USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0357) USER MOD Set 1.2: A 41 MET CE :methyl -160:sc= -4.53! (180deg=-5.89!) USER MOD Set 1.3: A 51 GLN : amide:sc=-0.00576 X(o=-4.5,f=-5) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.259 X(o=-0.37,f=-0.58) USER MOD Set 2.2: A 18 SER OG : rot 180:sc= -0.108 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 0.131 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.476 K(o=-0.48,f=-3.3!) USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= 0.224 (180deg=-1.44!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -58:sc= 0.25 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 47:sc= 0.00737 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.0332 (180deg=-0.279) USER MOD Single : A 61 ASN : amide:sc= -4.59! C(o=-4.6!,f=-5.7!) USER MOD Single : A 63 SER OG : rot 29:sc= 0.796 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0167) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 28:sc= 0.577 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.571 -10.780 -26.078 1.00 0.00 N ATOM 2 CA GLY A 1 13.809 -10.830 -24.647 1.00 0.00 C ATOM 3 C GLY A 1 12.968 -9.825 -23.884 1.00 0.00 C ATOM 4 O GLY A 1 13.493 -9.037 -23.098 1.00 0.00 O ATOM 0 H1 GLY A 1 14.169 -11.485 -26.554 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.570 -10.988 -26.271 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.803 -9.831 -26.436 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.592 -11.833 -24.281 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.864 -10.640 -24.450 1.00 0.00 H new ATOM 8 N SER A 2 11.660 -9.852 -24.118 1.00 0.00 N ATOM 9 CA SER A 2 10.746 -8.932 -23.451 1.00 0.00 C ATOM 10 C SER A 2 10.193 -9.550 -22.169 1.00 0.00 C ATOM 11 O SER A 2 9.915 -10.748 -22.114 1.00 0.00 O ATOM 12 CB SER A 2 9.595 -8.556 -24.386 1.00 0.00 C ATOM 13 OG SER A 2 8.726 -7.619 -23.774 1.00 0.00 O ATOM 0 H SER A 2 11.210 -10.500 -24.764 1.00 0.00 H new ATOM 0 HA SER A 2 11.302 -8.032 -23.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.995 -8.137 -25.309 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.036 -9.451 -24.658 1.00 0.00 H new ATOM 0 HG SER A 2 8.000 -7.394 -24.392 1.00 0.00 H new ATOM 19 N SER A 3 10.038 -8.723 -21.141 1.00 0.00 N ATOM 20 CA SER A 3 9.523 -9.187 -19.858 1.00 0.00 C ATOM 21 C SER A 3 8.165 -8.559 -19.559 1.00 0.00 C ATOM 22 O SER A 3 7.879 -7.439 -19.982 1.00 0.00 O ATOM 23 CB SER A 3 10.509 -8.853 -18.737 1.00 0.00 C ATOM 24 OG SER A 3 11.702 -9.608 -18.866 1.00 0.00 O ATOM 0 H SER A 3 10.262 -7.728 -21.171 1.00 0.00 H new ATOM 0 HA SER A 3 9.400 -10.269 -19.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.744 -7.789 -18.760 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.048 -9.057 -17.770 1.00 0.00 H new ATOM 0 HG SER A 3 12.317 -9.375 -18.139 1.00 0.00 H new ATOM 30 N GLY A 4 7.330 -9.289 -18.825 1.00 0.00 N ATOM 31 CA GLY A 4 6.012 -8.789 -18.481 1.00 0.00 C ATOM 32 C GLY A 4 4.996 -9.901 -18.313 1.00 0.00 C ATOM 33 O GLY A 4 5.257 -11.050 -18.670 1.00 0.00 O ATOM 0 H GLY A 4 7.543 -10.218 -18.463 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.074 -8.215 -17.556 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.672 -8.105 -19.258 1.00 0.00 H new ATOM 37 N SER A 5 3.833 -9.560 -17.766 1.00 0.00 N ATOM 38 CA SER A 5 2.776 -10.540 -17.546 1.00 0.00 C ATOM 39 C SER A 5 1.422 -9.853 -17.394 1.00 0.00 C ATOM 40 O SER A 5 1.333 -8.625 -17.394 1.00 0.00 O ATOM 41 CB SER A 5 3.078 -11.377 -16.302 1.00 0.00 C ATOM 42 OG SER A 5 3.040 -10.581 -15.130 1.00 0.00 O ATOM 0 H SER A 5 3.599 -8.613 -17.467 1.00 0.00 H new ATOM 0 HA SER A 5 2.736 -11.196 -18.415 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.352 -12.186 -16.