USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 GLN : amide:sc= -1.09 K(o=-0.23,f=-3) USER MOD Set 1.2: A 72 HIS : no HE2:sc= 0.861 K(o=-0.23,f=-7!) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -151:sc= 1.15 (180deg=-0.462) USER MOD Set 2.2: A 38 TYR OH : rot 100:sc= 1.06 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 49:sc= 1.03 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.2 K(o=-0.2,f=-3.2!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.1! C(o=-1.1!,f=-5.1!) USER MOD Single : A 29 HIS : no HE2:sc= -1.24! C(o=-1.2!,f=-9!) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc=-0.00555 (180deg=-0.0582) USER MOD Single : A 46 SER OG : rot -76:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.82 K(o=-1.8,f=-6.4!) USER MOD Single : A 66 ASN : amide:sc= -2.68 K(o=-2.7,f=-0.97) USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= 1.41 (180deg=1.21) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.612 K(o=0.61,f=-4.1!) USER MOD Single : A 77 SER OG : rot 79:sc= 1.27 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -127:sc= -0.0954 USER MOD Single : A 98 GLN : amide:sc=-0.00235 X(o=-0.0023,f=-0.42) USER MOD Single : A 100 GLN : amide:sc= 0.131 K(o=0.13,f=-0.61) USER MOD Single : A 101 LYS NZ :NH3+ -172:sc= 0.288 (180deg=0.123) USER MOD Single : A 105 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 114 GLN : amide:sc= -3.48! C(o=-3.5!,f=-3.2!) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -15.382 -23.095 -0.879 1.00 0.00 N ATOM 2 CA GLY A 4 -14.837 -23.061 0.499 1.00 0.00 C ATOM 3 C GLY A 4 -14.139 -21.751 0.791 1.00 0.00 C ATOM 4 O GLY A 4 -14.707 -20.679 0.580 1.00 0.00 O ATOM 0 HA2 GLY A 4 -15.646 -23.210 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.136 -23.885 0.634 1.00 0.00 H new ATOM 10 N ILE A 5 -12.902 -21.834 1.254 1.00 0.00 N ATOM 11 CA ILE A 5 -12.118 -20.652 1.574 1.00 0.00 C ATOM 12 C ILE A 5 -10.891 -20.585 0.676 1.00 0.00 C ATOM 13 O ILE A 5 -10.208 -21.589 0.472 1.00 0.00 O ATOM 14 CB ILE A 5 -11.651 -20.660 3.046 1.00 0.00 C ATOM 15 CG1 ILE A 5 -12.827 -20.944 3.982 1.00 0.00 C ATOM 16 CG2 ILE A 5 -11.001 -19.329 3.401 1.00 0.00 C ATOM 17 CD1 ILE A 5 -12.424 -21.109 5.432 1.00 0.00 C ATOM 0 H ILE A 5 -12.416 -22.716 1.418 1.00 0.00 H new ATOM 0 HA ILE A 5 -12.757 -19.784 1.413 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.914 -21.453 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.547 -20.129 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -13.334 -21.850 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.677 -19.349 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.139 -19.161 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.722 -18.523 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.310 -21.308 6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.728 -21.943 5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.944 -20.195 5.782 1.00 0.00 H new ATOM 29 N ASP A 6 -10.626 -19.410 0.135 1.00 0.00 N ATOM 30 CA ASP A 6 -9.438 -19.195 -0.678 1.00 0.00 C ATOM 31 C ASP A 6 -8.321 -18.676 0.219 1.00 0.00 C ATOM 32 O ASP A 6 -8.444 -17.606 0.815 1.00 0.00 O ATOM 33 CB ASP A 6 -9.734 -18.202 -1.804 1.00 0.00 C ATOM 34 CG ASP A 6 -8.757 -18.304 -2.960 1.00 0.00 C ATOM 35 OD1 ASP A 6 -8.401 -19.437 -3.348 1.00 0.00 O ATOM 36 OD2 ASP A 6 -8.367 -17.257 -3.514 1.00 0.00 O ATOM 0 H ASP A 6 -11.218 -18.586 0.243 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.129 -20.134 -1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.745 -18.373 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.708 -17.189 -1.403 1.00 0.00 H new ATOM 41 N PRO A 7 -7.225 -19.445 0.333 1.00 0.00 N ATOM 42 CA PRO A 7 -6.147 -19.178 1.298 1.00 0.00 C ATOM 43 C PRO A 7 -5.484 -17.822 1.085 1.00 0.00 C ATOM 44 O PRO A 7 -4.972 -17.214 2.025 1.00 0.00 O ATOM 45 CB PRO A 7 -5.145 -20.316 1.059 1.00 0.00 C ATOM 46 CG PRO A 7 -5.485 -20.874 -0.282 1.00 0.00 C ATOM 47 CD PRO A 7 -6.955 -20.633 -0.485 1.00 0.00 C ATOM 0 HA PRO A 7 -6.528 -19.142 2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.120 -19.947 1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.226 -21.079 1.833 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.901 -20.388 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.257 -21.939 -0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.192 -20.459 -1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.550 -21.487 -0.161 1.00 0.00 H new ATOM 55 N PHE A 8 -5.502 -17.365 -0.156 1.00 0.00 N ATOM 56 CA PHE A 8 -4.996 -16.051 -0.517 1.00 0.00 C ATOM 57 C PHE A 8 -5.478 -15.703 -1.906 1.00 0.00 C ATOM 58 O PHE A 8 -5.610 -16.580 -2.759 1.00 0.00 O ATOM 59 CB PHE A 8 -3.469 -15.986 -0.461 1.00 0.00 C ATOM 60 CG PHE A 8 -2.954 -15.050 0.595 1.00 0.00 C ATOM 61 CD1 PHE A 8 -3.137 -13.683 0.471 1.00 0.00 C ATOM 62 CD2 PHE A 8 -2.294 -15.535 1.715 1.00 0.00 C ATOM 63 CE1 PHE A 8 -2.673 -12.815 1.441 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.825 -14.673 2.687 1.00 0.00 C ATOM 65 CZ PHE A 8 -2.017 -13.311 2.551 1.00 0.00 C ATOM 0 H PHE A 8 -5.870 -17.897 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.374 -15.330 0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.076 -16.985 -0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.089 -15.671 -1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.649 -13.290 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.145 -16.599 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.823 -11.751 1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.309 -15.063 3.552 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.655 -12.635 3.312 1.00 0.00 H new ATOM 75 N THR A 9 -5.731 -14.431 -2.127 1.00 0.00 N ATOM 76 CA THR A 9 -6.343 -13.974 -3.349 1.00 0.00 C ATOM 77 C THR A 9 -6.132 -12.479 -3.491 1.00 0.00 C ATOM 78 O THR A 9 -6.228 -11.742 -2.509 1.00 0.00 O ATOM 79 CB THR A 9 -7.855 -14.299 -3.367 1.00 0.00 C ATOM 80 OG1 THR A 9 -8.495 -13.664 -4.481 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.521 -13.869 -2.067 1.00 0.00 C ATOM 0 H THR A 9 -5.517 -13.687 -1.463 1.00 0.00 H new ATOM 0 HA THR A 9 -5.876 -14.491 -4.187 1.00 0.00 H new ATOM 0 HB THR A 9 -7.963 -15.379 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.450 -13.882 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.584 -14.109 -2.106 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.061 -14.395 -1.231 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.396 -12.795 -1.932 1.00 0.00 H new ATOM 89 N MET A 10 -5.783 -12.058 -4.701 1.00 0.00 N ATOM 90 CA MET A 10 -5.616 -10.640 -5.020 1.00 0.00 C ATOM 91 C MET A 10 -4.584 -10.025 -4.091 1.00 0.00 C ATOM 92 O MET A 10 -4.789 -8.951 -3.526 1.00 0.00 O ATOM 93 CB MET A 10 -6.953 -9.898 -4.911 1.00 0.00 C ATOM 94 CG MET A 10 -8.030 -10.457 -5.825 1.00 0.00 C ATOM 95 SD MET A 10 -9.627 -9.657 -5.593 1.00 0.00 S ATOM 96 CE MET A 10 -10.625 -10.580 -6.760 1.00 0.00 C ATOM 0 H MET A 10 -5.608 -12.684 -5.487 1.00 0.00 H new ATOM 0 HA MET A 10 -5.266 -10.548 -6.048 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.302 -9.944 -3.880 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.796 -8.846 -5.148 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.717 -10.339 -6.862 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.135 -11.527 -5.644 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.649 -10.206 -6.739 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.215 -10.461 -7.763 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.619 -11.636 -6.489 1.00 0.00 H new ATOM 106 N LEU A 11 -3.482 -10.740 -3.935 1.00 0.00 N ATOM 107 CA LEU A 11 -2.418 -10.347 -3.031 1.00 0.00 C ATOM 108 C LEU A 11 -1.816 -9.001 -3.422 1.00 0.00 C ATOM 109 O LEU A 11 -1.748 -8.654 -4.604 1.00 0.00 O ATOM 110 CB LEU A 11 -1.354 -11.444 -2.992 1.00 0.00 C ATOM 111 CG LEU A 11 -0.938 -11.992 -4.355 1.00 0.00 C ATOM 112 CD1 LEU A 11 0.326 -11.310 -4.849 1.00 0.00 C ATOM 113 CD2 LEU A 11 -0.761 -13.497 -4.279 1.00 0.00 C ATOM 0 H LEU A 11 -3.301 -11.611 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.836 -10.223 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.469 -11.053 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.727 -12.269 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.727 -11.777 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.603 -11.717 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.149 -10.238 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.135 -11.484 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.464 -13.878 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.010 -13.736 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.702 -13.959 -3.979 1.00 0.00 H new ATOM 125 N PRO A 12 -1.408 -8.222 -2.413 1.00 0.00 N ATOM 126 CA PRO A 12 -0.831 -6.891 -2.608 1.00 0.00 C ATOM 127 C PRO A 12 0.561 -6.940 -3.214 1.00 0.00 C ATOM 128 O PRO A 12 1.326 -7.878 -2.980 1.00 0.00 O ATOM 129 CB PRO A 12 -0.754 -6.329 -1.191 1.00 0.00 C ATOM 130 CG PRO A 12 -0.649 -7.526 -0.326 1.00 0.00 C ATOM 131 CD PRO A 12 -1.483 -8.582 -0.988 1.00 0.00 C ATOM 0 HA PRO A 12 -1.427 -6.294 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.109 -5.674 -1.070 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.638 -5.740 -0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.387 -7.849 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.012 -7.315 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.089 -9.581 -0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.510 -8.572 -0.623 1.00 0.00 H new ATOM 139 N ARG A 13 0.887 -5.918 -3.979 1.00 0.00 N ATOM 140 CA ARG A 13 2.200 -5.811 -4.589 1.00 0.00 C ATOM 141 C ARG A 13 2.908 -4.554 -4.107 1.00 0.00 C ATOM 142 O ARG A 13 2.282 -3.510 -3.914 1.00 0.00 O ATOM 143 CB ARG A 13 2.086 -5.785 -6.114 1.00 0.00 C ATOM 144 CG ARG A 13 1.429 -7.023 -6.703 1.00 0.00 C ATOM 145 CD ARG A 13 1.440 -6.985 -8.222 1.00 0.00 C ATOM 146 NE ARG A 13 0.724 -5.824 -8.746 1.00 0.00 N ATOM 147 CZ ARG A 13 1.218 -4.996 -9.668 1.00 0.00 C ATOM 148 NH1 ARG A 13 2.420 -5.220 -10.181 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.508 -3.953 -10.080 1.00 0.00 N ATOM 0 H ARG A 13 0.258 -5.145 -4.195 1.00 0.00 H new ATOM 0 HA ARG A 13 2.782 -6.684 -4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.514 -4.906 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.083 -5.676 -6.541 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.951 -7.914 -6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.402 -7.096 -6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.471 -6.966 -8.577 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.986 -7.897 -8.611 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.211 -5.635 -8.385 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.965 -6.024 -9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.799 -4.588 -10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.419 -3.782 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.890 -3.323 -10.785 1.00 0.00 H new ATOM 163 N LEU A 14 4.212 -4.662 -3.908 1.00 0.00 N ATOM 164 CA LEU A 14 5.022 -3.506 -3.564 1.00 0.00 C ATOM 165 C LEU A 14 5.372 -2.767 -4.841 1.00 0.00 C ATOM 166 O LEU A 14 6.156 -3.245 -5.660 1.00 0.00 O ATOM 167 CB LEU A 14 6.290 -3.935 -2.823 1.00 0.00 C ATOM 168 CG LEU A 14 7.260 -2.806 -2.462 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.577 -1.765 -1.589 1.00 0.00 C ATOM 170 CD2 LEU A 14 8.479 -3.371 -1.756 1.00 0.00 C ATOM 0 H LEU A 14 4.731 -5.537 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 14 4.461 -2.848 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.998 -4.446 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.820 -4.662 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 14 7.580 -2.319 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.285 -0.973 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.728 -1.340 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.227 -2.234 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.162 -2.560 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.168 -3.880 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.984 -4.080 -2.413 1.00 0.00 H new ATOM 182 N CYS A 15 4.764 -1.611 -5.014 1.00 0.00 N ATOM 183 CA CYS A 15 4.830 -0.902 -6.271 1.00 0.00 C ATOM 184 C CYS A 15 5.699 0.345 -6.156 1.00 0.00 C ATOM 185 O CYS A 15 5.415 1.241 -5.363 1.00 0.00 O ATOM 186 CB CYS A 15 3.415 -0.531 -6.708 1.00 0.00 C ATOM 187 SG CYS A 15 2.229 -1.892 -6.576 1.00 0.00 S ATOM 0 H CYS A 15 4.216 -1.142 -4.293 1.00 0.00 H new ATOM 0 HA CYS A 15 5.287 -1.549 -7.019 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.065 0.304 -6.101 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.443 -0.185 -7.741 1.00 0.00 H new ATOM 0 HG CYS A 15 2.335 -2.448 -5.406 1.00 0.00 H new ATOM 193 N CYS A 16 6.769 0.386 -6.934 1.00 0.00 N ATOM 194 CA CYS A 16 7.635 1.551 -6.971 1.00 0.00 C ATOM 195 C CYS A 16 7.233 2.462 -8.120 1.00 0.00 C ATOM 196 O CYS A 16 6.994 2.004 -9.241 1.00 0.00 O ATOM 197 CB CYS A 16 9.101 1.135 -7.121 1.00 0.00 C ATOM 198 SG CYS A 16 10.278 2.506 -7.041 1.00 0.00 S ATOM 0 H CYS A 16 7.058 -0.375 -7.548 1.00 0.00 H new ATOM 0 HA CYS A 16 7.525 2.090 -6.030 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.344 0.417 -6.338 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.225 0.621 -8.074 1.00 0.00 H new ATOM 0 HG CYS A 16 11.487 2.048 -7.176 1.00 0.00 H new ATOM 204 N LEU A 17 7.145 3.746 -7.827 1.00 0.00 N ATOM 205 CA LEU A 17 6.815 4.744 -8.827 1.00 0.00 C ATOM 206 C LEU A 17 7.763 5.925 -8.705 1.00 0.00 C ATOM 207 O LEU A 17 8.291 6.195 -7.624 1.00 0.00 O ATOM 208 CB LEU A 17 5.363 5.218 -8.691 1.00 0.00 C ATOM 209 CG LEU A 17 4.897 5.561 -7.273 1.00 0.00 C ATOM 210 CD1 LEU A 17 3.818 6.622 -7.318 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.366 