USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 23 GLN :FLIP amide:sc= -0.419 F(o=-3.6,f=-2.9) USER MOD Set 1.2: A 35 TYR OH : rot -15:sc= -2.47! USER MOD Set 2.1: A 8 GLN : amide:sc= -2.61 K(o=-3.5,f=-7.6!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 149:sc= -0.888 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 1 ASN N :NH3+ -108:sc= 0.0317 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -116:sc= 0.0104 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 36:sc= 1.1 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.604 K(o=-0.6,f=-1.5) USER MOD Single : A 37 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.11) USER MOD Single : A 49 MET CE :methyl -153:sc= -4.83 (180deg=-6.08!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -132:sc= -1.6 (180deg=-3.9!) USER MOD Single : A 56 ASN : amide:sc= -0.924 K(o=-0.92,f=-1.6!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -3.14! C(o=-3.1!,f=-5.3!) USER MOD Single : A 62 THR OG1 : rot 69:sc= -1.67! USER MOD Single : A 67 LYS NZ :NH3+ -116:sc= 1.2 (180deg=-0.778) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -2.76 K(o=-2.8,f=-6.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -18.661 0.880 -3.020 1.00 0.00 N ATOM 2 CA ASN A 1 -17.376 0.161 -2.826 1.00 0.00 C ATOM 3 C ASN A 1 -17.608 -1.324 -2.564 1.00 0.00 C ATOM 4 O ASN A 1 -18.621 -1.710 -1.981 1.00 0.00 O ATOM 5 CB ASN A 1 -16.635 0.795 -1.647 1.00 0.00 C ATOM 6 CG ASN A 1 -16.012 2.130 -2.006 1.00 0.00 C ATOM 7 OD1 ASN A 1 -15.370 2.267 -3.048 1.00 0.00 O ATOM 8 ND2 ASN A 1 -16.196 3.121 -1.142 1.00 0.00 N ATOM 0 H1 ASN A 1 -18.766 1.139 -4.022 1.00 0.00 H new ATOM 0 H2 ASN A 1 -19.450 0.264 -2.737 1.00 0.00 H new ATOM 0 H3 ASN A 1 -18.668 1.741 -2.437 1.00 0.00 H new ATOM 0 HA ASN A 1 -16.779 0.245 -3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -17.328 0.932 -0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -15.856 0.115 -1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -15.798 4.041 -1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -16.735 2.962 -0.291 1.00 0.00 H new ATOM 16 N LYS A 2 -16.664 -2.151 -2.999 1.00 0.00 N ATOM 17 CA LYS A 2 -16.766 -3.594 -2.811 1.00 0.00 C ATOM 18 C LYS A 2 -15.383 -4.229 -2.713 1.00 0.00 C ATOM 19 O LYS A 2 -15.177 -5.362 -3.148 1.00 0.00 O ATOM 20 CB LYS A 2 -17.549 -4.225 -3.964 1.00 0.00 C ATOM 21 CG LYS A 2 -17.053 -3.804 -5.339 1.00 0.00 C ATOM 22 CD LYS A 2 -17.872 -2.651 -5.897 1.00 0.00 C ATOM 23 CE LYS A 2 -19.214 -3.127 -6.430 1.00 0.00 C ATOM 24 NZ LYS A 2 -20.052 -1.997 -6.915 1.00 0.00 N ATOM 0 H LYS A 2 -15.820 -1.847 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 2 -17.297 -3.777 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.489 -5.310 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -18.601 -3.956 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.005 -3.510 -5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.105 -4.652 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.032 -1.907 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.315 -2.161 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.051 -3.833 -7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.747 -3.663 -5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.958 -2.364 -7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -20.229 -1.335 -6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.555 -1.501 -7.682 1.00 0.00 H new ATOM 38 N GLU A 3 -14.438 -3.493 -2.137 1.00 0.00 N ATOM 39 CA GLU A 3 -13.075 -3.984 -1.982 1.00 0.00 C ATOM 40 C GLU A 3 -12.400 -3.343 -0.773 1.00 0.00 C ATOM 41 O GLU A 3 -11.667 -2.363 -0.907 1.00 0.00 O ATOM 42 CB GLU A 3 -12.260 -3.700 -3.245 1.00 0.00 C ATOM 43 CG GLU A 3 -12.829 -4.351 -4.495 1.00 0.00 C ATOM 44 CD GLU A 3 -11.960 -4.126 -5.716 1.00 0.00 C ATOM 45 OE1 GLU A 3 -10.815 -4.626 -5.730 1.00 0.00 O ATOM 46 OE2 GLU A 3 -12.424 -3.451 -6.660 1.00 0.00 O ATOM 0 H GLU A 3 -14.592 -2.554 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.120 -5.061 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.207 -2.622 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.239 -4.051 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.939 -5.422 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.826 -3.954 -4.685 1.00 0.00 H new ATOM 53 N LEU A 4 -12.650 -3.905 0.405 1.00 0.00 N ATOM 54 CA LEU A 4 -12.066 -3.394 1.639 1.00 0.00 C ATOM 55 C LEU A 4 -12.546 -4.203 2.839 1.00 0.00 C ATOM 56 O LEU A 4 -13.683 -4.056 3.287 1.00 0.00 O ATOM 57 CB LEU A 4 -12.419 -1.917 1.837 1.00 0.00 C ATOM 58 CG LEU A 4 -11.305 -1.061 2.445 1.00 0.00 C ATOM 59 CD1 LEU A 4 -11.823 0.331 2.772 1.00 0.00 C ATOM 60 CD2 LEU A 4 -10.736 -1.726 3.691 1.00 0.00 C ATOM 0 H LEU A 4 -13.255 -4.717 0.531 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.983 -3.489 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.697 -1.493 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.298 -1.852 2.479 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.504 -0.968 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.018 0.927 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.180 0.810 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.642 0.256 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.946 -1.102 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.527 -1.851 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.327 -2.702 3.428 1.00 0.00 H new ATOM 72 N ASP A 5 -11.669 -5.054 3.353 1.00 0.00 N ATOM 73 CA ASP A 5 -11.996 -5.889 4.503 1.00 0.00 C ATOM 74 C ASP A 5 -11.751 -5.131 5.806 1.00 0.00 C ATOM 75 O ASP A 5 -11.162 -4.049 5.800 1.00 0.00 O ATOM 76 CB ASP A 5 -11.164 -7.174 4.478 1.00 0.00 C ATOM 77 CG ASP A 5 -11.984 -8.384 4.080 1.00 0.00 C ATOM 78 OD1 ASP A 5 -12.868 -8.243 3.208 1.00 0.00 O ATOM 79 OD2 ASP A 5 -11.744 -9.475 4.640 1.00 0.00 O ATOM 0 H ASP A 5 -10.724 -5.185 2.992 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.053 -6.150 4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.336 -7.054 3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.729 -7.341 5.463 1.00 0.00 H new ATOM 84 N PRO A 6 -12.201 -5.687 6.945 1.00 0.00 N ATOM 85 CA PRO A 6 -12.023 -5.050 8.255 1.00 0.00 C ATOM 86 C PRO A 6 -10.579 -5.121 8.744 1.00 0.00 C ATOM 87 O PRO A 6 -10.304 -5.630 9.830 1.00 0.00 O ATOM 88 CB PRO A 6 -12.940 -5.867 9.168 1.00 0.00 C ATOM 89 CG PRO A 6 -13.007 -7.211 8.529 1.00 0.00 C ATOM 90 CD PRO A 6 -12.915 -6.974 7.046 1.00 0.00 C ATOM 0 HA PRO A 6 -12.260 -3.986 8.229 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.539 -5.929 10.180 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.929 -5.415 9.244 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.191 -7.847 8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.937 -7.718 8.785 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.371 -7.775 6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.902 -6.922 6.586 1.00 0.00 H new ATOM 98 N VAL A 7 -9.662 -4.602 7.933 1.00 0.00 N ATOM 99 CA VAL A 7 -8.243 -4.596 8.270 1.00 0.00 C ATOM 100 C VAL A 7 -7.422 -4.029 7.118 1.00 0.00 C ATOM 101 O VAL A 7 -6.503 -3.237 7.328 1.00 0.00 O ATOM 102 CB VAL A 7 -7.732 -6.012 8.609 1.00 0.00 C ATOM 103 CG1 VAL A 7 -7.927 -6.950 7.428 1.00 0.00 C ATOM 104 CG2 VAL A 7 -6.268 -5.968 9.027 1.00 0.00 C ATOM 0 H VAL A 7 -9.879 -4.177 7.031 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.125 -3.965 9.151 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.315 -6.395 9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.560 -7.943 7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.987 -7.008 7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.374 -6.572 6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.926 -6.976 9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.669 -5.563 8.212 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.160 -5.334 9.907 1.00 0.00 H new ATOM 114 N GLN A 8 -7.767 -4.431 5.898 1.00 0.00 N ATOM 115 CA GLN A 8 -7.067 -3.954 4.710 1.00 0.00 C ATOM 116 C GLN A 8 -6.998 -2.431 4.707 1.00 0.00 C ATOM 117 O GLN A 8 -6.069 -1.842 4.154 1.00 0.00 O ATOM 118 CB GLN A 8 -7.769 -4.449 3.445 1.00 0.00 C ATOM 119 CG GLN A 8 -7.691 -5.955 3.254 1.00 0.00 C ATOM 120 CD GLN A 8 -7.871 -6.370 1.807 1.00 0.00 C ATOM 121 OE1 GLN A 8 -7.177 -7.260 1.315 1.00 0.00 O ATOM 122 NE2 GLN A 8 -8.805 -5.726 1.118 1.00 0.00 N ATOM 0 H GLN A 8 -8.526 -5.085 5.707 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.052 -4.350 4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.816 -4.150 3.480 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.326 -3.958 2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.726 -6.313 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.457 -6.435 3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.357 -4.995 1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.971 -5.962 0.140 1.00 0.00 H new ATOM 131 N LYS A 9 -7.986 -1.799 5.337 1.00 0.00 N ATOM 132 CA LYS A 9 -8.031 -0.345 5.413 1.00 0.00 C ATOM 133 C LYS A 9 -6.812 0.185 6.159 1.00 0.00 C ATOM 134 O LYS A 9 -6.121 1.083 5.681 1.00 0.00 O ATOM 135 CB LYS A 9 -9.313 0.120 6.108 1.00 0.00 C ATOM 136 CG LYS A 9 -9.517 -0.487 7.487 1.00 0.00 C ATOM 137 CD LYS A 9 -10.993 -0.592 7.837 1.00 0.00 C ATOM 138 CE LYS A 9 -11.229 -0.365 9.322 1.00 0.00 C ATOM 139 NZ LYS A 9 -11.134 -1.631 10.101 1.00 0.00 N ATOM 0 H LYS A 9 -8.763 -2.271 5.800 