USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 839 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 40 LYS NZ :NH3+ 175:sc= 0.845 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.622 K(o=1.5,f=-2.8) USER MOD Single : A 1 GLU N :NH3+ 145:sc= 0.0413 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.764 K(o=-0.76,f=-0.18) USER MOD Single : A 11 SER OG : rot 180:sc= 0.166 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 53:sc= 0.742 USER MOD Single : A 21 SER OG : rot 180:sc=-0.00387 USER MOD Single : A 24 SER OG : rot -139:sc= 0.0243 USER MOD Single : A 26 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.098) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.29) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.635 K(o=-0.64,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -48:sc= 0.415 USER MOD Single : A 60 GLN : amide:sc= 0.613 K(o=0.61,f=-1.2) USER MOD Single : A 63 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.3) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.0341 (180deg=-0.352) USER MOD Single : A 66 THR OG1 : rot 117:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.187) USER MOD Single : A 71 ASN : amide:sc= -0.828 X(o=-0.83,f=-0.41) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-1.7) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -161:sc= -1.06 (180deg=-1.51) USER MOD Single : A 91 THR OG1 : rot -79:sc= -0.46 USER MOD Single : A 93 GLN : amide:sc= -0.471 K(o=-0.47,f=-8.5!) USER MOD Single : A 95 SER OG : rot -13:sc= 1.14 USER MOD Single : A 96 SER OG : rot -121:sc= -0.358 USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= -3.28! (180deg=-3.41!) USER MOD Single : A 104 HIS : no HE2:sc= 0.997 K(o=1,f=-4.4!) USER MOD Single : A 106 ASN : amide:sc= -0.145 K(o=-0.14,f=-2.5!) USER MOD Single : A 108 SER OG : rot -50:sc= -0.0545 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.199 25.410 -13.474 1.00 0.00 N ATOM 2 CA GLU A 1 -15.539 24.241 -14.333 1.00 0.00 C ATOM 3 C GLU A 1 -15.182 24.563 -15.780 1.00 0.00 C ATOM 4 O GLU A 1 -15.189 25.723 -16.193 1.00 0.00 O ATOM 5 CB GLU A 1 -17.029 23.901 -14.249 1.00 0.00 C ATOM 6 CG GLU A 1 -17.222 22.394 -14.429 1.00 0.00 C ATOM 7 CD GLU A 1 -18.632 22.119 -14.938 1.00 0.00 C ATOM 8 OE1 GLU A 1 -19.539 22.825 -14.526 1.00 0.00 O ATOM 9 OE2 GLU A 1 -18.787 21.207 -15.734 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.898 25.493 -12.709 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.252 25.277 -13.065 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.209 26.277 -14.048 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.971 23.381 -13.980 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -17.431 24.217 -13.286 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -17.580 24.443 -15.018 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.487 22.004 -15.133 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -17.059 21.880 -13.482 1.00 0.00 H new ATOM 18 N THR A 2 -14.871 23.522 -16.547 1.00 0.00 N ATOM 19 CA THR A 2 -14.513 23.701 -17.952 1.00 0.00 C ATOM 20 C THR A 2 -15.761 23.645 -18.834 1.00 0.00 C ATOM 21 O THR A 2 -16.717 22.935 -18.521 1.00 0.00 O ATOM 22 CB THR A 2 -13.536 22.612 -18.400 1.00 0.00 C ATOM 23 OG1 THR A 2 -13.969 21.355 -17.899 1.00 0.00 O ATOM 24 CG2 THR A 2 -12.138 22.924 -17.862 1.00 0.00 C ATOM 0 H THR A 2 -14.859 22.554 -16.224 1.00 0.00 H new ATOM 0 HA THR A 2 -14.039 24.677 -18.055 1.00 0.00 H new ATOM 0 HB THR A 2 -13.504 22.578 -19.489 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.345 20.656 -18.186 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.443 22.147 -18.182 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.807 23.888 -18.247 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.167 22.959 -16.773 1.00 0.00 H new ATOM 32 N PRO A 3 -15.769 24.391 -19.947 1.00 0.00 N ATOM 33 CA PRO A 3 -16.915 24.414 -20.869 1.00 0.00 C ATOM 34 C PRO A 3 -17.038 23.123 -21.675 1.00 0.00 C ATOM 35 O PRO A 3 -18.140 22.658 -21.965 1.00 0.00 O ATOM 36 CB PRO A 3 -16.621 25.593 -21.794 1.00 0.00 C ATOM 37 CG PRO A 3 -15.140 25.752 -21.761 1.00 0.00 C ATOM 38 CD PRO A 3 -14.681 25.272 -20.413 1.00 0.00 C ATOM 0 HA PRO A 3 -17.859 24.508 -20.332 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.974 25.397 -22.807 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -17.122 26.498 -21.451 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.671 25.174 -22.557 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.860 26.794 -21.916 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.736 24.733 -20.484 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.523 26.105 -19.728 1.00 0.00 H new ATOM 46 N ARG A 4 -15.891 22.551 -22.032 1.00 0.00 N ATOM 47 CA ARG A 4 -15.877 21.313 -22.806 1.00 0.00 C ATOM 48 C ARG A 4 -16.540 20.186 -22.021 1.00 0.00 C ATOM 49 O ARG A 4 -16.694 20.265 -20.802 1.00 0.00 O ATOM 50 CB ARG A 4 -14.440 20.907 -23.141 1.00 0.00 C ATOM 51 CG ARG A 4 -13.823 21.945 -24.081 1.00 0.00 C ATOM 52 CD ARG A 4 -14.111 21.555 -25.532 1.00 0.00 C ATOM 53 NE ARG A 4 -14.000 22.717 -26.410 1.00 0.00 N ATOM 54 CZ ARG A 4 -14.883 22.927 -27.383 1.00 0.00 C ATOM 55 NH1 ARG A 4 -15.332 21.922 -28.084 1.00 0.00 N ATOM 56 NH2 ARG A 4 -15.300 24.138 -27.636 1.00 0.00 N ATOM 0 H ARG A 4 -14.969 22.920 -21.801 1.00 0.00 H new ATOM 0 HA ARG A 4 -16.430 21.488 -23.729 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -13.850 20.831 -22.228 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -14.429 19.923 -23.610 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -14.234 22.932 -23.870 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.747 22.006 -23.916 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -13.411 20.783 -25.852 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -15.112 21.130 -25.608 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.234 23.377 -26.275 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.006 20.976 -27.886 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.009 22.082 -28.830 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.949 24.923 -27.088 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.977 24.299 -28.382 1.00 0.00 H new ATOM 70 N GLU A 5 -16.934 19.135 -22.735 1.00 0.00 N ATOM 71 CA GLU A 5 -17.584 17.993 -22.099 1.00 0.00 C ATOM 72 C GLU A 5 -16.618 16.817 -21.998 1.00 0.00 C ATOM 73 O GLU A 5 -16.327 16.146 -22.988 1.00 0.00 O ATOM 74 CB GLU A 5 -18.813 17.560 -22.902 1.00 0.00 C ATOM 75 CG GLU A 5 -19.599 16.515 -22.109 1.00 0.00 C ATOM 76 CD GLU A 5 -20.692 17.205 -21.299 1.00 0.00 C ATOM 77 OE1 GLU A 5 -20.379 18.164 -20.614 1.00 0.00 O ATOM 78 OE2 GLU A 5 -21.827 16.764 -21.377 1.00 0.00 O ATOM 0 H GLU A 5 -16.816 19.050 -23.745 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.892 18.297 -21.099 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.445 18.423 -23.113 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.506 17.147 -23.863 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.041 15.785 -22.787 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.930 15.968 -21.445 1.00 0.00 H new ATOM 85 N LYS A 6 -16.122 16.575 -20.787 1.00 0.00 N ATOM 86 CA LYS A 6 -15.188 15.477 -20.561 1.00 0.00 C ATOM 87 C LYS A 6 -15.595 14.679 -19.325 1.00 0.00 C ATOM 88 O LYS A 6 -15.310 15.070 -18.194 1.00 0.00 O ATOM 89 CB LYS A 6 -13.767 16.013 -20.363 1.00 0.00 C ATOM 90 CG LYS A 6 -12.758 15.016 -20.937 1.00 0.00 C ATOM 91 CD LYS A 6 -12.480 15.358 -22.402 1.00 0.00 C ATOM 92 CE LYS A 6 -11.409 16.447 -22.477 1.00 0.00 C ATOM 93 NZ LYS A 6 -10.689 16.414 -23.783 1.00 0.00 N ATOM 0 H LYS A 6 -16.349 17.119 -19.955 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.212 14.829 -21.437 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.660 16.979 -20.856 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.572 16.173 -19.303 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.832 15.048 -20.363 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.148 14.001 -20.857 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.148 14.469 -22.937 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.395 15.699 -22.887 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.872 17.424 -22.340 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.696 16.315 -21.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.970 17.165 -23.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.228 15.489 -23.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.367 16.565 -24.557 1.00 0.00 H new ATOM 107 N LEU A 7 -16.267 13.555 -19.557 1.00 0.00 N ATOM 108 CA LEU A 7 -16.714 12.706 -18.456 1.00 0.00 C ATOM 109 C LEU A 7 -15.527 11.991 -17.817 1.00 0.00 C ATOM 110 O LEU A 7 -15.056 10.969 -18.317 1.00 0.00 O ATOM 111 CB LEU A 7 -17.713 11.662 -18.958 1.00 0.00 C ATOM 112 CG LEU A 7 -19.070 12.215 -19.401 1.00 0.00 C ATOM 113 CD1 LEU A 7 -18.968 12.732 -20.836 1.00 0.00 C ATOM 114 CD2 LEU A 7 -20.119 11.103 -19.334 1.00 0.00 C ATOM 0 H LEU A 7 -16.512 13.213 -20.486 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.196 13.343 -17.714 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.265 11.129 -19.796 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.878 10.931 -18.167 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.362 13.032 -18.741 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.935 13.125 -21.151 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -18.220 13.524 -20.885 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.676 11.916 -21.497 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -21.086 11.495 -19.649 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.826 10.286 -19.994 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -20.193 10.734 -18.311 1.00 0.00 H new ATOM 126 N LYS A 8 -15.050 12.542 -16.704 1.00 0.00 N ATOM 127 CA LYS A 8 -13.915 11.950 -15.998 1.00 0.00 C ATOM 128 C LYS A 8 -14.392 10.881 -15.016 1.00 0.00 C ATOM 129 O LYS A 8 -15.582 10.577 -14.937 1.00 0.00 O ATOM 130 CB LYS A 8 -13.134 13.027 -15.232 1.00 0.00 C ATOM 131 CG LYS A 8 -14.059 13.741 -14.233 1.00 0.00 C ATOM 132 CD LYS A 8 -13.933 15.258 -14.401 1.00 0.00 C ATOM 133 CE LYS A 8 -12.850 15.788 -13.459 1.00 0.00 C ATOM 134 NZ LYS A 8 -13.103 17.209 -13.084 1.00 0.00 N ATOM 0 H LYS A 8 -15.426 13.388 -16.275 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.262 11.492 -16.740 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.296 12.573 -14.703 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.715 13.750 -15.932 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.092 13.433 -14.395 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.798 13.456 -13.214 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.682 15.501 -15.434 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.887 15.739 -14.183 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.815 15.173 -12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.875 15.705 -13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.351 17.539 -12.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.112 17.798 -13.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.023 17.283 -12.604 1.00 0.00 H new ATOM 148 N GLN A 9 -13.447 10.318 -14.268 1.00 0.00 N ATOM 149 CA GLN A 9 -13.776 9.283 -13.292 1.00 0.00 C ATOM 150 C GLN A 9 -13.483 9.774 -11.877 1.00 0.00 C ATOM 151 O GLN A 9 -13.016 10.895 -11.678 1.00 0.00 O ATOM 152 CB GLN A 9 -12.961 8.016 -13.559 1.00 0.00 C ATOM 153 CG GLN A 9 -13.738 7.098 -14.504 1.00 0.00 C ATOM 154 CD GLN A 9 -12.808 6.016 -15.043 1.00 0.00 C ATOM 155 OE1 GLN A 9 -12.946 4.842 -14.699 1.00 0.00 O ATOM 156 NE2 GLN A 9 -11.858 6.346 -15.875 1.00 0.00 N ATOM 0 H GLN A 9 -12.457 10.558 -14.318 1.00 0.00 H new ATOM 0 HA GLN A 9 -14.838 9.057 -13.386 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.998 8.276 -13.998 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.755 7.500 -12.622 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -14.576 6.642 -13.977 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -14.156 7.677 -15.328 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -11.744 7.319 -16.159 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.229 5.631 -16.241 1.00 0.00 H new ATOM 165 N HIS A 10 -13.764 8.921 -10.897 1.00 0.00 N ATOM 166 CA HIS A 10 -13.526 9.274 -9.500 1.00 0.00 C ATOM 167 C HIS A 10 -12.967 8.079 -8.734 1.00 0.00 C ATOM 168 O HIS A 10 -12.921 6.961 -9.247 1.00 0.00 O ATOM 169 CB HIS A 10 -14.827 9.727 -8.833 1.00 0.00 C ATOM 170 CG HIS A 10 -15.251 11.051 -9.406 1.00 0.00 C ATOM 171 ND1 HIS A 10 -15.043 12.247 -8.736 1.00 0.00 N ATOM 172 CD2 HIS A 10 -15.872 11.384 -10.584 1.00 0.00 C ATOM 173 CE1 HIS A 10 -15.531 13.234 -9.510 1.00 0.00 C ATOM 174 NE2 HIS A 10 -16.049 12.763 -10.647 1.00 0.00 N ATOM 0 H HIS A 10 -14.153 7.989 -11.041 1.00 0.00 H new ATOM 0 HA HIS A 10 -12.803 10.089 -9.479 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -15.608 8.983 -8.992 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -14.685 9.814 -7.756 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -16.177 10.682 -11.346 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -15.507 14.280 -9.244 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -16.481 13.299 -11.400 1.00 0.00 H new ATOM 182 N SER A 11 -12.542 8.330 -7.499 1.00 0.00 N ATOM 183 CA SER A 11 -11.986 7.268 -6.664 1.00 0.00 C ATOM 184 C SER A 11 -13.029 6.772 -5.665 1.00 0.00 C ATOM 185 O SER A 11 -12.698 6.361 -4.553 1.00 0.00 O ATOM 186 CB SER A 11 -10.766 7.777 -5.896 1.00 0.00 C ATOM 187 OG SER A 11 -9.959 8.562 -6.764 1.00 0.00 O ATOM 0 H SER A 11 -12.571 9.249 -7.057 1.00 0.00 H new ATOM 0 HA SER A 11 -11.689 6.447 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.083 8.371 -5.039 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.191 6.937 -5.506 1.00 0.00 H new ATOM 0 HG SER A 11 -9.177 8.891 -6.274 1.00 0.00 H new ATOM 193 N ASP A 12 -14.297 6.816 -6.075 1.00 0.00 N ATOM 194 CA ASP A 12 -15.390 6.370 -5.209 1.00 0.00 C ATOM 195 C ASP A 12 -15.183 4.918 -4.781 1.00 0.00 C ATOM 196 O ASP A 12 -15.374 4.566 -3.616 1.00 0.00 O ATOM 197 CB ASP A 12 -16.732 6.489 -5.935 1.00 0.00 C ATOM 198 CG ASP A 12 -16.657 5.757 -7.271 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.257 6.379 -8.241 1.00 0.00 O ATOM 200 OD2 ASP A 12 -17.002 4.588 -7.304 1.00 0.00 O ATOM 0 H ASP A 12 -14.591 7.152 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.396 7.009 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.528 6.066 -5.321 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.978 7.539 -6.097 1.00 0.00 H new ATOM 205 N ALA A 13 -14.786 4.083 -5.736 1.00 0.00 N ATOM 206 CA ALA A 13 -14.550 2.670 -5.450 1.00 0.00 C ATOM 207 C ALA A 13 -13.307 2.495 -4.577 1.00 0.00 C ATOM 208 O ALA A 13 -13.180 1.512 -3.849 1.00 0.00 O ATOM 209 CB ALA A 13 -14.358 1.888 -6.750 1.00 0.00 C ATOM 0 H ALA A 13 -14.622 4.355 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.421 2.287 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.183 0.837 -6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.253 1.981 -7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.501 2.288 -7.292 1.00 0.00 H new ATOM 215 N CYS A 14 -12.390 3.458 -4.661 1.00 0.00 N ATOM 216 CA CYS A 14 -11.159 3.395 -3.875 1.00 0.00 C ATOM 217 C CYS A 14 -11.433 3.749 -2.413 1.00 0.00 C ATOM 218 O CYS A 14 -10.712 3.322 -1.513 1.00 0.00 O ATOM 219 CB CYS A 14 -10.110 4.366 -4.429 1.00 0.00 C ATOM 220 SG CYS A 14 -9.899 4.105 -6.212 1.00 0.00 S ATOM 0 H CYS A 14 -12.474 4.281 -5.257 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.780 2.375 -3.939 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.418 5.394 -4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.159 4.218 -3.917 1.00 0.00 H new ATOM 225 N LYS A 15 -12.482 4.540 -2.186 1.00 0.00 N ATOM 226 CA LYS A 15 -12.837 4.947 -0.827 1.00 0.00 C ATOM 227 C LYS A 15 -13.542 3.813 -0.079 1.00 0.00 C ATOM 228 O LYS A 15 -13.585 3.802 1.152 1.00 0.00 O ATOM 229 CB LYS A 15 -13.759 6.166 -0.860 1.00 0.00 C ATOM 230 CG LYS A 15 -12.926 7.432 -1.073 1.00 0.00 C ATOM 231 CD LYS A 15 -13.758 8.469 -1.830 1.00 0.00 C ATOM 232 CE LYS A 15 -13.124 9.850 -1.665 1.00 0.00 C ATOM 233 NZ LYS A 15 -13.759 10.852 -2.568 1.00 0.00 N ATOM 0 H LYS A 15 -13.093 4.907 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.912 5.197 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.490 6.060 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.317 6.238 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.608 7.837 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.022 7.195 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.813 8.206 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.780 8.478 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.224 10.176 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.057 9.790 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.306 11.778 -2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.642 10.552 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.772 10.926 -2.346 1.00 0.00 H new ATOM 247 N ALA A 16 -14.100 2.859 -0.828 1.00 0.00 N ATOM 248 CA ALA A 16 -14.802 1.731 -0.214 1.00 0.00 C ATOM 249 C ALA A 16 -13.893 0.969 0.752 1.00 0.00 C ATOM 250 O ALA A 16 -14.368 0.294 1.665 1.00 0.00 O ATOM 251 CB ALA A 16 -15.301 0.766 -1.290 1.00 0.00 C ATOM 0 H ALA A 16 -14.080 2.844 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.647 2.136 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.821 -0.068 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.985 1.289 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.453 0.388 -1.861 1.00 0.00 H new ATOM 257 N GLU A 17 -12.581 1.080 0.544 1.00 0.00 N ATOM 258 CA GLU A 17 -11.626 0.391 1.409 1.00 0.00 C ATOM 259 C GLU A 17 -10.266 1.079 1.358 1.00 0.00 C ATOM 260 O GLU A 17 -9.673 1.394 2.390 1.00 0.00 O ATOM 261 CB GLU A 17 -11.459 -1.066 0.968 1.00 0.00 C ATOM 262 CG GLU A 17 -10.613 -1.820 1.998 1.00 0.00 C ATOM 263 CD GLU A 17 -10.550 -3.296 1.622 1.00 0.00 C ATOM 264 OE1 GLU A 17 -11.560 -3.966 1.759 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.492 -3.735 1.201 1.00 0.00 O ATOM 0 H GLU A 17 -12.161 1.632 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.013 0.423 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.435 -1.540 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.981 -1.108 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.608 -1.400 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.044 -1.705 2.993 1.00 0.00 H new ATOM 272 N SER A 18 -9.777 1.306 0.143 1.00 0.00 N ATOM 273 CA SER A 18 -8.481 1.954 -0.035 1.00 0.00 C ATOM 274 C SER A 18 -8.593 3.452 0.246 1.00 0.00 C ATOM 275 O SER A 18 -8.456 4.286 -0.650 1.00 0.00 O ATOM 276 CB SER A 18 -7.950 1.730 -1.459 1.00 0.00 C ATOM 277 OG SER A 18 -9.009 1.295 -2.303 1.00 0.00 O ATOM 0 H SER A 18 -10.252 1.055 -0.724 1.00 0.00 H new ATOM 0 HA SER A 18 -7.781 1.509 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.519 2.653 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.153 0.987 -1.447 1.00 0.00 H new ATOM 0 HG SER A 18 -9.762 1.919 -2.231 1.00 0.00 H new ATOM 283 N GLY A 19 -8.841 3.781 1.509 1.00 0.00 N ATOM 284 CA GLY A 19 -8.963 5.177 1.910 1.00 0.00 C ATOM 285 C GLY A 19 -7.651 5.694 2.498 1.00 0.00 C ATOM 286 O GLY A 19 -7.640 6.635 3.292 1.00 0.00 O ATOM 0 H GLY A 19 -8.960 3.108 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.244 5.783 1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.761 5.279 2.646 1.00 0.00 H new ATOM 290 N VAL A 20 -6.541 5.067 2.101 1.00 0.00 N ATOM 291 CA VAL A 20 -5.226 5.471 2.596 1.00 0.00 C ATOM 292 C VAL A 20 -4.957 6.943 2.272 1.00 0.00 C ATOM 293 O VAL A 20 -4.963 7.351 1.110 1.00 0.00 O ATOM 294 CB VAL A 20 -4.131 4.586 1.974 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.105 4.769 0.452 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.764 4.963 2.556 1.00 0.00 C ATOM 0 H VAL A 20 -6.527 4.286 1.445 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.212 5.346 3.679 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.350 3.544 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.327 4.138 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.072 4.487 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.898 5.813 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.993 4.333 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.550 6.009 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.775 4.816 3.636 1.00 0.00 H new ATOM 306 N SER A 21 -4.719 7.731 3.317 1.00 0.00 N ATOM 307 CA SER A 21 -4.446 9.154 3.137 1.00 0.00 C ATOM 308 C SER A 21 -3.027 9.357 2.617 1.00 0.00 C ATOM 309 O SER A 21 -2.347 8.401 2.243 1.00 0.00 O ATOM 310 CB SER A 21 -4.607 9.900 4.463 1.00 0.00 C ATOM 311 OG SER A 21 -3.515 9.581 5.316 1.00 0.00 O ATOM 0 H SER A 21 -4.709 7.414 4.286 1.00 0.00 H new ATOM 0 HA SER A 21 -5.158 9.549 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.644 10.975 4.287 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.548 9.622 4.938 1.00 0.00 H new ATOM 0 HG SER A 21 -3.614 10.058 6.166 1.00 0.00 H new ATOM 317 N GLU A 22 -2.584 10.611 2.600 1.00 0.00 N ATOM 318 CA GLU A 22 -1.240 10.927 2.125 1.00 0.00 C ATOM 319 C GLU A 22 -0.251 10.924 3.291 1.00 0.00 C ATOM 320 O GLU A 22 0.496 11.880 3.503 1.00 0.00 O ATOM 321 CB GLU A 22 -1.223 12.300 1.445 1.00 0.00 C ATOM 322 CG GLU A 22 -2.111 12.264 0.200 1.00 0.00 C ATOM 323 CD GLU A 22 -3.513 12.745 0.559 1.00 0.00 C ATOM 324 OE1 GLU A 22 -3.724 13.946 0.559 1.00 0.00 O ATOM 325 OE2 GLU A 22 -4.354 11.904 0.830 1.00 0.00 O ATOM 0 H GLU A 22 -3.129 11.417 2.906 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.945 10.166 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.578 13.064 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.203 12.569 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.687 12.896 -0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.154 11.251 -0.199 1.00 0.00 H new ATOM 332 N GLU A 23 -0.258 9.831 4.049 1.00 0.00 N ATOM 333 CA GLU A 23 0.638 9.702 5.194 1.00 0.00 C ATOM 334 C GLU A 23 1.710 8.653 4.913 1.00 0.00 C ATOM 335 O GLU A 23 2.904 8.955 4.898 1.00 0.00 O ATOM 336 CB GLU A 23 -0.146 9.295 6.443 1.00 0.00 C ATOM 337 CG GLU A 23 0.498 9.924 7.681 1.00 0.00 C ATOM 338 CD GLU A 23 -0.582 10.267 8.700 1.00 0.00 C ATOM 339 OE1 GLU A 23 -1.315 9.371 9.081 1.00 0.00 O ATOM 340 OE2 GLU A 23 -0.662 11.423 9.084 1.00 0.00 O ATOM 0 H GLU A 23 -0.868 9.029 3.893 1.00 0.00 H new ATOM 0 HA GLU A 23 1.112 10.669 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.183 9.619 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.159 8.209 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.219 9.234 8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.047 10.823 7.401 1.00 0.00 H new ATOM 347 N SER A 24 1.270 7.418 4.688 1.00 0.00 N ATOM 348 CA SER A 24 2.202 6.332 4.403 1.00 0.00 C ATOM 349 C SER A 24 2.810 6.511 3.018 1.00 0.00 C ATOM 350 O SER A 24 3.981 6.206 2.793 1.00 0.00 O ATOM 351 CB SER A 24 1.486 4.982 4.463 1.00 0.00 C ATOM 352 OG SER A 24 0.720 4.910 5.658 1.00 0.00 O ATOM 0 H SER A 24 0.287 7.147 4.697 1.00 0.00 H new ATOM 0 HA SER A 24 2.991 6.355 5.155 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.839 4.862 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.213 4.170 4.434 1.00 0.00 H new ATOM 0 HG SER A 24 0.806 4.015 6.048 1.00 0.00 H new ATOM 358 N LEU A 25 1.997 7.012 2.092 1.00 0.00 N ATOM 359 CA LEU A 25 2.453 7.234 0.722 1.00 0.00 C ATOM 360 C LEU A 25 3.618 8.221 0.697 1.00 0.00 C ATOM 361 O LEU A 25 4.545 8.088 -0.102 1.00 0.00 O ATOM 362 CB LEU A 25 1.313 7.786 -0.135 1.00 0.00 C ATOM 363 CG LEU A 25 0.360 6.737 -0.713 1.00 0.00 C ATOM 364 CD1 LEU A 25 -0.738 7.433 -1.518 1.00 0.00 C ATOM 365 CD2 LEU A 25 1.139 5.791 -1.629 1.00 0.00 C ATOM 0 H LEU A 25 1.025 7.271 2.263 1.00 0.00 H new ATOM 0 HA LEU A 25 2.783 6.277 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.734 8.486 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.743 8.355 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.090 6.169 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.417 6.686 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.293 8.108 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.288 8.002 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.461 5.043 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.589 6.361 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.923 5.294 -1.057 1.00 0.00 H new ATOM 377 N ASN A 26 3.559 9.211 1.582 1.00 0.00 N ATOM 378 CA ASN A 26 4.613 10.219 1.655 1.00 0.00 C ATOM 379 C ASN A 26 5.916 9.594 2.146 1.00 0.00 C ATOM 380 O ASN A 26 6.997 9.903 1.645 1.00 0.00 O ATOM 381 CB ASN A 26 4.211 11.346 2.608 1.00 0.00 C ATOM 382 CG ASN A 26 3.454 12.420 1.836 1.00 0.00 C ATOM 383 OD1 ASN A 26 3.974 13.512 1.604 1.00 0.00 O ATOM 384 ND2 ASN A 26 2.243 12.174 1.417 1.00 0.00 N ATOM 0 H ASN A 26 2.801 9.337 2.253 1.00 0.00 H new ATOM 0 HA ASN A 26 4.759 10.625 0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.587 10.953 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.098 11.775 3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.728 12.886 0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.811 11.270 1.608 1.00 0.00 H new ATOM 391 N LYS A 27 5.798 8.712 3.134 1.00 0.00 N ATOM 392 CA LYS A 27 6.973 8.046 3.693 1.00 0.00 C ATOM 393 C LYS A 27 7.683 7.220 2.623 1.00 0.00 C ATOM 394 O LYS A 27 8.901 7.046 2.663 1.00 0.00 O ATOM 395 CB LYS A 27 6.568 7.126 4.845 1.00 0.00 C ATOM 396 CG LYS A 27 6.069 7.969 6.020 1.00 0.00 C ATOM 397 CD LYS A 27 5.270 7.086 6.980 1.00 0.00 C ATOM 398 CE LYS A 27 5.283 7.709 8.377 1.00 0.00 C ATOM 399 NZ LYS A 27 4.999 6.692 9.429 1.00 0.00 N ATOM 0 H LYS A 27 4.912 8.443 3.561 1.00 0.00 H new ATOM 0 HA LYS A 27 7.650 8.816 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.787 6.439 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.418 6.518 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.913 8.420 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.445 8.786 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.244 6.981 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.699 6.085 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.255 8.166 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.540 8.505 8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.015 7.146 10.