZ LYS A 85 -14.962 13.076 -6.853 1.00 0.00 N ATOM 0 H LYS A 85 -17.207 7.662 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.821 6.717 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.004 8.983 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -14.742 8.348 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.925 9.502 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.031 10.265 -5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.037 10.457 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.275 11.552 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.960 11.251 -6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.540 11.951 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.201 13.744 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.534 13.466 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.565 12.926 -6.019 1.00 0.00 H new ATOM 1332 N GLU A 86 -17.166 8.435 -4.588 1.00 0.00 N ATOM 1333 CA GLU A 86 -17.605 8.928 -3.246 1.00 0.00 C ATOM 1334 C GLU A 86 -17.936 7.736 -2.338 1.00 0.00 C ATOM 1335 O GLU A 86 -17.453 7.635 -1.223 1.00 0.00 O ATOM 1336 CB GLU A 86 -18.844 9.808 -3.410 1.00 0.00 C ATOM 1337 CG GLU A 86 -18.494 11.024 -4.274 1.00 0.00 C ATOM 1338 CD GLU A 86 -17.413 11.858 -3.580 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -17.261 11.715 -2.378 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -16.761 12.629 -4.264 1.00 0.00 O ATOM 0 H GLU A 86 -17.882 8.458 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.802 9.510 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -19.649 9.238 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -19.204 10.133 -2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.142 10.697 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.384 11.631 -4.441 1.00 0.00 H new ATOM 1347 N ALA A 87 -18.751 6.827 -2.803 1.00 0.00 N ATOM 1348 CA ALA A 87 -19.110 5.642 -1.978 1.00 0.00 C ATOM 1349 C ALA A 87 -17.859 4.797 -1.747 1.00 0.00 C ATOM 1350 O ALA A 87 -17.761 4.078 -0.773 1.00 0.00 O ATOM 1351 CB ALA A 87 -20.172 4.808 -2.702 1.00 0.00 C ATOM 0 H ALA A 87 -19.185 6.857 -3.725 1.00 0.00 H new ATOM 0 HA ALA A 87 -19.512 5.972 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -20.431 3.942 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -21.062 5.415 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.779 4.473 -3.662 1.00 0.00 H new ATOM 1357 N LEU A 88 -16.899 4.863 -2.634 1.00 0.00 N ATOM 1358 CA LEU A 88 -15.674 4.042 -2.444 1.00 0.00 C ATOM 1359 C LEU A 88 -14.957 4.518 -1.191 1.00 0.00 C ATOM 1360 O LEU A 88 -14.188 3.789 -0.607 1.00 0.00 O ATOM 1361 CB LEU A 88 -14.715 4.146 -3.639 1.00 0.00 C ATOM 1362 CG LEU A 88 -15.138 3.134 -4.710 1.00 0.00 C ATOM 1363 CD1 LEU A 88 -14.505 3.488 -6.063 1.00 0.00 C ATOM 1364 CD2 LEU A 88 -14.674 1.731 -4.300 1.00 0.00 C ATOM 0 H LEU A 88 -16.913 5.445 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 88 -15.978 2.999 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.732 5.156 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.692 3.949 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.224 3.160 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.816 2.759 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.830 4.483 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -13.419 3.474 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.975 1.011 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.589 1.721 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.128 1.462 -3.347 1.00 0.00 H new ATOM 1376 N ARG A 89 -15.175 5.736 -0.769 1.00 0.00 N ATOM 1377 CA ARG A 89 -14.461 6.192 0.450 1.00 0.00 C ATOM 1378 C ARG A 89 -14.862 5.305 1.630 1.00 0.00 C ATOM 1379 O ARG A 89 -14.054 4.649 2.195 1.00 0.00 O ATOM 1380 CB ARG A 89 -14.863 7.632 0.754 1.00 0.00 C ATOM 1381 CG ARG A 89 -14.402 7.995 2.164 1.00 0.00 C ATOM 1382 CD ARG A 89 -14.024 9.470 2.209 1.00 0.00 C ATOM 1383 NE ARG A 89 -15.229 10.306 1.933 1.00 0.00 N ATOM 1384 CZ ARG A 89 -16.135 10.476 2.857 1.00 0.00 C ATOM 1385 NH1 ARG A 89 -15.989 9.913 4.024 1.00 0.00 N ATOM 1386 NH2 ARG A 89 -17.188 11.208 2.613 1.00 0.00 N ATOM 0 H ARG A 89 -15.799 6.415 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 89 -13.385 6.131 0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.415 8.309 0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.944 7.746 0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.196 7.790 2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.548 7.381 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.612 9.720 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.248 9.679 1.473 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.345 10.746 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.167 9.340 4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.697 10.046 4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -17.303 11.647 1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.896 11.340 3.336 1.00 0.00 H new ATOM 1400 N GLU A 90 -16.105 5.264 1.979 1.00 0.00 N ATOM 1401 CA GLU A 90 -16.522 4.381 3.137 1.00 0.00 C ATOM 1402 C GLU A 90 -16.180 2.919 2.805 1.00 0.00 C ATOM 1403 O GLU A 90 -15.960 2.077 3.659 1.00 0.00 O ATOM 1404 CB GLU A 90 -18.021 4.515 3.401 1.00 0.00 C ATOM 1405 CG GLU A 90 -18.392 3.688 4.635 1.00 0.00 C ATOM 1406 CD GLU A 90 -19.901 3.767 4.866 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -20.572 4.382 4.054 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -20.360 3.209 5.849 1.00 0.00 O ATOM 0 H GLU A 90 -16.858 5.788 1.533 1.00 0.00 H new ATOM 0 HA GLU A 90 -15.985 4.692 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -18.282 5.561 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -18.587 4.172 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -18.088 2.650 4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.859 4.061 5.510 1.00 0.00 H new ATOM 1415 N LYS A 91 -16.145 2.661 1.552 1.00 0.00 N ATOM 1416 CA LYS A 91 -15.834 1.285 1.076 1.00 0.00 C ATOM 1417 C LYS A 91 -14.404 0.873 1.458 1.00 0.00 C ATOM 1418 O LYS A 91 -14.176 -0.235 1.896 1.00 0.00 O ATOM 1419 CB LYS A 91 -15.974 1.205 -0.439 1.00 0.00 C ATOM 1420 CG LYS A 91 -16.092 -0.258 -0.876 1.00 0.00 C ATOM 1421 CD LYS A 91 -17.562 -0.694 -0.818 1.00 0.00 C ATOM 1422 CE LYS A 91 -17.688 -2.159 -1.244 1.00 0.00 C ATOM 1423 NZ LYS A 91 -17.701 -3.028 -0.030 1.00 0.00 N ATOM 0 H LYS A 91 -16.319 3.344 0.815 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.541 0.607 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.854 1.762 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.111 1.668 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.706 -0.378 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.488 -0.892 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.949 -0.566 0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.164 -0.063 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.602 -2.305 -1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.856 -2.434 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.787 -4.024 -0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.817 -2.895 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.509 -2.771 0.572 1.00 0.00 H new ATOM 1437 N PHE A 92 -13.443 1.748 1.336 1.00 0.00 N ATOM 1438 CA PHE A 92 -12.040 1.382 1.715 1.00 0.00 C ATOM 1439 C PHE A 92 -11.648 2.019 3.038 1.00 0.00 C ATOM 1440 O PHE A 92 -10.704 1.621 3.692 1.00 0.00 O ATOM 1441 CB PHE A 92 -11.091 1.898 0.652 1.00 0.00 C ATOM 1442 CG PHE A 92 -10.696 0.768 -0.242 1.00 0.00 C ATOM 1443 CD1 PHE A 92 -10.059 -0.360 0.289 1.00 0.00 C ATOM 1444 CD2 PHE A 92 -10.983 0.848 -1.598 1.00 0.00 C ATOM 1445 CE1 PHE A 92 -9.707 -1.420 -0.549 1.00 0.00 C ATOM 1446 CE2 PHE A 92 -10.645 -0.193 -2.441 1.00 0.00 C ATOM 1447 CZ PHE A 92 -10.003 -1.340 -1.925 1.00 0.00 C ATOM 0 H PHE A 92 -13.564 2.700 0.991 1.00 0.00 H new ATOM 0 HA PHE A 92 -11.984 0.297 1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -11.570 2.687 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -10.208 2.336 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.840 -0.410 1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.471 1.726 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.213 -2.292 -0.147 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.872 -0.130 -3.495 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.739 -2.155 -2.583 1.00 0.00 H new ATOM 1457 N LEU A 93 -12.338 3.041 3.397 1.00 0.00 