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.061 -11.839 -16.400 1.00 0.00 H new ATOM 0 HG SER A 5 3.235 -11.140 -14.349 1.00 0.00 H new ATOM 48 N SER A 6 0.370 -10.654 -17.265 1.00 0.00 N ATOM 49 CA SER A 6 -0.981 -10.125 -17.116 1.00 0.00 C ATOM 50 C SER A 6 -1.538 -10.439 -15.731 1.00 0.00 C ATOM 51 O SER A 6 -0.976 -11.246 -14.992 1.00 0.00 O ATOM 52 CB SER A 6 -1.901 -10.706 -18.192 1.00 0.00 C ATOM 53 OG SER A 6 -1.694 -10.066 -19.439 1.00 0.00 O ATOM 0 H SER A 6 0.427 -11.672 -17.261 1.00 0.00 H new ATOM 0 HA SER A 6 -0.935 -9.042 -17.233 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.717 -11.776 -18.294 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.941 -10.589 -17.888 1.00 0.00 H new ATOM 0 HG SER A 6 -2.292 -10.456 -20.110 1.00 0.00 H new ATOM 59 N GLY A 7 -2.648 -9.794 -15.386 1.00 0.00 N ATOM 60 CA GLY A 7 -3.264 -10.018 -14.091 1.00 0.00 C ATOM 61 C GLY A 7 -4.757 -10.257 -14.192 1.00 0.00 C ATOM 62 O GLY A 7 -5.416 -9.744 -15.096 1.00 0.00 O ATOM 0 H GLY A 7 -3.132 -9.120 -15.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.793 -10.877 -13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.080 -9.155 -13.451 1.00 0.00 H new ATOM 66 N LYS A 8 -5.293 -11.041 -13.263 1.00 0.00 N ATOM 67 CA LYS A 8 -6.718 -11.350 -13.250 1.00 0.00 C ATOM 68 C LYS A 8 -7.383 -10.800 -11.992 1.00 0.00 C ATOM 69 O LYS A 8 -7.112 -11.263 -10.883 1.00 0.00 O ATOM 70 CB LYS A 8 -6.934 -12.863 -13.335 1.00 0.00 C ATOM 71 CG LYS A 8 -6.338 -13.493 -14.581 1.00 0.00 C ATOM 72 CD LYS A 8 -6.037 -14.968 -14.371 1.00 0.00 C ATOM 73 CE LYS A 8 -4.628 -15.179 -13.838 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.277 -16.624 -13.754 1.00 0.00 N ATOM 0 H LYS A 8 -4.761 -11.475 -12.508 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.175 -10.875 -14.118 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.496 -13.334 -12.455 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.004 -13.071 -13.309 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.030 -13.377 -15.415 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.422 -12.969 -14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.759 -15.392 -13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.154 -15.502 -15.314 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.915 -14.669 -14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.542 -14.726 -12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.309 -16.725 -13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.942 -17.106 -13.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.334 -17.051 -14.701 1.00 0.00 H new ATOM 88 N ARG A 9 -8.254 -9.813 -12.171 1.00 0.00 N ATOM 89 CA ARG A 9 -8.957 -9.201 -11.050 1.00 0.00 C ATOM 90 C ARG A 9 -9.986 -8.188 -11.542 1.00 0.00 C ATOM 91 O ARG A 9 -9.634 -7.178 -12.151 1.00 0.00 O ATOM 92 CB ARG A 9 -7.963 -8.519 -10.108 1.00 0.00 C ATOM 93 CG ARG A 9 -8.571 -8.105 -8.778 1.00 0.00 C ATOM 94 CD ARG A 9 -7.512 -7.575 -7.823 1.00 0.00 C ATOM 95 NE ARG A 9 -6.601 -8.625 -7.378 1.00 0.00 N ATOM 96 CZ ARG A 9 -5.495 -8.965 -8.031 1.00 0.00 C ATOM 97 NH1 ARG A 9 -5.166 -8.340 -9.153 1.00 0.00 N ATOM 98 NH2 ARG A 9 -4.717 -9.932 -7.562 1.00 0.00 N ATOM 0 H ARG A 9 -8.490 -9.420 -13.082 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.479 -9.989 -10.507 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.129 -9.196 -9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.554 -7.637 -10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.328 -7.339 -8.945 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.076 -8.959 -8.326 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.943 -6.786 -8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.998 -7.125 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.826 -9.125 -6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.762 -7.597 -9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.316 -8.603 -9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.968 -10.415 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.868 -10.192 -8.064 1.00 0.00 H new ATOM 112 N GLN A 10 -11.258 -8.465 -11.273 1.00 0.00 N ATOM 113 CA GLN A 10 -12.337 -7.578 -11.689 1.00 0.00 C ATOM 114 C GLN A 10 -13.293 -7.303 -10.533 1.00 0.00 C ATOM 115 O GLN A 10 -14.305 -7.986 -10.373 1.00 0.00 O ATOM 116 CB GLN A 10 -13.103 -8.188 -12.864 1.00 0.00 C ATOM 117 CG GLN A 10 -14.147 -7.258 -13.459 1.00 0.00 C ATOM 118 CD GLN A 10 -14.887 -7.881 -14.627 1.00 0.00 C ATOM 119 OE1 GLN A 10 -14.400 -7.878 -15.758 1.00 0.00 O ATOM 120 NE2 GLN A 10 -16.071 -8.420 -14.358 1.00 0.00 N ATOM 0 H GLN A 10 -11.566 -9.297 -10.769 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.894 -6.633 -12.003 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.394 -8.469 -13.642 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.592 -9.104 -12.532 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.864 -6.981 -12.686 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.663 -6.339 -13.789 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.436 -8.400 -13.406 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.615 -8.854 -15.104 1.00 0.00 H new ATOM 129 N LYS A 11 -12.964 -6.299 -9.726 1.00 0.00 N ATOM 130 CA LYS A 11 -13.793 -5.932 -8.584 1.00 0.00 C ATOM 131 C LYS A 11 -14.243 -4.478 -8.683 1.00 0.00 C ATOM 132 O LYS A 11 -13.523 -3.631 -9.211 1.00 0.00 O ATOM 133 CB LYS A 11 -13.024 -6.152 -7.279 1.00 0.00 C ATOM 134 CG LYS A 11 -13.086 -7.581 -6.769 1.00 0.00 C ATOM 135 CD LYS A 11 -12.092 -8.475 -7.491 1.00 0.00 C ATOM 136 CE LYS A 11 -12.455 -9.944 -7.344 1.00 0.00 C ATOM 137 NZ LYS A 11 -13.510 -10.354 -8.312 1.00 0.00 N ATOM 0 H LYS A 11 -12.129 -5.725 -9.842 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.678 -6.568 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.981 -5.874 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.423 -5.485 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.879 -7.596 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.094 -7.973 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.064 -8.210 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.092 -8.305 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.565 -10.555 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.801 -10.133 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.366 -10.637 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.734 -9.556 -8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.168 -11.156 -8.879 1.00 0.00 H new ATOM 151 N ILE A 12 -15.437 -4.197 -8.172 1.00 0.00 N ATOM 152 CA ILE A 12 -15.980 -2.845 -8.201 1.00 0.00 C ATOM 153 C ILE A 12 -16.569 -2.460 -6.848 1.00 0.00 C ATOM 154 O ILE A 12 -17.171 -3.288 -6.162 1.00 0.00 O ATOM 155 CB ILE A 12 -17.068 -2.699 -9.282 1.00 0.00 C ATOM 156 CG1 ILE A 12 -17.555 -1.250 -9.352 1.00 0.00 C ATOM 157 CG2 ILE A 12 -18.228 -3.641 -8.997 1.00 0.00 C ATOM 158 CD1 ILE A 12 -16.656 -0.349 -10.169 1.00 0.00 C ATOM 0 H ILE A 12 -16.046 -4.887 -7.733 1.00 0.00 H new ATOM 0 HA ILE A 12 -15.152 -2.177 -8.437 1.00 0.00 H new ATOM 0 HB ILE A 12 -16.639 -2.966 -10.248 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -18.558 -1.233 -9.779 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -17.632 -0.852 -8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -18.988 -3.526 -9.769 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -17.868 -4.670 -8.992 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -18.660 -3.403 -8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -17.063 0.662 -10.175 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -15.658 -0.336 -9.731 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -16.598 -0.723 -11.191 1.00 0.00 H new ATOM 170 N