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.061 6.274 9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.722 5.945 9.394 1.00 0.00 H new ATOM 413 N VAL A 28 6.909 6.711 1.668 1.00 0.00 N ATOM 414 CA VAL A 28 7.477 5.902 0.592 1.00 0.00 C ATOM 415 C VAL A 28 8.478 6.720 -0.224 1.00 0.00 C ATOM 416 O VAL A 28 9.414 6.172 -0.806 1.00 0.00 O ATOM 417 CB VAL A 28 6.369 5.385 -0.333 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.967 4.442 -1.382 1.00 0.00 C ATOM 419 CG2 VAL A 28 5.328 4.624 0.494 1.00 0.00 C ATOM 0 H VAL A 28 5.899 6.842 1.616 1.00 0.00 H new ATOM 0 HA VAL A 28 7.992 5.054 1.044 1.00 0.00 H new ATOM 0 HB VAL A 28 5.896 6.230 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.176 4.077 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.709 4.979 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.443 3.598 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.540 4.256 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.806 3.782 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.897 5.292 1.240 1.00 0.00 H new ATOM 429 N ARG A 29 8.275 8.038 -0.259 1.00 0.00 N ATOM 430 CA ARG A 29 9.172 8.922 -1.008 1.00 0.00 C ATOM 431 C ARG A 29 10.617 8.745 -0.541 1.00 0.00 C ATOM 432 O ARG A 29 11.559 8.901 -1.319 1.00 0.00 O ATOM 433 CB ARG A 29 8.763 10.384 -0.818 1.00 0.00 C ATOM 434 CG ARG A 29 7.461 10.654 -1.576 1.00 0.00 C ATOM 435 CD ARG A 29 7.731 10.634 -3.082 1.00 0.00 C ATOM 436 NE ARG A 29 6.873 11.593 -3.774 1.00 0.00 N ATOM 437 CZ ARG A 29 5.589 11.327 -4.001 1.00 0.00 C ATOM 438 NH1 ARG A 29 4.764 11.185 -3.000 1.00 0.00 N ATOM 439 NH2 ARG A 29 5.154 11.211 -5.226 1.00 0.00 N ATOM 0 H ARG A 29 7.508 8.513 0.216 1.00 0.00 H new ATOM 0 HA ARG A 29 9.098 8.657 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.630 10.601 0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.551 11.043 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.716 9.901 -1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.051 11.620 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.778 10.872 -3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.556 9.632 -3.475 1.00 0.00 H new ATOM 0 HE ARG A 29 7.265 12.481 -4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.103 11.278 -2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.780 10.981 -3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.798 11.324 -6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.170 11.007 -5.401 1.00 0.00 H new ATOM 453 N ASN A 30 10.777 8.411 0.736 1.00 0.00 N ATOM 454 CA ASN A 30 12.107 8.207 1.302 1.00 0.00 C ATOM 455 C ASN A 30 12.312 6.734 1.643 1.00 0.00 C ATOM 456 O ASN A 30 11.381 5.931 1.576 1.00 0.00 O ATOM 457 CB ASN A 30 12.283 9.043 2.571 1.00 0.00 C ATOM 458 CG ASN A 30 13.746 9.447 2.713 1.00 0.00 C ATOM 459 OD1 ASN A 30 14.436 8.995 3.627 1.00 0.00 O ATOM 460 ND2 ASN A 30 14.266 10.282 1.856 1.00 0.00 N ATOM 0 H ASN A 30 10.009 8.277 1.394 1.00 0.00 H new ATOM 0 HA ASN A 30 12.844 8.518 0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.652 9.931 2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.966 8.471 3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.244 10.560 1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.695 10.657 1.098 1.00 0.00 H new ATOM 467 N ARG A 31 13.542 6.388 2.011 1.00 0.00 N ATOM 468 CA ARG A 31 13.858 5.006 2.361 1.00 0.00 C ATOM 469 C ARG A 31 13.315 4.674 3.752 1.00 0.00 C ATOM 470 O ARG A 31 14.071 4.423 4.693 1.00 0.00 O ATOM 471 CB ARG A 31 15.373 4.778 2.336 1.00 0.00 C ATOM 472 CG ARG A 31 15.935 5.220 0.983 1.00 0.00 C ATOM 473 CD ARG A 31 15.677 4.131 -0.060 1.00 0.00 C ATOM 474 NE ARG A 31 14.443 4.403 -0.794 1.00 0.00 N ATOM 475 CZ ARG A 31 14.444 5.190 -1.865 1.00 0.00 C ATOM 476 NH1 ARG A 31 15.307 4.988 -2.823 1.00 0.00 N ATOM 477 NH2 ARG A 31 13.582 6.166 -1.959 1.00 0.00 N ATOM 0 H ARG A 31 14.328 7.036 2.074 1.00 0.00 H new ATOM 0 HA ARG A 31 13.388 4.353 1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.849 5.339 3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.596 3.725 2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.468 6.154 0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 31 17.005 5.411 1.067 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.516 4.079 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.608 3.160 0.430 1.00 0.00 H new ATOM 0 HE ARG A 31 13.568 3.983 -0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.981 4.226 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.307 5.592 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.908 6.325 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.583 6.770 -2.781 1.00 0.00 H new ATOM 491 N GLU A 32 11.990 4.679 3.870 1.00 0.00 N ATOM 492 CA GLU A 32 11.346 4.380 5.146 1.00 0.00 C ATOM 493 C GLU A 32 10.647 3.025 5.089 1.00 0.00 C ATOM 494 O GLU A 32 10.553 2.317 6.093 1.00 0.00 O ATOM 495 CB GLU A 32 10.315 5.458 5.490 1.00 0.00 C ATOM 496 CG GLU A 32 11.028 6.675 6.084 1.00 0.00 C ATOM 497 CD GLU A 32 10.107 7.367 7.084 1.00 0.00 C ATOM 498 OE1 GLU A 32 9.129 7.954 6.651 1.00 0.00 O ATOM 499 OE2 GLU A 32 10.394 7.300 8.269 1.00 0.00 O ATOM 0 H GLU A 32 11.346 4.885 3.106 1.00 0.00 H new ATOM 0 HA GLU A 32 12.119 4.357 5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.763 5.747 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.587 5.067 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.950 6.365 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.308 7.369 5.291 1.00 0.00 H new ATOM 506 N GLU A 33 10.157 2.671 3.902 1.00 0.00 N ATOM 507 CA GLU A 33 9.464 1.395 3.714 1.00 0.00 C ATOM 508 C GLU A 33 8.183 1.353 4.543 1.00 0.00 C ATOM 509 O GLU A 33 8.154 1.790 5.694 1.00 0.00 O ATOM 510 CB GLU A 33 10.363 0.223 4.122 1.00 0.00 C ATOM 511 CG GLU A 33 9.818 -1.072 3.518 1.00 0.00 C ATOM 512 CD GLU A 33 10.272 -2.258 4.363 1.00 0.00 C ATOM 513 OE1 GLU A 33 11.465 -2.376 4.590 1.00 0.00 O ATOM 514 OE2 GLU A 33 9.420 -3.030 4.771 1.00 0.00 O ATOM 0 H GLU A 33 10.225 3.244 3.061 1.00 0.00 H new ATOM 0 HA GLU A 33 9.215 1.306 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.383 0.396 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.402 0.142 5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.729 -1.037 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.172 -1.185 2.493 1.00 0.00 H new ATOM 521 N VAL A 34 7.125 0.820 3.940 1.00 0.00 N ATOM 522 CA VAL A 34 5.837 0.720 4.621 1.00 0.00 C ATOM 523 C VAL A 34 4.824 0.007 3.721 1.00 0.00 C ATOM 524 O VAL A 34 4.605 0.404 2.577 1.00 0.00 O ATOM 525 CB VAL A 34 5.320 2.121 4.993 1.00 0.00 C ATOM 526 CG1 VAL A 34 5.089 2.951 3.725 1.00 0.00 C ATOM 527 CG2 VAL A 34 4.006 2.003 5.778 1.00 0.00 C ATOM 0 H VAL A 34 7.132 0.453 2.988 1.00 0.00 H new ATOM 0 HA VAL A 34 5.967 0.142 5.536 1.00 0.00 H new ATOM 0 HB VAL A 34 6.066 2.617 5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.723 3.940 3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.027 3.050 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.352 2.454 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.647 2.999 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.260 1.496 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.177 1.430 6.689 1.00 0.00 H new ATOM 537 N ASP A 35 4.213 -1.048 4.252 1.00 0.00 N ATOM 538 CA ASP A 35 3.226 -1.805 3.477 1.00 0.00 C ATOM 539 C ASP A 35 1.815 -1.263 3.713 1.00 0.00 C ATOM 540 O ASP A 35 1.182 -0.747 2.793 1.00 0.00 O ATOM 541 CB ASP A 35 3.261 -3.315 3.795 1.00 0.00 C ATOM 542 CG ASP A 35 3.516 -3.568 5.281 1.00 0.00 C ATOM 543 OD1 ASP A 35 2.601 -3.366 6.062 1.00 0.00 O ATOM 544 OD2 ASP A 35 4.623 -3.957 5.613 1.00 0.00 O ATOM 0 H ASP A 35 4.377 -1.396 5.197 1.00 0.00 H new ATOM 0 HA ASP A 35 3.493 -1.678 2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.315 -3.771 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.041 -3.795 3.204 1.00 0.00 H new ATOM 549 N ASP A 36 1.328 -1.379 4.949 1.00 0.00 N ATOM 550 CA ASP A 36 -0.012 -0.894 5.282 1.00 0.00 C ATOM 551 C ASP A 36 -1.071 -1.628 4.454 1.00 0.00 C ATOM 552 O ASP A 36 -0.790 -2.109 3.357 1.00 0.00 O ATOM 553 CB ASP A 36 -0.122 0.611 5.015 1.00 0.00 C ATOM 554 CG ASP A 36 0.209 1.382 6.288 1.00 0.00 C ATOM 555 OD1 ASP A 36 -0.682 1.547 7.105 1.00 0.00 O ATOM 556 OD2 ASP A 36 1.347 1.795 6.428 1.00 0.00 O ATOM 0 H ASP A 36 1.834 -1.800 5.728 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.183 -1.087 6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.560 0.899 4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.129 0.858 4.679 1.00 0.00 H new ATOM 561 N PRO A 37 -2.305 -1.726 4.967 1.00 0.00 N ATOM 562 CA PRO A 37 -3.391 -2.405 4.256 1.00 0.00 C ATOM 563 C PRO A 37 -3.979 -1.560 3.123 1.00 0.00 C ATOM 564 O PRO A 37 -3.869 -1.912 1.948 1.00 0.00 O ATOM 565 CB PRO A 37 -4.432 -2.674 5.340 1.00 0.00 C ATOM 566 CG PRO A 37 -4.182 -1.655 6.402 1.00 0.00 C ATOM 567 CD PRO A 37 -2.753 -1.199 6.267 1.00 0.00 C ATOM 0 HA PRO A 37 -3.040 -3.312 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.443 -2.585 4.943 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.333 -3.685 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.865 -0.812 6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.357 -2.081 7.390 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.681 -0.112 6.298 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.138 -1.582 7.081 1.00 0.00 H new ATOM 575 N LYS A 38 -4.605 -0.441 3.487 1.00 0.00 N ATOM 576 CA LYS A 38 -5.211 0.451 2.497 1.00 0.00 C ATOM 577 C LYS A 38 -4.195 0.890 1.440 1.00 0.00 C ATOM 578 O LYS A 38 -4.563 1.235 0.317 1.00 0.00 O ATOM 579 CB LYS A 38 -5.777 1.698 3.181 1.00 0.00 C ATOM 580 CG LYS A 38 -6.892 1.290 4.146 1.00 0.00 C ATOM 581 CD LYS A 38 -7.576 2.543 4.695 1.00 0.00 C ATOM 582 CE LYS A 38 -8.863 2.147 5.420 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.592 1.754 6.833 1.00 0.00 N ATOM 0 H LYS A 38 -4.706 -0.131 4.454 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.011 -0.105 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.987 2.219 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.164 2.391 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.619 0.661 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.481 0.699 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.907 3.065 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.802 3.233 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.565 2.981 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.338 1.318 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.485 1.491 7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.941 0.943 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.161 2.554 7.339 1.00 0.00 H new ATOM 597 N LEU A 39 -2.916 0.883 1.809 1.00 0.00 N ATOM 598 CA LEU A 39 -1.866 1.292 0.879 1.00 0.00 C ATOM 599 C LEU A 39 -1.800 0.337 -0.312 1.00 0.00 C ATOM 600 O LEU A 39 -1.817 0.761 -1.467 1.00 0.00 O ATOM 601 CB LEU A 39 -0.505 1.324 1.585 1.00 0.00 C ATOM 602 CG LEU A 39 0.344 2.574 1.329 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.725 2.389 1.960 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.501 2.785 -0.180 1.00 0.00 C ATOM 0 H LEU A 39 -2.585 0.603 2.732 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.106 2.293 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.670 1.232 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.066 0.449 1.275 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.146 3.442 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.330 3.277 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.617 2.237 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.214 1.521 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.105 3.674 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.992 1.917 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.482 2.915 -0.633 1.00 0.00 H new ATOM 616 N LYS A 40 -1.723 -0.957 -0.015 1.00 0.00 N ATOM 617 CA LYS A 40 -1.653 -1.965 -1.070 1.00 0.00 C ATOM 618 C LYS A 40 -2.925 -1.945 -1.909 1.00 0.00 C ATOM 619 O LYS A 40 -2.878 -2.000 -3.139 1.00 0.00 O ATOM 620 CB LYS A 40 -1.474 -3.361 -0.468 1.00 0.00 C ATOM 621 CG LYS A 40 -0.232 -3.377 0.423 1.00 0.00 C ATOM 622 CD LYS A 40 -0.026 -4.783 0.993 1.00 0.00 C ATOM 623 CE LYS A 40 1.431 -4.955 1.430 1.00 0.00 C ATOM 624 NZ LYS A 40 2.225 -5.684 0.401 1.00 0.00 N ATOM 0 H LYS A 40 -1.708 -1.330 0.934 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.796 -1.731 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.355 -3.634 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.374 -4.101 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.644 -3.075 -0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.345 -2.658 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.691 -4.943 1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.281 -5.531 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.876 -3.977 1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.468 -5.500 2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.224 -5.710 