4.327 -6.565 1.00 0.00 C ATOM 0 H LEU A 17 7.300 4.125 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 17 6.924 4.287 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.229 6.099 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.710 4.441 -9.089 1.00 0.00 H new ATOM 0 HG LEU A 17 5.755 5.941 -6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.496 6.856 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.212 7.522 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.968 6.253 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.041 4.596 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.522 3.922 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.153 3.576 -6.503 1.00 0.00 H new ATOM 223 N GLU A 18 7.968 6.629 -9.807 1.00 0.00 N ATOM 224 CA GLU A 18 8.937 7.709 -9.845 1.00 0.00 C ATOM 225 C GLU A 18 8.241 9.045 -9.711 1.00 0.00 C ATOM 226 O GLU A 18 7.082 9.195 -10.091 1.00 0.00 O ATOM 227 CB GLU A 18 9.752 7.697 -11.142 1.00 0.00 C ATOM 228 CG GLU A 18 10.561 6.430 -11.365 1.00 0.00 C ATOM 229 CD GLU A 18 9.746 5.319 -11.987 1.00 0.00 C ATOM 230 OE1 GLU A 18 9.474 5.394 -13.203 1.00 0.00 O ATOM 231 OE2 GLU A 18 9.373 4.370 -11.270 1.00 0.00 O ATOM 0 H GLU A 18 7.476 6.471 -10.686 1.00 0.00 H new ATOM 0 HA GLU A 18 9.619 7.559 -9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.073 7.833 -11.984 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.430 8.550 -11.138 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.411 6.655 -12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.965 6.089 -10.412 1.00 0.00 H new ATOM 238 N LYS A 19 8.957 10.003 -9.158 1.00 0.00 N ATOM 239 CA LYS A 19 8.450 11.347 -8.993 1.00 0.00 C ATOM 240 C LYS A 19 8.742 12.166 -10.242 1.00 0.00 C ATOM 241 O LYS A 19 9.903 12.414 -10.568 1.00 0.00 O ATOM 242 CB LYS A 19 9.100 12.010 -7.777 1.00 0.00 C ATOM 243 CG LYS A 19 8.462 13.330 -7.385 1.00 0.00 C ATOM 244 CD LYS A 19 9.294 14.058 -6.348 1.00 0.00 C ATOM 245 CE LYS A 19 10.624 14.507 -6.931 1.00 0.00 C ATOM 246 NZ LYS A 19 11.457 15.226 -5.933 1.00 0.00 N ATOM 0 H LYS A 19 9.907 9.870 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 19 7.372 11.300 -8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.047 11.326 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.157 12.176 -7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.348 13.958 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.462 13.150 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.744 14.924 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.470 13.404 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.170 13.638 -7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.443 15.157 -7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.354 15.514 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.948 16.070 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.652 14.598 -5.127 1.00 0.00 H new ATOM 260 N GLY A 20 7.697 12.579 -10.934 1.00 0.00 N ATOM 261 CA GLY A 20 7.871 13.358 -12.139 1.00 0.00 C ATOM 262 C GLY A 20 7.894 14.850 -11.862 1.00 0.00 C ATOM 263 O GLY A 20 8.223 15.276 -10.752 1.00 0.00 O ATOM 0 H GLY A 20 6.727 12.389 -10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.802 13.067 -12.626 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.063 13.132 -12.835 1.00 0.00 H new ATOM 267 N PRO A 21 7.521 15.669 -12.855 1.00 0.00 N ATOM 268 CA PRO A 21 7.524 17.137 -12.736 1.00 0.00 C ATOM 269 C PRO A 21 6.521 17.626 -11.702 1.00 0.00 C ATOM 270 O PRO A 21 6.713 18.656 -11.054 1.00 0.00 O ATOM 271 CB PRO A 21 7.098 17.599 -14.134 1.00 0.00 C ATOM 272 CG PRO A 21 6.320 16.451 -14.673 1.00 0.00 C ATOM 273 CD PRO A 21 7.039 15.233 -14.176 1.00 0.00 C ATOM 0 HA PRO A 21 8.491 17.522 -12.413 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.493 18.504 -14.088 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.961 17.825 -14.760 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.289 16.472 -14.321 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.286 16.473 -15.762 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.376 14.371 -14.103 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.860 14.948 -14.835 1.00 0.00 H new ATOM 281 N ASN A 22 5.458 16.860 -11.544 1.00 0.00 N ATOM 282 CA ASN A 22 4.360 17.220 -10.666 1.00 0.00 C ATOM 283 C ASN A 22 4.234 16.208 -9.536 1.00 0.00 C ATOM 284 O ASN A 22 3.150 15.982 -8.996 1.00 0.00 O ATOM 285 CB ASN A 22 3.060 17.298 -11.476 1.00 0.00 C ATOM 286 CG ASN A 22 2.728 15.991 -12.178 1.00 0.00 C ATOM 287 OD1 ASN A 22 3.248 15.700 -13.254 1.00 0.00 O ATOM 288 ND2 ASN A 22 1.845 15.207 -11.589 1.00 0.00 N ATOM 0 H ASN A 22 5.331 15.968 -12.022 1.00 0.00 H new ATOM 0 HA ASN A 22 4.557 18.196 -10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.239 17.568 -10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.145 18.093 -12.217 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.573 14.327 -12.026 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.435 15.481 -10.696 1.00 0.00 H new ATOM 295 N GLY A 23 5.357 15.601 -9.181 1.00 0.00 N ATOM 296 CA GLY A 23 5.356 14.588 -8.152 1.00 0.00 C ATOM 297 C GLY A 23 4.941 13.240 -8.695 1.00 0.00 C ATOM 298 O GLY A 23 5.224 12.920 -9.847 1.00 0.00 O ATOM 0 H GLY A 23 6.271 15.795 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.351 14.513 -7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.677 14.883 -7.352 1.00 0.00 H new ATOM 302 N TYR A 24 4.260 12.451 -7.883 1.00 0.00 N ATOM 303 CA TYR A 24 3.883 11.105 -8.289 1.00 0.00 C ATOM 304 C TYR A 24 2.489 11.084 -8.903 1.00 0.00 C ATOM 305 O TYR A 24 2.151 10.182 -9.668 1.00 0.00 O ATOM 306 CB TYR A 24 3.949 10.148 -7.103 1.00 0.00 C ATOM 307 CG TYR A 24 5.307 10.082 -6.449 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.273 9.207 -6.917 1.00 0.00 C ATOM 309 CD2 TYR A 24 5.621 10.890 -5.364 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.516 9.137 -6.329 1.00 0.00 C ATOM 311 CE2 TYR A 24 6.865 10.829 -4.767 1.00 0.00 C ATOM 312 CZ TYR A 24 7.809 9.950 -5.254 1.00 0.00 C ATOM 313 OH TYR A 24 9.048 9.886 -4.664 1.00 0.00 O ATOM 0 H TYR A 24 3.958 12.714 -6.945 1.00 0.00 H new ATOM 0 HA TYR A 24 4.594 10.776 -9.047 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.213 10.454 -6.360 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.668 9.149 -7.438 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.047 8.568 -7.758 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.881 11.577 -4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.258 8.449 -6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.096 11.465 -3.925 1.00 0.00 H new ATOM 0 HH TYR A 24 9.090 10.525 -3.922 1.00 0.00 H new ATOM 323 N GLY A 25 1.685 12.085 -8.563 1.00 0.00 N ATOM 324 CA GLY A 25 0.356 12.192 -9.128 1.00 0.00 C ATOM 325 C GLY A 25 -0.687 11.400 -8.359 1.00 0.00 C ATOM 326 O GLY A 25 -1.665 10.936 -8.936 1.00 0.00 O ATOM 0 H GLY A 25 1.932 12.824 -7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.062 13.241 -9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.378 11.844 -10.161 1.00 0.00 H new ATOM 330 N PHE A 26 -0.492 11.245 -7.057 1.00 0.00 N ATOM 331 CA PHE A 26 -1.470 10.545 -6.236 1.00 0.00 C ATOM 332 C PHE A 26 -1.793 11.368 -4.998 1.00 0.00 C ATOM 333 O PHE A 26 -1.013 12.229 -4.591 1.00 0.00 O ATOM 334 CB PHE A 26 -0.966 9.144 -5.840 1.00 0.00 C ATOM 335 CG PHE A 26 0.049 9.132 -4.726 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.386 9.383 -4.982 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.342 8.859 -3.422 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.317 9.367 -3.959 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.584 8.841 -2.396 1.00 0.00 C ATOM 340 CZ PHE A 26 1.914 9.095 -2.665 1.00 0.00 C ATOM 0 H PHE A 26 0.324 11.590 -6.551 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.380 10.415 -6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.820 8.536 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.528 8.669 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.706 9.594 -5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.381 8.658 -3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.357 9.567 -4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.268 8.629 -1.385 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.639 9.081 -1.865 1.00 0.00 H new ATOM 350 N HIS A 27 -2.953 11.110 -4.420 1.00 0.00 N ATOM 351 CA HIS A 27 -3.402 11.819 -3.231 1.00 0.00 C ATOM 352 C HIS A 27 -3.788 10.810 -2.156 1.00 0.00 C ATOM 353 O HIS A 27 -4.306 9.738 -2.471 1.00 0.00 O ATOM 354 CB HIS A 27 -4.585 12.735 -3.564 1.00 0.00 C ATOM 355 CG HIS A 27 -4.291 13.723 -4.654 1.00 0.00 C ATOM 356 ND1 HIS A 27 -3.725 14.959 -4.427 1.00 0.00 N ATOM 357 CD2 HIS A 27 -4.491 13.645 -5.991 1.00 0.00 C ATOM 358 CE1 HIS A 27 -3.594 15.599 -5.578 1.00 0.00 C ATOM 359 NE2 HIS A 27 -4.051 14.820 -6.543 1.00 0.00 N ATOM 0 H HIS A 27 -3.609 10.406 -4.759 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.590 12.444 -2.858 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.436 12.122 -3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.880 13.276 -2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.919 12.810 -6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.183 16.590 -5.707 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.073 15.055 -7.535 1.00 0.00 H new ATOM 368 N LEU A 28 -3.538 11.144 -0.898 1.00 0.00 N ATOM 369 CA LEU A 28 -3.695 10.185 0.192 1.00 0.00 C ATOM 370 C LEU A 28 -4.669 10.691 1.257 1.00 0.00 C ATOM 371 O LEU A 28 -4.626 11.857 1.646 1.00 0.00 O ATOM 372 CB LEU A 28 -2.327 9.922 0.827 1.00 0.00 C ATOM 373 CG LEU A 28 -2.274 8.767 1.823 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.426 7.436 1.103 1.00 0.00 C ATOM 375 CD2 LEU A 28 -0.976 8.807 2.611 1.00 0.00 C ATOM 0 H LEU A 28 -3.226 12.070 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.106 9.264 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.609 9.725 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.001 10.830 1.333 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.103 8.873 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.386 6.623 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.383 7.411 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.618 7.318 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.953 7.977 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.132 8.724 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.910 9.749 3.156 1.00 0.00 H new ATOM 387 N HIS A 29 -5.540 9.805 1.734 1.00 0.00 N ATOM 388 CA HIS A 29 -6.446 10.136 2.833 1.00 0.00 C ATOM 389 C HIS A 29 -6.430 9.017 3.863 1.00 0.00 C ATOM 390 O HIS A 29 -6.378 7.844 3.509 1.00 0.00 O ATOM 391 CB HIS A 29 -7.883 10.398 2.337 1.00 0.00 C ATOM 392 CG HIS A 29 -8.655 9.175 1.918 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.854 8.804 2.493 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.412 8.257 0.953 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.310 7.718 1.900 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.455 7.366 0.963 1.00 0.00 N ATOM 0 H HIS A 29 -5.638 8.854 1.378 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.095 11.059 3.294 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.436 10.902 3.129 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.838 11.085 1.492 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -10.316 9.294 3.259 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.555 8.231 0.296 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.229 7.205 2.142 1.00 0.00 H new ATOM 405 N GLY A 30 -6.459 9.380 5.129 1.00 0.00 N ATOM 406 CA GLY A 30 -6.397 8.382 6.180 1.00 0.00 C ATOM 407 C GLY A 30 -7.652 8.341 7.019 1.00 0.00 C ATOM 408 O GLY A 30 -7.738 7.569 7.975 1.00 0.00 O ATOM 0 H GLY A 30 -6.524 10.345 5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.230 7.401 5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.542 8.590 6.823 1.00 0.00 H new ATOM 412 N GLU A 31 -8.624 9.170 6.647 1.00 0.00 N ATOM 413 CA GLU A 31 -9.892 9.278 7.371 1.00 0.00 C ATOM 414 C GLU A 31 -9.660 9.669 8.834 1.00 0.00 C ATOM 415 O GLU A 31 -8.558 10.076 9.215 1.00 0.00 O ATOM 416 CB GLU A 31 -10.656 7.952 7.286 1.00 0.00 C ATOM 417 CG GLU A 31 -10.970 7.521 5.864 1.00 0.00 C ATOM 418 CD GLU A 31 -11.829 8.526 5.129 1.00 0.00 C ATOM 419 OE1 GLU A 31 -11.269 9.485 4.553 1.00 0.00 O ATOM 420 OE2 GLU A 31 -13.064 8.353 5.115 1.00 0.00 O ATOM 0 H GLU A 31 -8.557 9.786 5.837 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.488 10.063 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.069 7.172 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.588 8.043 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.038 7.376 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.480 6.558 5.884 1.00 0.00 H new ATOM 427 N LYS A 32 -10.709 9.584 9.642 1.00 0.00 N ATOM 428 CA LYS A 32 -10.589 9.845 11.065 1.00 0.00 C ATOM 429 C LYS A 32 -11.259 8.724 11.845 1.00 0.00 C ATOM 430 O LYS A 32 -12.385 8.328 11.537 1.00 0.00 O ATOM 431 CB LYS A 32 -11.220 11.185 11.437 1.00 0.00 C ATOM 432 CG LYS A 32 -10.671 11.757 12.732 1.00 0.00 C ATOM 433 CD LYS A 32 -9.254 12.279 12.543 1.00 0.00 C ATOM 434 CE LYS A 32 -8.618 12.704 13.860 1.00 0.00 C ATOM 435 NZ LYS A 32 -9.406 13.755 14.560 1.00 0.00 N ATOM 0 H LYS A 32 -11.649 9.337 9.334 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.530 9.889 11.318 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.050 11.898 10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.299 11.060 11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.316 12.564 13.079 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.679 10.988 13.505 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.642 11.505 12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.269 13.127 11.858 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.520 11.834 14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.611 13.075 13.