N ATOM 1458 CA LEU A 93 -12.002 3.784 4.643 1.00 0.00 C ATOM 1459 C LEU A 93 -12.682 3.155 5.843 1.00 0.00 C ATOM 1460 O LEU A 93 -12.681 3.724 6.916 1.00 0.00 O ATOM 1461 CB LEU A 93 -12.463 5.251 4.521 1.00 0.00 C ATOM 1462 CG LEU A 93 -11.425 6.220 5.103 1.00 0.00 C ATOM 1463 CD1 LEU A 93 -11.144 5.896 6.570 1.00 0.00 C ATOM 1464 CD2 LEU A 93 -10.129 6.109 4.315 1.00 0.00 C ATOM 0 H LEU A 93 -13.136 3.409 2.880 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.922 3.743 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.639 5.492 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.413 5.379 5.041 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.822 7.233 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.405 6.595 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.066 5.982 7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.760 4.879 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.392 6.797 4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.750 5.089 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.315 6.361 3.271 1.00 0.00 H new ATOM 1476 N ASN A 94 -13.262 1.990 5.709 1.00 0.00 N ATOM 1477 CA ASN A 94 -13.913 1.373 6.888 1.00 0.00 C ATOM 1478 C ASN A 94 -12.916 0.420 7.548 1.00 0.00 C ATOM 1479 O ASN A 94 -11.929 0.032 6.955 1.00 0.00 O ATOM 1480 CB ASN A 94 -15.145 0.583 6.439 1.00 0.00 C ATOM 1481 CG ASN A 94 -14.684 -0.668 5.693 1.00 0.00 C ATOM 1482 OD1 ASN A 94 -13.533 -0.776 5.323 1.00 0.00 O ATOM 1483 ND2 ASN A 94 -15.535 -1.629 5.460 1.00 0.00 N ATOM 0 H ASN A 94 -13.310 1.451 4.845 1.00 0.00 H new ATOM 0 HA ASN A 94 -14.220 2.147 7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -15.751 0.306 7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.772 1.197 5.793 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -15.233 -2.470 4.968 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -16.503 -1.540 5.770 1.00 0.00 H new ATOM 1490 N GLU A 95 -13.158 0.036 8.765 1.00 0.00 N ATOM 1491 CA GLU A 95 -12.214 -0.894 9.447 1.00 0.00 C ATOM 1492 C GLU A 95 -12.443 -2.329 8.953 1.00 0.00 C ATOM 1493 O GLU A 95 -13.527 -2.865 9.053 1.00 0.00 O ATOM 1494 CB GLU A 95 -12.448 -0.820 10.964 1.00 0.00 C ATOM 1495 CG GLU A 95 -13.913 -1.146 11.278 1.00 0.00 C ATOM 1496 CD GLU A 95 -14.228 -0.764 12.726 1.00 0.00 C ATOM 1497 OE1 GLU A 95 -13.302 -0.414 13.441 1.00 0.00 O ATOM 1498 OE2 GLU A 95 -15.388 -0.825 13.094 1.00 0.00 O ATOM 0 H GLU A 95 -13.965 0.323 9.319 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.188 -0.606 9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.791 -1.522 11.478 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.200 0.176 11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.570 -0.604 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.100 -2.209 11.123 1.00 0.00 H new ATOM 1505 N HIS A 96 -11.429 -2.961 8.435 1.00 0.00 N ATOM 1506 CA HIS A 96 -11.593 -4.369 7.966 1.00 0.00 C ATOM 1507 C HIS A 96 -10.351 -5.159 8.402 1.00 0.00 C ATOM 1508 O HIS A 96 -9.238 -4.679 8.296 1.00 0.00 O ATOM 1509 CB HIS A 96 -11.746 -4.409 6.432 1.00 0.00 C ATOM 1510 CG HIS A 96 -10.382 -4.297 5.822 1.00 0.00 C ATOM 1511 ND1 HIS A 96 -9.480 -3.358 6.291 1.00 0.00 N ATOM 1512 CD2 HIS A 96 -9.694 -5.043 4.877 1.00 0.00 C ATOM 1513 CE1 HIS A 96 -8.322 -3.567 5.666 1.00 0.00 C ATOM 1514 NE2 HIS A 96 -8.405 -4.568 4.801 1.00 0.00 N ATOM 0 H HIS A 96 -10.496 -2.568 8.315 1.00 0.00 H new ATOM 0 HA HIS A 96 -12.490 -4.810 8.400 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -12.226 -5.337 6.122 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -12.383 -3.592 6.092 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -9.668 -2.637 6.988 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.101 -5.859 4.298 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -7.425 -2.991 5.843 1.00 0.00 H new ATOM 1522 N THR A 97 -10.528 -6.354 8.906 1.00 0.00 N ATOM 1523 CA THR A 97 -9.349 -7.152 9.355 1.00 0.00 C ATOM 1524 C THR A 97 -9.454 -8.580 8.835 1.00 0.00 C ATOM 1525 O THR A 97 -10.335 -9.327 9.206 1.00 0.00 O ATOM 1526 CB THR A 97 -9.305 -7.182 10.882 1.00 0.00 C ATOM 1527 OG1 THR A 97 -9.249 -5.850 11.382 1.00 0.00 O ATOM 1528 CG2 THR A 97 -8.069 -7.958 11.342 1.00 0.00 C ATOM 0 H THR A 97 -11.433 -6.809 9.025 1.00 0.00 H new ATOM 0 HA THR A 97 -8.442 -6.690 8.965 1.00 0.00 H new ATOM 0 HB THR A 97 -10.201 -7.672 11.263 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.222 -5.869 12.361 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.037 -7.979 12.431 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.117 -8.978 10.960 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.171 -7.470 10.963 1.00 0.00 H new ATOM 1536 N HIS A 98 -8.543 -8.958 7.992 1.00 0.00 N ATOM 1537 CA HIS A 98 -8.569 -10.347 7.453 1.00 0.00 C ATOM 1538 C HIS A 98 -7.459 -11.155 8.114 1.00 0.00 C ATOM 1539 O HIS A 98 -6.540 -10.603 8.685 1.00 0.00 O ATOM 1540 CB HIS A 98 -8.388 -10.332 5.940 1.00 0.00 C ATOM 1541 CG HIS A 98 -7.575 -9.141 5.536 1.00 0.00 C ATOM 1542 ND1 HIS A 98 -6.238 -9.001 5.892 1.00 0.00 N ATOM 1543 CD2 HIS A 98 -7.896 -8.019 4.813 1.00 0.00 C ATOM 1544 CE1 HIS A 98 -5.809 -7.829 5.389 1.00 0.00 C ATOM 1545 NE2 HIS A 98 -6.785 -7.206 4.728 1.00 0.00 N ATOM 0 H HIS A 98 -7.782 -8.371 7.651 1.00 0.00 H new ATOM 0 HA HIS A 98 -9.533 -10.806 7.673 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.894 -11.248 5.615 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -9.361 -10.303 5.449 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -5.685 -9.664 6.434 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -8.863 -7.807 4.380 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -4.807 -7.444 5.505 1.00 0.00 H new ATOM 1553 N GLY A 99 -7.541 -12.456 8.060 1.00 0.00 N ATOM 1554 CA GLY A 99 -6.499 -13.298 8.704 1.00 0.00 C ATOM 1555 C GLY A 99 -5.389 -13.621 7.708 1.00 0.00 C ATOM 1556 O GLY A 99 -4.715 -14.623 7.832 1.00 0.00 O ATOM 0 H GLY A 99 -8.288 -12.972 7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.083 -12.777 9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.945 -14.221 9.074 1.00 0.00 H new ATOM 1560 N GLU A 100 -5.173 -12.784 6.735 1.00 0.00 N ATOM 1561 CA GLU A 100 -4.089 -13.047 5.755 1.00 0.00 C ATOM 1562 C GLU A 100 -3.491 -11.699 5.375 1.00 0.00 C ATOM 1563 O GLU A 100 -4.208 -10.722 5.260 1.00 0.00 O ATOM 1564 CB GLU A 100 -4.672 -13.728 4.507 1.00 0.00 C ATOM 1565 CG GLU A 100 -6.038 -13.117 4.159 1.00 0.00 C ATOM 1566 CD GLU A 100 -6.676 -13.902 3.012 1.00 0.00 C ATOM 1567 OE1 GLU A 100 -6.025 -14.795 2.494 1.00 0.00 O ATOM 1568 OE2 GLU A 100 -7.807 -13.599 2.671 1.00 0.00 O ATOM 0 H GLU A 100 -5.703 -11.927 6.577 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.330 -13.703 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.988 -13.610 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.779 -14.798 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.689 -13.137 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.918 -12.072 3.875 1.00 0.00 H new ATOM 1575 N ASP A 101 -2.200 -11.581 5.228 1.00 0.00 N ATOM 1576 CA ASP A 101 -1.633 -10.248 4.916 1.00 0.00 C ATOM 1577 C ASP A 101 -2.013 -9.836 3.496 1.00 0.00 C ATOM 1578 O ASP A 101 -2.895 -10.410 2.887 1.00 0.00 O ATOM 1579 CB ASP A 101 -0.110 -10.327 5.049 1.00 0.00 C ATOM 1580 CG ASP A 101 0.425 -11.357 4.060 1.00 0.00 C ATOM 1581 OD1 ASP A 101 -0.329 -11.756 3.187 1.00 0.00 O ATOM 1582 OD2 ASP A 101 1.578 -11.733 4.190 1.00 0.00 O ATOM 0 H ASP A 101 -1.525 -12.341 5.310 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.030 -9.504 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.335 -9.352 4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.165 -10.605 6.067 1.00 0.00 H new ATOM 1587 N GLU A 102 -1.348 -8.860 2.953 1.00 0.00 N ATOM 1588 CA GLU A 102 -1.672 -8.436 1.569 1.00 0.00 C ATOM 1589 C GLU A 102 -0.496 -7.670 0.977 1.00 0.00 C ATOM 1590 O GLU A 102 0.352 -7.174 1.691 1.00 0.00 O ATOM 1591 CB GLU A 102 -2.911 -7.548 1.587 1.00 0.00 C ATOM 1592 CG GLU A 102 -2.989 -6.825 2.927 1.00 0.00 C ATOM 1593 CD GLU A 102 -4.027 -5.710 2.840 1.00 0.00 C ATOM 1594 OE1 GLU A 102 -5.181 -6.021 2.597 1.00 0.00 O ATOM 1595 OE2 GLU A 102 -3.650 -4.564 3.008 1.00 0.00 O ATOM 0 H GLU A 102 -0.597 -8.339 3.406 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.868 -9.316 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.867 -6.825 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.807 -8.149 