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.023 0.050 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.293 1.206 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.168 -0.132 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.063 -1.477 7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.008 0.123 8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.558 0.141 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.366 -1.576 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.498 0.349 9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.214 0.078 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.301 -1.432 11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.848 -2.304 9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.186 -2.042 9.982 1.00 0.00 H new ATOM 153 N LEU A 10 -6.550 -0.387 7.330 1.00 0.00 N ATOM 154 CA LEU A 10 -5.407 0.018 8.136 1.00 0.00 C ATOM 155 C LEU A 10 -4.111 -0.276 7.389 1.00 0.00 C ATOM 156 O LEU A 10 -3.128 0.453 7.510 1.00 0.00 O ATOM 157 CB LEU A 10 -5.427 -0.705 9.490 1.00 0.00 C ATOM 158 CG LEU A 10 -4.733 -2.071 9.522 1.00 0.00 C ATOM 159 CD1 LEU A 10 -3.268 -1.915 9.900 1.00 0.00 C ATOM 160 CD2 LEU A 10 -5.440 -3.005 10.491 1.00 0.00 C ATOM 0 H LEU A 10 -7.114 -1.131 7.740 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.466 1.091 8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.956 -0.061 10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.465 -0.838 9.795 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.785 -2.508 8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.791 -2.895 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.769 -1.281 9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.194 -1.457 10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.934 -3.970 10.501 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.419 -2.574 11.492 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.475 -3.141 10.176 1.00 0.00 H new ATOM 172 N PHE A 11 -4.131 -1.349 6.606 1.00 0.00 N ATOM 173 CA PHE A 11 -2.973 -1.750 5.822 1.00 0.00 C ATOM 174 C PHE A 11 -2.703 -0.735 4.722 1.00 0.00 C ATOM 175 O PHE A 11 -1.584 -0.246 4.576 1.00 0.00 O ATOM 176 CB PHE A 11 -3.207 -3.138 5.220 1.00 0.00 C ATOM 177 CG PHE A 11 -1.981 -3.757 4.614 1.00 0.00 C ATOM 178 CD1 PHE A 11 -0.751 -3.663 5.247 1.00 0.00 C ATOM 179 CD2 PHE A 11 -2.062 -4.436 3.410 1.00 0.00 C ATOM 180 CE1 PHE A 11 0.375 -4.238 4.689 1.00 0.00 C ATOM 181 CE2 PHE A 11 -0.938 -5.012 2.847 1.00 0.00 C ATOM 182 CZ PHE A 11 0.281 -4.913 3.488 1.00 0.00 C ATOM 0 H PHE A 11 -4.942 -1.958 6.498 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.101 -1.791 6.475 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.589 -3.800 5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.980 -3.065 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.672 -3.135 6.186 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.013 -4.517 2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.328 -4.160 5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.013 -5.539 1.907 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.160 -5.363 3.051 1.00 0.00 H new ATOM 192 N VAL A 12 -3.740 -0.404 3.958 1.00 0.00 N ATOM 193 CA VAL A 12 -3.606 0.571 2.885 1.00 0.00 C ATOM 194 C VAL A 12 -3.044 1.881 3.426 1.00 0.00 C ATOM 195 O VAL A 12 -2.394 2.637 2.702 1.00 0.00 O ATOM 196 CB VAL A 12 -4.957 0.840 2.194 1.00 0.00 C ATOM 197 CG1 VAL A 12 -4.785 1.808 1.033 1.00 0.00 C ATOM 198 CG2 VAL A 12 -5.583 -0.465 1.720 1.00 0.00 C ATOM 0 H VAL A 12 -4.676 -0.795 4.062 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.919 0.154 2.148 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.628 1.298 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.751 1.984 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.385 2.752 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.096 1.383 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.536 -0.256 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.914 -0.953 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.747 -1.121 2.575 1.00 0.00 H new ATOM 208 N ASP A 13 -3.282 2.134 4.711 1.00 0.00 N ATOM 209 CA ASP A 13 -2.785 3.342 5.356 1.00 0.00 C ATOM 210 C ASP A 13 -1.447 3.075 6.039 1.00 0.00 C ATOM 211 O ASP A 13 -0.970 3.889 6.830 1.00 0.00 O ATOM 212 CB ASP A 13 -3.801 3.866 6.371 1.00 0.00 C ATOM 213 CG ASP A 13 -4.871 4.726 5.727 1.00 0.00 C ATOM 214 OD1 ASP A 13 -4.532 5.820 5.229 1.00 0.00 O ATOM 215 OD2 ASP A 13 -6.047 4.306 5.722 1.00 0.00 O ATOM 0 H ASP A 13 -3.816 1.518 5.324 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.637 4.101 4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.272 3.024 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.282 4.447 7.134 1.00 0.00 H new ATOM 220 N LYS A 14 -0.832 1.945 5.703 1.00 0.00 N ATOM 221 CA LYS A 14 0.461 1.583 6.250 1.00 0.00 C ATOM 222 C LYS A 14 1.469 1.572 5.122 1.00 0.00 C ATOM 223 O LYS A 14 2.633 1.927 5.302 1.00 0.00 O ATOM 224 CB LYS A 14 0.405 0.216 6.937 1.00 0.00 C ATOM 225 CG LYS A 14 1.549 -0.023 7.909 1.00 0.00 C ATOM 226 CD LYS A 14 1.119 0.211 9.348 1.00 0.00 C ATOM 227 CE LYS A 14 0.651 1.641 9.563 1.00 0.00 C ATOM 228 NZ LYS A 14 -0.071 1.801 10.856 1.00 0.00 N ATOM 0 H LYS A 14 -1.216 1.263 5.049 1.00 0.00 H new ATOM 0 HA LYS A 14 0.755 2.312 7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.540 0.126 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.416 -0.565 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.913 -1.044 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.379 0.639 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.315 -0.479 9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.951 -0.005 10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.510 2.311 9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.004 1.936 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.374 2.790 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.906 1.180 10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.561 1.544 11.641 1.00 0.00 H new ATOM 242 N ILE A 15 0.987 1.209 3.941 1.00 0.00 N ATOM 243 CA ILE A 15 1.820 1.208 2.761 1.00 0.00 C ATOM 244 C ILE A 15 1.579 2.488 1.965 1.00 0.00 C ATOM 245 O ILE A 15 1.966 2.601 0.803 1.00 0.00 O ATOM 246 CB ILE A 15 1.589 -0.013 1.845 1.00 0.00 C ATOM 247 CG1 ILE A 15 0.193 -0.605 2.064 1.00 0.00 C ATOM 248 CG2 ILE A 15 2.671 -1.060 2.073 1.00 0.00 C ATOM 249 CD1 ILE A 15 0.154 -1.715 3.089 1.00 0.00 C ATOM 0 H ILE A 15 0.024 0.913 3.782 1.00 0.00 H new ATOM 0 HA ILE A 15 2.852 1.152 3.109 1.00 0.00 H new ATOM 0 HB ILE A 15 1.649 0.318 0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.483 0.190 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.182 -0.987 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.494 -1.914 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.647 -0.629 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.648 -1.387 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.867 -2.083 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.803 -2.530 2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.498 -1.334 4.051 1.00 0.00 H new ATOM 261 N ARG A 16 0.955 3.459 2.611 1.00 0.00 N ATOM 262 CA ARG A 16 0.696 4.744 1.993 1.00 0.00 C ATOM 263 C ARG A 16 1.198 5.848 2.913 1.00 0.00 C ATOM 264 O ARG A 16 1.140 7.031 2.579 1.00 0.00 O ATOM 265 CB ARG A 16 -0.795 4.923 1.698 1.00 0.00 C ATOM 266 CG ARG A 16 -1.133 6.260 1.062 1.00 0.00 C ATOM 267 CD ARG A 16 -1.596 7.269 2.100 1.00 0.00 C ATOM 268 NE ARG A 16 -1.357 8.646 1.671 1.00 0.00 N ATOM 269 CZ ARG A 16 -2.120 9.291 0.792 1.00 0.00 C ATOM 270 NH1 ARG A 16 -3.171 8.691 0.248 1.00 0.00 N ATOM 271 NH2 ARG A 16 -1.832 10.542 0.457 1.00 0.00 N ATOM 0 H ARG A 16 0.617 3.378 3.570 1.00 0.00 H new ATOM 0 HA ARG A 16 1.225 4.795 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.125 4.122 1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.356 4.820 2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.258 6.648 0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.914 6.121 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.660 7.129 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.075 7.087 3.040 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.559 9.141 2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.398 7.730 0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.752 9.191 -0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.026 11.009 0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.416 11.037 -0.217 1.00 0.00 H new ATOM 285 N GLU A 17 1.702 5.437 4.076 1.00 0.00 N ATOM 286 CA GLU A 17 2.235 6.358 5.056 1.00 0.00 C ATOM 287 C GLU A 17 3.753 6.204 5.150 1.00 0.00 C ATOM 288 O GLU A 17 4.463 7.117 5.571 1.00 0.00 O ATOM 289 CB GLU A 17 1.564 6.094 6.408 1.00 0.00 C ATOM 290 CG GLU A 17 2.510 5.642 7.513 1.00 0.00 C ATOM 291 CD GLU A 17 3.358 6.775 8.057 1.00 0.00 C ATOM 292 OE1 GLU A 17 2.975 7.948 7.865 1.00 0.00 O ATOM 293 OE2 GLU A 17 4.405 6.489 8.675 1.00 0.00 O ATOM 0 H GLU A 17 1.748 4.457 4.357 1.00 0.00 H new ATOM 0 HA GLU A 17 2.024 7.384 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.059 7.004 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.795 5.333 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.930 5.205 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.162 4.858 7.129 1.00 0.00 H new