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.875 14.094 15.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.580 14.549 13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.315 13.357 14.872 1.00 0.00 H new ATOM 449 N GLY A 33 -10.574 8.224 12.858 1.00 0.00 N ATOM 450 CA GLY A 33 -11.049 7.054 13.574 1.00 0.00 C ATOM 451 C GLY A 33 -10.402 5.788 13.051 1.00 0.00 C ATOM 452 O GLY A 33 -10.364 4.761 13.730 1.00 0.00 O ATOM 0 H GLY A 33 -9.693 8.607 13.201 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.833 7.163 14.637 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.132 6.979 13.475 1.00 0.00 H new ATOM 456 N LYS A 34 -9.899 5.864 11.827 1.00 0.00 N ATOM 457 CA LYS A 34 -9.178 4.758 11.222 1.00 0.00 C ATOM 458 C LYS A 34 -7.709 4.824 11.620 1.00 0.00 C ATOM 459 O LYS A 34 -7.272 5.791 12.250 1.00 0.00 O ATOM 460 CB LYS A 34 -9.308 4.803 9.696 1.00 0.00 C ATOM 461 CG LYS A 34 -10.731 5.026 9.205 1.00 0.00 C ATOM 462 CD LYS A 34 -11.693 3.981 9.743 1.00 0.00 C ATOM 463 CE LYS A 34 -11.469 2.617 9.109 1.00 0.00 C ATOM 464 NZ LYS A 34 -11.660 2.647 7.631 1.00 0.00 N ATOM 0 H LYS A 34 -9.979 6.688 11.231 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.608 3.822 11.579 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.672 5.600 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.933 3.867 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.067 6.017 9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.745 5.004 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.574 3.902 10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.718 4.303 9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.460 2.273 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.158 1.896 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.984 1.715 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.371 3.366 7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.758 2.882 7.169 1.00 0.00 H new ATOM 478 N LEU A 35 -6.952 3.807 11.250 1.00 0.00 N ATOM 479 CA LEU A 35 -5.544 3.743 11.611 1.00 0.00 C ATOM 480 C LEU A 35 -4.689 3.423 10.393 1.00 0.00 C ATOM 481 O LEU A 35 -3.533 3.047 10.520 1.00 0.00 O ATOM 482 CB LEU A 35 -5.300 2.703 12.719 1.00 0.00 C ATOM 483 CG LEU A 35 -5.533 1.228 12.347 1.00 0.00 C ATOM 484 CD1 LEU A 35 -4.888 0.323 13.382 1.00 0.00 C ATOM 485 CD2 LEU A 35 -7.018 0.903 12.245 1.00 0.00 C ATOM 0 H LEU A 35 -7.286 3.015 10.701 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.256 4.722 11.993 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.271 2.808 13.064 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.946 2.947 13.563 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.079 1.058 11.371 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.058 -0.719 13.111 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.816 0.518 13.419 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.326 0.519 14.361 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.143 -0.147 11.981 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.499 1.096 13.204 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.475 1.527 11.477 1.00 0.00 H new ATOM 497 N GLY A 36 -5.265 3.593 9.213 1.00 0.00 N ATOM 498 CA GLY A 36 -4.552 3.281 7.992 1.00 0.00 C ATOM 499 C GLY A 36 -4.785 4.325 6.927 1.00 0.00 C ATOM 500 O GLY A 36 -5.741 5.093 7.009 1.00 0.00 O ATOM 0 H GLY A 36 -6.214 3.942 9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.485 3.208 8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.872 2.307 7.623 1.00 0.00 H new ATOM 504 N GLN A 37 -3.921 4.354 5.924 1.00 0.00 N ATOM 505 CA GLN A 37 -4.036 5.338 4.857 1.00 0.00 C ATOM 506 C GLN A 37 -4.616 4.696 3.608 1.00 0.00 C ATOM 507 O GLN A 37 -4.369 3.525 3.326 1.00 0.00 O ATOM 508 CB GLN A 37 -2.670 5.949 4.531 1.00 0.00 C ATOM 509 CG GLN A 37 -2.013 6.686 5.687 1.00 0.00 C ATOM 510 CD GLN A 37 -2.911 7.732 6.315 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.979 8.872 5.851 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.576 7.363 7.398 1.00 0.00 N ATOM 0 H GLN A 37 -3.135 3.711 5.826 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.703 6.130 5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.002 5.155 4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.786 6.640 3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.718 5.964 6.449 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.101 7.165 5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.491 6.409 7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.174 8.033 7.882 1.00 0.00 H new ATOM 521 N TYR A 38 -5.405 5.461 2.873 1.00 0.00 N ATOM 522 CA TYR A 38 -6.020 4.976 1.647 1.00 0.00 C ATOM 523 C TYR A 38 -5.746 5.953 0.514 1.00 0.00 C ATOM 524 O TYR A 38 -5.594 7.156 0.744 1.00 0.00 O ATOM 525 CB TYR A 38 -7.533 4.836 1.832 1.00 0.00 C ATOM 526 CG TYR A 38 -7.934 4.250 3.164 1.00 0.00 C ATOM 527 CD1 TYR A 38 -7.925 2.880 3.373 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.321 5.075 4.214 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.286 2.346 4.593 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.683 4.551 5.438 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.666 3.183 5.623 1.00 0.00 C ATOM 532 OH TYR A 38 -9.026 2.650 6.840 1.00 0.00 O ATOM 0 H TYR A 38 -5.636 6.427 3.105 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.595 4.002 1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.995 5.817 1.724 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.930 4.207 1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.631 2.221 2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.339 6.145 4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.271 1.276 4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.977 5.206 6.245 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.273 2.721 7.464 1.00 0.00 H new ATOM 542 N ILE A 39 -5.689 5.441 -0.705 1.00 0.00 N ATOM 543 CA ILE A 39 -5.506 6.288 -1.874 1.00 0.00 C ATOM 544 C ILE A 39 -6.774 7.099 -2.123 1.00 0.00 C ATOM 545 O ILE A 39 -7.862 6.536 -2.226 1.00 0.00 O ATOM 546 CB ILE A 39 -5.185 5.458 -3.137 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.976 4.545 -2.902 1.00 0.00 C ATOM 548 CG2 ILE A 39 -4.931 6.379 -4.323 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.668 5.289 -2.754 1.00 0.00 C ATOM 0 H ILE A 39 -5.767 4.445 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.663 6.949 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.047 4.828 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.150 3.952 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.893 3.846 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.706 5.781 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.818 6.984 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.087 7.032 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.860 4.576 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.470 5.860 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.730 5.968 -1.904 1.00 0.00 H new ATOM 561 N ARG A 40 -6.634 8.415 -2.196 1.00 0.00 N ATOM 562 CA ARG A 40 -7.782 9.296 -2.384 1.00 0.00 C ATOM 563 C ARG A 40 -8.009 9.550 -3.867 1.00 0.00 C ATOM 564 O ARG A 40 -9.144 9.655 -4.322 1.00 0.00 O ATOM 565 CB ARG A 40 -7.556 10.626 -1.656 1.00 0.00 C ATOM 566 CG ARG A 40 -8.819 11.239 -1.054 1.00 0.00 C ATOM 567 CD ARG A 40 -9.840 11.653 -2.104 1.00 0.00 C ATOM 568 NE ARG A 40 -9.317 12.667 -3.018 1.00 0.00 N ATOM 569 CZ ARG A 40 -9.329 13.978 -2.765 1.00 0.00 C ATOM 570 NH1 ARG A 40 -9.814 14.435 -1.618 1.00 0.00 N ATOM 571 NH2 ARG A 40 -8.850 14.833 -3.660 1.00 0.00 N ATOM 0 H ARG A 40 -5.738 8.898 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.665 8.811 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.827 10.471 -0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.118 11.339 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.276 10.520 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.545 12.110 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.147 10.776 -2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.731 12.039 -1.609 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.919 12.354 -3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.180 13.784 -0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.820 15.438 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.472 14.489 -4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.860 15.834 -3.465 1.00 0.00 H new ATOM 585 N LEU A 41 -6.921 9.651 -4.616 1.00 0.00 N ATOM 586 CA LEU A 41 -7.007 9.898 -6.046 1.00 0.00 C ATOM 587 C LEU A 41 -5.689 9.587 -6.725 1.00 0.00 C ATOM 588 O LEU A 41 -4.622 9.742 -6.129 1.00 0.00 O ATOM 589 CB LEU A 41 -7.374 11.357 -6.331 1.00 0.00 C ATOM 590 CG LEU A 41 -7.458 11.701 -7.819 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.782 11.249 -8.408 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.231 13.182 -8.047 1.00 0.00 C ATOM 0 H LEU A 41 -5.970 9.566 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.786 9.246 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.334 11.577 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.634 12.005 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.665 11.161 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.816 11.506 -9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.882 10.170 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.600 11.747 -7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.296 13.400 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.990 13.753 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.243 13.460 -7.679 1.00 0.00 H new ATOM 604 N VAL A 42 -5.777 9.143 -7.965 1.00 0.00 N ATOM 605 CA VAL A 42 -4.615 8.995 -8.817 1.00 0.00 C ATOM 606 C VAL A 42 -4.838 9.772 -10.105 1.00 0.00 C ATOM 607 O VAL A 42 -5.791 9.505 -10.840 1.00 0.00 O ATOM 608 CB VAL A 42 -4.320 7.519 -9.144 1.00 0.00 C ATOM 609 CG1 VAL A 42 -3.092 7.397 -10.029 1.00 0.00 C ATOM 610 CG2 VAL A 42 -4.140 6.716 -7.869 1.00 0.00 C ATOM 0 H VAL A 42 -6.656 8.875 -8.408 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.752 9.388 -8.280 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.173 7.115 -9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.903 6.346 -10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.260 7.936 -10.961 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.230 7.822 -9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.932 5.676 -8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.307 7.124 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.051 6.770 -7.273 1.00 0.00 H new ATOM 620 N GLU A 43 -3.979 10.752 -10.347 1.00 0.00 N ATOM 621 CA GLU A 43 -4.072 11.581 -11.538 1.00 0.00 C ATOM 622 C GLU A 43 -3.850 10.720 -12.774 1.00 0.00 C ATOM 623 O GLU A 43 -2.877 9.970 -12.846 1.00 0.00 O ATOM 624 CB GLU A 43 -3.034 12.706 -11.483 1.00 0.00 C ATOM 625 CG GLU A 43 -3.132 13.578 -10.237 1.00 0.00 C ATOM 626 CD GLU A 43 -4.364 14.461 -10.211 1.00 0.00 C ATOM 627 OE1 GLU A 43 -5.069 14.556 -11.238 1.00 0.00 O ATOM 628 OE2 GLU A 43 -4.623 15.083 -9.157 1.00 0.00 O ATOM 0 H GLU A 43 -3.205 10.993 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.064 12.030 -11.586 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.037 12.269 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.149 13.336 -12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.135 12.938 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.243 14.206 -10.172 1.00 0.00 H new ATOM 635 N PRO A 44 -4.760 10.793 -13.749 1.00 0.00 N ATOM 636 CA PRO A 44 -4.683 9.968 -14.952 1.00 0.00 C ATOM 637 C PRO A 44 -3.422 10.237 -15.766 1.00 0.00 C ATOM 638 O PRO A 44 -3.103 11.383 -16.089 1.00 0.00 O ATOM 639 CB PRO A 44 -5.931 10.349 -15.747 1.00 0.00 C ATOM 640 CG PRO A 44 -6.361 11.662 -15.199 1.00 0.00 C ATOM 641 CD PRO A 44 -5.931 11.681 -13.761 1.00 0.00 C ATOM 0 HA PRO A 44 -4.637 8.907 -14.705 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.712 10.420 -16.812 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.714 9.600 -15.632 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.904 12.482 -15.752 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.441 11.783 -15.283 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.676 12.688 -13.430 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.718 11.318 -13.100 1.00 0.00 H new ATOM 649 N GLY A 45 -2.707 9.168 -16.070 1.00 0.00 N ATOM 650 CA GLY A 45 -1.508 9.266 -16.877 1.00 0.00 C ATOM 651 C GLY A 45 -0.264 9.563 -16.064 1.00 0.00 C ATOM 652 O GLY A 45 0.798 9.831 -16.629 1.00 0.00 O ATOM 0 H GLY A 45 -2.938 8.221 -15.769 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.365 8.331 -17.419 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.643 10.050 -17.623 1.00 0.00 H new ATOM 656 N SER A 46 -0.385 9.510 -14.744 1.00 0.00 N ATOM 657 CA SER A 46 0.738 9.807 -13.867 1.00 0.00 C ATOM 658 C SER A 46 1.610 8.566 -13.671 1.00 0.00 C ATOM 659 O SER A 46 1.187 7.449 -13.986 1.00 0.00 O ATOM 660 CB SER A 46 0.228 10.307 -12.512 1.00 0.00 C ATOM 661 OG SER A 46 -0.555 9.318 -11.868 1.00 0.00 O ATOM 0 H SER A 46 -1.248 9.265 -14.259 1.00 0.00 H new ATOM 0 HA SER A 46 1.342 10.586 -14.331 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.073 10.577 -11.878 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.365 11.210 -12.654 1.00 0.00 H new ATOM 0 HG SER A 46 -1.437 9.272 -12.292 1.00 0.00 H new ATOM 667 N PRO A 47 2.839 8.739 -13.162 1.00 0.00 N ATOM 668 CA PRO A 47 3.720 7.616 -12.829 1.00 0.00 C ATOM 669 C PRO A 47 3.080 6.659 -11.821 1.00 0.00 C ATOM 670 O PRO A 47 3.391 5.466 -11.797 1.00 0.00 O ATOM 671 CB PRO A 47 4.964 8.283 -12.227 1.00 