0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.866 -6.656 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.140 -5.196 -0.513 1.00 0.00 H new ATOM 638 N GLU A 41 -4.066 -1.865 -1.231 1.00 0.00 N ATOM 639 CA GLU A 41 -5.353 -1.836 -1.919 1.00 0.00 C ATOM 640 C GLU A 41 -5.465 -0.592 -2.794 1.00 0.00 C ATOM 641 O GLU A 41 -5.946 -0.651 -3.926 1.00 0.00 O ATOM 642 CB GLU A 41 -6.500 -1.835 -0.907 1.00 0.00 C ATOM 643 CG GLU A 41 -6.581 -3.202 -0.224 1.00 0.00 C ATOM 644 CD GLU A 41 -6.993 -4.256 -1.246 1.00 0.00 C ATOM 645 OE1 GLU A 41 -7.968 -4.029 -1.944 1.00 0.00 O ATOM 646 OE2 GLU A 41 -6.328 -5.277 -1.316 1.00 0.00 O ATOM 0 H GLU A 41 -4.126 -1.819 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.418 -2.727 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.342 -1.054 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.441 -1.611 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.616 -3.460 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.302 -3.170 0.593 1.00 0.00 H new ATOM 653 N HIS A 42 -5.016 0.540 -2.251 1.00 0.00 N ATOM 654 CA HIS A 42 -5.069 1.813 -2.978 1.00 0.00 C ATOM 655 C HIS A 42 -4.444 1.692 -4.367 1.00 0.00 C ATOM 656 O HIS A 42 -5.080 1.997 -5.375 1.00 0.00 O ATOM 657 CB HIS A 42 -4.335 2.902 -2.194 1.00 0.00 C ATOM 658 CG HIS A 42 -4.612 4.245 -2.815 1.00 0.00 C ATOM 659 ND1 HIS A 42 -3.753 5.322 -2.660 1.00 0.00 N ATOM 660 CD2 HIS A 42 -5.647 4.700 -3.593 1.00 0.00 C ATOM 661 CE1 HIS A 42 -4.281 6.361 -3.331 1.00 0.00 C ATOM 662 NE2 HIS A 42 -5.436 6.036 -3.918 1.00 0.00 N ATOM 0 H HIS A 42 -4.613 0.604 -1.316 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.120 2.080 -3.091 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.660 2.897 -1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.263 2.704 -2.194 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.496 4.110 -3.905 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.827 7.339 -3.388 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.035 6.638 -4.483 1.00 0.00 H new ATOM 670 N ALA A 43 -3.187 1.245 -4.410 1.00 0.00 N ATOM 671 CA ALA A 43 -2.476 1.092 -5.683 1.00 0.00 C ATOM 672 C ALA A 43 -3.298 0.278 -6.683 1.00 0.00 C ATOM 673 O ALA A 43 -3.417 0.644 -7.852 1.00 0.00 O ATOM 674 CB ALA A 43 -1.131 0.397 -5.464 1.00 0.00 C ATOM 0 H ALA A 43 -2.644 0.985 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.314 2.091 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.616 0.291 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.520 0.993 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.297 -0.589 -5.030 1.00 0.00 H new ATOM 680 N PHE A 44 -3.873 -0.828 -6.207 1.00 0.00 N ATOM 681 CA PHE A 44 -4.694 -1.682 -7.068 1.00 0.00 C ATOM 682 C PHE A 44 -5.834 -0.869 -7.681 1.00 0.00 C ATOM 683 O PHE A 44 -6.234 -1.090 -8.825 1.00 0.00 O ATOM 684 CB PHE A 44 -5.279 -2.851 -6.265 1.00 0.00 C ATOM 685 CG PHE A 44 -6.007 -3.801 -7.192 1.00 0.00 C ATOM 686 CD1 PHE A 44 -5.359 -4.313 -8.324 1.00 0.00 C ATOM 687 CD2 PHE A 44 -7.330 -4.167 -6.918 1.00 0.00 C ATOM 688 CE1 PHE A 44 -6.034 -5.192 -9.179 1.00 0.00 C ATOM 689 CE2 PHE A 44 -8.005 -5.045 -7.774 1.00 0.00 C ATOM 690 CZ PHE A 44 -7.357 -5.558 -8.905 1.00 0.00 C ATOM 0 H PHE A 44 -3.788 -1.151 -5.243 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.060 -2.077 -7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.482 -3.379 -5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.964 -2.475 -5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.339 -4.029 -8.537 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.830 -3.772 -6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.534 -5.588 -10.050 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.026 -5.327 -7.562 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.878 -6.236 -9.565 1.00 0.00 H new ATOM 700 N CYS A 45 -6.341 0.079 -6.900 1.00 0.00 N ATOM 701 CA CYS A 45 -7.426 0.937 -7.361 1.00 0.00 C ATOM 702 C CYS A 45 -6.945 1.850 -8.488 1.00 0.00 C ATOM 703 O CYS A 45 -7.721 2.246 -9.357 1.00 0.00 O ATOM 704 CB CYS A 45 -7.943 1.800 -6.205 1.00 0.00 C ATOM 705 SG CYS A 45 -9.716 2.104 -6.410 1.00 0.00 S ATOM 0 H CYS A 45 -6.021 0.272 -5.951 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.229 0.300 -7.732 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.758 1.299 -5.255 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.404 2.747 -6.177 1.00 0.00 H new ATOM 710 N ILE A 46 -5.655 2.186 -8.460 1.00 0.00 N ATOM 711 CA ILE A 46 -5.081 3.063 -9.484 1.00 0.00 C ATOM 712 C ILE A 46 -4.550 2.245 -10.658 1.00 0.00 C ATOM 713 O ILE A 46 -4.546 2.704 -11.799 1.00 0.00 O ATOM 714 CB ILE A 46 -3.923 3.909 -8.922 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.192 4.323 -7.463 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.754 5.166 -9.776 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.517 5.085 -7.362 1.00 0.00 C ATOM 0 H ILE A 46 -4.994 1.870 -7.750 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.881 3.724 -9.817 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.015 3.306 -8.949 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.224 3.438 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.377 4.948 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.935 5.767 -9.381 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.531 4.880 -10.804 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.675 5.748 -9.753 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.694 5.371 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.470 5.980 -7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.331 4.447 -7.706 1.00 0.00 H new ATOM 729 N LEU A 47 -4.091 1.029 -10.366 1.00 0.00 N ATOM 730 CA LEU A 47 -3.546 0.157 -11.406 1.00 0.00 C ATOM 731 C LEU A 47 -4.589 -0.111 -12.495 1.00 0.00 C ATOM 732 O LEU A 47 -4.335 0.097 -13.681 1.00 0.00 O ATOM 733 CB LEU A 47 -3.084 -1.173 -10.795 1.00 0.00 C ATOM 734 CG LEU A 47 -1.567 -1.369 -10.707 1.00 0.00 C ATOM 735 CD1 LEU A 47 -1.265 -2.794 -10.238 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.941 -1.147 -12.086 1.00 0.00 C ATOM 0 H LEU A 47 -4.085 0.628 -9.428 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.692 0.662 -11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.502 -1.256 -9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.504 -1.988 -11.384 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.150 -0.654 -9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.186 -2.935 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.710 -2.956 -9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.683 -3.507 -10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.138 -1.287 -12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.358 -1.863 -12.794 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.156 -0.134 -12.424 1.00 0.00 H new ATOM 748 N LYS A 48 -5.762 -0.582 -12.079 1.00 0.00 N ATOM 749 CA LYS A 48 -6.834 -0.883 -13.030 1.00 0.00 C ATOM 750 C LYS A 48 -7.309 0.392 -13.730 1.00 0.00 C ATOM 751 O LYS A 48 -7.782 0.351 -14.865 1.00 0.00 O ATOM 752 CB LYS A 48 -8.024 -1.541 -12.308 1.00 0.00 C ATOM 753 CG LYS A 48 -8.076 -3.045 -12.635 1.00 0.00 C ATOM 754 CD LYS A 48 -8.116 -3.860 -11.338 1.00 0.00 C ATOM 755 CE LYS A 48 -9.411 -3.559 -10.581 1.00 0.00 C ATOM 756 NZ LYS A 48 -10.560 -4.324 -11.143 1.00 0.00 N ATOM 0 H LYS A 48 -5.995 -0.762 -11.103 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.438 -1.573 -13.775 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.930 -1.398 -11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.954 -1.062 -12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.956 -3.264 -13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.205 -3.328 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.054 -4.925 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.255 -3.615 -10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.285 -3.810 -9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.624 -2.491 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.423 -4.098 -10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.694 -4.066 -12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.366 -5.343 -11.072 1.00 0.00 H new ATOM 770 N ARG A 49 -7.185 1.524 -13.039 1.00 0.00 N ATOM 771 CA ARG A 49 -7.613 2.801 -13.608 1.00 0.00 C ATOM 772 C ARG A 49 -6.577 3.328 -14.599 1.00 0.00 C ATOM 773 O ARG A 49 -6.917 3.777 -15.693 1.00 0.00 O ATOM 774 CB ARG A 49 -7.811 3.839 -12.501 1.00 0.00 C ATOM 775 CG ARG A 49 -9.237 3.739 -11.957 1.00 0.00 C ATOM 776 CD ARG A 49 -9.679 5.104 -11.429 1.00 0.00 C ATOM 777 NE ARG A 49 -8.829 5.528 -10.320 1.00 0.00 N ATOM 778 CZ ARG A 49 -9.076 6.655 -9.659 1.00 0.00 C ATOM 779 NH1 ARG A 49 -10.282 6.909 -9.230 1.00 0.00 N ATOM 780 NH2 ARG A 49 -8.113 7.508 -9.439 1.00 0.00 N ATOM 0 H ARG A 49 -6.797 1.584 -12.097 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.556 2.633 -14.128 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.092 3.673 -11.699 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.628 4.841 -12.890 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.915 3.404 -12.743 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.282 2.997 -11.160 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.634 5.841 -12.230 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.717 5.053 -11.100 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.033 4.951 -10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.035 6.243 -9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.471 7.774 -8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.170 7.310 -9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.303 8.372 -8.932 1.00 0.00 H new ATOM 794 N ALA A 50 -5.309 3.271 -14.199 1.00 0.00 N ATOM 795 CA ALA A 50 -4.223 3.750 -15.054 1.00 0.00 C ATOM 796 C ALA A 50 -4.192 2.987 -16.377 1.00 0.00 C ATOM 797 O ALA A 50 -3.775 3.520 -17.404 1.00 0.00 O ATOM 798 CB ALA A 50 -2.876 3.579 -14.351 1.00 0.00 C ATOM 0 H ALA A 50 -5.009 2.902 -13.297 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.402 4.806 -15.254 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.078 3.940 -15.000 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.875 4.150 -13.423 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.713 2.525 -14.128 1.00 0.00 H new ATOM 804 N GLY A 51 -4.635 1.734 -16.338 1.00 0.00 N ATOM 805 CA GLY A 51 -4.650 0.906 -17.539 1.00 0.00 C ATOM 806 C GLY A 51 -3.394 0.045 -17.618 1.00 0.00 C ATOM 807 O GLY A 51 -2.909 -0.274 -18.704 1.00 0.00 O ATOM 0 H GLY A 51 -4.985 1.274 -15.498 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.534 0.268 -17.536 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.718 1.540 -18.423 1.00 0.00 H new ATOM 811 N PHE A 52 -2.876 -0.330 -16.453 1.00 0.00 N ATOM 812 CA PHE A 52 -1.675 -1.160 -16.391 1.00 0.00 C ATOM 813 C PHE A 52 -2.052 -2.621 -16.183 1.00 0.00 C ATOM 814 O PHE A 52 -1.376 -3.528 -16.669 1.00 0.00 O ATOM 815 CB PHE A 52 -0.776 -0.707 -15.238 1.00 0.00 C ATOM 816 CG PHE A 52 0.195 0.336 -15.735 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.046 0.047 -16.808 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.244 1.595 -15.123 1.00 0.00 C ATOM 819 CE1 PHE A 52 1.946 1.014 -17.269 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.144 2.563 -15.584 1.00 0.00 C ATOM 821 CZ PHE A 52 1.995 2.272 -16.657 1.00 0.00 C ATOM 0 H PHE A 52 -3.264 -0.076 -15.545 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.139 -1.054 -17.334 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.382 -0.299 -14.429 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.233 -1.559 -14.830 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.008 -0.923 -17.281 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.413 1.819 -14.295 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.603 0.790 -18.097 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.182 3.534 -15.112 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.690 3.019 -17.013 1.00 0.00 H new ATOM 831 N ILE A 53 -3.140 -2.838 -15.451 1.00 0.00 N ATOM 832 CA ILE A 53 -3.606 -4.192 -15.176 1.00 0.00 C ATOM 833 C ILE A 53 -5.078 -4.330 -15.578 1.00 0.00 C ATOM 834 O ILE A 53 -5.870 -3.404 -15.396 1.00 0.00 O ATOM 835 CB ILE A 53 -3.418 -4.517 -13.680 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.594 -6.017 -13.447 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.430 -3.749 -12.819 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.851 -6.421 -12.168 1.00 0.00 C ATOM 0 H ILE A 53 -3.712 -2.100 -15.040 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.020 -4.900 -15.762 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.412 -4.213 -13.392 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.653 -6.261 -13.359 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.207 -6.577 -14.298 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.276 -3.996 -11.769 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.292 -2.678 -12.964 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.442 -4.027 -13.112 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.974 -7.491 -11.998 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.791 -6.190 -12.275 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.259 -5.870 -11.321 1.00 0.00 H new ATOM 850 N ASP A 54 -5.436 -5.486 -16.125 1.00 0.00 N ATOM 851 CA ASP A 54 -6.818 -5.710 -16.541 1.00 0.00 C ATOM 852 C ASP A 54 -7.617 -6.346 -15.409 1.00 0.00 C ATOM 853 O ASP A 54 -7.060 -6.774 -14.399 1.00 0.00 O ATOM 854 CB ASP A 54 -6.882 -6.615 -17.776 1.00 0.00 C ATOM 855 CG ASP A 54 -6.074 -7.888 -17.537 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.978 -8.304 -16.395 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.568 -8.431 -18.505 1.00 0.00 O ATOM 0 H ASP A 54 -4.804 -6.269 -16.289 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.249 -4.741 -16.792 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.919 -6.869 -17.997 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.492 -6.085 -18.645 1.00 0.00 H new ATOM 862 N ALA A 55 -8.934 -6.403 -15.595 1.00 0.00 N ATOM 863 CA ALA A 55 -9.827 -6.982 -14.588 1.00 0.00 C ATOM 864 C ALA A 55 -9.374 -8.385 -14.165 1.00 0.00 C ATOM 865 O ALA A 55 -9.720 -8.856 -13.081 1.00 0.00 O ATOM 866 CB ALA A 55 -11.255 -7.069 -15.134 1.00 0.00 C ATOM 0 H ALA A 55 -9.407 -6.057 -16.430 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.796 -6.328 -13.717 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.909 -7.501 -14.376 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.608 -6.070 -15.391 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.266 -7.698 -16.024 1.00 0.00 H new ATOM 872 N SER A 56 -8.607 -9.054 -15.029 1.00 0.00 N ATOM 873 CA SER A 56 -8.132 -10.403 -14.722 1.00 0.00 C ATOM 874 C SER A 56 -6.785 -10.381 -13.989 1.00 0.00 C ATOM 875 O SER A 56 -6.095 -11.399 -13.917 1.00 0.00 O ATOM 876 CB SER A 56 -7.979 -11.216 -16.007 1.00 0.00 C ATOM 877 OG SER A 56 -7.901 -12.598 -15.683 1.00 0.00 O ATOM 0 H SER A 56 -8.306 -8.690 -15.933 1.00 0.00 H new ATOM 0 HA SER A 56 -8.875 -10.863 -14.071 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.825 -11.033 -16.669 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.082 -10.905 -16.543 1.00 0.00 H new ATOM 0 HG SER A 56 -7.255 -12.728 -14.957 1.00 0.00 H new ATOM 883 N GLY A 57 -6.416 -9.225 -13.434 1.00 0.00 N ATOM 884 CA GLY A 57 -5.157 -9.110 -12.702 1.00 0.00 C ATOM 885 C GLY A 57 -3.961 -9.471 -13.579 1.00 0.00 C ATOM 886 O GLY A 57 -2.931 -9.929 -13.085 1.00 0.00 O ATOM 0 H GLY A 57 -6.964 -8.366 -13.477 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.043 -8.091 -12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.181 -9.765 -11.831 1.00 0.00 H new ATOM 890 N GLU A 58 -4.102 -9.257 -14.884 1.00 0.00 N ATOM 891 CA GLU A 58 -3.016 -9.562 -15.813 1.00 0.00 C ATOM 892 C GLU A 58 -2.015 -8.411 -15.854 1.00 0.00 C ATOM 893 O GLU A 58 -2.324 -7.318 -16.327 1.00 0.00 O ATOM 894 CB GLU A 58 -3.566 -9.799 -17.223 1.00 0.00 C ATOM 895 CG GLU A 58 -2.752 -10.895 -17.915 1.00 0.00 C ATOM 896 CD GLU A 58 -1.596 -10.265 -18.683 1.00 0.00 C ATOM 897 OE1 GLU A 58 -1.846 -9.713 -19.742 1.00 0.00 O ATOM 898 OE2 GLU A 58 -0.478 -10.342 -18.202 1.00 0.00 O ATOM 0 H GLU A 58 -4.944 -8.879 -15.318 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.517 -10.466 -15.464 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.615 -10.090 -17.171 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.519 -8.877 -17.802 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.370 -11.600 -17.176 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.389 -11.460 -18.595 1.00 0.00 H new ATOM 905 N PHE A 59 -0.811 -8.669 -15.350 1.00 0.00 N ATOM 906 CA PHE A 59 0.231 -7.643 -15.331 1.00 0.00 C ATOM 907 C PHE A 59 0.729 -7.356 -16.744 1.00 0.00 C ATOM 908 O PHE A 59 0.747 -8.235 -17.606 1.00 0.00 O ATOM 909 CB PHE A 59 1.421 -8.076 -14.463 1.00 0.00 C ATOM 910 CG PHE A 59 1.853 -9.477 -14.835 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.504 -9.712 -16.052 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.600 -10.541 -13.961 1.00 0.00 C ATOM 913 CE1 PHE A 59 2.901 -11.010 -16.394 1.00 0.00 C ATOM 914 CE2 PHE A 59 1.996 -11.838 -14.302 1.00 0.00 C ATOM 915 CZ PHE A 59 2.647 -12.073 -15.519 1.00 0.00 C ATOM 0 H PHE A 59 -0.534 -9.567 -14.954 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.210 -6.741 -14.907 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.251 -7.383 -14.599 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.145 -8.040 -13.409 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.700 -8.892 -16.727 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.098 -10.360 -13.022 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.403 -11.191 -17.333 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.800 -12.658 -13.627 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.953 -13.074 -15.783 1.00 0.00 H new ATOM 925 N GLN A 60 1.136 -6.110 -16.966 1.00 0.00 N ATOM 926 CA GLN A 60 1.641 -5.697 -18.272 1.00 0.00 C ATOM 927 C GLN A 60 2.910 -4.867 -18.098 1.00 0.00 C ATOM 928 O GLN A 60 2.873 -3.639 -18.123 1.00 0.00 O ATOM 929 CB GLN A 60 0.590 -4.863 -19.011 1.00 0.00 C ATOM 930 CG GLN A 60 -0.450 -5.791 -19.642 1.00 0.00 C ATOM 931 CD GLN A 60 0.206 -6.629 -20.733 1.00 0.00 C ATOM 932 OE1 GLN A 60 1.030 -6.129 -21.498 1.00 0.00 O ATOM 933 NE2 GLN A 60 -0.112 -7.890 -20.851 1.00 0.00 N ATOM 0 H GLN A 60 1.126 -5.371 -16.263 1.00 0.00 H new ATOM 0 HA GLN A 60 1.864 -6.590 -18.856 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.105 -4.174 -18.319 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.067 -4.258 -19.782 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.882 -6.441 -18.881 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.268 -5.205 -20.062 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.795 -8.305 -20.217 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.323 -8.460 -21.577 1.00 0.00 H new ATOM 942 N LEU A 61 4.031 -5.556 -17.908 1.00 0.00 N ATOM 943 CA LEU A 61 5.311 -4.877 -17.712 1.00 0.00 C ATOM 944 C LEU A 61 5.842 -4.305 -19.022 1.00 0.00 C ATOM 945 O LEU A 61 6.590 -3.327 -19.027 1.00 0.00 O ATOM 946 CB LEU A 61 6.343 -5.849 -17.139 1.00 0.00 C ATOM 947 CG LEU A 61 5.843 -6.744 -16.001 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.017 -7.534 -15.420 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.223 -5.875 -14.903 1.00 0.00 C ATOM 0 H LEU A 61 4.082 -6.574 -17.885 1.00 0.00 H new ATOM 0 HA LEU A 61 5.144 -4.058 -17.013 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.705 -6.485 -17.947 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.197 -5.275 -16.779 1.00 0.00 H new ATOM 0 HG LEU A 61 5.093 -7.435 -16.386 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.662 -8.171 -14.610 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.461 -8.153 -16.200 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.766 -6.842 -15.035 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.867 -6.511 -14.093 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.973 -5.184 -14.519 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.387 -5.310 -15.315 1.00 0.00 H new ATOM 961 N ASP A 62 5.455 -4.920 -20.137 1.00 0.00 N ATOM 962 CA ASP A 62 5.909 -4.452 -21.446 1.00 0.00 C ATOM 963 C ASP A 62 5.478 -3.006 -21.682 1.00 0.00 C ATOM 964 O ASP A 62 6.147 -2.253 -22.390 1.00 0.00 O ATOM 965 CB ASP A 62 5.338 -5.333 -22.559 1.00 0.00 C ATOM 966 CG ASP A 62 6.219 -6.564 -22.737 1.00 0.00 C ATOM 967 OD1 ASP A 62 7.222 -6.455 -23.422 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.878 -7.598 -22.186 1.00 0.00 O ATOM 0 H ASP A 62 4.838 -5.731 -20.163 1.00 0.00 H new ATOM 0 HA ASP A 62 6.997 -4.509 -21.461 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.320 -5.634 -22.312 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.287 -4.771 -23.492 1.00 0.00 H new ATOM 973 N HIS A 63 4.354 -2.625 -21.078 1.00 0.00 N ATOM 974 CA HIS A 63 3.846 -1.265 -21.228 1.00 0.00 C ATOM 975 C HIS A 63 4.445 -0.355 -20.160 1.00 0.00 C ATOM 976 O HIS A 63 4.679 0.831 -20.394 1.00 0.00 O ATOM 977 CB HIS A 63 2.322 -1.247 -21.101 1.00 0.00 C ATOM 978 CG HIS A 63 1.786 0.041 -21.664 1.00 0.00 C ATOM 979 ND1 HIS A 63 1.005 0.907 -20.914 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.910 0.624 -22.900 1.00 0.00 C ATOM 981 CE1 HIS A 63 0.691 1.953 -21.700 1.00 0.00 C ATOM 982 NE2 HIS A 63 1.218 1.831 -22.921 1.00 0.00 N ATOM 0 H HIS A 63 3.784 -3.231 -20.487 1.00 0.00 H new ATOM 0 HA HIS A 63 4.131 -0.904 -22.216 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.892 -2.096 -21.633 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.033 -1.347 -20.055 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.461 0.209 -23.731 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.086 2.789 -21.382 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.132 2.482 -23.701 1.00 0.00 H new ATOM 990 N ILE A 64 4.687 -0.924 -18.984 1.00 0.00 N ATOM 991 CA ILE A 64 5.258 -0.159 -17.878 1.00 0.00 C ATOM 992 C ILE A 64 6.702 0.230 -18.186 1.00 0.00 C ATOM 993 O ILE A 64 7.064 1.405 -18.143 1.00 0.00 O ATOM 994 CB ILE A 64 5.216 -0.980 -16.584 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.772 -1.411 -16.307 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.729 -0.139 -15.406 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.760 -2.646 -15.398 1.00 0.00 C ATOM 0 H ILE A 64 4.499 -1.904 -18.771 1.00 0.00 H new ATOM 0 HA ILE A 64 4.664 0.746 -17.749 1.00 0.00 H new ATOM 0 HB ILE A 64 5.852 -1.858 -16.698 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.224 -0.596 -15.834 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.264 -1.634 -17.245 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.694 -0.733 -14.493 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.756 0.170 -15.599 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.101 0.744 -15.289 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.730 -2.946 -15.206 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.291 -3.463 -15.887 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.251 -2.408 -14.454 1.00 0.00 H new ATOM 1009 N LYS A 65 7.530 -0.772 -18.485 1.00 0.00 N ATOM 1010 CA LYS A 65 8.942 -0.523 -18.783 1.00 0.00 C ATOM 1011 C LYS A 65 9.104 0.552 -19.867 1.00 0.00 C ATOM 1012 O LYS A 65 9.906 1.475 -19.726 1.00 0.00 O ATOM 1013 CB LYS A 65 9.640 -1.820 -19.223 1.00 0.00 C ATOM 1014 CG LYS A 65 9.038 -2.346 -20.531 1.00 0.00 C ATOM 1015 CD LYS A 65 9.381 -3.832 -20.701 1.00 0.00 C ATOM 1016 CE LYS A 65 10.900 -4.017 -20.762 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.499 -3.236 -21.882 1.00 0.00 N ATOM 0 H LYS A 65 7.252 -1.753 -18.527 1.00 0.00 H new ATOM 0 HA LYS A 65 9.411 -0.160 -17.869 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.706 -1.637 -19.356 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.541 -2.574 -18.443 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.956 -2.212 -20.524 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.425 -1.775 -21.375 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.970 -4.406 -19.870 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.923 -4.217 -21.612 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.345 -3.702 -19.818 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.135 -5.074 -20.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.468 -3.570 -22.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.926 -3.365 -22.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.522 -2.228 -21.629 1.00 0.00 H new ATOM 1031 N THR A 66 8.329 0.423 -20.941 1.00 0.00 N ATOM 1032 CA THR A 66 8.388 1.390 -22.035 1.00 0.00 C ATOM 1033 C THR A 66 7.987 2.782 -21.553 1.00 0.00 C ATOM 1034 O THR A 66 8.522 3.792 -22.012 1.00 0.00 O ATOM 1035 CB THR A 66 7.457 0.969 -23.173 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.583 -0.429 -23.392 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.834 1.723 -24.449 1.00 0.00 C ATOM 0 H THR A 66 7.659 -0.334 -21.077 1.00 0.00 H new ATOM 0 HA THR A 66 9.416 1.418 -22.396 1.00 0.00 H new ATOM 0 HB THR A 66 6.427 1.204 -22.906 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.728 -0.868 -23.203 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.170 1.422 -25.259 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.737 2.795 -24.280 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.864 1.490 -24.719 1.00 0.00 H new ATOM 1045 N LYS A 67 7.026 2.824 -20.635 1.00 0.00 N ATOM 1046 CA LYS A 67 6.541 4.098 -20.108 1.00 0.00 C ATOM 1047 C LYS A 67 7.645 4.838 -19.360 1.00 0.00 C ATOM 1048 O LYS A 67 7.888 6.018 -19.602 1.00 0.00 O ATOM 1049 CB LYS A 67 5.362 3.873 -19.159 1.00 0.00 C ATOM 1050 CG LYS A 67 4.087 3.651 -19.974 1.00 0.00 C ATOM 1051 CD LYS A 67 3.486 5.004 -20.361 1.00 0.00 C ATOM 1052 CE LYS A 67 2.222 4.785 -21.193 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.751 6.054 -21.816 1.00 0.00 N ATOM 0 H LYS A 67 6.571 2.000 -20.243 1.00 0.00 H new ATOM 0 HA LYS A 67 6.218 4.701 -20.956 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.554 3.010 -18.522 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.241 4.734 -18.502 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.311 3.071 -20.869 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.367 3.074 -19.393 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.249 5.578 -19.465 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.211 5.586 -20.929 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.421 4.048 -21.971 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.435 4.375 -20.