ATOM 300 N TYR A 18 4.234 5.037 4.746 1.00 0.00 N ATOM 301 CA TYR A 18 5.656 4.731 4.763 1.00 0.00 C ATOM 302 C TYR A 18 6.317 5.171 3.453 1.00 0.00 C ATOM 303 O TYR A 18 7.501 5.507 3.432 1.00 0.00 O ATOM 304 CB TYR A 18 5.852 3.222 4.967 1.00 0.00 C ATOM 305 CG TYR A 18 5.719 2.458 3.682 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.606 2.649 2.901 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.702 1.590 3.232 1.00 0.00 C ATOM 308 CE1 TYR A 18 4.453 2.013 1.713 1.00 0.00 C ATOM 309 CE2 TYR A 18 6.556 0.927 2.028 1.00 0.00 C ATOM 310 CZ TYR A 18 5.425 1.144 1.267 1.00 0.00 C ATOM 311 OH TYR A 18 5.272 0.496 0.063 1.00 0.00 O ATOM 0 H TYR A 18 3.650 4.277 4.398 1.00 0.00 H new ATOM 0 HA TYR A 18 6.124 5.274 5.584 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.837 3.039 5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.118 2.855 5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.833 3.322 3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.589 1.431 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.570 2.188 1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.320 0.245 1.686 1.00 0.00 H new ATOM 0 HH TYR A 18 6.049 -0.078 -0.100 1.00 0.00 H new ATOM 321 N ARG A 19 5.545 5.171 2.363 1.00 0.00 N ATOM 322 CA ARG A 19 6.067 5.575 1.063 1.00 0.00 C ATOM 323 C ARG A 19 6.017 7.087 0.952 1.00 0.00 C ATOM 324 O ARG A 19 6.902 7.720 0.377 1.00 0.00 O ATOM 325 CB ARG A 19 5.253 4.934 -0.064 1.00 0.00 C ATOM 326 CG ARG A 19 5.940 3.740 -0.708 1.00 0.00 C ATOM 327 CD ARG A 19 4.966 2.917 -1.536 1.00 0.00 C ATOM 328 NE ARG A 19 4.793 3.464 -2.880 1.00 0.00 N ATOM 329 CZ ARG A 19 5.756 3.493 -3.799 1.00 0.00 C ATOM 330 NH1 ARG A 19 6.960 3.006 -3.525 1.00 0.00 N ATOM 331 NH2 ARG A 19 5.514 4.008 -4.997 1.00 0.00 N ATOM 0 H ARG A 19 4.563 4.897 2.358 1.00 0.00 H new ATOM 0 HA ARG A 19 7.100 5.238 0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.288 4.618 0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.054 5.684 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.756 4.087 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.382 3.112 0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.326 1.891 -1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.000 2.882 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 19 3.881 3.846 -3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.152 2.607 -2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.694 3.031 -4.233 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.590 4.382 -5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.252 4.030 -5.701 1.00 0.00 H new ATOM 345 N THR A 20 4.973 7.650 1.536 1.00 0.00 N ATOM 346 CA THR A 20 4.775 9.088 1.551 1.00 0.00 C ATOM 347 C THR A 20 5.930 9.768 2.278 1.00 0.00 C ATOM 348 O THR A 20 6.339 10.873 1.920 1.00 0.00 O ATOM 349 CB THR A 20 3.461 9.403 2.257 1.00 0.00 C ATOM 350 OG1 THR A 20 3.380 10.774 2.606 1.00 0.00 O ATOM 351 CG2 THR A 20 3.286 8.592 3.507 1.00 0.00 C ATOM 0 H THR A 20 4.240 7.124 2.012 1.00 0.00 H new ATOM 0 HA THR A 20 4.740 9.460 0.527 1.00 0.00 H new ATOM 0 HB THR A 20 2.671 9.150 1.550 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.527 10.947 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.337 8.849 3.977 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.291 7.531 3.256 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.102 8.806 4.197 1.00 0.00 H new ATOM 359 N LYS A 21 6.453 9.096 3.305 1.00 0.00 N ATOM 360 CA LYS A 21 7.561 9.635 4.083 1.00 0.00 C ATOM 361 C LYS A 21 8.795 9.830 3.207 1.00 0.00 C ATOM 362 O LYS A 21 9.583 10.750 3.424 1.00 0.00 O ATOM 363 CB LYS A 21 7.892 8.703 5.250 1.00 0.00 C ATOM 364 CG LYS A 21 8.442 9.427 6.468 1.00 0.00 C ATOM 365 CD LYS A 21 8.137 8.670 7.750 1.00 0.00 C ATOM 366 CE LYS A 21 6.759 9.019 8.290 1.00 0.00 C ATOM 367 NZ LYS A 21 6.610 8.642 9.722 1.00 0.00 N ATOM 0 H LYS A 21 6.126 8.181 3.614 1.00 0.00 H new ATOM 0 HA LYS A 21 7.259 10.606 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.992 8.159 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.620 7.963 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.520 9.549 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.012 10.427 6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.195 7.598 7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.893 8.904 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.586 10.089 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.998 8.509 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.877 7.910 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.514 8.274 10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.334 9.479 10.274 1.00 0.00 H new ATOM 381 N ARG A 22 8.956 8.956 2.219 1.00 0.00 N ATOM 382 CA ARG A 22 10.094 9.033 1.310 1.00 0.00 C ATOM 383 C ARG A 22 9.686 9.628 -0.034 1.00 0.00 C ATOM 384 O ARG A 22 10.366 9.431 -1.042 1.00 0.00 O ATOM 385 CB ARG A 22 10.700 7.644 1.103 1.00 0.00 C ATOM 386 CG ARG A 22 10.982 6.903 2.399 1.00 0.00 C ATOM 387 CD ARG A 22 10.728 5.411 2.256 1.00 0.00 C ATOM 388 NE ARG A 22 11.357 4.862 1.057 1.00 0.00 N ATOM 389 CZ ARG A 22 11.075 3.661 0.556 1.00 0.00 C ATOM 390 NH1 ARG A 22 10.175 2.883 1.144 1.00 0.00 N ATOM 391 NH2 ARG A 22 11.693 3.238 -0.538 1.00 0.00 N ATOM 0 H ARG A 22 8.314 8.187 2.027 1.00 0.00 H new ATOM 0 HA ARG A 22 10.841 9.687 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.021 7.048 0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.629 7.742 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.017 7.070 2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.353 7.305 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.109 4.892 3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.654 5.228 2.219 1.00 0.00 H new ATOM 0 HE ARG A 22 12.053 5.432 0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.695 3.204 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.963 1.964 0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.384 3.832 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.477 2.318 -0.922 1.00 0.00 H new ATOM 405 N GLN A 23 8.574 10.358 -0.048 1.00 0.00 N ATOM 406 CA GLN A 23 8.084 10.979 -1.272 1.00 0.00 C ATOM 407 C GLN A 23 9.061 12.040 -1.772 1.00 0.00 C ATOM 408 O GLN A 23 9.170 12.279 -2.975 1.00 0.00 O ATOM 409 CB GLN A 23 6.708 11.607 -1.036 1.00 0.00 C ATOM 410 CG GLN A 23 5.861 11.714 -2.294 1.00 0.00 C ATOM 411 CD GLN A 23 5.730 10.392 -3.026 1.00 0.00 C ATOM 412 OE1 GLN A 23 5.550 9.313 -2.274 1.00 0.00 O flip ATOM 413 NE2 GLN A 23 5.791 10.342 -4.255 1.00 0.00 N flip ATOM 0 H GLN A 23 7.997 10.533 0.774 1.00 0.00 H new ATOM 0 HA GLN A 23 7.996 10.204 -2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.170 11.015 -0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.841 12.602 -0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.868 12.078 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.303 12.453 -2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.930 11.197 -4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.702 9.446 -4.734 1.00 0.00 H new ATOM 422 N THR A 24 9.768 12.671 -0.841 1.00 0.00 N ATOM 423 CA THR A 24 10.737 13.705 -1.188 1.00 0.00 C ATOM 424 C THR A 24 11.867 13.130 -2.036 1.00 0.00 C ATOM 425 O THR A 24 12.931 12.786 -1.520 1.00 0.00 O ATOM 426 CB THR A 24 11.309 14.344 0.078 1.00 0.00 C ATOM 427 OG1 THR A 24 12.118 13.419 0.785 1.00 0.00 O ATOM 428 CG2 THR A 24 10.243 14.843 1.031 1.00 0.00 C ATOM 0 H THR A 24 9.689 12.485 0.159 1.00 0.00 H new ATOM 0 HA THR A 24 10.222 14.468 -1.771 1.00 0.00 H new ATOM 0 HB THR A 24 11.893 15.197 -0.267 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.600 12.852 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.717 15.285 1.908 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.632 15.595 0.532 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.613 14.009 1.340 1.00 0.00 H new ATOM 436 N SER A 25 11.627 13.027 -3.339 1.00 0.00 N ATOM 437 CA SER A 25 12.623 12.492 -4.260 1.00 0.00 C ATOM 438 C SER A 25 12.118 12.556 -5.700 1.00 0.00 C ATOM 439 O SER A 25 11.154 13.261 -5.997 1.00 0.00 O ATOM 440 CB SER A 25 12.968 11.047 -3.887 1.00 0.00 C ATOM 441 OG SER A 25 14.368 10.833 -3.917 1.00 0.00 O ATOM 0 H SER A 25 10.751 13.307 -3.781 1.00 0.00 H new ATOM 0 HA SER A 25 13.523 13.102 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.584 10.824 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.477 10.362 -4.579 1.00 0.00 H new ATOM 0 HG SER A 25 14.562 9.904 -3.674 1.00 0.00 H new ATOM 447 N GLY A 26 12.774 11.816 -6.590 1.00 0.00 N ATOM 448 CA GLY A 26 12.373 11.805 -7.986 1.00 0.00 C ATOM 449 C GLY A 26 10.902 11.481 -8.166 1.00 0.00 C ATOM 450 O GLY A 26 10.241 12.034 -9.045 1.00 0.00 O ATOM 0 H GLY A 26 13.575 11.224 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.584 12.778 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.972 11.072 -8.527 1.00 0.00 H new ATOM 454 N GLY A 27 10.389 10.586 -7.328 1.00 0.00 N ATOM 455 CA GLY A 27 8.991 10.206 -7.412 1.00 0.00 C ATOM 456 C GLY A 27 8.612 9.668 -8.779 1.00 0.00 C ATOM 457 O GLY A 27 8.295 10.441 -9.683 1.00 0.00 O ATOM 0 H GLY A 27 10.917 10.117 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.778 9.450 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.369 11.071 -7.181 1.00 0.00 H new ATOM 461 N PRO A 28 8.633 8.337 -8.964 1.00 0.00 N ATOM 462 CA PRO A 28 8.283 7.714 -10.245 1.00 0.00 C ATOM 463 C PRO A 28 6.806 7.885 -10.581 1.00 0.00 C ATOM 464 O PRO A 28 6.022 8.341 -9.752 1.00 0.00 O ATOM 465 CB PRO A 28 8.615 6.235 -10.029 1.00 0.00 C ATOM 466 CG PRO A 28 8.545 6.039 -8.555 1.00 0.00 C ATOM 467 CD PRO A 28 8.997 7.337 -7.944 1.00 0.00 C ATOM 0 HA PRO A 28 8.822 8.164 -11.078 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.905 5.591 -10.548 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.606 5.992 -10.413 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.531 5.792 -8.242 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.185 5.215 -8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.497 7.530 -6.995 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.069 7.337 -7.746 1.00 0.00 H new ATOM 475 N VAL A 29 6.436 7.517 -11.806 1.00 0.00 N ATOM 476 CA VAL A 29 5.053 7.626 -12.267 1.00 0.00 C ATOM 477 C VAL A 29 4.486 9.016 -12.020 1.00 0.00 C ATOM 478 O VAL A 29 5.168 9.895 -11.495 1.00 0.00 O ATOM 479 CB VAL A 29 4.137 6.567 -11.595 1.00 0.00 C ATOM 480 CG1 VAL A 29 3.394 7.135 -10.381 1.00 0.00 C ATOM 481 CG2 VAL A 29 3.150 6.007 -12.609 1.00 0.00 C ATOM 0 H VAL A 29 7.079 7.138 -12.501 1.00 0.00 H new ATOM 0 HA VAL A 29 5.072 7.441 -13.341 1.00 0.00 H new ATOM 0 HB VAL A 29 4.777 5.762 -11.234 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.766 6.359 -9.943 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.116 7.478 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.771 7.972 -10.695 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.513 5.266 -12.126 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.533 6.815 -13.001 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.696 5.538 -13.428 1.00 0.00 H new ATOM 491 N ASP A 30 3.219 9.194 -12.377 1.00 0.00 N ATOM 492 CA ASP A 30 2.543 10.461 -12.167 1.00 0.00 C ATOM 493 C ASP A 30 2.225 10.606 -10.688 1.00 0.00 C ATOM 494 O ASP A 30 1.065 10.689 -10.290 1.00 0.00 O ATOM 495 CB ASP A 30 1.259 10.532 -12.997 1.00 0.00 C ATOM 496 CG ASP A 30 1.528 10.444 -14.486 1.00 0.00 C ATOM 497 OD1 ASP A 30 2.443 9.690 -14.880 1.00 0.00 O ATOM 498 OD2 ASP A 30 0.825 11.129 -15.259 1.00 0.00 O ATOM 0 H ASP A 30 2.642 8.474 -12.813 1.00 0.00 H new ATOM 0 HA ASP A 30 3.192 11.276 -12.486 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.594 9.721 -12.702 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.740 11.465 -12.779 1.00 0.00 H new ATOM 503 N ALA A 31 3.282 10.605 -9.882 1.00 0.00 N ATOM 504 CA ALA A 31 3.170 10.709 -8.436 1.00 0.00 C ATOM 505 C ALA A 31 2.636 12.069 -8.007 1.00 0.00 C ATOM 506 O ALA A 31 3.248 12.765 -7.197 1.00 0.00 O ATOM 507 CB ALA A 31 4.526 10.437 -7.805 1.00 0.00 C ATOM 0 H ALA A 31 4.243 10.532 -10.217 1.00 0.00 H new ATOM 0 HA ALA A 31 2.453 9.964 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.445 10.514 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.858 9.434 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.249 11.167 -8.168 1.00 0.00 H new ATOM 513 N GLY A 32 1.483 12.433 -8.547 1.00 0.00 N ATOM 514 CA GLY A 32 0.867 13.696 -8.207 1.00 0.00 C ATOM 515 C GLY A 32 -0.007 13.577 -6.975 1.00 0.00 C ATOM 516 O GLY A 32 0.376 12.924 -6.005 1.00 0.00 O ATOM 0 H GLY A 32 0.961 11.871 -9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.641 14.444 -8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.267 14.047 -9.047 1.00 0.00 H new ATOM 520 N PRO A 33 -1.191 14.207 -6.973 1.00 0.00 N ATOM 521 CA PRO A 33 -2.098 14.167 -5.840 1.00 0.00 C ATOM 522 C PRO A 33 -3.131 13.050 -5.930 1.00 0.00 C ATOM 523 O PRO A 33 -4.154 13.097 -5.246 1.00 0.00 O ATOM 524 CB PRO A 33 -2.774 15.530 -5.930 1.00 0.00 C ATOM 525 CG PRO A 33 -2.844 15.822 -7.398 1.00 0.00 C ATOM 526 CD PRO A 33 -1.739 15.030 -8.064 1.00 0.00 C ATOM 0 HA PRO A 33 -1.579 13.970 -4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.768 15.510 -5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.201 16.292 -5.401 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.817 15.539 -7.801 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.719 16.889 -7.585 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.123 14.413 -8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.980 15.684 -8.492 1.00 0.00 H new ATOM 534 N GLU A 34 -2.870 12.040 -6.755 1.00 0.00 N ATOM 535 CA GLU A 34 -3.807 10.931 -6.876 1.00 0.00 C ATOM 536 C GLU A 34 -3.190 9.737 -7.584 1.00 0.00 C ATOM 537 O GLU A 34 -3.889 8.922 -8.186 1.00 0.00 O ATOM 538 CB GLU A 34 -5.083 11.375 -7.594 1.00 0.00 C ATOM 539 CG GLU A 34 -6.278 10.479 -7.320 1.00 0.00 C ATOM 540 CD GLU A 34 -7.549 10.986 -7.973 1.00 0.00 C ATOM 541 OE1 GLU A 34 -7.815 12.203 -7.890 1.00 0.00 O ATOM 542 OE2 GLU A 34 -8.278 10.165 -8.569 1.00 0.00 O ATOM 0 H GLU A 34 -2.036 11.967 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.063 10.616 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.326 12.393 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.896 11.399 -8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.064 9.473 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.432 10.404 -6.244 1.00 0.00 H new ATOM 549 N TYR A 35 -1.882 9.616 -7.458 1.00 0.00 N ATOM 550 CA TYR A 35 -1.150 8.500 -8.027 1.00 0.00 C ATOM 551 C TYR A 35 -1.351 7.257 -7.161 1.00 0.00 C ATOM 552 O TYR A 35 -0.715 6.236 -7.390 1.00 0.00 O ATOM 553 CB TYR A 35 0.335 8.830 -8.055 1.00 0.00 C ATOM 554 CG TYR A 35 0.956 8.584 -6.708 1.00 0.00 C ATOM 555 CD1 TYR A 35 0.379 9.128 -5.573 1.00 0.00 C ATOM 556 CD2 TYR A 35 2.063 7.770 -6.561 1.00 0.00 C ATOM 557 CE1 TYR A 35 0.883 8.879 -4.328 1.00 0.00 C ATOM 558 CE2 TYR A 35 2.588 7.514 -5.314 1.00 0.00 C ATOM 559 CZ TYR A 35 1.994 8.069 -4.193 1.00 0.00 C ATOM 560 OH TYR A 35 2.510 7.812 -2.944 1.00 0.00 O ATOM 0 H TYR A 35 -1.298 10.287 -6.959 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.515 8.314 -9.037 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.834 8.221 -8.809 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.476 9.872 -8.342 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.489 9.763 -5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.522 7.330 -7.434 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.416 9.312 -3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.459 6.883 -5.211 1.00 0.00 H new ATOM 0 HH TYR A 35 2.140 8.451 -2.299 1.00 0.00 H new ATOM 570 N GLN A 36 -2.216 7.360 -6.143 1.00 0.00 N ATOM 571 CA GLN A 36 -2.478 6.245 -5.232 1.00 0.00 C ATOM 572 C GLN A 36 -2.571 4.928 -5.989 1.00 0.00 C ATOM 573 O GLN A 36 -2.251 3.865 -5.457 1.00 0.00 O ATOM 574 CB GLN A 36 -3.770 6.491 -4.451 1.00 0.00 C ATOM 575 CG GLN A 36 -3.754 7.774 -3.637 1.00 0.00 C ATOM 576 CD GLN A 36 -2.571 7.849 -2.691 1.00 0.00 C ATOM 577 OE1 GLN A 36 -2.271 6.894 -1.975 1.00 0.00 O ATOM 578 NE2 GLN A 36 -1.892 8.990 -2.684 1.00 0.00 N ATOM 0 H GLN A 36 -2.745 8.206 -5.932 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.644 6.179 -4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.606 6.524 -5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.946 5.649 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.729 8.629 -4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.678 7.848 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.176 9.756 -3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.086 9.100 -2.068 1.00 0.00 H new ATOM 587 N GLN A 37 -3.005 5.012 -7.238 1.00 0.00 N ATOM 588 CA GLN A 37 -3.134 3.832 -8.082 1.00 0.00 C ATOM 589 C GLN A 37 -1.764 3.240 -8.406 1.00 0.00 C ATOM 590 O GLN A 37 -1.660 2.070 -8.776 1.00 0.00 O ATOM 591 CB GLN A 37 -3.873 4.179 -9.375 1.00 0.00 C ATOM 592 CG GLN A 37 -4.348 2.961 -10.150 1.00 0.00 C ATOM 593 CD GLN A 37 -5.184 3.329 -11.360 1.00 0.00 C ATOM 594 OE1 GLN A 37 -4.885 2.921 -12.483 1.00 0.00 O ATOM 595 NE2 GLN A 37 -6.238 4.105 -11.137 1.00 0.00 N ATOM 0 H GLN A 37 -3.274 5.886 -7.690 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.710 3.087 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.733 4.805 -9.136 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.215 4.771 -10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.484 2.381 -10.473 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.933 2.321 -9.490 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.448 4.420 -10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.837 4.386 -11.913 1.00 0.00 H new ATOM 604 N ASP A 38 -0.713 4.045 -8.257 1.00 0.00 N ATOM 605 CA ASP A 38 0.639 3.587 -8.527 1.00 0.00 C ATOM 606 C ASP A 38 1.299 3.104 -7.242 1.00 0.00 C ATOM 607 O ASP A 38 2.136 2.202 -7.258 1.00 0.00 O ATOM 608 CB ASP A 38 1.461 4.710 -9.159 1.00 0.00 C ATOM 609 CG ASP A 38 2.163 4.263 -10.425 1.00 0.00 C ATOM 610 OD1 ASP A 38 1.469 4.027 -11.437 1.00 0.00 O ATOM 611 OD2 ASP A 38 3.407 4.150 -10.408 1.00 0.00 O ATOM 0 H ASP A 38 -0.777 5.016 -7.951 1.00 0.00 H new ATOM 0 HA ASP A 38 0.593 2.753 -9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.808 5.553 -9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.201 5.065 -8.441 1.00 0.00 H new ATOM 616 N LEU A 39 0.901 3.705 -6.127 1.00 0.00 N ATOM 617 CA LEU A 39 1.434 3.332 -4.825 1.00 0.00 C ATOM 618 C LEU A 39 0.632 2.173 -4.242 1.00 0.00 C ATOM 619 O LEU A 39 1.122 1.436 -3.385 1.00 0.00 O ATOM 620 CB LEU A 39 1.405 4.537 -3.876 1.00 0.00 C ATOM 621 CG LEU A 39 1.569 4.210 -2.389 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.376 5.294 -1.689 