0.00 C ATOM 672 CG PRO A 47 4.555 9.682 -11.911 1.00 0.00 C ATOM 673 CD PRO A 47 3.481 10.036 -12.895 1.00 0.00 C ATOM 0 HA PRO A 47 3.942 7.005 -13.704 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.295 7.759 -11.330 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.797 8.267 -12.930 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.186 9.758 -10.888 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.401 10.364 -11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.777 10.758 -12.482 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.894 10.477 -13.802 1.00 0.00 H new ATOM 681 N ALA A 48 2.164 7.180 -11.009 1.00 0.00 N ATOM 682 CA ALA A 48 1.472 6.370 -10.017 1.00 0.00 C ATOM 683 C ALA A 48 0.596 5.314 -10.687 1.00 0.00 C ATOM 684 O ALA A 48 0.417 4.215 -10.160 1.00 0.00 O ATOM 685 CB ALA A 48 0.635 7.248 -9.097 1.00 0.00 C ATOM 0 H ALA A 48 1.885 8.161 -11.020 1.00 0.00 H new ATOM 0 HA ALA A 48 2.225 5.857 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.126 6.624 -8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.283 7.958 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.104 7.792 -9.686 1.00 0.00 H new ATOM 691 N GLU A 49 0.070 5.645 -11.861 1.00 0.00 N ATOM 692 CA GLU A 49 -0.771 4.720 -12.608 1.00 0.00 C ATOM 693 C GLU A 49 0.050 3.556 -13.151 1.00 0.00 C ATOM 694 O GLU A 49 -0.464 2.452 -13.333 1.00 0.00 O ATOM 695 CB GLU A 49 -1.481 5.430 -13.759 1.00 0.00 C ATOM 696 CG GLU A 49 -2.429 6.530 -13.313 1.00 0.00 C ATOM 697 CD GLU A 49 -3.759 6.462 -14.031 1.00 0.00 C ATOM 698 OE1 GLU A 49 -3.822 6.861 -15.215 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.745 5.999 -13.419 1.00 0.00 O ATOM 0 H GLU A 49 0.212 6.547 -12.315 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.522 4.332 -11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.732 5.857 -14.426 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.040 4.694 -14.337 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.594 6.452 -12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.968 7.501 -13.496 1.00 0.00 H new ATOM 706 N LYS A 50 1.330 3.809 -13.405 1.00 0.00 N ATOM 707 CA LYS A 50 2.233 2.775 -13.907 1.00 0.00 C ATOM 708 C LYS A 50 2.430 1.698 -12.855 1.00 0.00 C ATOM 709 O LYS A 50 2.528 0.512 -13.167 1.00 0.00 O ATOM 710 CB LYS A 50 3.596 3.364 -14.261 1.00 0.00 C ATOM 711 CG LYS A 50 3.547 4.555 -15.195 1.00 0.00 C ATOM 712 CD LYS A 50 4.948 5.059 -15.480 1.00 0.00 C ATOM 713 CE LYS A 50 4.940 6.341 -16.285 1.00 0.00 C ATOM 714 NZ LYS A 50 6.321 6.787 -16.600 1.00 0.00 N ATOM 0 H LYS A 50 1.767 4.721 -13.272 1.00 0.00 H new ATOM 0 HA LYS A 50 1.782 2.348 -14.803 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.098 3.662 -13.341 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.205 2.585 -14.719 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.058 4.274 -16.128 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.951 5.351 -14.749 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.471 5.226 -14.538 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.504 4.295 -16.022 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.384 6.189 -17.210 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.422 7.121 -15.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.284 7.668 -17.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.842 6.955 -15.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.806 6.052 -17.153 1.00 0.00 H new ATOM 728 N ALA A 51 2.484 2.135 -11.603 1.00 0.00 N ATOM 729 CA ALA A 51 2.727 1.241 -10.483 1.00 0.00 C ATOM 730 C ALA A 51 1.461 0.482 -10.097 1.00 0.00 C ATOM 731 O ALA A 51 1.519 -0.535 -9.412 1.00 0.00 O ATOM 732 CB ALA A 51 3.269 2.034 -9.303 1.00 0.00 C ATOM 0 H ALA A 51 2.361 3.112 -11.339 1.00 0.00 H new ATOM 0 HA ALA A 51 3.469 0.501 -10.782 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.450 1.361 -8.465 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.203 2.518 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.543 2.792 -9.009 1.00 0.00 H new ATOM 738 N GLY A 52 0.320 0.980 -10.551 1.00 0.00 N ATOM 739 CA GLY A 52 -0.937 0.300 -10.297 1.00 0.00 C ATOM 740 C GLY A 52 -1.692 0.874 -9.118 1.00 0.00 C ATOM 741 O GLY A 52 -2.429 0.161 -8.436 1.00 0.00 O ATOM 0 H GLY A 52 0.240 1.842 -11.090 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.563 0.361 -11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.742 -0.757 -10.117 1.00 0.00 H new ATOM 745 N LEU A 53 -1.513 2.162 -8.869 1.00 0.00 N ATOM 746 CA LEU A 53 -2.230 2.830 -7.793 1.00 0.00 C ATOM 747 C LEU A 53 -3.607 3.279 -8.267 1.00 0.00 C ATOM 748 O LEU A 53 -3.756 3.778 -9.385 1.00 0.00 O ATOM 749 CB LEU A 53 -1.445 4.037 -7.265 1.00 0.00 C ATOM 750 CG LEU A 53 -0.342 3.722 -6.247 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.759 2.873 -6.864 1.00 0.00 C ATOM 752 CD2 LEU A 53 0.236 5.008 -5.681 1.00 0.00 C ATOM 0 H LEU A 53 -0.880 2.764 -9.395 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.346 2.113 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.994 4.553 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.149 4.732 -6.807 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.790 3.148 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.524 2.669 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.338 1.932 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.205 3.409 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.018 4.769 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.658 5.604 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.553 5.575 -5.187 1.00 0.00 H new ATOM 764 N LEU A 54 -4.607 3.089 -7.419 1.00 0.00 N ATOM 765 CA LEU A 54 -5.966 3.506 -7.727 1.00 0.00 C ATOM 766 C LEU A 54 -6.652 3.963 -6.446 1.00 0.00 C ATOM 767 O LEU A 54 -6.407 3.413 -5.370 1.00 0.00 O ATOM 768 CB LEU A 54 -6.731 2.347 -8.387 1.00 0.00 C ATOM 769 CG LEU A 54 -8.011 2.726 -9.149 1.00 0.00 C ATOM 770 CD1 LEU A 54 -8.305 1.692 -10.222 1.00 0.00 C ATOM 771 CD2 LEU A 54 -9.200 2.839 -8.207 1.00 0.00 C ATOM 0 H LEU A 54 -4.501 2.646 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.951 4.340 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.057 1.842 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.994 1.625 -7.614 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.849 3.698 -9.615 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.214 1.970 -10.756 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.471 1.648 -10.923 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.441 0.715 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.090 3.108 -8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.362 1.883 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.001 3.607 -7.460 1.00 0.00 H new ATOM 783 N ALA A 55 -7.479 4.996 -6.561 1.00 0.00 N ATOM 784 CA ALA A 55 -8.186 5.556 -5.416 1.00 0.00 C ATOM 785 C ALA A 55 -9.076 4.514 -4.752 1.00 0.00 C ATOM 786 O ALA A 55 -10.155 4.185 -5.255 1.00 0.00 O ATOM 787 CB ALA A 55 -9.004 6.764 -5.843 1.00 0.00 C ATOM 0 H ALA A 55 -7.677 5.466 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.445 5.874 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.527 7.173 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.342 7.523 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.730 6.463 -6.598 1.00 0.00 H new ATOM 793 N GLY A 56 -8.610 4.000 -3.626 1.00 0.00 N ATOM 794 CA GLY A 56 -9.335 2.976 -2.913 1.00 0.00 C ATOM 795 C GLY A 56 -8.401 2.000 -2.232 1.00 0.00 C ATOM 796 O GLY A 56 -8.720 1.471 -1.166 1.00 0.00 O ATOM 0 H GLY A 56 -7.731 4.279 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.982 3.440 -2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.981 2.438 -3.606 1.00 0.00 H new ATOM 800 N ASP A 57 -7.237 1.775 -2.836 1.00 0.00 N ATOM 801 CA ASP A 57 -6.250 0.840 -2.289 1.00 0.00 C ATOM 802 C ASP A 57 -5.777 1.287 -0.913 1.00 0.00 C ATOM 803 O ASP A 57 -5.611 2.485 -0.657 1.00 0.00 O ATOM 804 CB ASP A 57 -5.048 0.695 -3.232 1.00 0.00 C ATOM 805 CG ASP A 57 -5.391 -0.044 -4.512 1.00 0.00 C ATOM 806 OD1 ASP A 57 -5.420 -1.293 -4.498 1.00 0.00 O ATOM 807 OD2 ASP A 57 -5.643 0.620 -5.541 1.00 0.00 O ATOM 0 H ASP A 57 -6.951 2.226 -3.705 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.737 -0.130 -2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.666 1.685 -3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.248 0.165 -2.715 1.00 0.00 H new ATOM 812 N ARG A 58 -5.580 0.323 -0.022 1.00 0.00 N ATOM 813 CA ARG A 58 -5.120 0.610 1.327 1.00 0.00 C ATOM 814 C ARG A 58 -3.599 0.605 1.381 1.00 0.00 C ATOM 815 O ARG A 58 -2.957 -0.373 0.999 1.00 0.00 O ATOM 816 CB ARG A 58 -5.671 -0.410 2.328 1.00 0.00 C ATOM 817 CG ARG A 58 -5.183 -0.169 3.750 1.00 0.00 C ATOM 818 CD ARG A 58 -5.678 -1.233 4.718 1.00 0.00 C ATOM 819 NE ARG A 58 -5.135 -1.030 6.063 1.00 0.00 N ATOM 820 CZ ARG A 58 -5.233 -1.919 7.055 1.00 0.00 C ATOM 821 NH1 ARG A 58 -5.868 -3.068 6.871 1.00 0.00 N ATOM 822 NH2 ARG A 58 -4.691 -1.660 8.242 1.00 0.00 N ATOM 0 H ARG A 58 -5.733 -0.667 -0.212 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.489 1.599 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.760 -0.375 2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.380 -1.413 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.093 -0.151 3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.521 0.811 4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.767 -1.212 4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.391 -2.219 4.354 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.651 -0.153 6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.287 -3.280 5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.937 -3.740 7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.199 -0.780 8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.768 -2.341 8.997 1.00 0.00 H new ATOM 836 N LEU A 59 -3.037 1.699 1.861 1.00 0.00 N ATOM 837 CA LEU A 59 -1.598 1.838 1.995 1.00 0.00 C ATOM 838 C LEU A 59 -1.117 1.088 3.234 1.00 0.00 C ATOM 839 O LEU A 59 -1.450 1.454 4.361 1.00 0.00 O ATOM 840 CB LEU A 59 -1.237 3.323 2.087 1.00 0.00 C ATOM 841 CG LEU A 59 0.255 3.643 2.115 1.00 0.00 C ATOM 842 CD1 LEU A 59 0.929 3.201 0.824 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.462 5.131 2.345 1.00 0.00 C ATOM 0 H LEU A 59 -3.564 2.516 2.169 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.105 1.410 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.684 3.840 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.694 3.734 2.987 1.00 0.00 H new ATOM 0 HG LEU A 59 0.713 3.093 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.992 3.440 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.804 2.126 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.475 3.721 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.529 5.351 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.010 5.693 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.016 5.418 3.297 1.00 0.00 H new ATOM 855 N VAL A 60 -0.361 0.020 3.017 1.00 0.00 N ATOM 856 CA VAL A 60 0.104 -0.820 4.114 1.00 0.00 C ATOM 857 C VAL A 60 1.586 -0.623 4.417 1.00 0.00 C ATOM 858 O VAL A 60 2.021 -0.883 5.531 1.00 0.00 O ATOM 859 CB VAL A 60 -0.203 -2.317 3.892 1.00 0.00 C ATOM 860 CG1 VAL A 60 -1.677 -2.583 4.132 1.00 0.00 C ATOM 861 CG2 VAL A 60 0.191 -2.763 2.497 1.00 0.00 C ATOM 0 H VAL A 60 -0.057 -0.285 2.093 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.462 -0.490 4.985 1.00 0.00 H new ATOM 0 HB VAL A 60 0.388 -2.893 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.886 -3.641 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.934 -2.312 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.272 -1.988 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.039 -3.821 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.364 -2.184 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.260 -2.605 2.353 1.00 0.00 H new ATOM 871 N GLU A 61 2.372 -0.211 3.429 1.00 0.00 N ATOM 872 CA GLU A 61 3.789 0.095 3.668 1.00 0.00 C ATOM 873 C GLU A 61 4.265 1.237 2.776 1.00 0.00 C ATOM 874 O GLU A 61 3.752 1.431 1.672 1.00 0.00 O ATOM 875 CB GLU A 61 4.648 -1.157 3.439 1.00 0.00 C ATOM 876 CG GLU A 61 6.139 -0.934 3.603 1.00 0.00 C ATOM 877 CD GLU A 61 6.926 -1.206 2.341 1.00 0.00 C ATOM 878 OE1 GLU A 61 7.292 -2.376 2.109 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.206 -0.245 1.598 1.00 0.00 O ATOM 0 H GLU A 61 2.064 -0.080 2.465 1.00 0.00 H new ATOM 0 HA GLU A 61 3.897 0.413 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.330 -1.933 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.458 -1.534 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.313 0.095 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.510 -1.578 4.400 1.00 0.00 H new ATOM 886 N VAL A 62 5.248 1.989 3.272 1.00 0.00 N ATOM 887 CA VAL A 62 5.862 3.071 2.514 1.00 0.00 C ATOM 888 C VAL A 62 7.378 3.032 2.678 1.00 0.00 C ATOM 889 O VAL A 62 7.890 3.241 3.782 1.00 0.00 O ATOM 890 CB VAL A 62 5.359 4.463 2.960 1.00 0.00 C ATOM 891 CG1 VAL A 62 5.995 5.562 2.121 1.00 0.00 C ATOM 892 CG2 VAL A 62 3.845 4.553 2.884 1.00 0.00 C ATOM 0 H VAL A 62 5.637 1.863 4.206 1.00 0.00 H new ATOM 0 HA VAL A 62 5.581 2.921 1.472 1.00 0.00 H new ATOM 0 HB VAL A 62 5.655 4.602 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.626 6.533 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.078 5.527 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.737 5.415 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.523 5.544 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.521 4.380 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.403 3.800 3.536 1.00 0.00 H new ATOM 902 N ASN A 63 8.079 2.749 1.586 1.00 0.00 N ATOM 903 CA ASN A 63 9.543 2.750 1.558 1.00 0.00 C ATOM 904 C ASN A 63 10.143 1.802 2.590 1.00 0.00 C ATOM 905 O ASN A 