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.892 5.869 -22.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.538 6.748 -21.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.493 6.431 -22.439 1.00 0.00 H new ATOM 1067 N PHE A 68 8.307 4.140 -18.443 1.00 0.00 N ATOM 1068 CA PHE A 68 9.379 4.756 -17.666 1.00 0.00 C ATOM 1069 C PHE A 68 10.568 5.097 -18.561 1.00 0.00 C ATOM 1070 O PHE A 68 11.209 6.135 -18.396 1.00 0.00 O ATOM 1071 CB PHE A 68 9.845 3.812 -16.556 1.00 0.00 C ATOM 1072 CG PHE A 68 8.985 4.012 -15.332 1.00 0.00 C ATOM 1073 CD1 PHE A 68 8.906 5.273 -14.731 1.00 0.00 C ATOM 1074 CD2 PHE A 68 8.266 2.935 -14.799 1.00 0.00 C ATOM 1075 CE1 PHE A 68 8.108 5.458 -13.595 1.00 0.00 C ATOM 1076 CE2 PHE A 68 7.468 3.120 -13.663 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.389 4.381 -13.062 1.00 0.00 C ATOM 0 H PHE A 68 8.125 3.161 -18.221 1.00 0.00 H new ATOM 0 HA PHE A 68 8.987 5.672 -17.225 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.781 2.777 -16.893 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.890 4.005 -16.315 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.460 6.103 -15.143 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.327 1.962 -15.264 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.047 6.431 -13.130 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.914 2.290 -13.251 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.773 4.524 -12.186 1.00 0.00 H new ATOM 1087 N LYS A 69 10.858 4.206 -19.505 1.00 0.00 N ATOM 1088 CA LYS A 69 11.979 4.414 -20.419 1.00 0.00 C ATOM 1089 C LYS A 69 11.650 5.437 -21.516 1.00 0.00 C ATOM 1090 O LYS A 69 12.496 5.734 -22.361 1.00 0.00 O ATOM 1091 CB LYS A 69 12.368 3.092 -21.084 1.00 0.00 C ATOM 1092 CG LYS A 69 12.917 2.131 -20.028 1.00 0.00 C ATOM 1093 CD LYS A 69 14.384 2.462 -19.750 1.00 0.00 C ATOM 1094 CE LYS A 69 15.245 1.992 -20.922 1.00 0.00 C ATOM 1095 NZ LYS A 69 16.695 2.016 -20.576 1.00 0.00 N ATOM 0 H LYS A 69 10.339 3.341 -19.657 1.00 0.00 H new ATOM 0 HA LYS A 69 12.806 4.801 -19.824 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.501 2.651 -21.576 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.117 3.268 -21.856 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.335 2.212 -19.110 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.825 1.102 -20.375 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.504 3.536 -19.605 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.709 1.977 -18.829 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.954 0.981 -21.207 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.065 2.631 -21.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.236 1.522 -21.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.020 3.002 -20.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.842 1.541 -19.662 1.00 0.00 H new ATOM 1109 N GLU A 70 10.421 5.970 -21.516 1.00 0.00 N ATOM 1110 CA GLU A 70 10.019 6.945 -22.538 1.00 0.00 C ATOM 1111 C GLU A 70 11.043 8.080 -22.675 1.00 0.00 C ATOM 1112 O GLU A 70 11.421 8.457 -23.784 1.00 0.00 O ATOM 1113 CB GLU A 70 8.640 7.539 -22.212 1.00 0.00 C ATOM 1114 CG GLU A 70 8.689 8.305 -20.885 1.00 0.00 C ATOM 1115 CD GLU A 70 7.269 8.567 -20.396 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.448 8.967 -21.204 1.00 0.00 O ATOM 1117 OE2 GLU A 70 7.022 8.363 -19.218 1.00 0.00 O ATOM 0 H GLU A 70 9.698 5.747 -20.832 1.00 0.00 H new ATOM 0 HA GLU A 70 9.969 6.410 -23.486 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.326 8.207 -23.014 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.899 6.742 -22.152 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.241 7.730 -20.141 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.219 9.248 -21.017 1.00 0.00 H new ATOM 1124 N ASN A 71 11.484 8.611 -21.536 1.00 0.00 N ATOM 1125 CA ASN A 71 12.461 9.700 -21.538 1.00 0.00 C ATOM 1126 C ASN A 71 12.800 10.105 -20.103 1.00 0.00 C ATOM 1127 O ASN A 71 12.606 11.253 -19.696 1.00 0.00 O ATOM 1128 CB ASN A 71 11.911 10.919 -22.292 1.00 0.00 C ATOM 1129 CG ASN A 71 13.013 11.962 -22.447 1.00 0.00 C ATOM 1130 OD1 ASN A 71 13.895 11.821 -23.294 1.00 0.00 O ATOM 1131 ND2 ASN A 71 13.015 13.011 -21.670 1.00 0.00 N ATOM 0 H ASN A 71 11.185 8.309 -20.609 1.00 0.00 H new ATOM 0 HA ASN A 71 13.362 9.348 -22.041 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.541 10.617 -23.272 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.067 11.345 -21.750 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.748 13.714 -21.765 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.284 13.127 -20.968 1.00 0.00 H new ATOM 1138 N SER A 72 13.308 9.146 -19.337 1.00 0.00 N ATOM 1139 CA SER A 72 13.671 9.408 -17.947 1.00 0.00 C ATOM 1140 C SER A 72 15.008 10.137 -17.873 1.00 0.00 C ATOM 1141 O SER A 72 15.777 10.155 -18.835 1.00 0.00 O ATOM 1142 CB SER A 72 13.774 8.099 -17.164 1.00 0.00 C ATOM 1143 OG SER A 72 13.651 8.372 -15.775 1.00 0.00 O ATOM 0 H SER A 72 13.477 8.190 -19.649 1.00 0.00 H new ATOM 0 HA SER A 72 12.892 10.032 -17.509 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.992 7.409 -17.481 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.729 7.614 -17.368 1.00 0.00 H new ATOM 0 HG SER A 72 13.715 7.535 -15.270 1.00 0.00 H new ATOM 1149 N GLU A 73 15.276 10.738 -16.718 1.00 0.00 N ATOM 1150 CA GLU A 73 16.525 11.468 -16.518 1.00 0.00 C ATOM 1151 C GLU A 73 17.670 10.494 -16.261 1.00 0.00 C ATOM 1152 O GLU A 73 18.816 10.744 -16.635 1.00 0.00 O ATOM 1153 CB GLU A 73 16.405 12.419 -15.326 1.00 0.00 C ATOM 1154 CG GLU A 73 15.165 13.300 -15.495 1.00 0.00 C ATOM 1155 CD GLU A 73 15.127 14.346 -14.386 1.00 0.00 C ATOM 1156 OE1 GLU A 73 16.172 14.899 -14.084 1.00 0.00 O ATOM 1157 OE2 GLU A 73 14.053 14.581 -13.857 1.00 0.00 O ATOM 0 H GLU A 73 14.651 10.735 -15.912 1.00 0.00 H new ATOM 0 HA GLU A 73 16.729 12.044 -17.421 1.00 0.00 H new ATOM 0 HB2 GLU A 73 16.335 11.850 -14.399 1.00 0.00 H new ATOM 0 HB3 GLU A 73 17.298 13.040 -15.252 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.183 13.788 -16.469 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.264 12.688 -15.462 1.00 0.00 H new ATOM 1164 N HIS A 74 17.343 9.377 -15.618 1.00 0.00 N ATOM 1165 CA HIS A 74 18.346 8.359 -15.311 1.00 0.00 C ATOM 1166 C HIS A 74 17.709 6.968 -15.340 1.00 0.00 C ATOM 1167 O HIS A 74 17.313 6.438 -14.302 1.00 0.00 O ATOM 1168 CB HIS A 74 18.968 8.601 -13.929 1.00 0.00 C ATOM 1169 CG HIS A 74 17.884 8.848 -12.911 1.00 0.00 C ATOM 1170 ND1 HIS A 74 17.358 10.110 -12.684 1.00 0.00 N ATOM 1171 CD2 HIS A 74 17.221 8.006 -12.054 1.00 0.00 C ATOM 1172 CE1 HIS A 74 16.422 9.992 -11.725 1.00 0.00 C ATOM 1173 NE2 HIS A 74 16.298 8.730 -11.305 1.00 0.00 N ATOM 0 H HIS A 74 16.400 9.153 -15.301 1.00 0.00 H new ATOM 0 HA HIS A 74 19.130 8.421 -16.066 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.565 7.738 -13.634 1.00 0.00 H new ATOM 0 HB3 HIS A 74 19.642 9.457 -13.969 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.390 6.942 -11.973 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.841 10.818 -11.341 1.00 0.00 H new ATOM 0 HE2 HIS A 74 15.664 8.374 -10.590 1.00 0.00 H new ATOM 1181 N PRO A 75 17.599 6.362 -16.530 1.00 0.00 N ATOM 1182 CA PRO A 75 16.999 5.026 -16.682 1.00 0.00 C ATOM 1183 C PRO A 75 17.887 3.922 -16.114 1.00 0.00 C ATOM 1184 O PRO A 75 18.585 3.225 -16.851 1.00 0.00 O ATOM 1185 CB PRO A 75 16.841 4.863 -18.192 1.00 0.00 C ATOM 1186 CG PRO A 75 17.865 5.765 -18.788 1.00 0.00 C ATOM 1187 CD PRO A 75 18.041 6.907 -17.829 1.00 0.00 C ATOM 0 HA PRO A 75 16.059 4.944 -16.137 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.002 3.829 -18.496 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.837 5.138 -18.515 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.806 5.237 -18.938 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.542 6.125 -19.765 1.00 0.00 H new ATOM 0 HD2 PRO A 75 19.079 7.237 -17.790 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.443 7.770 -18.123 1.00 0.00 H new ATOM 1195 N GLU A 76 17.849 3.770 -14.794 1.00 0.00 N ATOM 1196 CA GLU A 76 18.650 2.745 -14.132 1.00 0.00 C ATOM 1197 C GLU A 76 18.067 1.361 -14.411 1.00 0.00 C ATOM 1198 O GLU A 76 17.552 0.689 -13.515 1.00 0.00 O ATOM 1199 CB GLU A 76 18.690 2.988 -12.618 1.00 0.00 C ATOM 1200 CG GLU A 76 17.261 3.032 -12.058 1.00 0.00 C ATOM 1201 CD GLU A 76 16.851 4.480 -11.805 1.00 0.00 C ATOM 1202 OE1 GLU A 76 17.268 5.026 -10.796 1.00 0.00 O ATOM 1203 OE2 GLU A 76 16.124 5.021 -12.622 1.00 0.00 O ATOM 0 H GLU A 76 17.279 4.337 -14.167 1.00 0.00 H new ATOM 0 HA GLU A 76 19.665 2.796 -14.526 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.257 2.196 -12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 76 19.203 3.926 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.570 2.566 -12.761 1.00 0.00 H new ATOM 0 HG3 GLU A 76 17.206 2.461 -11.131 1.00 0.00 H new ATOM 1210 N LYS A 77 18.163 0.940 -15.674 1.00 0.00 N ATOM 1211 CA LYS A 77 17.661 -0.366 -16.100 1.00 0.00 C ATOM 1212 C LYS A 77 16.272 -0.662 -15.521 1.00 0.00 C ATOM 1213 O LYS A 77 16.089 -1.594 -14.737 1.00 0.00 O ATOM 1214 CB LYS A 77 18.645 -1.443 -15.664 1.00 0.00 C ATOM 1215 CG LYS A 77 19.663 -1.696 -16.778 1.00 0.00 C ATOM 1216 CD LYS A 77 19.012 -2.527 -17.885 1.00 0.00 C ATOM 1217 CE LYS A 77 20.090 -3.037 -18.843 1.00 0.00 C ATOM 1218 NZ LYS A 77 19.543 -3.252 -20.213 1.00 0.00 N ATOM 0 H LYS A 77 18.586 1.489 -16.422 1.00 0.00 H new ATOM 0 HA LYS A 77 17.566 -0.358 -17.186 1.00 0.00 H new ATOM 0 HB2 LYS A 77 19.158 -1.133 -14.754 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.111 -2.364 -15.431 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.019 -0.748 -17.182 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.532 -2.219 -16.379 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.469 -3.367 -17.452 1.00 0.00 H new ATOM 0 HD3 LYS A 77 18.285 -1.923 -18.428 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.910 -2.320 -18.885 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.503 -3.972 -18.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.299 -3.598 -20.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.777 -3.954 -20.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 19.171 -2.354 -20.583 1.00 0.00 H new ATOM 1232 N VAL A 78 15.296 0.150 -15.921 1.00 0.00 N ATOM 1233 CA VAL A 78 13.926 -0.024 -15.442 1.00 0.00 C ATOM 1234 C VAL A 78 13.391 -1.398 -15.844 1.00 0.00 C ATOM 1235 O VAL A 78 12.815 -2.115 -15.030 1.00 0.00 O ATOM 1236 CB VAL A 78 13.011 1.068 -16.019 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.592 0.912 -15.463 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.548 2.446 -15.623 1.00 0.00 C ATOM 0 H VAL A 78 15.425 0.927 -16.569 1.00 0.00 H new ATOM 0 HA VAL A 78 13.935 0.054 -14.355 1.00 0.00 H new ATOM 0 HB VAL A 78 12.989 0.972 -17.105 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.951 1.690 -15.878 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.199 -0.067 -15.738 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.615 1.001 -14.377 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.899 3.221 -16.032 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.571 2.529 -14.536 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.556 2.571 -16.018 1.00 0.00 H new ATOM 1248 N ASP A 79 13.585 -1.755 -17.115 1.00 0.00 N ATOM 1249 CA ASP A 79 13.111 -3.047 -17.631 1.00 0.00 C ATOM 1250 C ASP A 79 13.496 -4.202 -16.703 1.00 0.00 C ATOM 1251 O ASP A 79 12.673 -5.060 -16.386 1.00 0.00 O ATOM 1252 CB ASP A 79 13.688 -3.313 -19.026 1.00 0.00 C ATOM 1253 CG ASP A 79 15.202 -3.127 -19.004 1.00 0.00 C ATOM 1254 OD1 ASP A 79 15.641 -1.994 -19.121 1.00 0.00 O ATOM 1255 OD2 ASP A 79 15.899 -4.118 -18.869 1.00 0.00 O ATOM 0 H ASP A 79 14.063 -1.175 -17.804 1.00 0.00 H new ATOM 0 HA ASP A 79 12.024 -2.991 -17.685 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.442 -4.326 -19.344 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.240 -2.633 -19.751 1.00 0.00 H new ATOM 1260 N ASP A 80 14.752 -4.211 -16.269 1.00 0.00 N ATOM 1261 CA ASP A 80 15.229 -5.263 -15.377 1.00 0.00 C ATOM 1262 C ASP A 80 14.557 -5.147 -14.010 1.00 0.00 C ATOM 1263 O ASP A 80 14.131 -6.143 -13.425 1.00 0.00 O ATOM 1264 CB ASP A 80 16.745 -5.166 -15.196 1.00 0.00 C ATOM 1265 CG ASP A 80 17.440 -5.963 -16.294 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.034 -5.836 -17.438 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.368 -6.689 -15.976 1.00 0.00 O ATOM 0 H ASP A 80 15.451 -3.511 -16.516 1.00 0.00 H new ATOM 0 HA ASP A 80 14.978 -6.224 -15.826 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.060 -4.123 -15.234 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.030 -5.550 -14.217 1.00 0.00 H new ATOM 1272 N LEU A 81 14.477 -3.918 -13.509 1.00 0.00 N ATOM 1273 CA LEU A 81 13.865 -3.671 -12.205 1.00 0.00 C ATOM 1274 C LEU A 