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.209 4.049 -1.728 1.00 0.00 C ATOM 0 H LEU A 39 0.209 4.454 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 39 2.469 3.012 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.197 5.226 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.460 5.062 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 39 2.110 3.268 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.482 5.044 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.363 5.365 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.862 6.250 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.343 3.817 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.356 4.976 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.337 3.238 -2.211 1.00 0.00 H new ATOM 635 N ASP A 40 -0.599 2.011 -4.718 1.00 0.00 N ATOM 636 CA ASP A 40 -1.461 0.936 -4.249 1.00 0.00 C ATOM 637 C ASP A 40 -1.173 -0.351 -5.015 1.00 0.00 C ATOM 638 O ASP A 40 -1.336 -1.449 -4.485 1.00 0.00 O ATOM 639 CB ASP A 40 -2.932 1.323 -4.407 1.00 0.00 C ATOM 640 CG ASP A 40 -3.870 0.276 -3.837 1.00 0.00 C ATOM 641 OD1 ASP A 40 -3.686 -0.108 -2.663 1.00 0.00 O ATOM 642 OD2 ASP A 40 -4.788 -0.160 -4.564 1.00 0.00 O ATOM 0 H ASP A 40 -1.020 2.611 -5.428 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.255 0.768 -3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.110 2.276 -3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.155 1.470 -5.464 1.00 0.00 H new ATOM 647 N ARG A 41 -0.735 -0.206 -6.263 1.00 0.00 N ATOM 648 CA ARG A 41 -0.416 -1.359 -7.092 1.00 0.00 C ATOM 649 C ARG A 41 0.871 -2.022 -6.615 1.00 0.00 C ATOM 650 O ARG A 41 1.029 -3.239 -6.718 1.00 0.00 O ATOM 651 CB ARG A 41 -0.287 -0.945 -8.561 1.00 0.00 C ATOM 652 CG ARG A 41 0.933 -0.084 -8.850 1.00 0.00 C ATOM 653 CD ARG A 41 1.983 -0.846 -9.643 1.00 0.00 C ATOM 654 NE ARG A 41 1.659 -0.906 -11.066 1.00 0.00 N ATOM 655 CZ ARG A 41 2.419 -1.512 -11.974 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.548 -2.109 -11.614 1.00 0.00 N ATOM 657 NH2 ARG A 41 2.051 -1.520 -13.248 1.00 0.00 N ATOM 0 H ARG A 41 -0.594 0.696 -6.719 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.230 -2.079 -7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.242 -1.842 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.183 -0.399 -8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.629 0.803 -9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.366 0.261 -7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.954 -0.367 -9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.071 -1.858 -9.248 1.00 0.00 H new ATOM 0 HE ARG A 41 0.799 -0.457 -11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.838 -2.105 -10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.126 -2.572 -12.315 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.185 -1.061 -13.532 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.634 -1.985 -13.944 1.00 0.00 H new ATOM 671 N GLU A 42 1.785 -1.217 -6.080 1.00 0.00 N ATOM 672 CA GLU A 42 3.049 -1.736 -5.576 1.00 0.00 C ATOM 673 C GLU A 42 2.848 -2.362 -4.205 1.00 0.00 C ATOM 674 O GLU A 42 3.349 -3.452 -3.930 1.00 0.00 O ATOM 675 CB GLU A 42 4.097 -0.623 -5.501 1.00 0.00 C ATOM 676 CG GLU A 42 5.458 -1.101 -5.021 1.00 0.00 C ATOM 677 CD GLU A 42 6.278 -1.733 -6.129 1.00 0.00 C ATOM 678 OE1 GLU A 42 6.012 -2.905 -6.469 1.00 0.00 O ATOM 679 OE2 GLU A 42 7.184 -1.056 -6.657 1.00 0.00 O ATOM 0 H GLU A 42 1.673 -0.208 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 42 3.408 -2.501 -6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.207 -0.171 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.738 0.158 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.008 -0.258 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.322 -1.824 -4.217 1.00 0.00 H new ATOM 686 N LEU A 43 2.092 -1.677 -3.354 1.00 0.00 N ATOM 687 CA LEU A 43 1.810 -2.187 -2.022 1.00 0.00 C ATOM 688 C LEU A 43 0.891 -3.396 -2.122 1.00 0.00 C ATOM 689 O LEU A 43 0.960 -4.316 -1.305 1.00 0.00 O ATOM 690 CB LEU A 43 1.176 -1.101 -1.147 1.00 0.00 C ATOM 691 CG LEU A 43 -0.282 -0.758 -1.459 1.00 0.00 C ATOM 692 CD1 LEU A 43 -1.222 -1.816 -0.898 1.00 0.00 C ATOM 693 CD2 LEU A 43 -0.626 0.615 -0.898 1.00 0.00 C ATOM 0 H LEU A 43 1.667 -0.774 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 43 2.747 -2.489 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.240 -1.417 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.771 -0.193 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.408 -0.738 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.252 -1.549 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.988 -2.783 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.100 -1.874 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.666 0.851 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.482 0.613 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.023 1.365 -1.349 1.00 0.00 H new ATOM 705 N PHE A 44 0.039 -3.390 -3.142 1.00 0.00 N ATOM 706 CA PHE A 44 -0.888 -4.487 -3.372 1.00 0.00 C ATOM 707 C PHE A 44 -0.119 -5.790 -3.560 1.00 0.00 C ATOM 708 O PHE A 44 -0.577 -6.858 -3.156 1.00 0.00 O ATOM 709 CB PHE A 44 -1.757 -4.184 -4.601 1.00 0.00 C ATOM 710 CG PHE A 44 -2.348 -5.401 -5.259 1.00 0.00 C ATOM 711 CD1 PHE A 44 -2.892 -6.424 -4.498 1.00 0.00 C ATOM 712 CD2 PHE A 44 -2.360 -5.517 -6.639 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.436 -7.540 -5.104 1.00 0.00 C ATOM 714 CE2 PHE A 44 -2.902 -6.630 -7.250 1.00 0.00 C ATOM 715 CZ PHE A 44 -3.442 -7.643 -6.481 1.00 0.00 C ATOM 0 H PHE A 44 -0.027 -2.634 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.540 -4.597 -2.505 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.567 -3.518 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.155 -3.646 -5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.891 -6.348 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.940 -4.727 -7.244 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.856 -8.331 -4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.904 -6.709 -8.327 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.868 -8.514 -6.956 1.00 0.00 H new ATOM 725 N LYS A 45 1.060 -5.692 -4.171 1.00 0.00 N ATOM 726 CA LYS A 45 1.894 -6.863 -4.404 1.00 0.00 C ATOM 727 C LYS A 45 2.133 -7.622 -3.103 1.00 0.00 C ATOM 728 O LYS A 45 2.094 -8.850 -3.077 1.00 0.00 O ATOM 729 CB LYS A 45 3.231 -6.451 -5.025 1.00 0.00 C ATOM 730 CG LYS A 45 3.126 -6.070 -6.492 1.00 0.00 C ATOM 731 CD LYS A 45 4.376 -6.467 -7.261 1.00 0.00 C ATOM 732 CE LYS A 45 4.755 -5.416 -8.291 1.00 0.00 C ATOM 733 NZ LYS A 45 6.153 -5.589 -8.774 1.00 0.00 N ATOM 0 H LYS A 45 1.456 -4.816 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 45 1.371 -7.521 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.637 -5.607 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.939 -7.273 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.256 -6.556 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.970 -4.995 -6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.202 -6.610 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.210 -7.422 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.069 -5.473 -9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.642 -4.423 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.372 -4.852 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.810 -5.509 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.255 -6.526 -9.213 1.00 0.00 H new ATOM 747 N LEU A 46 2.368 -6.880 -2.021 1.00 0.00 N ATOM 748 CA LEU A 46 2.601 -7.483 -0.717 1.00 0.00 C ATOM 749 C LEU A 46 1.417 -8.352 -0.315 1.00 0.00 C ATOM 750 O LEU A 46 1.580 -9.522 0.031 1.00 0.00 O ATOM 751 CB LEU A 46 2.834 -6.398 0.337 1.00 0.00 C ATOM 752 CG LEU A 46 4.292 -5.971 0.518 1.00 0.00 C ATOM 753 CD1 LEU A 46 4.395 -4.854 1.545 1.00 0.00 C ATOM 754 CD2 LEU A 46 5.151 -7.160 0.928 1.00 0.00 C ATOM 0 H LEU A 46 2.401 -5.861 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 46 3.491 -8.109 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.245 -5.521 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.455 -6.756 1.294 1.00 0.00 H new ATOM 0 HG LEU A 46 4.663 -5.595 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.439 -4.562 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.814 -3.996 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.007 -5.203 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.185 -6.837 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.783 -7.567 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.101 -7.928 0.156 1.00 0.00 H new ATOM 766 N LYS A 47 0.222 -7.771 -0.370 1.00 0.00 N ATOM 767 CA LYS A 47 -0.997 -8.490 -0.016 1.00 0.00 C ATOM 768 C LYS A 47 -1.055 -9.844 -0.720 1.00 0.00 C ATOM 769 O LYS A 47 -1.625 -10.802 -0.198 1.00 0.00 O ATOM 770 CB LYS A 47 -2.229 -7.659 -0.383 1.00 0.00 C ATOM 771 CG LYS A 47 -3.531 -8.238 0.146 1.00 0.00 C ATOM 772 CD LYS A 47 -4.734 -7.472 -0.381 1.00 0.00 C ATOM 773 CE LYS A 47 -4.818 -6.081 0.224 1.00 0.00 C ATOM 774 NZ LYS A 47 -5.996 -5.324 -0.283 1.00 0.00 N ATOM 0 H LYS A 47 0.072 -6.804 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.989 -8.660 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.105 -6.649 0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.292 -7.577 -1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.609 -9.286 -0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.528 -8.208 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.670 -7.394 -1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.646 -8.024 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.878 -6.160 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.906 -5.530 -0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.333 -4.672 0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.723 -4.781 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.756 -5.989 -0.530 1.00 0.00 H new ATOM 788 N GLN A 48 -0.456 -9.917 -1.906 1.00 0.00 N ATOM 789 CA GLN A 48 -0.438 -11.157 -2.675 1.00 0.00 C ATOM 790 C GLN A 48 0.587 -12.131 -2.105 1.00 0.00 C ATOM 791 O GLN A 48 0.416 -13.348 -2.185 1.00 0.00 O ATOM 792 CB GLN A 48 -0.126 -10.868 -4.145 1.00 0.00 C ATOM 793 CG GLN A 48 -1.229 -10.107 -4.862 1.00 0.00 C ATOM 794 CD GLN A 48 -2.484 -10.937 -5.049 1.00 0.00 C ATOM 795 OE1 GLN A 48 -2.673 -11.573 -6.085 1.00 0.00 O ATOM 796 NE2 GLN A 48 -3.351 -10.933 -4.042 1.00 0.00 N ATOM 0 H GLN A 48 0.022 -9.135 -2.354 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.425 -11.614 -2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.799 -10.294 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.049 -11.811 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.473 -9.209 -4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.866 -9.780 -5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.153 -10.391 -3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.214 -11.472 -4.110 1.00 0.00 H new ATOM 805 N MET A 49 1.649 -11.587 -1.520 1.00 0.00 N ATOM 806 CA MET A 49 2.699 -12.407 -0.924 1.00 0.00 C ATOM 807 C MET A 49 2.308 -12.814 0.491 1.00 0.00 C ATOM 808 O MET A 49 2.699 -13.877 0.976 1.00 0.00 O ATOM 809 CB MET A 49 4.037 -11.654 -0.899 1.00 0.00 C ATOM 810 CG MET A 49 4.151 -10.563 -1.952 1.00 0.00 C ATOM 811 SD MET A 49 5.783 -9.800 -2.001 1.00 0.00 S ATOM 812 CE MET A 49 5.367 -8.171 -2.619 1.00 0.00 C ATOM 0 H MET A 49 1.806 -10.582 -1.446 1.00 0.00 H new ATOM 0 HA MET A 49 2.818 -13.301 -1.536 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.174 -11.209 0.087 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.847 -12.369 -1.042 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.924 -10.985 -2.931 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.403 -9.795 -1.755 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.223 -7.753 -3.148 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.520 -8.246 -3.301 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.104 -7.521 -1.784 1.00 0.00 H new ATOM 822 N TYR A 50 1.527 -11.960 1.147 1.00 0.00 N ATOM 823 CA TYR A 50 1.073 -12.225 2.505 1.00 0.00 C ATOM 824 C TYR A 50 -0.097 -13.204 2.499 1.00 0.00 C ATOM 825 O TYR A 50 -0.271 -13.984 3.435 1.00 0.00 O ATOM 826 CB TYR A 50 0.657 -10.919 3.187 1.00 0.00 C ATOM 827 CG TYR A 50 1.824 -10.085 3.666 1.00 0.00 C ATOM 828 CD1 TYR A 50 2.532 -10.438 4.808 1.00 0.00 C ATOM 829 CD2 TYR A 50 2.218 -8.943 2.976 1.00 0.00 C ATOM 830 CE1 TYR A 50 3.598 -9.679 5.249 1.00 0.00 C ATOM 831 CE2 TYR A 50 3.284 -8.179 3.413 1.00 0.00 C ATOM 832 CZ TYR A 50 3.970 -8.550 4.549 1.00 0.00 C ATOM 833 OH TYR A 50 5.031 -7.793 4.986 1.00 0.00 O ATOM 0 H TYR A 50 1.196 -11.077 0.757 1.00 0.00 H new ATOM 0 HA TYR A 50 1.897 -12.671 3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.062 -10.329 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.015 -11.152 4.037 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.244 -11.320 5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.683 -8.649 2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.138 -9.968 6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.578 -7.295 2.866 1.00 0.00 H new ATOM 0 HH TYR A 50 5.162 -7.034 4.381 1.00 0.00 H new ATOM 843 N GLY A 51 -0.895 -13.159 1.437 1.00 0.00 N ATOM 844 CA GLY A 51 -2.035 -14.049 1.328 1.00 0.00 C ATOM 845 C GLY A 51 -1.644 -15.435 0.856 1.00 0.00 C ATOM 846 O GLY A 51 -2.345 -16.411 1.126 1.00 0.00 O ATOM 0 H GLY A 51 -0.772 -12.522 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.528 -14.124 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.760 -13.623 0.634 1.00 0.00 H new ATOM 850 N LYS A 52 -0.522 -15.523 0.148 1.00 0.00 N ATOM 851 CA LYS A 52 -0.038 -16.799 -0.363 1.00 0.00 C ATOM 852 C LYS A 52 0.864 -17.489 0.655 1.00 0.00 C ATOM 853 O LYS A 52 0.934 -18.717 0.704 1.00 0.00 O ATOM 854 CB LYS A 52 0.720 -16.593 -1.676 1.00 0.00 C ATOM 855 CG LYS A 52 0.702 -17.809 -2.587 1.00 0.00 C ATOM 856 CD LYS A 52 -0.652 -17.985 -3.254 1.00 0.00 C ATOM 857 CE LYS A 52 -0.512 -18.543 -4.661 1.00 0.00 C ATOM 858 NZ LYS A 52 -0.200 -19.999 -4.652 1.00 0.00 N ATOM 0 H LYS A 52 0.069 -14.725 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.902 -17.438 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.286 -15.745 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.754 -16.333 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.474 -17.705 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.943 -18.701 -2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.269 -18.655 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.168 -17.025 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.437 -18.373 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.277 -18.006 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.112 -20.341 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.695 -20.159 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.965 -20.515 -4.172 1.00 0.00 H new ATOM 872 N ALA A 53 1.554 -16.693 1.467 1.00 0.00 N ATOM 873 CA ALA A 53 2.451 -17.233 2.482 1.00 0.00 C ATOM 874 C ALA A 53 1.782 -17.266 3.854 1.00 0.00 C ATOM 875 O ALA A 53 2.456 -17.363 4.880 1.00 0.00 O ATOM 876 CB ALA A 53 3.732 -16.415 2.540 1.00 0.00 C ATOM 0 H ALA A 53 1.509 -15.674 1.442 1.00 0.00 H new ATOM 0 HA ALA A 53 2.695 -18.258 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.393 -16.828 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.229 -16.448 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.493 -15.381 2.789 1.00 0.00 H new ATOM 882 N ASP A 54 0.453 -17.188 3.869 1.00 0.00 N ATOM 883 CA ASP A 54 -0.304 -17.212 5.117 1.00 0.00 C ATOM 884 C ASP A 54 0.216 -16.162 6.098 1.00 0.00 C ATOM 885 O ASP A 54 0.063 -16.308 7.310 1.00 0.00 O ATOM 886 CB ASP A 54 -0.231 -18.601 5.754 1.00 0.00 C ATOM 887 CG ASP A 54 -1.458 -18.922 6.583 1.00 0.00 C ATOM 888 OD1 ASP A 54 -2.512 -19.231 5.988 1.00 0.00 O ATOM 889 OD2 ASP A 54 -1.367 -18.863 7.827 1.00 0.00 O ATOM 0 H ASP A 54 -0.122 -17.108 3.030 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.343 -16.978 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.118 -19.351 4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.656 -18.662 6.384 1.00 0.00 H new ATOM 894 N MET A 55 0.828 -15.106 5.564 1.00 0.00 N ATOM 895 CA MET A 55 1.374 -14.023 6.383 1.00 0.00 C ATOM 896 C MET A 55 2.096 -14.564 7.617 1.00 0.00 C ATOM 897 O MET A 55 2.050 -13.961 8.688 1.00 0.00 O ATOM 898 CB MET A 55 0.262 -13.055 6.801 1.00 0.00 C ATOM 899 CG MET A 55 -0.722 -13.633 7.807 1.00 0.00 C ATOM 900 SD MET A 55 -2.191 -14.325 7.024 1.00 0.00 S ATOM 901 CE MET A 55 -2.524 -15.719 8.098 1.00 0.00 C ATOM 0 H MET A 55 0.959 -14.977 4.561 1.00 0.00 H new ATOM 0 HA MET A 55 2.103 -13.485 5.777 1.00 0.00 H new ATOM 0 HB2 MET A 55 0.716 -12.160 7.226 1.00 0.00 H new ATOM 0 HB3 MET A 55 -0.286 -12.743 5.912 1.00 0.00 H new ATOM 0 HG2 MET A 55 -0.226 -14.409 8.390 1.00 0.00 H new ATOM 0 HG3 MET A 55 -1.021 -12.852 8.506 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.696 -16.610 7.495 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.670 -15.884 8.755 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.409 -15.512 8.699 1.00 0.00 H new ATOM 911 N ASN A 56 2.761 -15.704 7.456 1.00 0.00 N ATOM 912 CA ASN A 56 3.491 -16.325 8.556 1.00 0.00 C ATOM 913 C ASN A 56 4.990 -16.337 8.276 1.00 0.00 C ATOM 914 O ASN A 56 5.586 -17.396 8.074 1.00 0.00 O ATOM 915 CB ASN A 56 2.988 -17.751 8.787 1.00 0.00 C ATOM 916 CG ASN A 56 1.672 -17.787 9.538 1.00 0.00 C ATOM 917 OD1 ASN A 56 1.383 -16.907 10.349 1.00 0.00 O ATOM 918 ND2 ASN A 56 0.865 -18.807 9.272 1.00 0.00 N ATOM 0 H ASN A 56 2.809 -16.216 6.575 1.00 0.00 H new ATOM 0 HA ASN A 56 3.315 -15.736 9.456 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.868 -18.251 7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.737 -18.311 9.346 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.034 -18.883 9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.144 -19.514 8.592 1.00 0.00 H new ATOM 925 N THR A 57 5.595 -15.153 8.265 1.00 0.00 N ATOM 926 CA THR A 57 7.025 -15.028 8.010 1.00 0.00 C ATOM 927 C THR A 57 7.473 -13.575 8.131 1.00 0.00 C ATOM 928 O THR A 57 8.542 -13.288 8.668 1.00 0.00 O ATOM 929 CB THR A 57 7.365 -15.564 6.620 1.00 0.00 C ATOM 930 OG1 THR A 57 8.714 -15.282 6.290 1.00 0.00 O ATOM 931 CG2 THR A 57 6.495 -14.987 5.525 1.00 0.00 C ATOM 0 H THR A 57 5.117 -14.267 8.430 1.00 0.00 H new ATOM 0 HA THR A 57 7.555 -15.617 8.758 1.00 0.00 H new ATOM 0 HB THR A 57 7.187 -16.638 6.674 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.913 -15.634 5.397 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.790 -15.410 4.565 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.451 -15.230 5.723 