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.258 -7.527 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.015 -6.411 3.187 1.00 0.00 H new ATOM 1602 N VAL A 103 -0.462 -7.530 -0.314 1.00 0.00 N ATOM 1603 CA VAL A 103 0.631 -6.749 -0.945 1.00 0.00 C ATOM 1604 C VAL A 103 0.008 -5.750 -1.904 1.00 0.00 C ATOM 1605 O VAL A 103 -0.811 -6.108 -2.730 1.00 0.00 O ATOM 1606 CB VAL A 103 1.563 -7.672 -1.721 1.00 0.00 C ATOM 1607 CG1 VAL A 103 2.733 -6.854 -2.276 1.00 0.00 C ATOM 1608 CG2 VAL A 103 2.091 -8.760 -0.786 1.00 0.00 C ATOM 0 H VAL A 103 -1.145 -7.923 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 103 1.208 -6.238 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 103 1.022 -8.137 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.403 -7.509 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.352 -6.077 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.278 -6.393 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.758 -9.422 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.637 -8.299 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.255 -9.336 -0.389 1.00 0.00 H new ATOM 1618 N ARG A 104 0.396 -4.506 -1.822 1.00 0.00 N ATOM 1619 CA ARG A 104 -0.174 -3.506 -2.756 1.00 0.00 C ATOM 1620 C ARG A 104 0.959 -2.853 -3.534 1.00 0.00 C ATOM 1621 O ARG A 104 1.873 -2.294 -2.961 1.00 0.00 O ATOM 1622 CB ARG A 104 -0.954 -2.420 -2.007 1.00 0.00 C ATOM 1623 CG ARG A 104 -1.716 -3.025 -0.825 1.00 0.00 C ATOM 1624 CD ARG A 104 -2.855 -3.891 -1.356 1.00 0.00 C ATOM 1625 NE ARG A 104 -3.741 -4.300 -0.231 1.00 0.00 N ATOM 1626 CZ ARG A 104 -5.013 -4.497 -0.443 1.00 0.00 C ATOM 1627 NH1 ARG A 104 -5.504 -4.370 -1.647 1.00 0.00 N ATOM 1628 NH2 ARG A 104 -5.793 -4.831 0.547 1.00 0.00 N ATOM 0 H ARG A 104 1.077 -4.146 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.861 -4.019 -3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.268 -1.652 -1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -1.653 -1.932 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -1.043 -3.624 -0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -2.111 -2.234 -0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.428 -3.339 -2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.452 -4.773 -1.854 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.354 -4.426 0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.893 -4.116 -2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.499 -4.524 -1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.408 -4.938 1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.788 -4.985 0.383 1.00 0.00 H new ATOM 1642 N PHE A 105 0.897 -2.902 -4.836 1.00 0.00 N ATOM 1643 CA PHE A 105 1.963 -2.263 -5.656 1.00 0.00 C ATOM 1644 C PHE A 105 1.324 -1.123 -6.424 1.00 0.00 C ATOM 1645 O PHE A 105 0.442 -1.334 -7.226 1.00 0.00 O ATOM 1646 CB PHE A 105 2.538 -3.278 -6.657 1.00 0.00 C ATOM 1647 CG PHE A 105 3.455 -2.599 -7.662 1.00 0.00 C ATOM 1648 CD1 PHE A 105 4.328 -1.556 -7.291 1.00 0.00 C ATOM 1649 CD2 PHE A 105 3.425 -3.031 -8.990 1.00 0.00 C ATOM 1650 CE1 PHE A 105 5.154 -0.960 -8.256 1.00 0.00 C ATOM 1651 CE2 PHE A 105 4.247 -2.438 -9.946 1.00 0.00 C ATOM 1652 CZ PHE A 105 5.111 -1.400 -9.583 1.00 0.00 C ATOM 0 H PHE A 105 0.154 -3.357 -5.367 1.00 0.00 H new ATOM 0 HA PHE A 105 2.769 -1.907 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.090 -4.050 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 105 1.723 -3.776 -7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 105 4.361 -1.217 -6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.759 -3.831 -9.278 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.824 -0.161 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.217 -2.781 -10.970 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.744 -0.939 -10.326 1.00 0.00 H new ATOM 1662 N PHE A 106 1.714 0.087 -6.175 1.00 0.00 N ATOM 1663 CA PHE A 106 1.069 1.206 -6.896 1.00 0.00 C ATOM 1664 C PHE A 106 1.925 1.564 -8.112 1.00 0.00 C ATOM 1665 O PHE A 106 3.097 1.821 -7.972 1.00 0.00 O ATOM 1666 CB PHE A 106 1.024 2.419 -5.956 1.00 0.00 C ATOM 1667 CG PHE A 106 0.290 2.068 -4.684 1.00 0.00 C ATOM 1668 CD1 PHE A 106 -1.111 2.072 -4.639 1.00 0.00 C ATOM 1669 CD2 PHE A 106 1.025 1.728 -3.541 1.00 0.00 C ATOM 1670 CE1 PHE A 106 -1.770 1.730 -3.448 1.00 0.00 C ATOM 1671 CE2 PHE A 106 0.368 1.391 -2.359 1.00 0.00 C ATOM 1672 CZ PHE A 106 -1.027 1.389 -2.309 1.00 0.00 C ATOM 0 H PHE A 106 2.443 0.349 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 106 0.064 0.928 -7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.038 2.744 -5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.528 3.254 -6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -1.681 2.337 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.104 1.727 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.849 1.730 -3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.939 1.131 -1.480 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.534 1.125 -1.393 1.00 0.00 H new ATOM 1682 N VAL A 107 1.403 1.531 -9.312 1.00 0.00 N ATOM 1683 CA VAL A 107 2.266 1.871 -10.483 1.00 0.00 C ATOM 1684 C VAL A 107 1.909 3.277 -10.962 1.00 0.00 C ATOM 1685 O VAL A 107 2.701 3.945 -11.600 1.00 0.00 O ATOM 1686 CB VAL A 107 2.027 0.881 -11.624 1.00 0.00 C ATOM 1687 CG1 VAL A 107 2.494 -0.510 -11.203 1.00 0.00 C ATOM 1688 CG2 VAL A 107 0.538 0.846 -11.961 1.00 0.00 C ATOM 0 H VAL A 107 0.436 1.289 -9.529 1.00 0.00 H new ATOM 0 HA VAL A 107 3.313 1.822 -10.185 1.00 0.00 H new ATOM 0 HB VAL A 107 2.590 1.196 -12.503 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.323 -1.213 -12.018 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.558 -0.481 -10.967 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.936 -0.831 -10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.365 0.141 -12.774 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.027 0.532 -11.083 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.211 1.840 -12.267 1.00 0.00 H new ATOM 1698 N GLU A 108 0.728 3.742 -10.646 1.00 0.00 N ATOM 1699 CA GLU A 108 0.336 5.108 -11.069 1.00 0.00 C ATOM 1700 C GLU A 108 -0.529 5.740 -9.975 1.00 0.00 C ATOM 1701 O GLU A 108 -1.604 5.264 -9.663 1.00 0.00 O ATOM 1702 CB GLU A 108 -0.440 5.040 -12.391 1.00 0.00 C ATOM 1703 CG GLU A 108 0.485 4.534 -13.505 1.00 0.00 C ATOM 1704 CD GLU A 108 1.649 5.511 -13.690 1.00 0.00 C ATOM 1705 OE1 GLU A 108 1.514 6.649 -13.270 1.00 0.00 O ATOM 1706 OE2 GLU A 108 2.657 5.105 -14.246 1.00 0.00 O ATOM 0 H GLU A 108 0.023 3.232 -10.114 1.00 0.00 H new ATOM 0 HA GLU A 108 1.226 5.718 -11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.298 4.376 -12.287 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.829 6.025 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.865 3.544 -13.254 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.072 4.435 -14.437 1.00 0.00 H new ATOM 1713 N GLY A 109 -0.063 6.813 -9.400 1.00 0.00 N ATOM 1714 CA GLY A 109 -0.848 7.493 -8.333 1.00 0.00 C ATOM 1715 C GLY A 109 -0.302 7.141 -6.948 1.00 0.00 C ATOM 1716 O GLY A 109 0.573 6.311 -6.794 1.00 0.00 O ATOM 0 H GLY A 109 0.831 7.250 -9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.811 8.572 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.895 7.198 -8.402 1.00 0.00 H new ATOM 1720 N ALA A 110 -0.812 7.794 -5.941 1.00 0.00 N ATOM 1721 CA ALA A 110 -0.331 7.535 -4.555 1.00 0.00 C ATOM 1722 C ALA A 110 -1.526 7.394 -3.601 1.00 0.00 C ATOM 1723 O ALA A 110 -2.568 7.990 -3.791 1.00 0.00 O ATOM 1724 CB ALA A 110 0.551 8.707 -4.107 1.00 0.00 C ATOM 0 H ALA A 110 -1.545 8.499 -6.019 1.00 0.00 H new ATOM 0 HA ALA A 110 0.244 6.609 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.908 8.527 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.403 8.800 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.030 9.629 -4.128 1.00 0.00 H new ATOM 1730 N GLY A 111 -1.355 6.613 -2.564 1.00 0.00 N ATOM 1731 CA GLY A 111 -2.437 6.409 -1.556 1.00 0.00 C ATOM 1732 C GLY A 111 -1.820 6.435 -0.149 1.00 0.00 C ATOM 1733 O GLY A 111 -0.730 5.943 0.060 1.00 0.00 O ATOM 0 H GLY A 111 -0.495 6.100 -2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.192 7.189 -1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.939 5.457 -1.730 1.00 0.00 H new ATOM 1737 N LEU A 112 -2.507 6.991 0.821 1.00 0.00 N ATOM 1738 CA LEU A 112 -1.948 7.024 2.209 1.00 0.00 C ATOM 1739 C LEU A 112 -2.345 5.730 2.910 1.00 0.00 C ATOM 1740 O LEU A 112 -3.511 5.459 3.108 1.00 0.00 O ATOM 1741 CB LEU A 112 -2.538 8.211 2.985 1.00 0.00 C ATOM 1742 CG LEU A 112 -1.455 8.908 3.820 1.00 0.00 C ATOM 1743 CD1 LEU A 112 -0.710 7.891 4.696 1.00 0.00 C ATOM 1744 CD2 LEU A 112 -0.460 9.602 2.889 1.00 0.00 C ATOM 0 H LEU A 112 -3.426 7.421 0.712 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.864 7.129 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.981 8.923 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.339 7.863 3.637 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.933 9.644 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.054 8.404 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.416 7.404 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.238 7.141 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.309 10.097 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.005 8.863 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.983 10.342 2.284 1.00 0.00 H new ATOM 1756 N PHE A 113 -1.390 4.924 3.273 1.00 0.00 N ATOM 1757 CA PHE A 113 -1.719 3.644 3.948 1.00 0.00 C ATOM 1758 C PHE A 113 -1.175 3.684 5.375 1.00 0.00 C ATOM 1759 O PHE A 113 0.020 3.743 5.588 1.00 0.00 O ATOM 1760 CB PHE A 113 -1.067 2.501 3.172 1.00 0.00 C ATOM 1761 CG PHE A 113 -1.528 1.186 3.735 1.00 0.00 C ATOM 1762 CD1 PHE A 113 -0.971 0.719 4.927 1.00 0.00 C ATOM 1763 CD2 PHE A 113 -2.499 0.425 3.066 1.00 0.00 C ATOM 1764 CE1 PHE A 113 -1.378 -0.505 5.454 1.00 0.00 C ATOM 1765 CE2 PHE A 113 -2.906 -0.801 3.595 1.00 0.00 C ATOM 1766 CZ PHE A 113 -2.343 -1.267 4.788 1.00 0.00 C ATOM 0 H PHE A 113 -0.395 5.098 3.131 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.798 3.493 3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -1.329 2.568 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.018 2.576 3.237 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.225 1.307 5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.930 0.787 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.948 -0.865 6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.654 -1.389 3.084 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.654 -2.217 5.196 1.00 0.00 H new ATOM 1776 N CYS A 114 -2.041 3.654 6.352 1.00 0.00 N ATOM 1777 CA CYS A 114 -1.578 3.694 7.769 1.00 0.00 C ATOM 1778 C CYS A 114 -2.049 2.435 8.493 1.00 0.00 C ATOM 1779 O CYS A 114 -3.113 1.914 8.223 1.00 0.00 O ATOM 1780 CB CYS A 114 -2.152 4.932 8.459 1.00 0.00 C ATOM 1781 SG CYS A 114 -3.123 5.890 7.269 1.00 0.00 S ATOM 0 H CYS A 114 -3.052 3.603 6.229 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.489 3.740 7.796 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -2.778 4.635 9.300 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -1.345 5.544 8.862 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.613 6.942 7.855 1.00 0.00 H new ATOM 1787 N LEU A 115 -1.268 1.942 9.412 1.00 0.00 N ATOM 1788 CA LEU A 115 -1.675 0.719 10.155 1.00 0.00 C ATOM 1789 C LEU A 115 -1.358 0.901 11.639 1.00 0.00 C ATOM 1790 O LEU A 115 -0.365 1.499 12.000 1.00 0.00 O ATOM 1791 CB LEU A 115 -0.906 -0.492 9.617 1.00 0.00 C ATOM 1792 CG LEU A 115 0.578 -0.140 9.469 1.00 0.00 C ATOM 1793 CD1 LEU A 115 1.379 -1.421 9.234 1.00 0.00 C ATOM 1794 CD2 LEU A 115 0.781 0.807 8.280 1.00 0.00 C ATOM 0 H LEU A 115 -0.365 2.333 9.681 1.00 0.00 H new ATOM 0 HA LEU A 115 -2.745 0.555 10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.023 -1.338 10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.315 -0.795 8.653 1.00 0.00 H new ATOM 0 HG LEU A 115 0.920 0.352 10.380 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.436 -1.175 9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.246 -2.094 10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.027 -1.909 8.325 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.839 1.050 8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.436 0.323 7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.212 1.722 8.443 1.00 0.00 H new ATOM 1806 N HIS A 116 -2.189 0.390 12.505 1.00 0.00 N ATOM 1807 CA HIS A 116 -1.922 0.538 13.964 1.00 0.00 C ATOM 1808 C HIS A 116 -1.189 -0.710 14.463 1.00 0.00 C ATOM 1809 O HIS A 116 -1.645 -1.819 14.273 1.00 0.00 O ATOM 1810 CB HIS A 116 -3.250 0.685 14.710 1.00 0.00 C ATOM 1811 CG HIS A 116 -2.981 1.056 16.141 1.00 0.00 C ATOM 1812 ND1 HIS A 116 -1.717 1.421 16.587 1.00 0.00 N ATOM 1813 CD2 HIS A 116 -3.804 1.134 17.238 1.00 0.00 C ATOM 1814 CE1 HIS A 116 -1.817 1.700 17.900 1.00 0.00 C ATOM 1815 NE2 HIS A 116 -3.064 1.541 18.343 1.00 0.00 N ATOM 0 H HIS A 116 -3.039 -0.122 12.267 1.00 0.00 H new ATOM 0 HA HIS A 116 -1.309 1.421 14.142 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -3.864 1.449 14.234 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -3.811 -0.249 14.664 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -4.861 0.914 17.242 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -0.989 2.014 18.518 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -3.404 1.687 19.293 1.00 0.00 H new ATOM 1824 N ILE A 117 -0.056 -0.539 15.096 1.00 0.00 N ATOM 1825 CA ILE A 117 0.699 -1.724 15.601 1.00 0.00 C ATOM 1826 C ILE A 117 1.113 -1.486 17.064 1.00 0.00 C ATOM 1827 O ILE A 117 1.915 -0.626 17.364 1.00 0.00 O ATOM 1828 CB ILE A 117 1.943 -1.934 14.733 1.00 0.00 C ATOM 1829 CG1 ILE A 117 2.625 -3.251 15.113 1.00 0.00 C ATOM 1830 CG2 ILE A 117 2.920 -0.779 14.949 1.00 0.00 C ATOM 1831 CD1 ILE A 117 2.953 -4.046 13.843 1.00 0.00 C ATOM 0 H ILE A 117 0.377 0.365 15.284 1.00 0.00 H new ATOM 0 HA ILE A 117 0.069 -2.612 15.551 1.00 0.00 H new ATOM 0 HB ILE A 117 1.645 -1.970 13.685 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.537 -3.051 15.675 1.00 0.00 H new ATOM 0 HG13 ILE A 117 1.973 -3.836 15.762 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.805 -0.930 14.330 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.440 0.160 14.673 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.213 -0.742 15.998 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.438 -4.983 14.116 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.033 -4.259 13.299 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.621 -3.462 13.210 1.00 0.00 H new ATOM 1843 N GLY A 118 0.562 -2.245 17.972 1.00 0.00 N ATOM 1844 CA GLY A 118 0.915 -2.071 19.420 1.00 0.00 C ATOM 1845 C GLY A 118 0.441 -0.694 19.910 1.00 0.00 C ATOM 1846 O GLY A 118 -0.633 -0.244 19.569 1.00 0.00 O ATOM 0 H GLY A 118 -0.118 -2.980 17.779 1.00 0.00 H new ATOM 0 HA2 GLY A 118 0.451 -2.858 20.014 1.00 0.00 H new ATOM 0 HA3 GLY A 118 1.993 -2.164 19.555 1.00 0.00 H new ATOM 1850 N ASP A 119 1.237 -0.023 20.713 1.00 0.00 N ATOM 1851 CA ASP A 119 0.839 1.325 21.237 1.00 0.00 C ATOM 1852 C ASP A 119 1.457 2.426 20.368 1.00 0.00 C ATOM 1853 O ASP A 119 1.710 3.524 20.821 1.00 0.00 O ATOM 1854 CB ASP A 119 1.333 1.478 22.678 1.00 0.00 C ATOM 1855 CG ASP A 119 2.853 1.322 22.714 1.00 0.00 C ATOM 1856 OD1 ASP A 119 3.457 1.359 21.656 1.00 0.00 O ATOM 1857 OD2 ASP A 119 3.388 1.174 23.800 1.00 0.00 O ATOM 0 H ASP A 119 2.149 -0.353 21.029 1.00 0.00 H new ATOM 0 HA ASP A 119 -0.247 1.413 21.210 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.047 2.454 23.070 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.864 0.729 23.316 1.00 0.00 H new ATOM 1862 N GLU A 120 1.693 2.139 19.121 1.00 0.00 N ATOM 1863 CA GLU A 120 2.278 3.166 18.209 1.00 0.00 C ATOM 1864 C GLU A 120 1.475 3.194 16.920 1.00 0.00 C ATOM 1865 O GLU A 120 0.970 2.178 16.484 1.00 0.00 O ATOM 1866 CB GLU A 120 3.728 2.809 17.873 1.00 0.00 C ATOM 1867 CG GLU A 120 4.675 3.565 18.800 1.00 0.00 C ATOM 1868 CD GLU A 120 6.123 3.216 18.452 1.00 0.00 C ATOM 1869 OE1 GLU A 120 6.322 2.301 17.672 1.00 0.00 O ATOM 1870 OE2 GLU A 120 7.009 3.870 18.977 1.00 0.00 O ATOM 0 H GLU A 120 1.506 1.234 18.689 1.00 0.00 H new ATOM 0 HA GLU A 120 2.249 4.138 18.701 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.881 1.735 17.979 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.943 3.061 16.835 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.516 4.639 18.702 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.467 3.306 19.838 1.00 0.00 H new ATOM 1877 N VAL A 121 1.363 4.331 16.287 1.00 0.00 N ATOM 1878 CA VAL A 121 0.606 4.401 15.015 1.00 0.00 C ATOM 1879 C VAL A 121 1.598 4.749 13.901 1.00 0.00 C ATOM 1880 O VAL A 121 2.240 5.780 13.931 1.00 0.00 O ATOM 1881 CB VAL A 121 -0.453 5.505 15.127 1.00 0.00 C ATOM 1882 CG1 VAL A 121 -1.742 5.072 14.420 1.00 0.00 C ATOM 1883 CG2 VAL A 121 -0.750 5.770 16.605 1.00 0.00 C ATOM 0 H VAL A 121 1.766 