63 11.125 2.133 3.256 1.00 0.00 O ATOM 906 CB ASN A 63 10.107 4.162 1.761 1.00 0.00 C ATOM 907 CG ASN A 63 10.013 5.020 0.515 1.00 0.00 C ATOM 908 OD1 ASN A 63 9.986 4.512 -0.607 1.00 0.00 O ATOM 909 ND2 ASN A 63 9.984 6.332 0.697 1.00 0.00 N ATOM 0 H ASN A 63 7.650 2.511 0.691 1.00 0.00 H new ATOM 0 HA ASN A 63 9.828 2.394 0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.568 4.650 2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.150 4.090 2.069 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.938 6.958 -0.107 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.008 6.717 1.641 1.00 0.00 H new ATOM 916 N GLY A 64 9.549 0.630 2.730 1.00 0.00 N ATOM 917 CA GLY A 64 10.153 -0.404 3.545 1.00 0.00 C ATOM 918 C GLY A 64 9.565 -0.526 4.938 1.00 0.00 C ATOM 919 O GLY A 64 9.886 -1.476 5.654 1.00 0.00 O ATOM 0 H GLY A 64 8.662 0.374 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.047 -1.361 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.221 -0.205 3.631 1.00 0.00 H new ATOM 923 N GLU A 65 8.701 0.404 5.338 1.00 0.00 N ATOM 924 CA GLU A 65 8.135 0.356 6.673 1.00 0.00 C ATOM 925 C GLU A 65 6.635 0.401 6.587 1.00 0.00 C ATOM 926 O GLU A 65 6.057 1.266 5.923 1.00 0.00 O ATOM 927 CB GLU A 65 8.657 1.488 7.563 1.00 0.00 C ATOM 928 CG GLU A 65 8.301 1.292 9.032 1.00 0.00 C ATOM 929 CD GLU A 65 8.704 2.454 9.916 1.00 0.00 C ATOM 930 OE1 GLU A 65 9.800 3.018 9.716 1.00 0.00 O ATOM 931 OE2 GLU A 65 7.919 2.819 10.818 1.00 0.00 O ATOM 0 H GLU A 65 8.385 1.186 4.764 1.00 0.00 H new ATOM 0 HA GLU A 65 8.447 -0.580 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.740 1.555 7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.246 2.436 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.226 1.137 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.784 0.385 9.396 1.00 0.00 H new ATOM 938 N ASN A 66 6.020 -0.546 7.253 1.00 0.00 N ATOM 939 CA ASN A 66 4.596 -0.716 7.192 1.00 0.00 C ATOM 940 C ASN A 66 3.878 0.419 7.890 1.00 0.00 C ATOM 941 O ASN A 66 4.257 0.836 8.983 1.00 0.00 O ATOM 942 CB ASN A 66 4.215 -2.056 7.791 1.00 0.00 C ATOM 943 CG ASN A 66 4.787 -3.209 6.997 1.00 0.00 C ATOM 944 OD1 ASN A 66 5.825 -3.768 7.345 1.00 0.00 O ATOM 945 ND2 ASN A 66 4.133 -3.547 5.899 1.00 0.00 N ATOM 0 H ASN A 66 6.497 -1.219 7.852 1.00 0.00 H new ATOM 0 HA ASN A 66 4.286 -0.698 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.573 -2.110 8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.129 -2.143 7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.487 -4.297 5.305 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.275 -3.058 5.646 1.00 0.00 H new ATOM 952 N VAL A 67 2.849 0.912 7.231 1.00 0.00 N ATOM 953 CA VAL A 67 2.069 2.028 7.721 1.00 0.00 C ATOM 954 C VAL A 67 0.620 1.597 7.932 1.00 0.00 C ATOM 955 O VAL A 67 -0.302 2.413 7.923 1.00 0.00 O ATOM 956 CB VAL A 67 2.136 3.216 6.738 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.583 3.636 6.515 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.478 2.868 5.411 1.00 0.00 C ATOM 0 H VAL A 67 2.529 0.546 6.334 1.00 0.00 H new ATOM 0 HA VAL A 67 2.487 2.351 8.674 1.00 0.00 H new ATOM 0 HB VAL A 67 1.589 4.050 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.615 4.475 5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.026 3.935 7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.145 2.799 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.540 3.724 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.990 2.016 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.431 2.614 5.579 1.00 0.00 H new ATOM 968 N GLU A 68 0.449 0.292 8.133 1.00 0.00 N ATOM 969 CA GLU A 68 -0.864 -0.328 8.319 1.00 0.00 C ATOM 970 C GLU A 68 -1.636 0.330 9.453 1.00 0.00 C ATOM 971 O GLU A 68 -2.868 0.396 9.422 1.00 0.00 O ATOM 972 CB GLU A 68 -0.690 -1.801 8.668 1.00 0.00 C ATOM 973 CG GLU A 68 0.246 -2.555 7.748 1.00 0.00 C ATOM 974 CD GLU A 68 0.908 -3.704 8.467 1.00 0.00 C ATOM 975 OE1 GLU A 68 1.832 -3.443 9.270 1.00 0.00 O ATOM 976 OE2 GLU A 68 0.490 -4.859 8.263 1.00 0.00 O ATOM 0 H GLU A 68 1.223 -0.371 8.172 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.418 -0.206 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.317 -1.878 9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.667 -2.284 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.309 -2.931 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.007 -1.876 7.363 1.00 0.00 H new ATOM 983 N LYS A 69 -0.901 0.780 10.462 1.00 0.00 N ATOM 984 CA LYS A 69 -1.495 1.349 11.662 1.00 0.00 C ATOM 985 C LYS A 69 -0.814 2.674 11.995 1.00 0.00 C ATOM 986 O LYS A 69 -0.861 3.158 13.129 1.00 0.00 O ATOM 987 CB LYS A 69 -1.358 0.358 12.824 1.00 0.00 C ATOM 988 CG LYS A 69 0.083 0.073 13.225 1.00 0.00 C ATOM 989 CD LYS A 69 0.329 -1.410 13.447 1.00 0.00 C ATOM 990 CE LYS A 69 0.499 -2.147 12.128 1.00 0.00 C ATOM 991 NZ LYS A 69 1.771 -1.783 11.437 1.00 0.00 N ATOM 0 H LYS A 69 0.119 0.761 10.471 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.555 1.539 11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.895 0.750 13.688 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.840 -0.580 12.548 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.755 0.440 12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.321 0.621 14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.221 -1.545 14.059 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.505 -1.840 14.001 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.481 -3.222 12.310 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.344 -1.920 11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.910 -2.405 10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.722 -0.794 11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.568 -1.896 12.095 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.190 3.248 10.978 1.00 0.00 N ATOM 1006 CA GLU A 70 0.613 4.453 11.121 1.00 0.00 C ATOM 1007 C GLU A 70 -0.204 5.680 10.718 1.00 0.00 C ATOM 1008 O GLU A 70 -1.221 5.559 10.034 1.00 0.00 O ATOM 1009 CB GLU A 70 1.875 4.326 10.255 1.00 0.00 C ATOM 1010 CG GLU A 70 2.992 3.474 10.870 1.00 0.00 C ATOM 1011 CD GLU A 70 2.511 2.195 11.550 1.00 0.00 C ATOM 1012 OE1 GLU A 70 1.980 1.289 10.865 1.00 0.00 O ATOM 1013 OE2 GLU A 70 2.669 2.094 12.790 1.00 0.00 O ATOM 0 H GLU A 70 -0.227 2.889 10.024 1.00 0.00 H new ATOM 0 HA GLU A 70 0.911 4.574 12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.597 3.896 9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.265 5.324 10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.703 3.209 10.087 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.532 4.077 11.600 1.00 0.00 H new ATOM 1020 N THR A 71 0.238 6.860 11.140 1.00 0.00 N ATOM 1021 CA THR A 71 -0.557 8.067 10.950 1.00 0.00 C ATOM 1022 C THR A 71 -0.249 8.741 9.621 1.00 0.00 C ATOM 1023 O THR A 71 0.768 8.450 8.988 1.00 0.00 O ATOM 1024 CB THR A 71 -0.326 9.091 12.075 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.989 9.649 11.963 1.00 0.00 O ATOM 1026 CG2 THR A 71 -0.495 8.448 13.441 1.00 0.00 C ATOM 0 H THR A 71 1.131 7.006 11.610 1.00 0.00 H new ATOM 0 HA THR A 71 -1.597 7.742 10.964 1.00 0.00 H new ATOM 0 HB THR A 71 -1.069 9.882 11.973 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.130 10.301 12.681 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.326 9.194 14.218 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.506 8.050 13.533 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.225 7.638 13.553 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.117 9.657 9.214 1.00 0.00 N ATOM 1035 CA HIS A 72 -0.931 10.390 7.970 1.00 0.00 C ATOM 1036 C HIS A 72 0.394 11.146 7.986 1.00 0.00 C ATOM 1037 O HIS A 72 1.166 11.080 7.029 1.00 0.00 O ATOM 1038 CB HIS A 72 -2.098 11.362 7.757 1.00 0.00 C ATOM 1039 CG HIS A 72 -2.062 12.088 6.442 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.569 11.555 5.275 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.591 13.316 6.119 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.410 12.424 4.291 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.821 13.499 4.778 1.00 0.00 N ATOM 0 H HIS A 72 -1.960 9.911 9.730 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.908 9.679 7.145 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.035 10.809 7.829 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.098 12.095 8.564 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -2.999 10.635 5.185 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.122 14.020 6.791 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.711 12.278 3.264 1.00 0.00 H new ATOM 1052 N GLN A 73 0.658 11.836 9.092 1.00 0.00 N ATOM 1053 CA GLN A 73 1.866 12.640 9.233 1.00 0.00 C ATOM 1054 C GLN A 73 3.116 11.768 9.119 1.00 0.00 C ATOM 1055 O GLN A 73 4.099 12.152 8.482 1.00 0.00 O ATOM 1056 CB GLN A 73 1.862 13.363 10.580 1.00 0.00 C ATOM 1057 CG GLN A 73 2.859 14.507 10.654 1.00 0.00 C ATOM 1058 CD GLN A 73 2.907 15.155 12.026 1.00 0.00 C ATOM 1059 OE1 GLN A 73 2.169 16.102 12.307 1.00 0.00 O ATOM 1060 NE2 GLN A 73 3.779 14.654 12.891 1.00 0.00 N ATOM 0 H GLN A 73 0.046 11.853 9.908 1.00 0.00 H new ATOM 0 HA GLN A 73 1.881 13.376 8.429 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.861 13.750 10.773 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.084 12.645 11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.851 14.136 10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.598 15.260 9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.372 13.870 12.621 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.856 15.053 13.827 1.00 0.00 H new ATOM 1069 N GLN A 74 3.065 10.594 9.740 1.00 0.00 N ATOM 1070 CA GLN A 74 4.174 9.650 9.688 1.00 0.00 C ATOM 1071 C GLN A 74 4.407 9.176 8.257 1.00 0.00 C ATOM 1072 O GLN A 74 5.545 9.111 7.791 1.00 0.00 O ATOM 1073 CB GLN A 74 3.893 8.451 10.599 1.00 0.00 C ATOM 1074 CG GLN A 74 3.928 8.787 12.080 1.00 0.00 C ATOM 1075 CD GLN A 74 3.580 7.595 12.948 1.00 0.00 C ATOM 1076 OE1 GLN A 74 2.813 6.721 12.545 1.00 0.00 O ATOM 1077 NE2 GLN A 74 4.135 7.553 14.145 1.00 0.00 N ATOM 0 H GLN A 74 2.265 10.274 10.286 1.00 0.00 H new ATOM 0 HA GLN A 74 5.074 10.156 10.038 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.914 8.040 10.352 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.627 7.671 10.395 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.921 9.149 12.345 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.229 9.598 12.283 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.766 8.298 14.441 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.933 6.776 14.774 1.00 0.00 H new ATOM 1086 N VAL A 75 3.319 8.865 7.559 1.00 0.00 N ATOM 1087 CA VAL A 75 3.400 8.409 6.175 1.00 0.00 C ATOM 1088 C VAL A 75 3.972 9.493 5.263 1.00 0.00 C ATOM 1089 O VAL A 75 4.859 9.221 4.452 1.00 0.00 O ATOM 1090 CB VAL A 75 2.021 7.966 5.642 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.108 7.594 4.169 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.496 6.796 6.456 1.00 0.00 C ATOM 0 H VAL A 75 2.370 8.920 7.929 1.00 0.00 H new ATOM 0 HA VAL A 75 4.071 7.550 6.168 1.00 0.00 H new ATOM 0 HB VAL A 75 1.327 8.801 5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.125 7.285 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.447 8.457 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.815 6.774 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.523 6.492 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.192 5.960 6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.396 7.095 7.500 1.00 0.00 H new ATOM 1102 N VAL A 76 3.475 10.719 5.408 1.00 0.00 N ATOM 1103 CA VAL A 76 3.929 11.831 4.578 1.00 0.00 C ATOM 1104 C VAL A 76 5.426 12.068 4.753 1.00 0.00 C ATOM 1105 O VAL A 76 6.139 12.323 3.783 1.00 0.00 O ATOM 1106 CB VAL A 76 3.153 13.133 4.886 1.00 0.00 C ATOM 1107 CG1 VAL A 76 3.707 14.302 4.083 1.00 0.00 C ATOM 1108 CG2 VAL A 76 1.675 12.950 4.590 1.00 0.00 C ATOM 0 H VAL A 76 2.759 10.967 6.091 1.00 0.00 H new ATOM 0 HA VAL A 76 3.731 11.555 3.542 1.00 0.00 H new ATOM 0 HB VAL A 76 3.277 13.357 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.143 15.205 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.756 14.453 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.618 14.086 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.142 13.875 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.543 12.699 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.277 12.145 5.208 1.00 0.00 H new ATOM 1118 N SER A 77 5.901 11.944 5.985 1.00 0.00 N ATOM 1119 CA SER A 77 7.312 12.147 6.292 1.00 0.00 C ATOM 1120 C SER A 77 8.195 11.188 5.485 1.00 0.00 C ATOM 1121 O SER A 77 9.267 11.570 5.012 1.00 0.00 O ATOM 1122 CB SER A 77 7.551 11.960 7.790 1.00 0.00 C ATOM 1123 OG SER A 77 6.728 12.836 8.550 1.00 0.00 O ATOM 0 H SER A 77 5.327 11.702 6.793 1.00 0.00 H new ATOM 0 HA SER A 77 7.582 13.165 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.344 10.927 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.599 12.148 8.021 1.00 0.00 H new ATOM 0 HG SER A 77 5.818 12.474 8.594 1.00 0.00 H new ATOM 1129 N ARG A 78 7.719 9.958 5.317 1.00 0.00 N ATOM 1130 CA ARG A 78 8.434 8.933 4.558 1.00 0.00 C ATOM 1131 C ARG A 78 8.620 9.349 3.103 1.00 0.00 C ATOM 1132 O ARG A 78 9.626 9.021 2.478 1.00 0.00 O ATOM 1133 CB ARG A 78 7.676 7.611 4.615 1.00 0.00 C ATOM 1134 CG ARG A 78 7.320 7.183 6.023 1.00 0.00 C ATOM 1135 CD ARG A 78 6.557 5.874 6.030 1.00 0.00 C ATOM 1136 NE ARG A 78 6.107 5.519 7.368 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.879 4.917 8.261 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.163 4.712 7.996 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.381 4.554 9.433 1.00 0.00 N ATOM 0 H ARG A 78 6.829 9.642 5.702 1.00 0.00 H new ATOM 0 HA ARG A 78 9.418 8.811 