HIS A 13 -16.393 -1.198 -6.469 1.00 0.00 N ATOM 171 CA HIS A 13 -16.910 -0.702 -5.199 1.00 0.00 C ATOM 172 C HIS A 13 -17.682 0.599 -5.397 1.00 0.00 C ATOM 173 O HIS A 13 -17.347 1.406 -6.265 1.00 0.00 O ATOM 174 CB HIS A 13 -15.765 -0.484 -4.209 1.00 0.00 C ATOM 175 CG HIS A 13 -16.205 0.107 -2.905 1.00 0.00 C ATOM 176 ND1 HIS A 13 -17.217 -0.431 -2.139 1.00 0.00 N ATOM 177 CD2 HIS A 13 -15.762 1.195 -2.232 1.00 0.00 C ATOM 178 CE1 HIS A 13 -17.379 0.301 -1.051 1.00 0.00 C ATOM 179 NE2 HIS A 13 -16.509 1.294 -1.083 1.00 0.00 N ATOM 0 H HIS A 13 -15.896 -0.501 -7.023 1.00 0.00 H new ATOM 0 HA HIS A 13 -17.592 -1.450 -4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -15.274 -1.438 -4.019 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -15.022 0.172 -4.664 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -14.970 1.861 -2.541 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -18.100 0.118 -0.268 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.408 2.017 -0.371 1.00 0.00 H new ATOM 187 N LEU A 14 -18.717 0.796 -4.587 1.00 0.00 N ATOM 188 CA LEU A 14 -19.538 1.999 -4.674 1.00 0.00 C ATOM 189 C LEU A 14 -18.667 3.251 -4.701 1.00 0.00 C ATOM 190 O LEU A 14 -18.779 4.077 -5.606 1.00 0.00 O ATOM 191 CB LEU A 14 -20.508 2.064 -3.493 1.00 0.00 C ATOM 192 CG LEU A 14 -21.845 1.346 -3.682 1.00 0.00 C ATOM 193 CD1 LEU A 14 -21.658 -0.161 -3.595 1.00 0.00 C ATOM 194 CD2 LEU A 14 -22.856 1.821 -2.650 1.00 0.00 C ATOM 0 H LEU A 14 -19.007 0.139 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 14 -20.108 1.955 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -20.013 1.643 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -20.709 3.112 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 14 -22.228 1.587 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.620 -0.655 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -20.968 -0.488 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -21.252 -0.421 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -23.801 1.299 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.480 1.611 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -23.012 2.894 -2.761 1.00 0.00 H new ATOM 206 N GLY A 15 -17.799 3.384 -3.704 1.00 0.00 N ATOM 207 CA GLY A 15 -16.920 4.537 -3.633 1.00 0.00 C ATOM 208 C GLY A 15 -16.281 4.861 -4.969 1.00 0.00 C ATOM 209 O GLY A 15 -15.569 4.035 -5.541 1.00 0.00 O ATOM 0 H GLY A 15 -17.688 2.714 -2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.486 5.401 -3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.139 4.350 -2.896 1.00 0.00 H new ATOM 213 N ASP A 16 -16.536 6.065 -5.469 1.00 0.00 N ATOM 214 CA ASP A 16 -15.981 6.496 -6.746 1.00 0.00 C ATOM 215 C ASP A 16 -14.584 7.080 -6.562 1.00 0.00 C ATOM 216 O ASP A 16 -14.203 8.031 -7.244 1.00 0.00 O ATOM 217 CB ASP A 16 -16.897 7.532 -7.401 1.00 0.00 C ATOM 218 CG ASP A 16 -17.940 6.896 -8.300 1.00 0.00 C ATOM 219 OD1 ASP A 16 -18.372 5.763 -7.999 1.00 0.00 O ATOM 220 OD2 ASP A 16 -18.325 7.532 -9.303 1.00 0.00 O ATOM 0 H ASP A 16 -17.124 6.760 -5.009 1.00 0.00 H new ATOM 0 HA ASP A 16 -15.908 5.623 -7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.396 8.114 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.295 8.228 -7.984 1.00 0.00 H new ATOM 225 N ARG A 17 -13.825 6.503 -5.637 1.00 0.00 N ATOM 226 CA ARG A 17 -12.470 6.967 -5.362 1.00 0.00 C ATOM 227 C ARG A 17 -11.463 5.831 -5.521 1.00 0.00 C ATOM 228 O ARG A 17 -10.428 5.993 -6.168 1.00 0.00 O ATOM 229 CB ARG A 17 -12.383 7.544 -3.948 1.00 0.00 C ATOM 230 CG ARG A 17 -12.962 8.944 -3.825 1.00 0.00 C ATOM 231 CD ARG A 17 -14.442 8.907 -3.477 1.00 0.00 C ATOM 232 NE ARG A 17 -15.001 10.247 -3.320 1.00 0.00 N ATOM 233 CZ ARG A 17 -15.430 10.989 -4.335 1.00 0.00 C ATOM 234 NH1 ARG A 17 -15.364 10.523 -5.575 1.00 0.00 N ATOM 235 