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.616 -13.904 5.497 1.00 0.00 H new ATOM 939 N PHE A 58 6.647 -12.664 7.628 1.00 0.00 N ATOM 940 CA PHE A 58 6.957 -11.240 7.680 1.00 0.00 C ATOM 941 C PHE A 58 6.164 -10.549 8.787 1.00 0.00 C ATOM 942 O PHE A 58 5.199 -11.107 9.311 1.00 0.00 O ATOM 943 CB PHE A 58 6.653 -10.584 6.332 1.00 0.00 C ATOM 944 CG PHE A 58 7.762 -10.731 5.329 1.00 0.00 C ATOM 945 CD1 PHE A 58 8.927 -9.992 5.452 1.00 0.00 C ATOM 946 CD2 PHE A 58 7.638 -11.608 4.264 1.00 0.00 C ATOM 947 CE1 PHE A 58 9.948 -10.124 4.531 1.00 0.00 C ATOM 948 CE2 PHE A 58 8.656 -11.745 3.339 1.00 0.00 C ATOM 949 CZ PHE A 58 9.813 -11.003 3.473 1.00 0.00 C ATOM 0 H PHE A 58 5.758 -12.886 7.180 1.00 0.00 H new ATOM 0 HA PHE A 58 8.019 -11.131 7.899 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.743 -11.021 5.922 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.455 -9.524 6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.038 -9.305 6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.736 -12.191 4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.851 -9.541 4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.547 -12.432 2.512 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.611 -11.109 2.753 1.00 0.00 H new ATOM 959 N PRO A 59 6.562 -9.321 9.160 1.00 0.00 N ATOM 960 CA PRO A 59 5.883 -8.556 10.211 1.00 0.00 C ATOM 961 C PRO A 59 4.385 -8.421 9.960 1.00 0.00 C ATOM 962 O PRO A 59 3.608 -8.212 10.892 1.00 0.00 O ATOM 963 CB PRO A 59 6.560 -7.184 10.151 1.00 0.00 C ATOM 964 CG PRO A 59 7.898 -7.447 9.554 1.00 0.00 C ATOM 965 CD PRO A 59 7.702 -8.583 8.588 1.00 0.00 C ATOM 0 HA PRO A 59 5.964 -9.044 11.182 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.986 -6.486 9.543 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.649 -6.743 11.144 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.279 -6.562 9.044 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.624 -7.709 10.323 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.484 -8.223 7.582 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.592 -9.209 8.517 1.00 0.00 H new ATOM 973 N ASN A 60 3.987 -8.531 8.690 1.00 0.00 N ATOM 974 CA ASN A 60 2.581 -8.419 8.292 1.00 0.00 C ATOM 975 C ASN A 60 2.150 -6.957 8.176 1.00 0.00 C ATOM 976 O ASN A 60 1.159 -6.646 7.516 1.00 0.00 O ATOM 977 CB ASN A 60 1.668 -9.157 9.279 1.00 0.00 C ATOM 978 CG ASN A 60 2.203 -10.527 9.651 1.00 0.00 C ATOM 979 OD1 ASN A 60 2.062 -11.486 8.893 1.00 0.00 O ATOM 980 ND2 ASN A 60 2.821 -10.625 10.822 1.00 0.00 N ATOM 0 H ASN A 60 4.626 -8.699 7.913 1.00 0.00 H new ATOM 0 HA ASN A 60 2.485 -8.885 7.311 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.554 -8.557 10.182 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.676 -9.265 8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.201 -11.522 11.124 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.915 -9.803 11.419 1.00 0.00 H new ATOM 987 N PHE A 61 2.905 -6.067 8.814 1.00 0.00 N ATOM 988 CA PHE A 61 2.614 -4.637 8.786 1.00 0.00 C ATOM 989 C PHE A 61 3.619 -3.882 9.645 1.00 0.00 C ATOM 990 O PHE A 61 3.449 -3.741 10.855 1.00 0.00 O ATOM 991 CB PHE A 61 1.179 -4.356 9.257 1.00 0.00 C ATOM 992 CG PHE A 61 0.948 -4.565 10.732 1.00 0.00 C ATOM 993 CD1 PHE A 61 1.597 -5.577 11.425 1.00 0.00 C ATOM 994 CD2 PHE A 61 0.073 -3.743 11.422 1.00 0.00 C ATOM 995 CE1 PHE A 61 1.376 -5.761 12.777 1.00 0.00 C ATOM 996 CE2 PHE A 61 -0.152 -3.923 12.774 1.00 0.00 C ATOM 997 CZ PHE A 61 0.501 -4.934 13.452 1.00 0.00 C ATOM 0 H PHE A 61 3.730 -6.314 9.361 1.00 0.00 H new ATOM 0 HA PHE A 61 2.700 -4.289 7.757 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.923 -3.327 9.005 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.496 -4.999 8.701 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.282 -6.228 10.902 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.440 -2.951 10.897 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.888 -6.552 13.305 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.837 -3.274 13.299 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.327 -5.077 14.508 1.00 0.00 H new ATOM 1007 N THR A 62 4.681 -3.408 9.011 1.00 0.00 N ATOM 1008 CA THR A 62 5.725 -2.685 9.712 1.00 0.00 C ATOM 1009 C THR A 62 6.852 -2.323 8.747 1.00 0.00 C ATOM 1010 O THR A 62 7.630 -3.176 8.320 1.00 0.00 O ATOM 1011 CB THR A 62 6.234 -3.529 10.893 1.00 0.00 C ATOM 1012 OG1 THR A 62 6.038 -2.846 12.115 1.00 0.00 O ATOM 1013 CG2 THR A 62 7.697 -3.904 10.813 1.00 0.00 C ATOM 0 H THR A 62 4.840 -3.513 8.009 1.00 0.00 H new ATOM 0 HA THR A 62 5.324 -1.754 10.111 1.00 0.00 H new ATOM 0 HB THR A 62 5.650 -4.448 10.842 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.079 -2.797 12.312 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.969 -4.498 11.686 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.874 -4.486 9.909 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.304 -2.999 10.787 1.00 0.00 H new ATOM 1021 N PHE A 63 6.921 -1.049 8.402 1.00 0.00 N ATOM 1022 CA PHE A 63 7.944 -0.557 7.488 1.00 0.00 C ATOM 1023 C PHE A 63 9.160 -0.073 8.265 1.00 0.00 C ATOM 1024 O PHE A 63 10.290 -0.148 7.783 1.00 0.00 O ATOM 1025 CB PHE A 63 7.388 0.576 6.619 1.00 0.00 C ATOM 1026 CG PHE A 63 6.575 1.582 7.383 1.00 0.00 C ATOM 1027 CD1 PHE A 63 5.232 1.355 7.641 1.00 0.00 C ATOM 1028 CD2 PHE A 63 7.152 2.756 7.837 1.00 0.00 C ATOM 1029 CE1 PHE A 63 4.482 2.280 8.342 1.00 0.00 C ATOM 1030 CE2 PHE A 63 6.406 3.687 8.535 1.00 0.00 C ATOM 1031 CZ PHE A 63 5.069 3.449 8.788 1.00 0.00 C ATOM 0 H PHE A 63 6.279 -0.332 8.741 1.00 0.00 H new ATOM 0 HA PHE A 63 8.247 -1.378 6.838 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.218 1.088 6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.770 0.147 5.830 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.767 0.446 7.290 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.197 2.946 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.438 2.090 8.541 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.868 4.599 8.882 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.484 4.175 9.333 1.00 0.00 H new ATOM 1041 N GLU A 64 8.916 0.419 9.474 1.00 0.00 N ATOM 1042 CA GLU A 64 9.985 0.912 10.332 1.00 0.00 C ATOM 1043 C GLU A 64 9.457 1.226 11.727 1.00 0.00 C ATOM 1044 O GLU A 64 9.934 2.147 12.391 1.00 0.00 O ATOM 1045 CB GLU A 64 10.628 2.156 9.718 1.00 0.00 C ATOM 1046 CG GLU A 64 11.861 1.849 8.883 1.00 0.00 C ATOM 1047 CD GLU A 64 11.739 2.349 7.456 1.00 0.00 C ATOM 1048 OE1 GLU A 64 11.232 3.474 7.262 1.00 0.00 O ATOM 1049 OE2 GLU A 64 12.152 1.615 6.533 1.00 0.00 O ATOM 0 H GLU A 64 7.984 0.487 9.883 1.00 0.00 H new ATOM 0 HA GLU A 64 10.741 0.132 10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.893 2.665 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.901 2.846 10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.734 2.304 9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.030 0.772 8.874 1.00 0.00 H new ATOM 1056 N ASP A 65 8.467 0.451 12.171 1.00 0.00 N ATOM 1057 CA ASP A 65 7.872 0.646 13.490 1.00 0.00 C ATOM 1058 C ASP A 65 8.951 0.772 14.565 1.00 0.00 C ATOM 1059 O ASP A 65 10.127 0.520 14.307 1.00 0.00 O ATOM 1060 CB ASP A 65 6.938 -0.518 13.821 1.00 0.00 C ATOM 1061 CG ASP A 65 5.476 -0.136 13.711 1.00 0.00 C ATOM 1062 OD1 ASP A 65 5.042 0.238 12.602 1.00 0.00 O ATOM 1063 OD2 ASP A 65 4.764 -0.210 14.735 1.00 0.00 O ATOM 0 H ASP A 65 8.062 -0.317 11.636 1.00 0.00 H new ATOM 0 HA ASP A 65 7.299 1.573 13.471 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.145 -1.349 13.147 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.144 -0.869 14.832 1.00 0.00 H new ATOM 1068 N PRO A 66 8.562 1.166 15.791 1.00 0.00 N ATOM 1069 CA PRO A 66 9.503 1.325 16.904 1.00 0.00 C ATOM 1070 C PRO A 66 9.984 -0.013 17.458 1.00 0.00 C ATOM 1071 O PRO A 66 11.083 -0.112 18.002 1.00 0.00 O ATOM 1072 CB PRO A 66 8.682 2.074 17.953 1.00 0.00 C ATOM 1073 CG PRO A 66 7.272 1.684 17.676 1.00 0.00 C ATOM 1074 CD PRO A 66 7.178 1.490 16.186 1.00 0.00 C ATOM 0 HA PRO A 66 10.411 1.845 16.599 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.980 1.794 18.963 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.819 3.152 17.868 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.010 0.768 18.206 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.581 2.456 18.013 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.489 0.686 15.929 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.818 2.390 15.686 1.00 0.00 H new ATOM 1082 N LYS A 67 9.153 -1.040 17.319 1.00 0.00 N ATOM 1083 CA LYS A 67 9.492 -2.372 17.808 1.00 0.00 C ATOM 1084 C LYS A 67 10.758 -2.897 17.137 1.00 0.00 C ATOM 1085 O LYS A 67 11.642 -3.442 17.798 1.00 0.00 O ATOM 1086 CB LYS A 67 8.332 -3.340 17.564 1.00 0.00 C ATOM 1087 CG LYS A 67 7.859 -3.371 16.120 1.00 0.00 C ATOM 1088 CD LYS A 67 6.351 -3.544 16.032 1.00 0.00 C ATOM 1089 CE LYS A 67 5.617 -2.384 16.687 1.00 0.00 C ATOM 1090 NZ LYS A 67 4.212 -2.275 16.208 1.00 0.00 N ATOM 0 H LYS A 67 8.239 -0.976 16.871 1.00 0.00 H new ATOM 0 HA LYS A 67 9.676 -2.299 18.880 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.639 -4.344 17.859 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.496 -3.061 18.206 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.150 -2.447 15.621 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.352 -4.188 15.592 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.053 -3.620 14.986 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.062 -4.478 16.515 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.623 -2.515 17.769 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.146 -1.454 16.