81 12.375 -4.011 -12.225 1.00 0.00 C ATOM 1275 O LEU A 81 11.820 -4.471 -11.229 1.00 0.00 O ATOM 1276 CB LEU A 81 14.042 -2.202 -11.807 1.00 0.00 C ATOM 1277 CG LEU A 81 14.321 -1.954 -10.323 1.00 0.00 C ATOM 1278 CD1 LEU A 81 15.822 -2.076 -10.058 1.00 0.00 C ATOM 1279 CD2 LEU A 81 13.850 -0.547 -9.945 1.00 0.00 C ATOM 0 H LEU A 81 14.825 -3.083 -13.980 1.00 0.00 H new ATOM 0 HA LEU A 81 14.362 -4.311 -11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.862 -1.782 -12.389 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.141 -1.656 -12.086 1.00 0.00 H new ATOM 0 HG LEU A 81 13.786 -2.691 -9.725 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.020 -1.899 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.159 -3.077 -10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.358 -1.339 -10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.048 -0.369 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.386 0.189 -10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.780 -0.459 -10.134 1.00 0.00 H new ATOM 1291 N VAL A 82 11.734 -3.776 -13.366 1.00 0.00 N ATOM 1292 CA VAL A 82 10.304 -4.058 -13.499 1.00 0.00 C ATOM 1293 C VAL A 82 10.033 -5.546 -13.281 1.00 0.00 C ATOM 1294 O VAL A 82 9.040 -5.926 -12.663 1.00 0.00 O ATOM 1295 CB VAL A 82 9.806 -3.640 -14.891 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.299 -3.900 -15.013 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.083 -2.143 -15.110 1.00 0.00 C ATOM 0 H VAL A 82 12.174 -3.396 -14.204 1.00 0.00 H new ATOM 0 HA VAL A 82 9.769 -3.485 -12.742 1.00 0.00 H new ATOM 0 HB VAL A 82 10.333 -4.226 -15.645 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.957 -3.600 -16.004 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.100 -4.962 -14.866 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.768 -3.323 -14.256 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.729 -1.848 -16.098 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.562 -1.561 -14.349 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.155 -1.957 -15.038 1.00 0.00 H new ATOM 1307 N ALA A 83 10.925 -6.383 -13.796 1.00 0.00 N ATOM 1308 CA ALA A 83 10.770 -7.828 -13.653 1.00 0.00 C ATOM 1309 C ALA A 83 10.775 -8.233 -12.179 1.00 0.00 C ATOM 1310 O ALA A 83 9.851 -8.885 -11.694 1.00 0.00 O ATOM 1311 CB ALA A 83 11.904 -8.560 -14.373 1.00 0.00 C ATOM 0 H ALA A 83 11.756 -6.092 -14.312 1.00 0.00 H new ATOM 0 HA ALA A 83 9.814 -8.105 -14.098 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.774 -9.636 -14.257 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.887 -8.305 -15.433 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.860 -8.262 -13.943 1.00 0.00 H new ATOM 1317 N LYS A 84 11.841 -7.851 -11.479 1.00 0.00 N ATOM 1318 CA LYS A 84 11.984 -8.190 -10.063 1.00 0.00 C ATOM 1319 C LYS A 84 11.030 -7.378 -9.182 1.00 0.00 C ATOM 1320 O LYS A 84 10.713 -7.785 -8.064 1.00 0.00 O ATOM 1321 CB LYS A 84 13.431 -7.936 -9.605 1.00 0.00 C ATOM 1322 CG LYS A 84 14.144 -9.269 -9.364 1.00 0.00 C ATOM 1323 CD LYS A 84 15.647 -9.026 -9.222 1.00 0.00 C ATOM 1324 CE LYS A 84 16.333 -10.315 -8.764 1.00 0.00 C ATOM 1325 NZ LYS A 84 17.522 -10.025 -7.913 1.00 0.00 N ATOM 0 H LYS A 84 12.615 -7.310 -11.865 1.00 0.00 H new ATOM 0 HA LYS A 84 11.734 -9.245 -9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.965 -7.360 -10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.433 -7.342 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.755 -9.744 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.952 -9.951 -10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.064 -8.698 -10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.831 -8.229 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.625 -10.927 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.639 -10.895 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.965 -10.919 -7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.207 -9.461 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.224 -9.492 -7.071 1.00 0.00 H new ATOM 1339 N CYS A 85 10.590 -6.223 -9.674 1.00 0.00 N ATOM 1340 CA CYS A 85 9.692 -5.376 -8.888 1.00 0.00 C ATOM 1341 C CYS A 85 8.233 -5.753 -9.117 1.00 0.00 C ATOM 1342 O CYS A 85 7.480 -5.975 -8.167 1.00 0.00 O ATOM 1343 CB CYS A 85 9.886 -3.903 -9.248 1.00 0.00 C ATOM 1344 SG CYS A 85 11.460 -3.321 -8.572 1.00 0.00 S ATOM 0 H CYS A 85 10.833 -5.856 -10.594 1.00 0.00 H new ATOM 0 HA CYS A 85 9.939 -5.532 -7.838 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.874 -3.777 -10.331 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.064 -3.308 -8.849 1.00 0.00 H new ATOM 1349 N ALA A 86 7.834 -5.816 -10.385 1.00 0.00 N ATOM 1350 CA ALA A 86 6.452 -6.160 -10.728 1.00 0.00 C ATOM 1351 C ALA A 86 6.242 -7.677 -10.837 1.00 0.00 C ATOM 1352 O ALA A 86 5.439 -8.140 -11.649 1.00 0.00 O ATOM 1353 CB ALA A 86 6.063 -5.509 -12.055 1.00 0.00 C ATOM 0 H ALA A 86 8.439 -5.636 -11.186 1.00 0.00 H new ATOM 0 HA ALA A 86 5.821 -5.786 -9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.034 -5.771 -12.301 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.151 -4.426 -11.969 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.726 -5.865 -12.843 1.00 0.00 H new ATOM 1359 N VAL A 87 6.952 -8.449 -10.016 1.00 0.00 N ATOM 1360 CA VAL A 87 6.810 -9.905 -10.041 1.00 0.00 C ATOM 1361 C VAL A 87 5.372 -10.306 -9.721 1.00 0.00 C ATOM 1362 O VAL A 87 4.701 -9.662 -8.918 1.00 0.00 O ATOM 1363 CB VAL A 87 7.753 -10.563 -9.026 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.194 -10.453 -9.524 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.631 -9.859 -7.671 1.00 0.00 C ATOM 0 H VAL A 87 7.623 -8.097 -9.333 1.00 0.00 H new ATOM 0 HA VAL A 87 7.069 -10.247 -11.043 1.00 0.00 H new ATOM 0 HB VAL A 87 7.482 -11.613 -8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.865 -10.920 -8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.286 -10.958 -10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.460 -9.402 -9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.303 -10.331 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.898 -8.808 -7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.605 -9.937 -7.312 1.00 0.00 H new ATOM 1375 N LYS A 88 4.908 -11.372 -10.366 1.00 0.00 N ATOM 1376 CA LYS A 88 3.542 -11.853 -10.153 1.00 0.00 C ATOM 1377 C LYS A 88 3.378 -12.435 -8.749 1.00 0.00 C ATOM 1378 O LYS A 88 4.170 -13.269 -8.308 1.00 0.00 O ATOM 1379 CB LYS A 88 3.184 -12.930 -11.181 1.00 0.00 C ATOM 1380 CG LYS A 88 4.276 -14.007 -11.216 1.00 0.00 C ATOM 1381 CD LYS A 88 3.634 -15.395 -11.284 1.00 0.00 C ATOM 1382 CE LYS A 88 3.490 -15.961 -9.871 1.00 0.00 C ATOM 1383 NZ LYS A 88 3.364 -17.446 -9.889 1.00 0.00 N ATOM 0 H LYS A 88 5.451 -11.917 -11.036 1.00 0.00 H new ATOM 0 HA LYS A 88 2.873 -11.000 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.225 -13.381 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.074 -12.480 -12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.924 -13.853 -12.079 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.904 -13.930 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.657 -15.332 -11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.246 -16.061 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.356 -15.675 -9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.613 -15.526 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.268 -17.798 -8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.524 -17.716 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.212 -17.861 -10.325 1.00 0.00 H new ATOM 1397 N LYS A 89 2.330 -11.990 -8.055 1.00 0.00 N ATOM 1398 CA LYS A 89 2.054 -12.475 -6.702 1.00 0.00 C ATOM 1399 C LYS A 89 0.823 -13.377 -6.700 1.00 0.00 C ATOM 1400 O LYS A 89 0.243 -13.662 -7.748 1.00 0.00 O ATOM 1401 CB LYS A 89 1.813 -11.301 -5.745 1.00 0.00 C ATOM 1402 CG LYS A 89 3.135 -10.880 -5.095 1.00 0.00 C ATOM 1403 CD LYS A 89 4.110 -10.378 -6.168 1.00 0.00 C ATOM 1404 CE LYS A 89 5.206 -11.421 -6.401 1.00 0.00 C ATOM 1405 NZ LYS A 89 6.308 -11.282 -5.407 1.00 0.00 N ATOM 0 H LYS A 89 1.664 -11.301 -8.403 1.00 0.00 H new ATOM 0 HA LYS A 89 2.923 -13.042 -6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.380 -10.461 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.095 -11.588 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.955 -10.096 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.572 -11.724 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.575 -10.186 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.555 -9.433 -5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.778 -12.421 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.607 -11.311 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.160 -11.759 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.514 -10.274 -5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.020 -11.716 -4.507 1.00 0.00 H new ATOM 1419 N ASP A 90 0.431 -13.819 -5.508 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.738 -14.685 -5.372 1.00 0.00 C ATOM 1421 C ASP A 90 -2.018 -13.944 -5.769 1.00 0.00 C ATOM 1422 O ASP A 90 -3.034 -14.566 -6.078 1.00 0.00 O ATOM 1423 CB ASP A 90 -0.874 -15.173 -3.929 1.00 0.00 C ATOM 1424 CG ASP A 90 -0.899 -13.976 -2.985 1.00 0.00 C ATOM 1425 OD1 ASP A 90 0.166 -13.469 -2.675 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -1.983 -13.583 -2.587 1.00 0.00 O ATOM 0 H ASP A 90 0.900 -13.595 -4.630 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.598 -15.537 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.787 -15.757 -3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.042 -15.831 -3.677 1.00 0.00 H new ATOM 1431 N THR A 91 -1.963 -12.610 -5.759 1.00 0.00 N ATOM 1432 CA THR A 91 -3.126 -11.809 -6.121 1.00 0.00 C ATOM 1433 C THR A 91 -2.686 -10.534 -6.845 1.00 0.00 C ATOM 1434 O THR A 91 -1.551 -10.083 -6.683 1.00 0.00 O ATOM 1435 CB THR A 91 -3.922 -11.422 -4.873 1.00 0.00 C ATOM 1436 OG1 THR A 91 -3.022 -11.079 -3.828 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.792 -12.600 -4.434 1.00 0.00 C ATOM 0 H THR A 91 -1.135 -12.071 -5.507 1.00 0.00 H new ATOM 0 HA THR A 91 -3.756 -12.407 -6.780 1.00 0.00 H new ATOM 0 HB THR A 91 -4.560 -10.568 -5.099 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.664 -11.897 -3.423 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.358 -12.323 -3.545 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.482 -12.862 -5.236 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.157 -13.457 -4.207 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.572 -9.941 -7.654 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.255 -8.714 -8.404 1.00 0.00 C ATOM 1447 C PRO A 92 -3.144 -7.484 -7.506 1.00 0.00 C ATOM 1448 O PRO A 92 -2.177 -6.726 -7.591 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.423 -8.562 -9.374 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.556 -9.287 -8.734 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.951 -10.394 -7.920 1.00 0.00 C ATOM 0 HA PRO A 92 -2.286 -8.791 -8.897 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.668 -7.512 -9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.184 -8.987 -10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.139 -8.616 -8.103 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.235 -9.686 -9.487 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.503 -10.553 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.961 -11.339 -8.464 1.00 0.00 H new ATOM 1459 N GLN A 93 -4.144 -7.287 -6.649 1.00 0.00 N ATOM 1460 CA GLN A 93 -4.142 -6.133 -5.746 1.00 0.00 C ATOM 1461 C GLN A 93 -2.883 -6.108 -4.876 1.00 0.00 C ATOM 1462 O GLN A 93 -2.492 -5.060 -4.365 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.384 -6.139 -4.846 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.411 -7.410 -3.988 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.446 -8.385 -4.542 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -6.275 -8.929 -5.633 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.521 -8.641 -3.849 1.00 0.00 N ATOM 0 H GLN A 93 -4.955 -7.899 -6.559 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.155 -5.238 -6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.381 -5.258 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.285 -6.085 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.426 -7.876 -3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.652 -7.158 -2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.664 -8.191 -2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.218 -9.291 -4.211 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.248 -7.268 -4.716 1.00 0.00 N ATOM 1477 CA HIS A 94 -1.033 -7.347 -3.913 1.00 0.00 C ATOM 1478 C HIS A 94 0.137 -6.742 -4.681 1.00 0.00 C ATOM 1479 O HIS A 94 0.792 -5.810 -4.215 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.710 -8.804 -3.572 1.00 0.00 C ATOM 1481 CG HIS A 94 0.105 -8.856 -2.310 1.00 0.00 C ATOM 1482 ND1 HIS A 94 0.105 -9.962 -1.475 1.00 0.00 N ATOM 1483 CD2 HIS A 94 0.954 -7.947 -1.729 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.929 -9.693 -0.446 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.473 -8.477 -0.551 