5.214 16.601 1.00 0.00 H new ATOM 0 HA VAL A 121 0.113 3.453 14.800 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.076 6.412 14.655 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.487 5.863 14.506 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -1.533 4.882 13.367 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.123 4.162 14.884 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.502 6.554 16.690 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.123 4.858 17.071 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.163 6.087 17.108 1.00 0.00 H new ATOM 1893 N PHE A 122 1.750 3.893 12.931 1.00 0.00 N ATOM 1894 CA PHE A 122 2.714 4.167 11.837 1.00 0.00 C ATOM 1895 C PHE A 122 1.984 4.896 10.710 1.00 0.00 C ATOM 1896 O PHE A 122 0.898 4.523 10.312 1.00 0.00 O ATOM 1897 CB PHE A 122 3.267 2.831 11.324 1.00 0.00 C ATOM 1898 CG PHE A 122 4.257 2.263 12.323 1.00 0.00 C ATOM 1899 CD1 PHE A 122 3.880 2.008 13.652 1.00 0.00 C ATOM 1900 CD2 PHE A 122 5.565 1.998 11.912 1.00 0.00 C ATOM 1901 CE1 PHE A 122 4.815 1.490 14.558 1.00 0.00 C ATOM 1902 CE2 PHE A 122 6.496 1.482 12.817 1.00 0.00 C ATOM 1903 CZ PHE A 122 6.122 1.228 14.140 1.00 0.00 C ATOM 0 H PHE A 122 1.244 3.011 12.851 1.00 0.00 H new ATOM 0 HA PHE A 122 3.536 4.787 12.196 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.451 2.126 11.167 1.00 0.00 H new ATOM 0 HB3 PHE A 122 3.753 2.975 10.359 1.00 0.00 H new ATOM 0 HD1 PHE A 122 2.870 2.211 13.975 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.858 2.193 10.891 1.00 0.00 H new ATOM 0 HE1 PHE A 122 4.525 1.293 15.580 1.00 0.00 H new ATOM 0 HE2 PHE A 122 7.506 1.279 12.494 1.00 0.00 H new ATOM 0 HZ PHE A 122 6.843 0.830 14.838 1.00 0.00 H new ATOM 1913 N GLN A 123 2.600 5.903 10.162 1.00 0.00 N ATOM 1914 CA GLN A 123 1.981 6.634 9.021 1.00 0.00 C ATOM 1915 C GLN A 123 2.951 6.581 7.843 1.00 0.00 C ATOM 1916 O GLN A 123 3.963 7.251 7.852 1.00 0.00 O ATOM 1917 CB GLN A 123 1.719 8.091 9.406 1.00 0.00 C ATOM 1918 CG GLN A 123 0.878 8.773 8.325 1.00 0.00 C ATOM 1919 CD GLN A 123 0.569 10.205 8.765 1.00 0.00 C ATOM 1920 OE1 GLN A 123 0.842 10.575 9.890 1.00 0.00 O ATOM 1921 NE2 GLN A 123 0.011 11.030 7.926 1.00 0.00 N ATOM 0 H GLN A 123 3.511 6.254 10.456 1.00 0.00 H new ATOM 0 HA GLN A 123 1.030 6.172 8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 123 1.201 8.135 10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.664 8.619 9.530 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.416 8.778 7.377 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -0.048 8.221 8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.218 10.720 6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -0.197 11.986 8.213 1.00 0.00 H new ATOM 1930 N VAL A 124 2.673 5.786 6.843 1.00 0.00 N ATOM 1931 CA VAL A 124 3.615 5.703 5.688 1.00 0.00 C ATOM 1932 C VAL A 124 2.903 6.104 4.404 1.00 0.00 C ATOM 1933 O VAL A 124 1.836 5.609 4.093 1.00 0.00 O ATOM 1934 CB VAL A 124 4.139 4.271 5.541 1.00 0.00 C ATOM 1935 CG1 VAL A 124 5.059 3.936 6.712 1.00 0.00 C ATOM 1936 CG2 VAL A 124 2.966 3.287 5.521 1.00 0.00 C ATOM 0 H VAL A 124 1.843 5.196 6.776 1.00 0.00 H new ATOM 0 HA VAL A 124 4.449 6.381 5.871 1.00 0.00 H new ATOM 0 HB VAL A 124 4.695 4.191 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.429 2.917 6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.901 4.629 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.505 4.023 7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.345 2.271 5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.405 3.371 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.311 3.518 4.681 1.00 0.00 H new ATOM 1946 N LEU A 125 3.484 6.997 3.652 1.00 0.00 N ATOM 1947 CA LEU A 125 2.836 7.426 2.390 1.00 0.00 C ATOM 1948 C LEU A 125 3.219 6.422 1.311 1.00 0.00 C ATOM 1949 O LEU A 125 4.328 5.917 1.288 1.00 0.00 O ATOM 1950 CB LEU A 125 3.306 8.838 2.007 1.00 0.00 C ATOM 1951 CG LEU A 125 2.372 9.450 0.947 1.00 0.00 C ATOM 1952 CD1 LEU A 125 2.270 10.956 1.168 1.00 0.00 C ATOM 1953 CD2 LEU A 125 2.925 9.190 -0.455 1.00 0.00 C ATOM 0 H LEU A 125 4.377 7.445 3.859 1.00 0.00 H new ATOM 0 HA LEU A 125 1.753 7.459 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.326 9.473 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.325 8.796 1.622 1.00 0.00 H new ATOM 0 HG LEU A 125 1.387 8.992 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.609 11.390 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.868 11.151 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.260 11.404 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.256 9.627 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.913 9.642 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.000 8.116 -0.623 1.00 0.00 H new ATOM 1965 N CYS A 126 2.305 6.142 0.421 1.00 0.00 N ATOM 1966 CA CYS A 126 2.583 5.166 -0.671 1.00 0.00 C ATOM 1967 C CYS A 126 2.545 5.869 -2.018 1.00 0.00 C ATOM 1968 O CYS A 126 1.602 6.562 -2.342 1.00 0.00 O ATOM 1969 CB CYS A 126 1.514 4.066 -0.678 1.00 0.00 C ATOM 1970 SG CYS A 126 0.489 4.234 -2.162 1.00 0.00 S ATOM 0 H CYS A 126 1.371 6.551 0.404 1.00 0.00 H new ATOM 0 HA CYS A 126 3.568 4.732 -0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 126 1.987 3.084 -0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 126 0.894 4.140 0.216 1.00 0.00 H new ATOM 0 HG CYS A 126 0.520 3.124 -2.838 1.00 0.00 H new ATOM 1976 N GLU A 127 3.563 5.704 -2.806 1.00 0.00 N ATOM 1977 CA GLU A 127 3.580 6.357 -4.137 1.00 0.00 C ATOM 1978 C GLU A 127 3.958 5.323 -5.186 1.00 0.00 C ATOM 1979 O GLU A 127 4.645 4.360 -4.903 1.00 0.00 O ATOM 1980 CB GLU A 127 4.625 7.469 -4.167 1.00 0.00 C ATOM 1981 CG GLU A 127 5.309 7.567 -2.807 1.00 0.00 C ATOM 1982 CD GLU A 127 6.091 6.281 -2.531 1.00 0.00 C ATOM 1983 OE1 GLU A 127 6.048 5.391 -3.365 1.00 0.00 O ATOM 1984 OE2 GLU A 127 6.715 6.205 -1.485 1.00 0.00 O ATOM 0 H GLU A 127 4.386 5.144 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 127 2.594 6.776 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 127 5.363 7.267 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.152 8.419 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.982 8.425 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.566 7.727 -2.026 1.00 0.00 H new ATOM 1991 N LYS A 128 3.506 5.498 -6.391 1.00 0.00 N ATOM 1992 CA LYS A 128 3.830 4.512 -7.462 1.00 0.00 C ATOM 1993 C LYS A 128 5.349 4.310 -7.571 1.00 0.00 C ATOM 1994 O LYS A 128 5.845 3.610 -8.433 1.00 0.00 O ATOM 1995 CB LYS A 128 3.265 4.993 -8.812 1.00 0.00 C ATOM 1996 CG LYS A 128 3.441 6.518 -8.991 1.00 0.00 C ATOM 1997 CD LYS A 128 4.872 6.858 -9.432 1.00 0.00 C ATOM 1998 CE LYS A 128 5.175 6.211 -10.785 1.00 0.00 C ATOM 1999 NZ LYS A 128 5.990 7.148 -11.612 1.00 0.00 N ATOM 0 H LYS A 128 2.924 6.282 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 128 3.371 3.558 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 128 3.769 4.470 -9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 128 2.207 4.738 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 128 2.731 6.885 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 128 3.215 7.026 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.992 7.939 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 128 5.584 6.507 -8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 128 5.713 5.274 -10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 128 4.246 5.968 -11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 6.197 6.709 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 5.460 8.031 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 6.882 7.358 -11.121 1.00 0.00 H new ATOM 2013 N ASN A 129 6.068 4.909 -6.682 1.00 0.00 N ATOM 2014 CA ASN A 129 7.555 4.774 -6.683 1.00 0.00 C ATOM 2015 C ASN A 129 7.999 3.427 -6.114 1.00 0.00 C ATOM 2016 O ASN A 129 8.749 2.700 -6.735 1.00 0.00 O ATOM 2017 CB ASN A 129 8.164 5.881 -5.843 1.00 0.00 C ATOM 2018 CG ASN A 129 7.862 7.233 -6.487 1.00 0.00 C ATOM 2019 OD1 ASN A 129 6.646 7.489 -6.878 1.00 0.00 O flip ATOM 2020 ND2 ASN A 129 8.740 8.063 -6.634 1.00 0.00 N flip ATOM 0 H ASN A 129 5.692 5.498 -5.939 1.00 0.00 H new ATOM 0 HA ASN A 129 7.894 4.842 -7.717 1.00 0.00 H new ATOM 0 HB2 ASN A 129 7.759 5.849 -4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 129 9.241 5.738 -5.760 1.00 0.00 H new ATOM 0 HD21 ASN A 129 9.691 7.859 -6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 129 8.525 8.962 -7.064 1.00 0.00 H new ATOM 2027 N ASP A 130 7.587 3.121 -4.916 