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.087 -1.376 15.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.002 -3.066 15.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.565 -2.307 17.021 1.00 0.00 H new ATOM 1104 N PHE A 68 10.838 -2.730 15.820 1.00 0.00 N ATOM 1105 CA PHE A 68 11.995 -3.188 15.053 1.00 0.00 C ATOM 1106 C PHE A 68 12.059 -4.714 14.998 1.00 0.00 C ATOM 1107 O PHE A 68 13.067 -5.283 14.576 1.00 0.00 O ATOM 1108 CB PHE A 68 13.292 -2.638 15.658 1.00 0.00 C ATOM 1109 CG PHE A 68 13.206 -1.190 16.056 1.00 0.00 C ATOM 1110 CD1 PHE A 68 12.549 -0.275 15.252 1.00 0.00 C ATOM 1111 CD2 PHE A 68 13.785 -0.748 17.234 1.00 0.00 C ATOM 1112 CE1 PHE A 68 12.468 1.056 15.615 1.00 0.00 C ATOM 1113 CE2 PHE A 68 13.708 0.581 17.604 1.00 0.00 C ATOM 1114 CZ PHE A 68 13.049 1.484 16.793 1.00 0.00 C ATOM 0 H PHE A 68 10.114 -2.280 15.260 1.00 0.00 H new ATOM 0 HA PHE A 68 11.884 -2.812 14.036 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.554 -3.232 16.534 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.100 -2.760 14.936 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.094 -0.605 14.330 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.303 -1.450 17.871 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.952 1.760 14.979 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.162 0.913 18.526 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.988 2.524 17.079 1.00 0.00 H new ATOM 1124 N GLU A 69 10.983 -5.375 15.421 1.00 0.00 N ATOM 1125 CA GLU A 69 10.926 -6.835 15.414 1.00 0.00 C ATOM 1126 C GLU A 69 12.187 -7.440 16.027 1.00 0.00 C ATOM 1127 O GLU A 69 13.099 -7.853 15.310 1.00 0.00 O ATOM 1128 CB GLU A 69 10.743 -7.349 13.985 1.00 0.00 C ATOM 1129 CG GLU A 69 10.406 -8.830 13.911 1.00 0.00 C ATOM 1130 CD GLU A 69 10.548 -9.390 12.510 1.00 0.00 C ATOM 1131 OE1 GLU A 69 11.671 -9.802 12.147 1.00 0.00 O ATOM 1132 OE2 GLU A 69 9.539 -9.419 11.775 1.00 0.00 O ATOM 0 H GLU A 69 10.139 -4.923 15.773 1.00 0.00 H new ATOM 0 HA GLU A 69 10.072 -7.141 16.019 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.949 -6.779 13.501 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.657 -7.164 13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.059 -9.382 14.587 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.384 -8.984 14.258 1.00 0.00 H new ATOM 1139 N VAL A 70 12.231 -7.489 17.354 1.00 0.00 N ATOM 1140 CA VAL A 70 13.382 -8.045 18.058 1.00 0.00 C ATOM 1141 C VAL A 70 12.944 -8.941 19.213 1.00 0.00 C ATOM 1142 O VAL A 70 12.955 -10.167 19.097 1.00 0.00 O ATOM 1143 CB VAL A 70 14.316 -6.937 18.600 1.00 0.00 C ATOM 1144 CG1 VAL A 70 15.458 -6.681 17.629 1.00 0.00 C ATOM 1145 CG2 VAL A 70 13.543 -5.651 18.870 1.00 0.00 C ATOM 0 H VAL A 70 11.485 -7.152 17.963 1.00 0.00 H new ATOM 0 HA VAL A 70 13.933 -8.640 17.329 1.00 0.00 H new ATOM 0 HB VAL A 70 14.735 -7.281 19.545 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.105 -5.899 18.026 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.035 -7.596 17.496 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.054 -6.364 16.668 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.224 -4.890 19.250 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.086 -5.300 17.945 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.765 -5.843 19.609 1.00 0.00 H new ATOM 1155 N VAL A 71 12.556 -8.326 20.327 1.00 0.00 N ATOM 1156 CA VAL A 71 12.115 -9.074 21.499 1.00 0.00 C ATOM 1157 C VAL A 71 11.703 -8.130 22.627 1.00 0.00 C ATOM 1158 O VAL A 71 12.392 -8.018 23.642 1.00 0.00 O ATOM 1159 CB VAL A 71 13.219 -10.026 22.005 1.00 0.00 C ATOM 1160 CG1 VAL A 71 14.466 -9.245 22.390 1.00 0.00 C ATOM 1161 CG2 VAL A 71 12.717 -10.861 23.175 1.00 0.00 C ATOM 0 H VAL A 71 12.538 -7.313 20.442 1.00 0.00 H new ATOM 0 HA VAL A 71 11.252 -9.667 21.196 1.00 0.00 H new ATOM 0 HB VAL A 71 13.482 -10.706 21.195 1.00 0.00 H new ATOM 0 HG11 VAL A 71 15.232 -9.935 22.744 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.839 -8.703 21.521 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.222 -8.537 23.182 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.512 -11.525 23.516 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.420 -10.202 23.991 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.860 -11.454 22.857 1.00 0.00 H new ATOM 1171 N GLU A 72 10.575 -7.453 22.441 1.00 0.00 N ATOM 1172 CA GLU A 72 10.069 -6.520 23.441 1.00 0.00 C ATOM 1173 C GLU A 72 9.887 -7.209 24.790 1.00 0.00 C ATOM 1174 O GLU A 72 10.033 -8.427 24.901 1.00 0.00 O ATOM 1175 CB GLU A 72 8.740 -5.918 22.981 1.00 0.00 C ATOM 1176 CG GLU A 72 8.825 -5.209 21.638 1.00 0.00 C ATOM 1177 CD GLU A 72 7.519 -5.256 20.871 1.00 0.00 C ATOM 1178 OE1 GLU A 72 6.501 -4.762 21.401 1.00 0.00 O ATOM 1179 OE2 GLU A 72 7.513 -5.786 19.740 1.00 0.00 O ATOM 0 H GLU A 72 9.994 -7.533 21.607 1.00 0.00 H new ATOM 0 HA GLU A 72 10.802 -5.722 23.558 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.994 -6.711 22.917 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.391 -5.211 23.734 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.111 -4.169 21.798 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.611 -5.668 21.038 1.00 0.00 H new ATOM 1186 N LYS A 73 9.567 -6.423 25.813 1.00 0.00 N ATOM 1187 CA LYS A 73 9.367 -6.958 27.155 1.00 0.00 C ATOM 1188 C LYS A 73 10.646 -7.605 27.681 1.00 0.00 C ATOM 1189 O LYS A 73 11.486 -8.059 26.903 1.00 0.00 O ATOM 1190 CB LYS A 73 8.227 -7.979 27.156 1.00 0.00 C ATOM 1191 CG LYS A 73 6.994 -7.514 26.398 1.00 0.00 C ATOM 1192 CD LYS A 73 5.914 -8.583 26.383 1.00 0.00 C ATOM 1193 CE LYS A 73 4.670 -8.107 25.653 1.00 0.00 C ATOM 1194 NZ LYS A 73 3.884 -9.242 25.093 1.00 0.00 N ATOM 0 H LYS A 73 9.441 -5.414 25.738 1.00 0.00 H new ATOM 0 HA LYS A 73 9.104 -6.130 27.813 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.584 -8.910 26.716 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.948 -8.199 28.187 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.603 -6.607 26.859 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.269 -7.259 25.375 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.298 -9.483 25.902 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.655 -8.855 27.406 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.044 -7.535 26.338 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.958 -7.433 24.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.044 -8.874 24.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.472 -9.773 24.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.586 -9.872 25.865 1.00 0.00 H new ATOM 1208 N PRO A 74 10.811 -7.656 29.013 1.00 0.00 N ATOM 1209 CA PRO A 74 11.997 -8.252 29.640 1.00 0.00 C ATOM 1210 C PRO A 74 12.044 -9.766 29.465 1.00 0.00 C ATOM 1211 O PRO A 74 11.007 -10.423 29.373 1.00 0.00 O ATOM 1212 CB PRO A 74 11.840 -7.888 31.118 1.00 0.00 C ATOM 1213 CG PRO A 74 10.375 -7.699 31.309 1.00 0.00 C ATOM 1214 CD PRO A 74 9.858 -7.138 30.013 1.00 0.00 C ATOM 0 HA PRO A 74 12.922 -7.885 29.194 1.00 0.00 H new ATOM 0 HB2 PRO A 74 12.224 -8.678 31.763 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.391 -6.980 31.363 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.887 -8.644 31.547 1.00 0.00 H new ATOM 0 HG3 PRO A 74 10.174 -7.019 32.137 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.840 -7.471 29.809 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.841 -6.048 30.025 1.00 0.00 H new ATOM 1222 N GLN A 75 13.254 -10.313 29.422 1.00 0.00 N ATOM 1223 CA GLN A 75 13.437 -11.751 29.259 1.00 0.00 C ATOM 1224 C GLN A 75 14.792 -12.192 29.804 1.00 0.00 C ATOM 1225 O GLN A 75 14.878 -13.133 30.594 1.00 0.00 O ATOM 1226 CB GLN A 75 13.318 -12.137 27.783 1.00 0.00 C ATOM 1227 CG GLN A 75 11.896 -12.461 27.352 1.00 0.00 C ATOM 1228 CD GLN A 75 11.243 -11.320 26.597 1.00 0.00 C ATOM 1229 OE1 GLN A 75 11.920 -10.418 26.104 1.00 0.00 O ATOM 1230 NE2 GLN A 75 9.919 -11.355 26.503 1.00 0.00 N ATOM 0 H GLN A 75 14.122 -9.783 29.498 1.00 0.00 H new ATOM 0 HA GLN A 75 12.655 -12.258 29.825 1.00 0.00 H new ATOM 0 HB2 GLN A 75 13.697 -11.319 27.170 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.953 -13.001 27.590 1.00 0.00 H new ATOM 0 HG2 GLN A 75 11.905 -13.351 26.723 1.00 0.00 H new ATOM 0 HG3 GLN A 75 11.298 -12.699 28.232 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.398 -12.122 26.927 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.423 -10.615 26.007 1.00 0.00 H new ATOM 1239 N SER A 76 15.848 -11.507 29.378 1.00 0.00 N ATOM 1240 CA SER A 76 17.198 -11.829 29.823 1.00 0.00 C ATOM 1241 C SER A 76 17.432 -11.338 31.248 1.00 0.00 C ATOM 1242 O SER A 76 16.437 -11.149 31.979 1.00 0.00 O ATOM 1243 CB SER A 76 18.231 -11.207 28.881 1.00 0.00 C ATOM 1244 OG SER A 76 18.370 -9.818 29.122 1.00 0.00 O ATOM 1245 OXT SER A 76 18.609 -11.147 31.621 1.00 0.00 O ATOM 0 H SER A 76 15.794 -10.725 28.725 1.00 0.00 H new ATOM 0 HA SER A 76 17.310 -12.913 29.808 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.194 -11.701 29.015 1.00 0.00 H new ATOM 0 HB3 SER A 76 17.930 -11.371 27.846 1.00 0.00 H new ATOM 0 HG SER A 76 19.037 -9.445 28.509 1.00 0.00 H new TER 1251 SER A 76