5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.762 7.699 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.281 6.833 4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.230 7.078 6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.719 7.958 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.696 5.951 5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.193 5.080 5.638 1.00 0.00 H new ATOM 0 HE ARG A 78 5.148 5.745 7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.555 5.018 7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.758 4.249 8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.401 4.738 9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.977 4.091 10.119 1.00 0.00 H new ATOM 1153 N ILE A 79 7.636 10.057 2.567 1.00 0.00 N ATOM 1154 CA ILE A 79 7.655 10.474 1.169 1.00 0.00 C ATOM 1155 C ILE A 79 8.846 11.394 0.882 1.00 0.00 C ATOM 1156 O ILE A 79 9.400 11.378 -0.215 1.00 0.00 O ATOM 1157 CB ILE A 79 6.338 11.179 0.774 1.00 0.00 C ATOM 1158 CG1 ILE A 79 5.137 10.304 1.149 1.00 0.00 C ATOM 1159 CG2 ILE A 79 6.320 11.485 -0.720 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.796 10.947 0.858 1.00 0.00 C ATOM 0 H ILE A 79 6.808 10.357 3.082 1.00 0.00 H new ATOM 0 HA ILE A 79 7.758 9.572 0.566 1.00 0.00 H new ATOM 0 HB ILE A 79 6.273 12.120 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.203 9.361 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.192 10.064 2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.385 11.981 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.157 12.137 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.405 10.555 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.996 10.267 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.708 11.875 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.719 11.161 -0.208 1.00 0.00 H new ATOM 1172 N ARG A 80 9.248 12.180 1.879 1.00 0.00 N ATOM 1173 CA ARG A 80 10.394 13.080 1.725 1.00 0.00 C ATOM 1174 C ARG A 80 11.695 12.288 1.640 1.00 0.00 C ATOM 1175 O ARG A 80 12.692 12.776 1.111 1.00 0.00 O ATOM 1176 CB ARG A 80 10.493 14.082 2.883 1.00 0.00 C ATOM 1177 CG ARG A 80 9.390 15.128 2.920 1.00 0.00 C ATOM 1178 CD ARG A 80 8.088 14.545 3.430 1.00 0.00 C ATOM 1179 NE ARG A 80 7.072 15.569 3.649 1.00 0.00 N ATOM 1180 CZ ARG A 80 6.788 16.086 4.844 1.00 0.00 C ATOM 1181 NH1 ARG A 80 7.490 15.726 5.912 1.00 0.00 N ATOM 1182 NH2 ARG A 80 5.813 16.974 4.969 1.00 0.00 N ATOM 0 H ARG A 80 8.803 12.214 2.796 1.00 0.00 H new ATOM 0 HA ARG A 80 10.238 13.633 0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.483 13.531 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 80 11.455 14.591 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.694 15.956 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.240 15.536 1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.715 13.813 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.272 14.013 4.363 1.00 0.00 H new ATOM 0 HE ARG A 80 6.549 15.908 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.250 15.052 5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.270 16.124 6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.278 17.263 4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.597 17.369 5.884 1.00 0.00 H new ATOM 1196 N ALA A 81 11.685 11.065 2.162 1.00 0.00 N ATOM 1197 CA ALA A 81 12.866 10.216 2.126 1.00 0.00 C ATOM 1198 C ALA A 81 13.109 9.719 0.708 1.00 0.00 C ATOM 1199 O ALA A 81 14.239 9.428 0.322 1.00 0.00 O ATOM 1200 CB ALA A 81 12.724 9.051 3.091 1.00 0.00 C ATOM 0 H ALA A 81 10.873 10.643 2.613 1.00 0.00 H new ATOM 0 HA ALA A 81 13.728 10.805 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.619 8.430 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.596 9.431 4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.855 8.454 2.815 1.00 0.00 H new ATOM 1206 N ALA A 82 12.037 9.636 -0.063 1.00 0.00 N ATOM 1207 CA ALA A 82 12.132 9.274 -1.464 1.00 0.00 C ATOM 1208 C ALA A 82 12.734 10.427 -2.256 1.00 0.00 C ATOM 1209 O ALA A 82 12.205 11.539 -2.259 1.00 0.00 O ATOM 1210 CB ALA A 82 10.758 8.921 -1.999 1.00 0.00 C ATOM 0 H ALA A 82 11.087 9.816 0.262 1.00 0.00 H new ATOM 0 HA ALA A 82 12.780 8.404 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.836 8.650 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.354 8.079 -1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.095 9.780 -1.894 1.00 0.00 H new ATOM 1216 N LEU A 83 13.852 10.161 -2.914 1.00 0.00 N ATOM 1217 CA LEU A 83 14.555 11.192 -3.664 1.00 0.00 C ATOM 1218 C LEU A 83 13.864 11.456 -4.992 1.00 0.00 C ATOM 1219 O LEU A 83 13.396 12.564 -5.250 1.00 0.00 O ATOM 1220 CB LEU A 83 16.020 10.803 -3.911 1.00 0.00 C ATOM 1221 CG LEU A 83 16.947 10.827 -2.685 1.00 0.00 C ATOM 1222 CD1 LEU A 83 16.789 12.128 -1.911 1.00 0.00 C ATOM 1223 CD2 LEU A 83 16.702 9.625 -1.783 1.00 0.00 C ATOM 0 H LEU A 83 14.292 9.241 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 83 14.536 12.102 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.041 9.799 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.431 11.476 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 83 17.974 10.768 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 83 17.455 12.121 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 83 17.041 12.969 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.758 12.227 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.373 9.671 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 83 15.669 9.635 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.889 8.707 -2.341 1.00 0.00 H new ATOM 1235 N ASN A 84 13.793 10.434 -5.831 1.00 0.00 N ATOM 1236 CA ASN A 84 13.202 10.584 -7.152 1.00 0.00 C ATOM 1237 C ASN A 84 12.162 9.503 -7.417 1.00 0.00 C ATOM 1238 O ASN A 84 11.475 9.538 -8.436 1.00 0.00 O ATOM 1239 CB ASN A 84 14.284 10.553 -8.239 1.00 0.00 C ATOM 1240 CG ASN A 84 15.296 11.675 -8.089 1.00 0.00 C ATOM 1241 OD1 ASN A 84 15.105 12.780 -8.602 1.00 0.00 O ATOM 1242 ND2 ASN A 84 16.390 11.392 -7.401 1.00 0.00 N ATOM 0 H ASN A 84 14.135 9.496 -5.622 1.00 0.00 H new ATOM 0 HA ASN A 84 12.703 11.553 -7.182 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.802 9.595 -8.203 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.811 10.624 -9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.114 12.101 -7.279 1.00 0.00 H new ATOM 0 HD22 ASN A 84 16.510 10.465 -6.992 1.00 0.00 H new ATOM 1249 N ALA A 85 12.062 8.537 -6.512 1.00 0.00 N ATOM 1250 CA ALA A 85 11.047 7.490 -6.609 1.00 0.00 C ATOM 1251 C ALA A 85 10.681 6.970 -5.222 1.00 0.00 C ATOM 1252 O ALA A 85 11.489 7.041 -4.297 1.00 0.00 O ATOM 1253 CB ALA A 85 11.527 6.353 -7.498 1.00 0.00 C ATOM 0 H ALA A 85 12.673 8.455 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 85 10.154 7.921 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.755 5.585 -7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.734 6.735 -8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.436 5.922 -7.079 1.00 0.00 H new ATOM 1259 N VAL A 86 9.474 6.438 -5.084 1.00 0.00 N ATOM 1260 CA VAL A 86 8.995 5.944 -3.797 1.00 0.00 C ATOM 1261 C VAL A 86 8.420 4.538 -3.954 1.00 0.00 C ATOM 1262 O VAL A 86 7.835 4.210 -4.988 1.00 0.00 O ATOM 1263 CB VAL A 86 7.924 6.890 -3.186 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.650 6.891 -4.017 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.613 6.516 -1.745 1.00 0.00 C ATOM 0 H VAL A 86 8.806 6.337 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 86 9.845 5.913 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 86 8.340 7.897 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.920 7.562 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.875 7.230 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.240 5.882 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.861 7.197 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.234 5.495 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.521 6.588 -1.146 1.00 0.00 H new ATOM 1275 N ARG A 87 8.614 3.707 -2.942 1.00 0.00 N ATOM 1276 CA ARG A 87 8.076 2.356 -2.956 1.00 0.00 C ATOM 1277 C ARG A 87 6.824 2.303 -2.095 1.00 0.00 C ATOM 1278 O ARG A 87 6.878 2.562 -0.894 1.00 0.00 O ATOM 1279 CB ARG A 87 9.112 1.350 -2.440 1.00 0.00 C ATOM 1280 CG ARG A 87 10.484 1.508 -3.071 1.00 0.00 C ATOM 1281 CD ARG A 87 11.444 0.428 -2.596 1.00 0.00 C ATOM 1282 NE ARG A 87 12.837 0.774 -2.885 1.00 0.00 N ATOM 1283 CZ ARG A 87 13.758 -0.090 -3.313 1.00 0.00 C ATOM 1284 NH1 ARG A 87 13.445 -1.363 -3.509 1.00 0.00 N ATOM 1285 NH2 ARG A 87 15.003 0.326 -3.535 1.00 0.00 N ATOM 0 H ARG A 87 9.140 3.944 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 87 7.826 2.088 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.204 1.459 -1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.749 0.340 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.394 1.464 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.888 2.490 -2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.321 0.279 -1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.196 -0.517 -3.080 1.00 0.00 H new ATOM 0 HE ARG A 87 13.123 1.744 -2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.494 -1.687 -3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.155 -2.018 -3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.250 1.303 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.710 -0.332 -3.862 1.00 0.00 H new ATOM 1299 N LEU A 88 5.700 1.991 -2.711 1.00 0.00 N ATOM 1300 CA LEU A 88 4.431 1.979 -2.005 1.00 0.00 C ATOM 1301 C LEU A 88 3.795 0.600 -2.047 1.00 0.00 C ATOM 1302 O LEU A 88 3.577 0.033 -3.117 1.00 0.00 O ATOM 1303 CB LEU A 88 3.479 3.014 -2.607 1.00 0.00 C ATOM 1304 CG LEU A 88 3.956 4.464 -2.512 1.00 0.00 C ATOM 1305 CD1 LEU A 88 2.970 5.396 -3.199 1.00 0.00 C ATOM 1306 CD2 LEU A 88 4.144 4.872 -1.061 1.00 0.00 C ATOM 0 H LEU A 88 5.639 1.742 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 88 4.623 2.235 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.317 2.769 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.514 2.931 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 88 4.918 4.541 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.326 6.423 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.881 5.121 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.995 5.312 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.484 5.907 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.196 4.777 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.887 4.225 -0.595 1.00 0.00 H new ATOM 1318 N LEU A 89 3.520 0.058 -0.877 1.00 0.00 N ATOM 1319 CA LEU A 89 2.852 -1.225 -0.767 1.00 0.00 C ATOM 1320 C LEU A 89 1.387 -1.009 -0.426 1.00 0.00 C ATOM 1321 O LEU A 89 1.063 -0.436 0.617 1.00 0.00 O ATOM 1322 CB LEU A 89 3.520 -2.081 0.309 1.00 0.00 C ATOM 1323 CG LEU A 89 2.886 -3.451 0.551 1.00 0.00 C ATOM 1324 CD1 LEU A 89 3.119 -4.373 -0.632 1.00 0.00 C ATOM 1325 CD2 LEU A 89 3.441 -4.067 1.818 1.00 0.00 C ATOM 0 H LEU A 89 3.751 0.490 0.018 1.00 0.00 H new ATOM 0 HA LEU A 89 2.927 -1.747 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.565 -2.227 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.511 -1.526 1.247 1.00 0.00 H new ATOM 0 HG LEU A 89 1.811 -3.315 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.658 -5.341 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.676 -3.936 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.190 -4.505 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.982 -5.042 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.520 -4.185 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.221 -3.417 2.665 1.00 0.00 H new ATOM 1337 N VAL A 90 0.506 -1.448 -1.310 1.00 0.00 N ATOM 1338 CA VAL A 90 -0.926 -1.303 -1.097 1.00 0.00 C ATOM 1339 C VAL A 90 -1.645 -2.614 -1.346 1.00 0.00 C ATOM 1340 O VAL A 90 -1.134 -3.491 -2.038 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.556 -0.219 -2.007 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.017 1.164 -1.680 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.326 -0.545 -3.477 1.00 0.00 C ATOM 0 H VAL A 90 0.758 -1.909 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.045 -0.997 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.629 -0.215 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.480 1.900 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.247 1.408 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.063 1.177 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.777 0.230 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.255 -0.591 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.781 -1.507 -3.712 1.00 0.00 H new ATOM 1353 N VAL A 91 -2.830 -2.734 -0.773 1.00 0.00 N ATOM 1354 CA VAL A 91 -3.651 -3.915 -0.945 1.00 0.00 C ATOM 1355 C VAL A 91 -5.096 -3.502 -1.223 1.00 0.00 C ATOM 1356 O VAL A 91 -5.568 -2.482 -0.708 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.580 -4.831 0.304 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.116 -4.119 1.539 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.318 -6.142 0.060 1.00 0.00 C ATOM 0 H VAL A 91 -3.247 -2.018 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.270 -4.481 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.532 -5.066 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.054 -4.786 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.523 -3.225 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.156 -3.836 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.254 -6.767 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.365 -5.934 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.864 -6.664 -0.783 1.00 0.00 H new ATOM 1369 N ASP A 92 -5.770 -4.274 -2.071 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.169 -4.029 -2.418 1.00 0.00 C ATOM 1371 C ASP A 92 -8.031 -3.971 -1.163 1.00 0.00 C ATOM 1372 O ASP A 92 -8.024 -4.893 -0.349 1.00 0.00 O ATOM 1373 CB ASP A 92 -7.681 -5.134 -3.346 1.00 0.00 C ATOM 1374 CG ASP A 92 -6.928 -5.189 -4.658 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -5.762 -5.636 -4.662 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -7.490 -4.781 -5.695 1.00 0.00 O ATOM 0 H ASP A 92 -5.364 -5.086 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.233 -3.069 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.594 -6.096 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.740 -4.973 -3.546 1.00 0.00 H new ATOM 1381 N PRO A 93 -8.801 -2.875 -1.018 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.534 -2.549 0.216 1.00 0.00 C ATOM 1383 C PRO A 93 -10.527 -3.622 0.647 1.00 0.00 C ATOM 1384 O PRO A 93 -10.662 -3.894 1.837 1.00 0.00 O ATOM 1385 CB PRO A 93 -10.273 -1.251 -0.131 1.00 0.00 C ATOM 1386 CG PRO A 93 -10.292 -1.202 -1.620 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.024 -1.864 -2.065 1.00 0.00 C ATOM 0 HA PRO A 93 -8.849 -2.464 1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.284 -1.252 0.276 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.762 -0.383 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.164 -1.721 -2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.343 -0.173 -1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.129 -2.318 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.198 -1.156 -2.126 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.233 -4.208 -0.315 1.00 0.00 N ATOM 1396 CA GLU A 94 -12.193 -5.263 -0.011 1.00 0.00 C ATOM 1397 C GLU A 94 -11.469 -6.551 0.372 1.00 0.00 C ATOM 1398 O GLU A 94 -11.875 -7.259 1.293 1.00 0.00 O ATOM 1399 CB GLU A 94 -13.126 -5.521 -1.200 1.00 0.00 C ATOM 1400 CG GLU A 94 -12.398 -5.922 -2.471 1.00 0.00 C ATOM 1401 CD GLU A 94 -13.321 -6.515 -3.517 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -13.807 -7.649 -3.312 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -13.552 -5.862 -4.554 1.00 0.00 O ATOM 0 H GLU A 94 -11.159 -3.972 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.797 -4.930 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.832 -6.307 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.710 -4.621 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.898 -5.048 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.622 -6.647 -2.226 1.00 0.00 H new ATOM 1410 N THR A 95 -10.387 -6.831 -0.336 1.00 0.00 N ATOM 1411 CA THR A 95 -9.634 -8.051 -0.150 1.00 0.00 C ATOM 1412 C THR A 95 -8.863 -8.030 1.169 1.00 0.00 C ATOM 1413 O THR A 95 -8.747 -9.047 1.845 1.00 0.00 O ATOM 1414 CB THR A 95 -8.670 -8.259 -1.326 1.00 0.00 C ATOM 1415 OG1 THR A 95 -9.299 -7.807 -2.535 1.00 0.00 O ATOM 1416 CG2 THR A 95 -8.308 -9.725 -1.470 1.00 0.00 C ATOM 0 H THR A 95 -10.009 -6.215 -1.056 1.00 0.00 H new ATOM 0 HA THR A 95 -10.338 -8.882 -0.114 1.00 0.00 H new ATOM 0 HB THR A 95 -7.759 -7.691 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.260 -8.517 -3.209 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.624 -9.850 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.828 -10.073 -0.555 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.212 -10.307 -1.649 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.360 -6.861 1.535 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.575 -6.694 2.759 1.00 0.00 C ATOM 1426 C ASP A 96 -8.349 -7.144 3.990 1.00 0.00 C ATOM 1427 O ASP A 96 -7.819 -7.859 4.843 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.170 -5.226 2.907 1.00 0.00 C ATOM 1429 CG ASP A 96 -6.693 -4.872 4.306 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -5.570 -5.262 4.679 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -7.439 -4.177 5.029 1.00 0.00 O ATOM 0 H ASP A 96 -8.481 -6.002 0.998 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.686 -7.320 2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.378 -5.001 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.020 -4.594 2.650 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.613 -6.762 4.057 1.00 0.00 N ATOM 1437 CA GLU A 97 -10.424 -7.062 5.220 1.00 0.00 C ATOM 1438 C GLU A 97 -10.696 -8.558 5.347 1.00 0.00 C ATOM 1439 O GLU A 97 -10.755 -9.082 6.456 1.00 0.00 O ATOM 1440 CB GLU A 97 -11.723 -6.260 5.187 1.00 0.00 C ATOM 1441 CG GLU A 97 -11.475 -4.762 5.245 1.00 0.00 C ATOM 1442 CD GLU A 97 -12.716 -3.964 5.573 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -13.160 -4.007 6.740 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -13.237 -3.267 4.680 1.00 0.00 O ATOM 0 H GLU A 97 -10.096 -6.246 3.322 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.863 -6.765 6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.273 -6.500 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.352 -6.555 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.710 -4.556 5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.080 -4.429 4.285 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.882 -9.251 4.227 1.00 0.00 N ATOM 1452 CA GLN A 98 -11.031 -10.704 4.269 1.00 0.00 C ATOM 1453 C GLN A 98 -9.683 -11.400 4.510 1.00 0.00 C ATOM 1454 O GLN A 98 -9.611 -12.382 5.250 1.00 0.00 O ATOM 1455 CB GLN A 98 -11.715 -11.253 3.008 1.00 0.00 C ATOM 1456 CG GLN A 98 -10.957 -11.019 1.716 1.00 0.00 C ATOM 1457 CD GLN A 98 -11.583 -11.749 0.547 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -12.794 -11.970 0.510 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -10.763 -12.141 -0.413 1.00 0.00 N ATOM 0 H GLN A 98 -10.933 -8.840 3.295 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.682 -10.928 5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -11.868 -12.325 3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.702 -10.798 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.928 -9.951 1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -9.925 -11.348 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -9.766 -11.939 -0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.128 -12.646 -1.221 1.00 0.00 H new ATOM 1468 N LEU A 99 -8.624 -10.881 3.889 1.00 0.00 N ATOM 1469 CA LEU A 99 -7.298 -11.504 3.938 1.00 0.00 C ATOM 1470 C LEU A 99 -6.673 -11.463 5.328 1.00 0.00 C ATOM 1471 O LEU A 99 -5.916 -12.361 5.689 1.00 0.00 O ATOM 1472 CB LEU A 99 -6.337 -10.841 2.948 1.00 0.00 C ATOM 1473 CG LEU A 99 -6.607 -11.119 1.468 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -5.562 -10.427 0.609 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -6.620 -12.615 1.193 1.00 0.00 C ATOM 0 H LEU A 99 -8.658 -10.022 3.340 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.455 -12.548 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.368 -9.763 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.324 -11.168 3.180 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.590 -10.721 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.763 -10.631 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.601 -9.352 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.572 -10.801 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.814 -12.789 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.653 -13.042 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.402 -13.087 1.787 1.00 0.00 H new ATOM 1487 N GLN A 100 -6.969 -10.424 6.099 1.00 0.00 N ATOM 1488 CA GLN A 100 -6.297 -10.206 7.381 1.00 0.00 C ATOM 1489 C GLN A 100 -6.436 -11.404 8.326 1.00 0.00 C ATOM 1490 O GLN A 100 -5.493 -11.737 9.042 1.00 0.00 O ATOM 1491 CB GLN A 100 -6.814 -8.933 8.058 1.00 0.00 C ATOM 1492 CG GLN A 100 -8.323 -8.888 8.199 1.00 0.00 C ATOM 1493 CD GLN A 100 -8.811 -7.658 8.939 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -8.129 -7.126 9.817 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -10.003 -7.201 8.591 1.00 0.00 N ATOM 0 H GLN A 100 -7.667 -9.719 5.863 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.236 -10.087 7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.363 -8.849 9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.486 -8.067 7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.776 -8.913 7.208 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.660 -9.780 8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.535 -7.671 7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.389 -6.379 9.055 1.00 0.00 H new ATOM 1504 N LYS A 101 -7.588 -12.069 8.317 1.00 0.00 N ATOM 1505 CA LYS A 101 -7.785 -13.227 9.185 1.00 0.00 C ATOM 1506 C LYS A 101 -7.039 -14.443 8.640 1.00 0.00 C ATOM 1507 O LYS A 101 -6.750 -15.388 9.371 1.00 0.00 O ATOM 1508 CB LYS A 101 -9.273 -13.559 9.350 1.00 0.00 C ATOM 1509 CG LYS A 101 -9.947 -14.031 8.074 1.00 0.00 C ATOM 1510 CD LYS A 101 -11.364 -14.510 8.339 1.00 0.00 C ATOM 1511 CE LYS A 101 -12.062 -14.914 7.054 1.00 0.00 C ATOM 1512 NZ LYS A 101 -12.225 -13.764 6.127 1.00 0.00 N ATOM 0 H LYS A 101 -8.387 -11.832 7.729 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.382 -12.972 10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.380 -14.331 10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.793 -12.674 9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.966 -13.218 7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.365 -14.839 7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.341 -15.358 9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.931 -13.719 8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.489 -15.699 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.041 -15.333 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.823 -14.047 5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.674 -12.973 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.292 -13.466 5.776 1.00 0.00 H new ATOM 1526 N LEU A 102 -6.718 -14.400 7.355 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.010 -15.490 6.700 1.00 0.00 C ATOM 1528 C LEU A 102 -4.511 -15.344 6.927 1.00 0.00 C ATOM 1529 O LEU A 102 -3.801 -16.325 7.163 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.320 -15.493 5.201 1.00 0.00 C ATOM 1531 CG LEU A 102 -7.809 -15.563 4.846 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -8.012 -15.355 3.355 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.400 -16.896 5.284 1.00 0.00 C ATOM 0 H LEU A 102 -6.939 -13.616 6.742 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.342 -16.436 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.898 -14.591 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.813 -16.342 4.742 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.327 -14.765 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.075 -15.408 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.626 -14.377 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.480 -16.131 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.458 -16.928 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.878 -17.709 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.288 -17.007 6.363 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.037 -14.110 6.858 1.00 0.00 N ATOM 1546 CA GLY A 103 -2.639 -13.838 7.105 1.00 0.00 C ATOM 1547 C GLY A 103 -2.238 -12.445 6.675 1.00 0.00 C ATOM 1548 O GLY A 103 -2.346 -12.093 5.501 1.00 0.00 O ATOM 0 H GLY A 103 -4.599 -13.289 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.430 -13.962 8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.030 -14.569 6.573 1.00 0.00 H new ATOM 1552 N VAL A 104 -1.750 -11.656 7.620 1.00 0.00 N ATOM 1553 CA VAL A 104 -1.317 -10.300 7.346 1.00 0.00 C ATOM 1554 C VAL A 104 0.122 -10.292 6.848 1.00 0.00 C ATOM 1555 O VAL A 104 0.932 -9.440 7.216 1.00 0.00 O ATOM 1556 CB VAL A 104 -1.421 -9.429 8.601 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -2.875 -9.214 8.986 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -0.644 -10.061 9.744 1.00 0.00 C ATOM 0 H VAL A 104 -1.644 -11.939 8.594 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.971 -9.892 6.575 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.984 -8.454 8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.927 -8.593 9.880 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.398 -8.718 8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.345 -10.177 9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.726 -9.432 10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.053 -11.048 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.405 -10.157 9.462 1.00 0.00 H new ATOM 1568 N GLN A 105 0.422 -11.248 5.994 1.00 0.00 N ATOM 1569 CA GLN A 105 1.762 -11.433 5.473 1.00 0.00 C ATOM 1570 C GLN A 105 2.000 -10.502 4.292 1.00 0.00 C ATOM 1571 O GLN A 105 3.052 -10.544 3.651 1.00 0.00 O ATOM 1572 CB GLN A 105 1.939 -12.886 5.054 1.00 0.00 C ATOM 1573 CG GLN A 105 1.618 -13.873 6.162 1.00 0.00 C ATOM 1574 CD GLN A 105 1.622 -15.311 5.681 1.00 0.00 C ATOM 1575 OE1 GLN A 105 2.652 -15.982 5.699 1.00 0.00 O ATOM 1576 NE2 GLN A 105 0.467 -15.791 5.245 1.00 0.00 N ATOM 0 H GLN A 105 -0.258 -11.921 5.640 1.00 0.00 H new ATOM 0 HA GLN A 105 2.491 -11.192 6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.297 -13.091 4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.967 -13.040 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.346 -13.761 6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.640 -13.637 6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.364 -15.200 5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.409 -16.752 4.907 1.00 0.00 H new ATOM 1585 N VAL A 106 1.015 -9.643 4.037 1.00 0.00 N ATOM 1586 CA VAL A 106 1.057 -8.702 2.924 1.00 0.00 C ATOM 1587 C VAL A 106 2.175 -7.683 3.106 1.00 0.00 C ATOM 1588 O VAL A 106 2.568 -7.010 2.161 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.294 -7.956 2.746 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -1.467 -8.914 2.902 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -0.431 -6.766 3.693 