1.00 0.00 N ATOM 2028 CA ASP A 130 8.035 1.850 -4.273 1.00 0.00 C ATOM 2029 C ASP A 130 6.865 0.877 -4.019 1.00 0.00 C ATOM 2030 O ASP A 130 5.901 0.809 -4.768 1.00 0.00 O ATOM 2031 CB ASP A 130 8.738 2.182 -2.953 1.00 0.00 C ATOM 2032 CG ASP A 130 10.009 2.993 -3.235 1.00 0.00 C ATOM 2033 OD1 ASP A 130 10.444 3.004 -4.376 1.00 0.00 O ATOM 2034 OD2 ASP A 130 10.524 3.586 -2.303 1.00 0.00 O ATOM 0 H ASP A 130 6.959 3.695 -4.352 1.00 0.00 H new ATOM 0 HA ASP A 130 8.722 1.349 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 130 8.069 2.749 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.991 1.264 -2.423 1.00 0.00 H new ATOM 2039 N LEU A 131 6.976 0.099 -2.971 1.00 0.00 N ATOM 2040 CA LEU A 131 5.933 -0.911 -2.646 1.00 0.00 C ATOM 2041 C LEU A 131 5.741 -1.004 -1.130 1.00 0.00 C ATOM 2042 O LEU A 131 6.662 -0.792 -0.363 1.00 0.00 O ATOM 2043 CB LEU A 131 6.368 -2.268 -3.191 1.00 0.00 C ATOM 2044 CG LEU A 131 5.285 -3.321 -2.926 1.00 0.00 C ATOM 2045 CD1 LEU A 131 4.791 -3.894 -4.248 1.00 0.00 C ATOM 2046 CD2 LEU A 131 5.864 -4.459 -2.081 1.00 0.00 C ATOM 0 H LEU A 131 7.760 0.125 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 131 4.988 -0.613 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 131 6.558 -2.193 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.304 -2.573 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 131 4.458 -2.850 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 131 4.022 -4.642 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 131 4.374 -3.093 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 131 5.623 -4.358 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 131 5.091 -5.204 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 131 6.694 -4.922 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 131 6.220 -4.062 -1.131 1.00 0.00 H new ATOM 2058 N ILE A 132 4.564 -1.359 -0.699 1.00 0.00 N ATOM 2059 CA ILE A 132 4.322 -1.510 0.763 1.00 0.00 C ATOM 2060 C ILE A 132 3.475 -2.762 1.013 1.00 0.00 C ATOM 2061 O ILE A 132 2.549 -3.050 0.281 1.00 0.00 O ATOM 2062 CB ILE A 132 3.577 -0.286 1.284 1.00 0.00 C ATOM 2063 CG1 ILE A 132 3.696 -0.213 2.806 1.00 0.00 C ATOM 2064 CG2 ILE A 132 2.100 -0.403 0.919 1.00 0.00 C ATOM 2065 CD1 ILE A 132 3.266 1.171 3.278 1.00 0.00 C ATOM 0 H ILE A 132 3.759 -1.551 -1.295 1.00 0.00 H new ATOM 0 HA ILE A 132 5.277 -1.604 1.281 1.00 0.00 H new ATOM 0 HB ILE A 132 4.009 0.609 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 132 3.072 -0.978 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.723 -0.412 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 132 1.563 0.470 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 132 1.996 -0.460 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 132 1.684 -1.303 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.349 1.227 4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.909 1.926 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.232 1.351 2.984 1.00 0.00 H new ATOM 2077 N SER A 133 3.776 -3.507 2.045 1.00 0.00 N ATOM 2078 CA SER A 133 2.970 -4.725 2.340 1.00 0.00 C ATOM 2079 C SER A 133 2.917 -4.927 3.852 1.00 0.00 C ATOM 2080 O SER A 133 3.942 -4.994 4.502 1.00 0.00 O ATOM 2081 CB SER A 133 3.625 -5.941 1.688 1.00 0.00 C ATOM 2082 OG SER A 133 2.843 -7.099 1.957 1.00 0.00 O ATOM 0 H SER A 133 4.542 -3.324 2.693 1.00 0.00 H new ATOM 0 HA SER A 133 1.961 -4.605 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 133 3.711 -5.789 0.612 1.00 0.00 H new ATOM 0 HB3 SER A 133 4.636 -6.074 2.073 1.00 0.00 H new ATOM 0 HG SER A 133 1.913 -6.933 1.698 1.00 0.00 H new ATOM 2088 N VAL A 134 1.746 -5.006 4.431 1.00 0.00 N ATOM 2089 CA VAL A 134 1.661 -5.181 5.910 1.00 0.00 C ATOM 2090 C VAL A 134 1.224 -6.615 6.231 1.00 0.00 C ATOM 2091 O VAL A 134 0.493 -7.221 5.476 1.00 0.00 O ATOM 2092 CB VAL A 134 0.631 -4.196 6.460 1.00 0.00 C ATOM 2093 CG1 VAL A 134 0.851 -2.819 5.822 1.00 0.00 C ATOM 2094 CG2 VAL A 134 -0.775 -4.701 6.126 1.00 0.00 C ATOM 0 H VAL A 134 0.850 -4.957 3.946 1.00 0.00 H new ATOM 0 HA VAL A 134 2.634 -4.994 6.365 1.00 0.00 H new ATOM 0 HB VAL A 134 0.741 -4.113 7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 134 0.117 -2.115 6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 134 1.855 -2.465 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.738 -2.897 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -1.515 -4.002 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -0.886 -4.781 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -0.927 -5.681 6.579 1.00 0.00 H new ATOM 2104 N PRO A 135 1.682 -7.162 7.334 1.00 0.00 N ATOM 2105 CA PRO A 135 1.349 -8.559 7.745 1.00 0.00 C ATOM 2106 C PRO A 135 -0.143 -8.767 8.012 1.00 0.00 C ATOM 2107 O PRO A 135 -0.918 -7.831 8.042 1.00 0.00 O ATOM 2108 CB PRO A 135 2.148 -8.779 9.031 1.00 0.00 C ATOM 2109 CG PRO A 135 2.455 -7.415 9.546 1.00 0.00 C ATOM 2110 CD PRO A 135 2.563 -6.514 8.319 1.00 0.00 C ATOM 0 HA PRO A 135 1.596 -9.263 6.950 1.00 0.00 H new ATOM 0 HB2 PRO A 135 1.572 -9.353 9.758 1.00 0.00 H new ATOM 0 HB3 PRO A 135 3.062 -9.339 8.834 1.00 0.00 H new ATOM 0 HG2 PRO A 135 1.671 -7.066 10.218 1.00 0.00 H new ATOM 0 HG3 PRO A 135 3.385 -7.413 10.114 1.00 0.00 H new ATOM 0 HD2 PRO A 135 2.239 -5.497 8.539 1.00 0.00 H new ATOM 0 HD3 PRO A 135 3.589 -6.450 7.958 1.00 0.00 H new ATOM 2118 N ALA A 136 -0.545 -9.995 8.213 1.00 0.00 N ATOM 2119 CA ALA A 136 -1.981 -10.283 8.487 1.00 0.00 C ATOM 2120 C ALA A 136 -2.293 -9.976 9.949 1.00 0.00 C ATOM 2121 O ALA A 136 -1.429 -9.602 10.717 1.00 0.00 O ATOM 2122 CB ALA A 136 -2.273 -11.759 8.223 1.00 0.00 C ATOM 0 H ALA A 136 0.064 -10.813 8.199 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.597 -9.663 7.835 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.324 -11.964 8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.051 -11.993 7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.652 -12.375 8.874 1.00 0.00 H new ATOM 2128 N HIS A 137 -3.529 -10.128 10.336 1.00 0.00 N ATOM 2129 CA HIS A 137 -3.918 -9.847 11.743 1.00 0.00 C ATOM 2130 C HIS A 137 -3.535 -8.417 12.098 1.00 0.00 C ATOM 2131 O HIS A 137 -3.671 -7.992 13.228 1.00 0.00 O ATOM 2132 CB HIS A 137 -3.207 -10.815 12.688 1.00 0.00 C ATOM 2133 CG HIS A 137 -3.583 -12.220 12.323 1.00 0.00 C ATOM 2134 ND1 HIS A 137 -4.896 -12.580 12.056 1.00 0.00 N ATOM 2135 CD2 HIS A 137 -2.841 -13.365 12.179 1.00 0.00 C ATOM 2136 CE1 HIS A 137 -4.906 -13.891 11.767 1.00 0.00 C ATOM 2137 NE2 HIS A 137 -3.680 -14.417 11.828 1.00 0.00 N ATOM 0 H HIS A 137 -4.291 -10.437 9.732 1.00 0.00 H new ATOM 0 HA HIS A 137 -4.995 -9.976 11.848 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -2.127 -10.684 12.618 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -3.487 -10.607 13.721 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -1.772 -13.438 12.317 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -5.795 -14.451 11.516 1.00 0.00 H new ATOM 0 HE2 HIS A 137 -3.415 -15.386 11.654 1.00 0.00 H new ATOM 2146 N THR A 138 -3.074 -7.668 11.140 1.00 0.00 N ATOM 2147 CA THR A 138 -2.708 -6.261 11.434 1.00 0.00 C ATOM 2148 C THR A 138 -3.835 -5.348 10.921 1.00 0.00 C ATOM 2149 O THR A 138 -4.033 -5.242 9.727 1.00 0.00 O ATOM 2150 CB THR A 138 -1.384 -5.911 10.734 1.00 0.00 C ATOM 2151 OG1 THR A 138 -0.615 -7.096 10.556 1.00 0.00 O ATOM 2152 CG2 THR A 138 -0.598 -4.924 11.606 1.00 0.00 C ATOM 0 H THR A 138 -2.936 -7.967 10.174 1.00 0.00 H new ATOM 0 HA THR A 138 -2.579 -6.122 12.507 1.00 0.00 H new ATOM 0 HB THR A 138 -1.591 -5.461 9.763 1.00 0.00 H new ATOM 0 HG1 THR A 138 -1.091 -7.857 10.949 1.00 0.00 H new ATOM 0 HG21 THR A 138 0.342 -4.673 11.114 1.00 0.00 H new ATOM 0 HG22 THR A 138 -1.186 -4.018 11.750 1.00 0.00 H new ATOM 0 HG23 THR A 138 -0.390 -5.379 12.574 1.00 0.00 H new ATOM 2160 N PRO A 139 -4.559 -4.662 11.792 1.00 0.00 N ATOM 2161 CA PRO A 139 -5.646 -3.736 11.344 1.00 0.00 C ATOM 2162 C PRO A 139 -5.070 -2.595 10.492 1.00 0.00 C ATOM 2163 O PRO A 139 -4.196 -1.872 10.920 1.00 0.00 O ATOM 2164 CB PRO A 139 -6.198 -3.152 12.654 1.00 0.00 C ATOM 2165 CG PRO A 139 -5.775 -4.092 13.731 1.00 0.00 C ATOM 2166 CD PRO A 139 -4.462 -4.714 13.268 1.00 0.00 C ATOM 0 HA PRO A 139 -6.397 -4.246 10.740 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -5.804 -2.151 12.832 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -7.284 -3.065 12.616 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -5.643 -3.566 14.676 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -6.531 -4.859 13.896 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -3.601 -4.154 13.634 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -4.353 -5.737 13.628 1.00 0.00 H new ATOM 2174 N HIS A 140 -5.594 -2.398 9.313 1.00 0.00 N ATOM 2175 CA HIS A 140 -5.130 -1.267 8.456 1.00 0.00 C ATOM 2176 C HIS A 140 -6.355 -0.635 7.767 1.00 0.00 C ATOM 2177 O HIS A 140 -7.426 -1.214 7.753 1.00 0.00 O ATOM 2178 CB HIS A 140 -4.107 -1.760 7.429 1.00 0.00 C ATOM 2179 CG HIS A 140 -4.647 -2.981 6.763 1.00 0.00 C ATOM 2180 ND1 HIS A 140 -5.070 -4.089 7.494 1.00 0.00 N ATOM 2181 CD2 HIS A 140 -4.981 -3.237 5.458 1.00 0.00 C ATOM 2182 CE1 HIS A 140 -5.658 -4.936 6.630 1.00 0.00 C ATOM 2183 NE2 HIS A 140 -5.609 -4.459 5.393 1.00 0.00 N ATOM 0 H HIS A 140 -6.328 -2.975 8.903 1.00 0.00 H new ATOM 0 HA HIS A 140 -4.637 -0.513 9.069 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.909 -0.983 6.690 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.159 -1.984 7.918 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -4.955 -4.231 8.497 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -4.783 -2.586 4.619 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -6.109 -5.878 6.906 1.00 0.00 H new ATOM 2191 N TRP A 141 -6.204 0.524 7.177 1.00 0.00 N ATOM 2192 CA TRP A 141 -7.350 1.176 6.456 1.00 0.00 C ATOM 2193 C TRP A 141 -6.793 1.927 5.235 1.00 0.00 C ATOM 2194 O TRP A 141 -5.720 2.493 5.294 1.00 0.00 O ATOM 2195 CB TRP A 141 -8.057 2.171 7.381 1.00 0.00 C ATOM 2196 CG TRP A 141 -7.037 2.994 8.095 1.00 0.00 C ATOM 2197 CD1 TRP A 141 -6.384 4.061 7.575 1.00 0.00 C ATOM 2198 CD2 TRP A 141 -6.546 2.834 9.451 1.00 0.00 C ATOM 2199 NE1 TRP A 141 -5.516 4.560 8.532 1.00 0.00 N ATOM 2200 CE2 TRP A 141 -5.582 3.836 9.707 1.00 0.00 C ATOM 2201 CE3 TRP A 141 -6.844 1.919 10.473 1.00 0.00 C ATOM 2202 CZ2 TRP A 141 -4.934 3.925 10.938 1.00 0.00 C ATOM 2203 CZ3 TRP A 141 -6.197 2.005 11.712 1.00 0.00 C ATOM 2204 CH2 TRP A 141 -5.242 3.006 11.946 1.00 0.00 C ATOM 0 H TRP A 141 -5.332 1.053 7.161 1.00 0.00 H new ATOM 0 HA TRP A 141 -8.066 0.416 6.143 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -8.720 2.815 6.803 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -8.678 1.638 8.100 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -6.518 4.457 6.579 1.00 0.00 H new ATOM 0 HE1 TRP A 141 -4.904 5.363 8.387 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -7.577 1.144 10.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -4.200 4.698 11.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -6.434 1.297 12.492 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -4.746 3.067 12.903 1.00 0.00 H new ATOM 2215 N PHE A 142 -7.495 1.947 4.128 1.00 0.00 N ATOM 2216 CA PHE A 142 -6.963 2.670 2.931 1.00 0.00 C ATOM 2217 C PHE A 142 -7.489 4.090 2.966 1.00 0.00 C ATOM 2218 O PHE A 142 -8.672 4.305 3.076 1.00 0.00 O ATOM 2219 CB PHE A 142 -7.468 2.012 1.638 1.00 0.00 C ATOM 2220 CG PHE A 142 -6.322 1.441 0.824 1.00 0.00 C ATOM 2221 CD1 PHE A 142 -5.886 0.135 1.070 1.00 0.00 C ATOM 2222 CD2 PHE A 142 -5.708 2.200 -0.195 1.00 0.00 C ATOM 2223 CE1 PHE A 142 -4.852 -0.416 0.309 1.00 0.00 C ATOM 2224 CE2 PHE A 142 -4.680 1.644 -0.950 1.00 0.00 C ATOM 2225 CZ PHE A 142 -4.252 0.342 -0.707 1.00 0.00 C ATOM 0 H PHE A 142 -8.403 1.500 4.002 1.00 0.00 H new ATOM 0 HA PHE A 142 -5.874 2.643 2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.173 1.218 1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -8.010 2.746 1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -6.350 -0.449 1.851 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -6.036 3.211 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -4.515 -1.424 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -4.211 2.226 -1.729 1.00 0.00 H new ATOM 0 HZ PHE A 142 -3.457 -0.085 -1.301 1.00 0.00 H new ATOM 2235 N ASP A 143 -6.634 5.059 2.850 1.00 0.00 N ATOM 2236 CA ASP A 143 -7.114 6.463 2.875 1.00 0.00 C ATOM 2237 C ASP A 143 -6.223 7.297 1.968 1.00 0.00 C ATOM 2238 O ASP A 143 -5.074 7.557 2.255 1.00 0.00 O ATOM 2239 CB ASP A 143 -7.030 7.013 4.305 1.00 0.00 C ATOM 2240 CG ASP A 143 -5.567 7.204 4.704 1.00 0.00 C ATOM 2241 OD1 ASP A 143 -4.866 6.212 4.797 1.00 0.00 O ATOM 2242 OD2 ASP A 143 -5.175 8.340 4.910 1.00 0.00 O ATOM 0 H ASP A 143 -5.627 4.942 2.739 1.00 0.00 H new ATOM 0 HA ASP A 143 -8.148 6.505 2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -7.561 7.963 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -7.518 6.327 4.997 1.00 0.00 H new ATOM 2247 N MET A 144 -6.753 7.715 0.864 1.00 0.00 N ATOM 2248 CA MET A 144 -5.951 8.530 -0.073 1.00 0.00 C ATOM 2249 C MET A 144 -6.137 10.015 0.262 1.00 0.00 C ATOM 2250 O MET A 144 -7.147 10.609 -0.055 1.00 0.00 O ATOM 2251 CB MET A 144 -6.388 8.221 -1.509 1.00 0.00 C ATOM 2252 CG MET A 144 -7.725 7.462 -1.488 1.00 0.00 C ATOM 2253 SD MET A 144 -7.454 5.776 -0.867 1.00 0.00 S ATOM 2254 CE MET A 144 -9.139 5.135 -1.089 1.00 0.00 C ATOM 0 H MET A 144 -7.711 7.527 0.568 1.00 0.00 H new ATOM 0 HA MET A 144 -4.892 8.290 0.022 1.00 0.00 H new ATOM 0 HB2 MET A 144 -6.492 9.146 -2.075 1.00 0.00 H new ATOM 0 HB3 MET A 144 -5.627 7.624 -2.011 1.00 0.00 H new ATOM 0 HG2 MET A 144 -8.442 7.984 -0.854 1.00 0.00 H new ATOM 0 HG3 MET A 144 -8.152 7.428 -2.490 1.00 0.00 H new ATOM 0 HE1 MET A 144 -9.180 4.097 -0.760 1.00 0.00 H new ATOM 0 HE2 MET A 144 -9.835 5.730 -0.499 1.00 0.00 H new ATOM 0 HE3 MET A 144 -9.414 5.193 -2.142 1.00 0.00 H new ATOM 2264 N GLY A 145 -5.175 10.585 0.947 1.00 0.00 N ATOM 2265 CA GLY A 145 -5.268 12.024 1.361 1.00 0.00 C ATOM 2266 C GLY A 145 -6.067 12.817 0.317 1.00 0.00 C ATOM 2267 O GLY A 145 -6.793 13.738 0.635 1.00 0.00 O ATOM 0 H GLY A 145 -4.321 10.111 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -5.750 12.101 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -4.269 12.447 1.465 1.00 0.00 H new ATOM 2271 N SER A 146 -5.945 12.441 -0.923 1.00 0.00 N ATOM 2272 CA SER A 146 -6.691 13.123 -2.019 1.00 0.00 C ATOM 2273 C SER A 146 -7.706 12.140 -2.609 1.00 0.00 C ATOM 2274 O SER A 146 -7.749 10.989 -2.235 1.00 0.00 O ATOM 2275 CB SER A 146 -5.714 13.527 -3.122 1.00 0.00 C ATOM 2276 OG SER A 146 -4.925 14.628 -2.692 1.00 0.00 O ATOM 0 H SER A 146 -5.348 11.674 -1.231 1.00 0.00 H new ATOM 0 HA SER A 146 -7.195 14.006 -1.626 1.00 0.00 H new ATOM 0 HB2 SER A 146 -5.070 12.685 -3.376 1.00 0.00 H new ATOM 0 HB3 SER A 146 -6.262 13.793 -4.026 1.00 0.00 H new ATOM 0 HG SER A 146 -4.300 14.880 -3.403 1.00 0.00 H new ATOM 2282 N GLU A 147 -8.488 12.567 -3.569 1.00 0.00 N ATOM 2283 CA GLU A 147 -9.445 11.622 -4.224 1.00 0.00 C ATOM 2284 C GLU A 147 -9.147 11.524 -5.742 1.00 0.00 C ATOM 2285 O GLU A 147 -10.029 11.750 -6.548 1.00 0.00 O ATOM 2286 CB GLU A 147 -10.879 12.135 -4.027 1.00 0.00 C ATOM 2287 CG GLU A 147 -11.850 10.950 -3.982 1.00 0.00 C ATOM 2288 CD GLU A 147 -11.952 10.426 -2.549 1.00 0.00 C ATOM 2289 OE1 GLU A 147 -10.929 10.055 -1.997 1.00 0.00 O ATOM 2290 OE2 GLU A 147 -13.056 10.402 -2.026 1.00 0.00 O ATOM 0 H GLU A 147 -8.506 13.522 -3.926 1.00 0.00 H new ATOM 0 HA GLU A 147 -9.334 10.636 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -10.947 12.708 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -11.149 12.809 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -12.833 11.258 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -11.504 10.158 -4.646 1.00 0.00 H new ATOM 2297 N PRO A 148 -7.926 11.191 -6.159 1.00 0.00 N ATOM 2298 CA PRO A 148 -7.565 11.081 -7.591 1.00 0.00 C ATOM 2299 C PRO A 148 -7.607 9.639 -8.106 1.00 0.00 C ATOM 2300 O PRO A 148 -7.787 8.698 -7.360 1.00 0.00 O ATOM 2301 CB PRO A 148 -6.129 11.589 -7.605 1.00 0.00 C ATOM 2302 CG PRO A 148 -5.558 11.144 -6.299 1.00 0.00 C ATOM 2303 CD PRO A 148 -6.738 10.882 -5.346 1.00 0.00 C ATOM 0 HA PRO A 148 -8.256 11.630 -8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.570 11.174 -8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -6.093 12.674 -7.704 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.962 10.241 -6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.896 11.907 -5.890 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -6.749 9.849 -4.999 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -6.684 11.515 -4.460 1.00 0.00 H new ATOM 2311 N ASN A 149 -7.440 9.475 -9.377 1.00 0.00 N ATOM 2312 CA ASN A 149 -7.466 8.104 -9.953 1.00 0.00 C ATOM 2313 C ASN A 149 -6.145 7.412 -9.600 1.00 0.00 C ATOM 2314 O ASN A 149 -5.163 7.501 -10.309 1.00 0.00 O