1.00 0.00 N ATOM 0 H HIS A 94 -2.550 -8.152 -5.125 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.194 -6.791 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.632 -9.372 -3.446 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.160 -9.267 -4.392 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -0.423 -10.823 -1.615 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.184 -6.969 -2.126 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.127 -10.377 0.366 1.00 0.00 H new ATOM 1493 N SER A 95 0.383 -7.281 -5.876 1.00 0.00 N ATOM 1494 CA SER A 95 1.470 -6.794 -6.735 1.00 0.00 C ATOM 1495 C SER A 95 1.446 -5.268 -6.866 1.00 0.00 C ATOM 1496 O SER A 95 2.477 -4.636 -7.100 1.00 0.00 O ATOM 1497 CB SER A 95 1.357 -7.408 -8.131 1.00 0.00 C ATOM 1498 OG SER A 95 0.097 -7.066 -8.693 1.00 0.00 O ATOM 0 H SER A 95 -0.153 -8.053 -6.273 1.00 0.00 H new ATOM 0 HA SER A 95 2.409 -7.092 -6.267 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.163 -7.044 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.461 -8.492 -8.074 1.00 0.00 H new ATOM 0 HG SER A 95 -0.488 -6.709 -7.992 1.00 0.00 H new ATOM 1504 N SER A 96 0.254 -4.685 -6.722 1.00 0.00 N ATOM 1505 CA SER A 96 0.095 -3.233 -6.835 1.00 0.00 C ATOM 1506 C SER A 96 1.049 -2.494 -5.894 1.00 0.00 C ATOM 1507 O SER A 96 1.712 -1.535 -6.291 1.00 0.00 O ATOM 1508 CB SER A 96 -1.343 -2.826 -6.506 1.00 0.00 C ATOM 1509 OG SER A 96 -1.541 -2.885 -5.100 1.00 0.00 O ATOM 0 H SER A 96 -0.610 -5.191 -6.528 1.00 0.00 H new ATOM 0 HA SER A 96 0.331 -2.958 -7.863 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.539 -1.817 -6.870 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.045 -3.489 -7.011 1.00 0.00 H new ATOM 0 HG SER A 96 -2.268 -3.510 -4.898 1.00 0.00 H new ATOM 1515 N ALA A 97 1.113 -2.949 -4.643 1.00 0.00 N ATOM 1516 CA ALA A 97 1.993 -2.319 -3.655 1.00 0.00 C ATOM 1517 C ALA A 97 3.442 -2.346 -4.139 1.00 0.00 C ATOM 1518 O ALA A 97 4.085 -1.305 -4.274 1.00 0.00 O ATOM 1519 CB ALA A 97 1.898 -3.041 -2.308 1.00 0.00 C ATOM 0 H ALA A 97 0.575 -3.741 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 97 1.671 -1.285 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.559 -2.558 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.872 -2.998 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.196 -4.082 -2.432 1.00 0.00 H new ATOM 1525 N ASP A 98 3.942 -3.549 -4.415 1.00 0.00 N ATOM 1526 CA ASP A 98 5.312 -3.701 -4.904 1.00 0.00 C ATOM 1527 C ASP A 98 5.484 -2.948 -6.222 1.00 0.00 C ATOM 1528 O ASP A 98 6.562 -2.437 -6.529 1.00 0.00 O ATOM 1529 CB ASP A 98 5.643 -5.178 -5.127 1.00 0.00 C ATOM 1530 CG ASP A 98 5.542 -5.928 -3.802 1.00 0.00 C ATOM 1531 OD1 ASP A 98 4.431 -6.214 -3.389 1.00 0.00 O ATOM 1532 OD2 ASP A 98 6.578 -6.205 -3.221 1.00 0.00 O ATOM 0 H ASP A 98 3.427 -4.423 -4.310 1.00 0.00 H new ATOM 0 HA ASP A 98 5.988 -3.291 -4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.956 -5.610 -5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.647 -5.278 -5.538 1.00 0.00 H new ATOM 1537 N PHE A 99 4.399 -2.878 -6.990 1.00 0.00 N ATOM 1538 CA PHE A 99 4.415 -2.180 -8.270 1.00 0.00 C ATOM 1539 C PHE A 99 4.158 -0.684 -8.049 1.00 0.00 C ATOM 1540 O PHE A 99 3.203 -0.117 -8.575 1.00 0.00 O ATOM 1541 CB PHE A 99 3.335 -2.770 -9.194 1.00 0.00 C ATOM 1542 CG PHE A 99 3.305 -2.036 -10.518 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.382 -2.137 -11.403 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.194 -1.253 -10.852 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.349 -1.452 -12.624 1.00 0.00 C ATOM 1546 CE2 PHE A 99 2.159 -0.570 -12.071 1.00 0.00 C ATOM 1547 CZ PHE A 99 3.236 -0.669 -12.958 1.00 0.00 C ATOM 0 H PHE A 99 3.500 -3.296 -6.748 1.00 0.00 H new ATOM 0 HA PHE A 99 5.392 -2.306 -8.738 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.533 -3.828 -9.364 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.360 -2.701 -8.712 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.238 -2.742 -11.146 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.363 -1.176 -10.167 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.181 -1.527 -13.308 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.301 0.034 -12.328 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.210 -0.142 -13.900 1.00 0.00 H new ATOM 1557 N PHE A 100 5.028 -0.057 -7.257 1.00 0.00 N ATOM 1558 CA PHE A 100 4.896 1.371 -6.961 1.00 0.00 C ATOM 1559 C PHE A 100 5.989 1.806 -5.988 1.00 0.00 C ATOM 1560 O PHE A 100 6.546 2.897 -6.104 1.00 0.00 O ATOM 1561 CB PHE A 100 3.524 1.674 -6.333 1.00 0.00 C ATOM 1562 CG PHE A 100 2.593 2.249 -7.378 1.00 0.00 C ATOM 1563 CD1 PHE A 100 2.978 3.372 -8.121 1.00 0.00 C ATOM 1564 CD2 PHE A 100 1.345 1.656 -7.603 1.00 0.00 C ATOM 1565 CE1 PHE A 100 2.114 3.901 -9.087 1.00 0.00 C ATOM 1566 CE2 PHE A 100 0.481 2.184 -8.569 1.00 0.00 C ATOM 1567 CZ PHE A 100 0.866 3.307 -9.312 1.00 0.00 C ATOM 0 H PHE A 100 5.826 -0.510 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 100 4.991 1.919 -7.898 1.00 0.00 H new ATOM 0 HB2 PHE A 100 3.097 0.762 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.639 2.379 -5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.941 3.830 -7.949 1.00 0.00 H new ATOM 0 HD2 PHE A 100 1.049 0.790 -7.030 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.410 4.768 -9.659 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.482 1.726 -8.741 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.200 3.715 -10.058 1.00 0.00 H new ATOM 1577 N LYS A 101 6.279 0.939 -5.023 1.00 0.00 N ATOM 1578 CA LYS A 101 7.298 1.239 -4.019 1.00 0.00 C ATOM 1579 C LYS A 101 8.669 0.752 -4.483 1.00 0.00 C ATOM 1580 O LYS A 101 9.678 1.435 -4.310 1.00 0.00 O ATOM 1581 CB LYS A 101 6.960 0.561 -2.682 1.00 0.00 C ATOM 1582 CG LYS A 101 5.481 0.790 -2.323 1.00 0.00 C ATOM 1583 CD LYS A 101 5.376 1.585 -1.019 1.00 0.00 C ATOM 1584 CE LYS A 101 4.167 1.098 -0.214 1.00 0.00 C ATOM 1585 NZ LYS A 101 2.942 1.030 -1.060 1.00 0.00 N ATOM 0 H LYS A 101 5.828 0.031 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 101 7.320 2.320 -3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.164 -0.508 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.598 0.960 -1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.982 1.329 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.971 -0.168 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.288 1.464 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.276 2.648 -1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.378 0.113 0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.993 1.769 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.131 0.746 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.757 1.964 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.082 0.333 -1.819 1.00 0.00 H new ATOM 1599 N CYS A 102 8.692 -0.446 -5.070 1.00 0.00 N ATOM 1600 CA CYS A 102 9.941 -1.042 -5.558 1.00 0.00 C ATOM 1601 C CYS A 102 10.748 -0.057 -6.406 1.00 0.00 C ATOM 1602 O CYS A 102 11.893 0.264 -6.087 1.00 0.00 O ATOM 1603 CB CYS A 102 9.642 -2.284 -6.399 1.00 0.00 C ATOM 1604 SG CYS A 102 11.150 -3.266 -6.578 1.00 0.00 S ATOM 0 H CYS A 102 7.864 -1.022 -5.220 1.00 0.00 H new ATOM 0 HA CYS A 102 10.530 -1.312 -4.682 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.862 -2.879 -5.924 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.267 -1.991 -7.380 1.00 0.00 H new ATOM 1609 N VAL A 103 10.140 0.413 -7.494 1.00 0.00 N ATOM 1610 CA VAL A 103 10.813 1.357 -8.387 1.00 0.00 C ATOM 1611 C VAL A 103 11.258 2.613 -7.633 1.00 0.00 C ATOM 1612 O VAL A 103 12.163 3.324 -8.072 1.00 0.00 O ATOM 1613 CB VAL A 103 9.886 1.764 -9.535 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.555 0.533 -10.383 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.592 2.351 -8.967 1.00 0.00 C ATOM 0 H VAL A 103 9.193 0.160 -7.777 1.00 0.00 H new ATOM 0 HA VAL A 103 11.694 0.855 -8.788 1.00 0.00 H new ATOM 0 HB VAL A 103 10.383 2.512 -10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.895 0.821 -11.201 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.475 0.113 -10.790 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.059 -0.214 -9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.933 2.640 -9.786 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.095 1.604 -8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.825 3.227 -8.362 1.00 0.00 H new ATOM 1625 N HIS A 104 10.615 2.884 -6.497 1.00 0.00 N ATOM 1626 CA HIS A 104 10.962 4.059 -5.702 1.00 0.00 C ATOM 1627 C HIS A 104 12.145 3.752 -4.788 1.00 0.00 C ATOM 1628 O HIS A 104 13.013 4.597 -4.567 1.00 0.00 O ATOM 1629 CB HIS A 104 9.772 4.499 -4.848 1.00 0.00 C ATOM 1630 CG HIS A 104 8.935 5.483 -5.619 1.00 0.00 C ATOM 1631 ND1 HIS A 104 7.921 5.081 -6.474 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.952 6.855 -5.675 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.374 6.191 -7.004 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.966 7.300 -6.550 1.00 0.00 N ATOM 0 H HIS A 104 9.862 2.314 -6.112 1.00 0.00 H new ATOM 0 HA HIS A 104 11.231 4.862 -6.388 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.171 3.633 -4.570 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.124 4.953 -3.922 1.00 0.00 H new ATOM 0 HD1 HIS A 104 7.640 4.119 -6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.628 7.492 -5.124 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.557 6.186 -7.710 1.00 0.00 H new ATOM 1642 N ASP A 105 12.170 2.532 -4.260 1.00 0.00 N ATOM 1643 CA ASP A 105 13.254 2.119 -3.371 1.00 0.00 C ATOM 1644 C ASP A 105 14.529 1.880 -4.174 1.00 0.00 C ATOM 1645 O ASP A 105 15.625 2.256 -3.757 1.00 0.00 O ATOM 1646 CB ASP A 105 12.875 0.833 -2.625 1.00 0.00 C ATOM 1647 CG ASP A 105 13.341 0.919 -1.174 1.00 0.00 C ATOM 1648 OD1 ASP A 105 14.357 1.550 -0.933 1.00 0.00 O ATOM 1649 OD2 ASP A 105 12.675 0.350 -0.324 1.00 0.00 O ATOM 0 H ASP A 105 11.461 1.818 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 105 13.425 2.915 -2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.796 0.685 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.331 -0.029 -3.112 1.00 0.00 H new ATOM 1654 N ASN A 106 14.370 1.252 -5.336 1.00 0.00 N ATOM 1655 CA ASN A 106 15.509 0.964 -6.206 1.00 0.00 C ATOM 1656 C ASN A 106 16.523 0.071 -5.492 1.00 0.00 C ATOM 1657 O ASN A 106 17.621 0.504 -5.140 1.00 0.00 O ATOM 1658 CB ASN A 106 16.192 2.265 -6.639 1.00 0.00 C ATOM 1659 CG ASN A 106 16.903 2.048 -7.970 1.00 0.00 C ATOM 1660 OD1 ASN A 106 16.397 1.343 -8.843 1.00 0.00 O ATOM 1661 ND2 ASN A 106 18.058 2.618 -8.179 1.00 0.00 N ATOM 0 H ASN A 106 13.470 0.934 -5.696 1.00 0.00 H new ATOM 0 HA ASN A 106 15.136 0.442 -7.087 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.454 3.061 -6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 106 16.907 2.583 -5.880 1.00 0.00 H new ATOM 0 HD21 ASN A 106 18.542 2.479 -9.066 1.00 0.00 H new ATOM 0 HD22 ASN A 106 18.477 3.202 -7.455 1.00 0.00 H new ATOM 1668 N ARG A 107 16.139 -1.191 -5.291 1.00 0.00 N ATOM 1669 CA ARG A 107 17.010 -2.165 -4.623 1.00 0.00 C ATOM 1670 C ARG A 107 17.194 -1.807 -3.150 1.00 0.00 C ATOM 1671 O ARG A 107 16.692 -2.498 -2.264 1.00 0.00 O ATOM 1672 CB ARG A 107 18.386 -2.229 -5.307 1.00 0.00 C ATOM 1673 CG ARG A 107 18.864 -3.682 -5.376 1.00 0.00 C ATOM 1674 CD ARG A 107 19.767 -3.863 -6.597 1.00 0.00 C ATOM 1675 NE ARG A 107 20.321 -5.214 -6.632 1.00 0.00 N ATOM 1676 CZ ARG A 107 20.870 -5.699 -7.742 1.00 0.00 C ATOM 1677 NH1 ARG A 107 20.111 -6.063 -8.740 1.00 0.00 N ATOM 1678 NH2 ARG A 107 22.167 -5.813 -7.833 1.00 0.00 N ATOM 0 H ARG A 107 15.234 -1.563 -5.579 1.00 0.00 H new ATOM 0 HA ARG A 107 16.530 -3.141 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 107 18.323 -1.809 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.106 -1.626 -4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 107 19.407 -3.941 -4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 107 18.009 -4.355 -5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.198 -3.674 -7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 107 20.576 -3.133 -6.569 1.00 0.00 H new ATOM 0 HE ARG A 107 20.286 -5.794 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 107 19.097 -5.975 -8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 107 20.532 -6.435 -9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 107 22.760 -5.530 -7.053 1.00 0.00 H new ATOM 0 HH22 ARG A 107 22.588 -6.185 -8.684 1.00 0.00 H new ATOM 1692 N SER A 108 17.921 -0.720 -2.896 1.00 0.00 N ATOM 1693 CA SER A 108 18.167 -0.279 -1.524 1.00 0.00 C ATOM 1694 C SER A 108 18.915 -1.355 -0.741 1.00 0.00 C ATOM 1695 O SER A 108 19.212 -1.118 0.417 1.00 0.00 O ATOM 1696 CB SER A 108 16.847 0.031 -0.814 1.00 0.00 C ATOM 1697 OG SER A 108 17.028 1.147 0.047 1.00 0.00 O ATOM 1698 OXT SER A 108 19.180 -2.399 -1.314 1.00 0.00 O ATOM 0 H SER A 108 18.346 -0.134 -3.614 1.00 0.00 H new ATOM 0 HA SER A 108 18.775 0.625 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 108 16.068 0.244 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 108 16.517 -0.835 -0.241 1.00 0.00 H new ATOM 0 HG SER A 108 17.816 1.001 0.611 1.00 0.00 H new TER 1704 SER A 108