1.00 0.00 C ATOM 0 H VAL A 106 0.165 -9.581 4.598 1.00 0.00 H new ATOM 0 HA VAL A 106 1.249 -9.290 2.027 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.305 -7.556 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.402 -8.369 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.398 -9.699 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.442 -9.361 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.392 -6.279 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.372 -7.113 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.373 -6.055 3.503 1.00 0.00 H new ATOM 1601 N ARG A 107 2.686 -7.601 4.332 1.00 0.00 N ATOM 1602 CA ARG A 107 3.653 -6.578 4.713 1.00 0.00 C ATOM 1603 C ARG A 107 4.923 -6.648 3.869 1.00 0.00 C ATOM 1604 O ARG A 107 5.545 -5.620 3.610 1.00 0.00 O ATOM 1605 CB ARG A 107 4.012 -6.717 6.195 1.00 0.00 C ATOM 1606 CG ARG A 107 2.804 -6.876 7.105 1.00 0.00 C ATOM 1607 CD ARG A 107 3.209 -6.896 8.572 1.00 0.00 C ATOM 1608 NE ARG A 107 2.163 -7.461 9.428 1.00 0.00 N ATOM 1609 CZ ARG A 107 1.743 -6.901 10.564 1.00 0.00 C ATOM 1610 NH1 ARG A 107 2.171 -5.699 10.914 1.00 0.00 N ATOM 1611 NH2 ARG A 107 0.862 -7.529 11.334 1.00 0.00 N ATOM 0 H ARG A 107 2.441 -8.241 5.087 1.00 0.00 H new ATOM 0 HA ARG A 107 3.187 -5.609 4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.667 -7.579 6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.577 -5.839 6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.106 -6.058 6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.281 -7.800 6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.123 -7.478 8.687 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.434 -5.881 8.899 1.00 0.00 H new ATOM 0 HE ARG A 107 1.729 -8.337 9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.825 -5.196 10.314 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.847 -5.275 11.783 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.504 -8.443 11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.544 -7.097 12.202 1.00 0.00 H new ATOM 1625 N GLU A 108 5.290 -7.858 3.453 1.00 0.00 N ATOM 1626 CA GLU A 108 6.443 -8.077 2.577 1.00 0.00 C ATOM 1627 C GLU A 108 6.711 -9.569 2.460 1.00 0.00 C ATOM 1628 O GLU A 108 7.180 -10.049 1.429 1.00 0.00 O ATOM 1629 CB GLU A 108 7.709 -7.379 3.098 1.00 0.00 C ATOM 1630 CG GLU A 108 8.833 -7.323 2.072 1.00 0.00 C ATOM 1631 CD GLU A 108 10.077 -6.622 2.585 1.00 0.00 C ATOM 1632 OE1 GLU A 108 9.951 -5.658 3.368 1.00 0.00 O ATOM 1633 OE2 GLU A 108 11.193 -7.019 2.189 1.00 0.00 O ATOM 0 H GLU A 108 4.799 -8.714 3.712 1.00 0.00 H new ATOM 0 HA GLU A 108 6.202 -7.650 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.456 -6.364 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.064 -7.901 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.093 -8.338 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.476 -6.809 1.180 1.00 0.00 H new ATOM 1640 N GLU A 109 6.390 -10.297 3.525 1.00 0.00 N ATOM 1641 CA GLU A 109 6.667 -11.726 3.596 1.00 0.00 C ATOM 1642 C GLU A 109 6.050 -12.476 2.424 1.00 0.00 C ATOM 1643 O GLU A 109 6.742 -13.190 1.708 1.00 0.00 O ATOM 1644 CB GLU A 109 6.140 -12.302 4.910 1.00 0.00 C ATOM 1645 CG GLU A 109 6.720 -11.627 6.140 1.00 0.00 C ATOM 1646 CD GLU A 109 8.233 -11.597 6.117 1.00 0.00 C ATOM 1647 OE1 GLU A 109 8.852 -12.679 6.107 1.00 0.00 O ATOM 1648 OE2 GLU A 109 8.807 -10.488 6.112 1.00 0.00 O ATOM 0 H GLU A 109 5.935 -9.917 4.355 1.00 0.00 H new ATOM 0 HA GLU A 109 7.748 -11.854 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.054 -12.207 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.367 -13.367 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.339 -10.608 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.382 -12.152 7.034 1.00 0.00 H new ATOM 1655 N LEU A 110 4.764 -12.272 2.191 1.00 0.00 N ATOM 1656 CA LEU A 110 4.073 -12.973 1.115 1.00 0.00 C ATOM 1657 C LEU A 110 4.708 -12.648 -0.231 1.00 0.00 C ATOM 1658 O LEU A 110 4.731 -13.482 -1.133 1.00 0.00 O ATOM 1659 CB LEU A 110 2.593 -12.597 1.094 1.00 0.00 C ATOM 1660 CG LEU A 110 1.765 -13.304 0.019 1.00 0.00 C ATOM 1661 CD1 LEU A 110 1.605 -14.782 0.348 1.00 0.00 C ATOM 1662 CD2 LEU A 110 0.412 -12.633 -0.135 1.00 0.00 C ATOM 0 H LEU A 110 4.178 -11.632 2.727 1.00 0.00 H new ATOM 0 HA LEU A 110 4.162 -14.044 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.162 -12.821 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.508 -11.520 0.948 1.00 0.00 H new ATOM 0 HG LEU A 110 2.294 -13.227 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.013 -15.266 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.587 -15.251 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.100 -14.888 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.164 -13.148 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.126 -12.677 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.553 -11.592 -0.424 1.00 0.00 H new ATOM 1674 N LEU A 111 5.261 -11.446 -0.335 1.00 0.00 N ATOM 1675 CA LEU A 111 5.836 -10.974 -1.584 1.00 0.00 C ATOM 1676 C LEU A 111 7.136 -11.701 -1.907 1.00 0.00 C ATOM 1677 O LEU A 111 7.515 -11.815 -3.069 1.00 0.00 O ATOM 1678 CB LEU A 111 6.089 -9.458 -1.542 1.00 0.00 C ATOM 1679 CG LEU A 111 4.852 -8.549 -1.613 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.026 -8.617 -0.338 1.00 0.00 C ATOM 1681 CD2 LEU A 111 5.280 -7.118 -1.873 1.00 0.00 C ATOM 0 H LEU A 111 5.322 -10.780 0.435 1.00 0.00 H new ATOM 0 HA LEU A 111 5.112 -11.189 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.627 -9.228 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.749 -9.200 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 111 4.227 -8.903 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.161 -7.960 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.689 -9.641 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.636 -8.299 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.399 -6.478 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.929 -6.780 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.820 -7.066 -2.818 1.00 0.00 H new ATOM 1693 N ARG A 112 7.815 -12.187 -0.877 1.00 0.00 N ATOM 1694 CA ARG A 112 9.049 -12.946 -1.057 1.00 0.00 C ATOM 1695 C ARG A 112 8.762 -14.220 -1.826 1.00 0.00 C ATOM 1696 O ARG A 112 9.597 -14.718 -2.583 1.00 0.00 O ATOM 1697 CB ARG A 112 9.642 -13.321 0.291 1.00 0.00 C ATOM 1698 CG ARG A 112 9.778 -12.160 1.247 1.00 0.00 C ATOM 1699 CD ARG A 112 9.950 -12.663 2.662 1.00 0.00 C ATOM 1700 NE ARG A 112 11.143 -13.499 2.802 1.00 0.00 N ATOM 1701 CZ ARG A 112 11.327 -14.387 3.783 1.00 0.00 C ATOM 1702 NH1 ARG A 112 10.452 -14.489 4.778 1.00 0.00 N ATOM 1703 NH2 ARG A 112 12.403 -15.162 3.778 1.00 0.00 N ATOM 0 H ARG A 112 7.532 -12.070 0.096 1.00 0.00 H new ATOM 0 HA ARG A 112 9.755 -12.324 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.017 -14.086 0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 112 10.625 -13.765 0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.634 -11.547 0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 112 8.895 -11.524 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 112 10.019 -11.815 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 112 9.069 -13.235 2.954 1.00 0.00 H new ATOM 0 HE ARG A 112 11.881 -13.397 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 112 9.630 -13.886 4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 112 10.603 -15.171 5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.088 -15.079 3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 112 12.546 -15.841 4.526 1.00 0.00 H new ATOM 1717 N ALA A 113 7.556 -14.731 -1.590 1.00 0.00 N ATOM 1718 CA ALA A 113 7.059 -15.940 -2.232 1.00 0.00 C ATOM 1719 C ALA A 113 7.840 -17.151 -1.758 1.00 0.00 C ATOM 1720 O ALA A 113 8.223 -18.018 -2.538 1.00 0.00 O ATOM 1721 CB ALA A 113 7.113 -15.806 -3.738 1.00 0.00 C ATOM 0 H ALA A 113 6.891 -14.311 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 113 6.016 -16.081 -1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.737 -16.720 -4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 113 6.497 -14.963 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.143 -15.639 -4.052 1.00 0.00 H new ATOM 1727 N GLN A 114 8.048 -17.191 -0.451 1.00 0.00 N ATOM 1728 CA GLN A 114 8.823 -18.243 0.201 1.00 0.00 C ATOM 1729 C GLN A 114 8.087 -19.583 0.219 1.00 0.00 C ATOM 1730 O GLN A 114 8.599 -20.572 0.745 1.00 0.00 O ATOM 1731 CB GLN A 114 9.178 -17.836 1.637 1.00 0.00 C ATOM 1732 CG GLN A 114 7.975 -17.528 2.530 1.00 0.00 C ATOM 1733 CD GLN A 114 7.473 -16.100 2.383 1.00 0.00 C ATOM 1734 OE1 GLN A 114 7.960 -15.198 3.059 1.00 0.00 O ATOM 1735 NE2 GLN A 114 6.470 -15.882 1.530 1.00 0.00 N ATOM 0 H GLN A 114 7.682 -16.491 0.194 1.00 0.00 H new ATOM 0 HA GLN A 114 9.734 -18.370 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 114 9.757 -18.638 2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 114 9.822 -16.957 1.602 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.166 -18.218 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.247 -17.706 3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 114 6.088 -16.654 0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 114 6.085 -14.943 1.425 1.00 0.00 H new ATOM 1744 N GLU A 115 6.895 -19.614 -0.352 1.00 0.00 N ATOM 1745 CA GLU A 115 6.098 -20.828 -0.373 1.00 0.00 C ATOM 1746 C GLU A 115 6.104 -21.447 -1.763 1.00 0.00 C ATOM 1747 O GLU A 115 6.218 -20.736 -2.764 1.00 0.00 O ATOM 1748 CB GLU A 115 4.664 -20.543 0.076 1.00 0.00 C ATOM 1749 CG GLU A 115 4.564 -19.939 1.471 1.00 0.00 C ATOM 1750 CD GLU A 115 5.322 -20.736 2.519 1.00 0.00 C ATOM 1751 OE1 GLU A 115 5.449 -21.970 2.368 1.00 0.00 O ATOM 1752 OE2 GLU A 115 5.791 -20.129 3.501 1.00 0.00 O ATOM 0 H GLU A 115 6.458 -18.812 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 115 6.542 -21.538 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.198 -19.864 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.094 -21.472 0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 115 4.950 -18.920 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.515 -19.876 1.759 1.00 0.00 H new ATOM 1759 N ALA A 116 5.981 -22.772 -1.802 1.00 0.00 N ATOM 1760 CA ALA A 116 6.014 -23.534 -3.048 1.00 0.00 C ATOM 1761 C ALA A 116 7.337 -23.342 -3.781 1.00 0.00 C ATOM 1762 O ALA A 116 7.410 -22.626 -4.785 1.00 0.00 O ATOM 1763 CB ALA A 116 4.850 -23.166 -3.951 1.00 0.00 C ATOM 0 H ALA A 116 5.856 -23.348 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 116 5.921 -24.588 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.903 -23.750 -4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.911 -23.379 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.899 -22.104 -4.193 1.00 0.00 H new ATOM 1769 N PRO A 117 8.405 -23.969 -3.281 1.00 0.00 N ATOM 1770 CA PRO A 117 9.720 -23.904 -3.897 1.00 0.00 C ATOM 1771 C PRO A 117 9.833 -24.848 -5.090 1.00 0.00 C ATOM 1772 O PRO A 117 9.812 -26.074 -4.930 1.00 0.00 O ATOM 1773 CB PRO A 117 10.674 -24.335 -2.778 1.00 0.00 C ATOM 1774 CG PRO A 117 9.823 -24.572 -1.569 1.00 0.00 C ATOM 1775 CD PRO A 117 8.427 -24.789 -2.071 1.00 0.00 C ATOM 0 HA PRO A 117 9.939 -22.910 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 117 11.216 -25.239 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 117 11.419 -23.564 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 117 10.174 -25.440 -1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 117 9.864 -23.719 -0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.230 -25.839 -2.287 1.00 0.00 H new ATOM 0 HD3 PRO A 117 7.679 -24.467 -1.347 1.00 0.00 H new ATOM 1783 N GLY A 118 9.937 -24.277 -6.283 1.00 0.00 N ATOM 1784 CA GLY A 118 10.029 -25.074 -7.491 1.00 0.00 C ATOM 1785 C GLY A 118 11.400 -25.689 -7.675 1.00 0.00 C ATOM 1786 O GLY A 118 11.534 -26.755 -8.278 1.00 0.00 O ATOM 0 H GLY A 118 9.959 -23.269 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 118 9.280 -25.866 -7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 118 9.795 -24.450 -8.353 1.00 0.00 H new ATOM 1790 N GLN A 119 12.423 -25.019 -7.168 1.00 0.00 N ATOM 1791 CA GLN A 119 13.778 -25.540 -7.249 1.00 0.00 C ATOM 1792 C GLN A 119 14.108 -26.351 -6.003 1.00 0.00 C ATOM 1793 O GLN A 119 13.914 -27.570 -5.979 1.00 0.00 O ATOM 1794 CB GLN A 119 14.789 -24.403 -7.414 1.00 0.00 C ATOM 1795 CG GLN A 119 14.547 -23.542 -8.640 1.00 0.00 C ATOM 1796 CD GLN A 119 15.544 -22.411 -8.751 1.00 0.00 C ATOM 1797 OE1 GLN A 119 15.327 -21.324 -8.219 1.00 0.00 O ATOM 1798 NE2 GLN A 119 16.640 -22.654 -9.446 1.00 0.00 N ATOM 0 H GLN A 119 12.341 -24.117 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 119 13.840 -26.189 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 119 14.760 -23.771 -6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 119 15.792 -24.826 -7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 119 14.604 -24.163 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 119 13.538 -23.132 -8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 119 16.781 -23.570 -9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 119 17.345 -21.926 -9.557 1.00 0.00 H new ATOM 1807 N ALA A 120 14.572 -25.659 -4.970 1.00 0.00 N ATOM 1808 CA ALA A 120 14.958 -26.280 -3.710 1.00 0.00 C ATOM 1809 C ALA A 120 15.427 -25.208 -2.735 1.00 0.00 C ATOM 1810 O ALA A 120 16.599 -24.791 -2.834 1.00 0.00 O ATOM 1811 CB ALA A 120 16.056 -27.315 -3.925 1.00 0.00 C ATOM 1812 OXT ALA A 120 14.620 -24.766 -1.898 1.00 0.00 O ATOM 0 H ALA A 120 14.692 -24.646 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 120 14.091 -26.793 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.326 -27.763 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.697 -28.091 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.931 -26.832 -4.359 1.00 0.00 H new TER 1818 ALA A 120