ATOM 2315 CB ASN A 149 -7.623 8.201 -11.469 1.00 0.00 C ATOM 2316 CG ASN A 149 -6.422 8.948 -12.052 1.00 0.00 C ATOM 2317 OD1 ASN A 149 -5.470 8.339 -12.497 1.00 0.00 O ATOM 2318 ND2 ASN A 149 -6.426 10.253 -12.058 1.00 0.00 N ATOM 0 H ASN A 149 -7.286 10.228 -10.048 1.00 0.00 H new ATOM 0 HA ASN A 149 -8.301 7.530 -9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -7.692 7.204 -11.904 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -8.547 8.723 -11.718 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -5.629 10.764 -12.437 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -7.227 10.762 -11.684 1.00 0.00 H new ATOM 2325 N PHE A 150 -6.129 6.724 -8.481 1.00 0.00 N ATOM 2326 CA PHE A 150 -4.893 6.018 -8.029 1.00 0.00 C ATOM 2327 C PHE A 150 -4.906 4.572 -8.533 1.00 0.00 C ATOM 2328 O PHE A 150 -5.895 3.872 -8.427 1.00 0.00 O ATOM 2329 CB PHE A 150 -4.825 6.056 -6.484 1.00 0.00 C ATOM 2330 CG PHE A 150 -5.580 4.884 -5.869 1.00 0.00 C ATOM 2331 CD1 PHE A 150 -6.909 4.616 -6.242 1.00 0.00 C ATOM 2332 CD2 PHE A 150 -4.942 4.047 -4.936 1.00 0.00 C ATOM 2333 CE1 PHE A 150 -7.589 3.521 -5.683 1.00 0.00 C ATOM 2334 CE2 PHE A 150 -5.626 2.957 -4.392 1.00 0.00 C ATOM 2335 CZ PHE A 150 -6.944 2.696 -4.764 1.00 0.00 C ATOM 0 H PHE A 150 -6.930 6.623 -7.858 1.00 0.00 H new ATOM 0 HA PHE A 150 -4.013 6.515 -8.437 1.00 0.00 H new ATOM 0 HB2 PHE A 150 -3.784 6.030 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 150 -5.247 6.994 -6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 150 -7.407 5.252 -6.959 1.00 0.00 H new ATOM 0 HD2 PHE A 150 -3.923 4.247 -4.640 1.00 0.00 H new ATOM 0 HE1 PHE A 150 -8.612 3.319 -5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 150 -5.131 2.313 -3.680 1.00 0.00 H new ATOM 0 HZ PHE A 150 -7.467 1.852 -4.339 1.00 0.00 H new ATOM 2345 N THR A 151 -3.811 4.116 -9.082 1.00 0.00 N ATOM 2346 CA THR A 151 -3.758 2.715 -9.582 1.00 0.00 C ATOM 2347 C THR A 151 -3.082 1.855 -8.518 1.00 0.00 C ATOM 2348 O THR A 151 -1.998 2.155 -8.061 1.00 0.00 O ATOM 2349 CB THR A 151 -2.948 2.651 -10.883 1.00 0.00 C ATOM 2350 OG1 THR A 151 -3.464 3.597 -11.809 1.00 0.00 O ATOM 2351 CG2 THR A 151 -3.052 1.245 -11.483 1.00 0.00 C ATOM 0 H THR A 151 -2.953 4.654 -9.205 1.00 0.00 H new ATOM 0 HA THR A 151 -4.767 2.353 -9.781 1.00 0.00 H new ATOM 0 HB THR A 151 -1.904 2.880 -10.670 1.00 0.00 H new ATOM 0 HG1 THR A 151 -3.182 3.355 -12.716 1.00 0.00 H new ATOM 0 HG21 THR A 151 -2.476 1.200 -12.407 1.00 0.00 H new ATOM 0 HG22 THR A 151 -2.658 0.517 -10.774 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.096 1.016 -11.695 1.00 0.00 H new ATOM 2359 N ALA A 152 -3.716 0.790 -8.117 1.00 0.00 N ATOM 2360 CA ALA A 152 -3.117 -0.092 -7.080 1.00 0.00 C ATOM 2361 C ALA A 152 -3.259 -1.551 -7.505 1.00 0.00 C ATOM 2362 O ALA A 152 -4.138 -1.901 -8.255 1.00 0.00 O ATOM 2363 CB ALA A 152 -3.806 0.133 -5.738 1.00 0.00 C ATOM 0 H ALA A 152 -4.627 0.492 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 152 -2.059 0.148 -6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -3.360 -0.518 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -3.684 1.173 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -4.868 -0.095 -5.831 1.00 0.00 H new ATOM 2369 N ILE A 153 -2.403 -2.391 -7.013 1.00 0.00 N ATOM 2370 CA ILE A 153 -2.481 -3.844 -7.360 1.00 0.00 C ATOM 2371 C ILE A 153 -2.547 -4.652 -6.071 1.00 0.00 C ATOM 2372 O ILE A 153 -1.726 -4.487 -5.214 1.00 0.00 O ATOM 2373 CB ILE A 153 -1.230 -4.246 -8.127 1.00 0.00 C ATOM 2374 CG1 ILE A 153 -1.017 -3.266 -9.278 1.00 0.00 C ATOM 2375 CG2 ILE A 153 -1.387 -5.669 -8.668 1.00 0.00 C ATOM 2376 CD1 ILE A 153 0.163 -3.719 -10.131 1.00 0.00 C ATOM 0 H ILE A 153 -1.644 -2.140 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 153 -3.364 -4.032 -7.970 1.00 0.00 H new ATOM 0 HB ILE A 153 -0.366 -4.220 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -1.918 -3.207 -9.889 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -0.832 -2.266 -8.886 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -0.488 -5.951 -9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -1.537 -6.359 -7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -2.247 -5.712 -9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 153 0.310 -3.016 -10.951 1.00 0.00 H new ATOM 0 HD12 ILE A 153 1.063 -3.755 -9.517 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -0.040 -4.711 -10.535 1.00 0.00 H new ATOM 2388 N ARG A 154 -3.502 -5.527 -5.927 1.00 0.00 N ATOM 2389 CA ARG A 154 -3.586 -6.331 -4.670 1.00 0.00 C ATOM 2390 C ARG A 154 -3.229 -7.785 -4.970 1.00 0.00 C ATOM 2391 O ARG A 154 -3.831 -8.428 -5.807 1.00 0.00 O ATOM 2392 CB ARG A 154 -5.007 -6.230 -4.114 1.00 0.00 C ATOM 2393 CG ARG A 154 -5.148 -7.079 -2.844 1.00 0.00 C ATOM 2394 CD ARG A 154 -6.619 -7.109 -2.404 1.00 0.00 C ATOM 2395 NE ARG A 154 -7.393 -8.038 -3.283 1.00 0.00 N ATOM 2396 CZ ARG A 154 -8.033 -7.589 -4.334 1.00 0.00 C ATOM 2397 NH1 ARG A 154 -8.001 -6.319 -4.641 1.00 0.00 N ATOM 2398 NH2 ARG A 154 -8.712 -8.417 -5.081 1.00 0.00 N ATOM 0 H ARG A 154 -4.226 -5.722 -6.619 1.00 0.00 H new ATOM 0 HA ARG A 154 -2.884 -5.948 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -5.244 -5.190 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -5.722 -6.566 -4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.793 -8.093 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -4.528 -6.666 -2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.691 -7.432 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -7.044 -6.107 -2.456 1.00 0.00 H new ATOM 0 HE ARG A 154 -7.423 -9.033 -3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -7.474 -5.667 -4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -8.503 -5.980 -5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -8.743 -9.409 -4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -9.212 -8.072 -5.900 1.00 0.00 H new ATOM 2412 N ILE A 155 -2.239 -8.303 -4.292 1.00 0.00 N ATOM 2413 CA ILE A 155 -1.818 -9.709 -4.529 1.00 0.00 C ATOM 2414 C ILE A 155 -1.878 -10.496 -3.218 1.00 0.00 C ATOM 2415 O ILE A 155 -1.336 -10.084 -2.212 1.00 0.00 O ATOM 2416 CB ILE A 155 -0.385 -9.718 -5.057 1.00 0.00 C ATOM 2417 CG1 ILE A 155 -0.284 -8.817 -6.292 1.00 0.00 C ATOM 2418 CG2 ILE A 155 -0.017 -11.145 -5.443 1.00 0.00 C ATOM 2419 CD1 ILE A 155 1.175 -8.444 -6.535 1.00 0.00 C ATOM 0 H ILE A 155 -1.703 -7.807 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 155 -2.486 -10.171 -5.256 1.00 0.00 H new ATOM 0 HB ILE A 155 0.294 -9.349 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -0.689 -9.331 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -0.881 -7.917 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 155 1.005 -11.167 -5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -0.093 -11.790 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -0.699 -11.500 -6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.245 -7.803 -7.414 1.00 0.00 H new ATOM 0 HD12 ILE A 155 1.564 -7.913 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.760 -9.349 -6.699 1.00 0.00 H new ATOM 2431 N PHE A 156 -2.525 -11.631 -3.219 1.00 0.00 N ATOM 2432 CA PHE A 156 -2.606 -12.434 -1.967 1.00 0.00 C ATOM 2433 C PHE A 156 -3.079 -13.853 -2.293 1.00 0.00 C ATOM 2434 O PHE A 156 -3.472 -14.142 -3.406 1.00 0.00 O ATOM 2435 CB PHE A 156 -3.593 -11.772 -1.005 1.00 0.00 C ATOM 2436 CG PHE A 156 -4.987 -11.873 -1.577 1.00 0.00 C ATOM 2437 CD1 PHE A 156 -5.347 -11.090 -2.681 1.00 0.00 C ATOM 2438 CD2 PHE A 156 -5.918 -12.747 -1.006 1.00 0.00 C ATOM 2439 CE1 PHE A 156 -6.638 -11.184 -3.214 1.00 0.00 C ATOM 2440 CE2 PHE A 156 -7.210 -12.840 -1.537 1.00 0.00 C ATOM 2441 CZ PHE A 156 -7.569 -12.059 -2.643 1.00 0.00 C ATOM 0 H PHE A 156 -2.998 -12.034 -4.028 1.00 0.00 H new ATOM 0 HA PHE A 156 -1.621 -12.483 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -3.551 -12.258 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -3.325 -10.727 -0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -4.629 -10.414 -3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -5.640 -13.351 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -6.916 -10.581 -4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -7.929 -13.513 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 156 -8.565 -12.132 -3.055 1.00 0.00 H new TER 2451 PHE A 156 HETATM 2452 FE FE2 A 180 -6.677 -5.289 3.705 1.00 0.00 FE HETATM 2453 O HOH A 181 -7.967 -5.947 2.328 1.00 0.00 O HETATM 2456 O HOH A 182 -6.533 -3.541 2.747 1.00 0.00 O