NH2 ARG A 17 -15.926 12.199 -4.111 1.00 0.00 N ATOM 0 H ARG A 17 -14.125 5.713 -5.065 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.228 7.748 -6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.909 6.881 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.339 7.563 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.420 9.497 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.821 9.481 -4.763 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.985 8.377 -4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.583 8.345 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.066 10.635 -2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.983 9.593 -5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.694 11.094 -6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.978 12.560 -3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.255 12.768 -4.891 1.00 0.00 H new ATOM 249 N SER A 18 -11.775 4.684 -4.928 1.00 0.00 N ATOM 250 CA SER A 18 -10.896 3.522 -5.001 1.00 0.00 C ATOM 251 C SER A 18 -10.297 3.381 -6.397 1.00 0.00 C ATOM 252 O SER A 18 -11.021 3.331 -7.391 1.00 0.00 O ATOM 253 CB SER A 18 -11.663 2.251 -4.631 1.00 0.00 C ATOM 254 OG SER A 18 -12.327 2.400 -3.388 1.00 0.00 O ATOM 0 H SER A 18 -12.629 4.534 -4.392 1.00 0.00 H new ATOM 0 HA SER A 18 -10.083 3.667 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.390 2.021 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.974 1.408 -4.580 1.00 0.00 H new ATOM 0 HG SER A 18 -12.811 1.575 -3.175 1.00 0.00 H new ATOM 260 N GLN A 19 -8.971 3.317 -6.462 1.00 0.00 N ATOM 261 CA GLN A 19 -8.275 3.182 -7.736 1.00 0.00 C ATOM 262 C GLN A 19 -7.364 1.959 -7.731 1.00 0.00 C ATOM 263 O GLN A 19 -6.800 1.595 -6.699 1.00 0.00 O ATOM 264 CB GLN A 19 -7.457 4.441 -8.030 1.00 0.00 C ATOM 265 CG GLN A 19 -6.833 4.451 -9.416 1.00 0.00 C ATOM 266 CD GLN A 19 -7.844 4.736 -10.509 1.00 0.00 C ATOM 267 OE1 GLN A 19 -8.840 4.026 -10.649 1.00 0.00 O ATOM 268 NE2 GLN A 19 -7.593 5.780 -11.290 1.00 0.00 N ATOM 0 H GLN A 19 -8.358 3.356 -5.648 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.023 3.052 -8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.100 5.315 -7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.667 4.534 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.045 5.203 -9.450 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.361 3.487 -9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.755 6.341 -11.138 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.238 6.021 -12.042 1.00 0.00 H new ATOM 277 N LYS A 20 -7.223 1.328 -8.892 1.00 0.00 N ATOM 278 CA LYS A 20 -6.380 0.145 -9.023 1.00 0.00 C ATOM 279 C LYS A 20 -4.964 0.531 -9.437 1.00 0.00 C ATOM 280 O LYS A 20 -4.708 0.837 -10.602 1.00 0.00 O ATOM 281 CB LYS A 20 -6.978 -0.821 -10.048 1.00 0.00 C ATOM 282 CG LYS A 20 -6.346 -2.202 -10.022 1.00 0.00 C ATOM 283 CD LYS A 20 -6.660 -2.983 -11.287 1.00 0.00 C ATOM 284 CE LYS A 20 -6.687 -4.481 -11.026 1.00 0.00 C ATOM 285 NZ LYS A 20 -8.040 -4.948 -10.616 1.00 0.00 N ATOM 0 H LYS A 20 -7.682 1.616 -9.756 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.334 -0.349 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.048 -0.917 -9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.863 -0.397 -11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.266 -2.107 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.708 -2.753 -9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.624 -2.664 -11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.913 -2.759 -12.049 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.377 -5.012 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.966 -4.727 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.994 -5.346 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.702 -4.146 -10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.371 -5.678 -11.279 1.00 0.00 H new ATOM 299 N CYS A 21 -4.045 0.511 -8.477 1.00 0.00 N ATOM 300 CA CYS A 21 -2.654 0.858 -8.742 1.00 0.00 C ATOM 301 C CYS A 21 -2.164 0.195 -10.026 1.00 0.00 C ATOM 302 O CYS A 21 -2.707 -0.820 -10.460 1.00 0.00 O ATOM 303 CB CYS A 21 -1.769 0.435 -7.567 1.00 0.00 C ATOM 304 SG CYS A 21 0.003 0.778 -7.811 1.00 0.00 S ATOM 0 H CYS A 21 -4.239 0.258 -7.508 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.592 1.939 -8.865 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.107 0.949 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.901 -0.633 -7.392 1.00 0.00 H new ATOM 309 N SER A 22 -1.132 0.778 -10.629 1.00 0.00 N ATOM 310 CA SER A 22 -0.570 0.248 -11.866 1.00 0.00 C ATOM 311 C SER A 22 0.750 -0.469 -11.599 1.00 0.00 C ATOM 312 O SER A 22 1.095 -1.435 -12.280 1.00 0.00 O ATOM 313 CB SER A 22 -0.357 1.374 -12.879 1.00 0.00 C ATOM 314 OG SER A 22 0.223 0.882 -14.074 1.00 0.00 O ATOM 0 H SER A 22 -0.668 1.617 -10.281 1.00 0.00 H new ATOM 0 HA SER A 22 -1.277 -0.471 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.311 1.851 -13.104 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.288 2.139 -12.447 1.00 0.00 H new ATOM 0 HG SER A 22 0.347 1.621 -14.706 1.00 0.00 H new ATOM 320 N LYS A 23 1.485 0.011 -10.602 1.00 0.00 N ATOM 321 CA LYS A 23 2.767 -0.582 -10.241 1.00 0.00 C ATOM 322 C LYS A 23 2.590 -2.029 -9.792 1.00 0.00 C ATOM 323 O LYS A 23 3.142 -2.949 -10.397 1.00 0.00 O ATOM 324 CB LYS A 23 3.434 0.230 -9.129 1.00 0.00 C ATOM 325 CG LYS A 23 4.715 -0.394 -8.604 1.00 0.00 C ATOM 326 CD LYS A 23 5.931 0.102 -9.369 1.00 0.00 C ATOM 327 CE LYS A 23 7.223 -0.428 -8.765 1.00 0.00 C ATOM 328 NZ LYS A 23 7.764 0.487 -7.722 1.00 0.00 N ATOM 0 H LYS A 23 1.214 0.810 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 23 3.406 -0.569 -11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.654 1.230 -9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.731 0.346 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.829 -0.158 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.652 -1.479 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.860 -0.211 -10.411 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.946 1.192 -9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.044 -1.411 -8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.965 -0.560 -9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.565 0.030 -7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.085 1.370 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.020 0.701 -7.028 1.00 0.00 H new ATOM 342 N CYS A 24 1.817 -2.224 -8.730 1.00 0.00 N ATOM 343 CA CYS A 24 1.565 -3.559 -8.200 1.00 0.00 C ATOM 344 C CYS A 24 0.213 -4.085 -8.671 1.00 0.00 C ATOM 345 O CYS A 24 0.099 -5.226 -9.115 1.00 0.00 O ATOM 346 CB CYS A 24 1.614 -3.541 -6.671 1.00 0.00 C ATOM 347 SG CYS A 24 0.220 -2.664 -5.893 1.00 0.00 S ATOM 0 H CYS A 24 1.353 -1.473 -8.218 1.00 0.00 H new ATOM 0 HA CYS A 24 2.343 -4.224 -8.574 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.632 -4.568 -6.307 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.546 -3.074 -6.353 1.00 0.00 H new ATOM 352 N GLY A 25 -0.812 -3.243 -8.569 1.00 0.00 N ATOM 353 CA GLY A 25 -2.143 -3.641 -8.988 1.00 0.00 C ATOM 354 C GLY A 25 -3.075 -3.872 -7.815 1.00 0.00 C ATOM 355 O GLY A 25 -3.928 -4.759 -7.857 1.00 0.00 O ATOM 0 H GLY A 25 -0.744 -2.293 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.562 -2.871 -9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.076 -4.554 -9.580 1.00 0.00 H new ATOM 359 N ILE A 26 -2.912 -3.074 -6.766 1.00 0.00 N ATOM 360 CA ILE A 26 -3.745 -3.197 -5.576 1.00 0.00 C ATOM 361 C ILE A 26 -4.776 -2.075 -5.509 1.00 0.00 C ATOM 362 O ILE A 26 -4.606 -1.024 -6.128 1.00 0.00 O ATOM 363 CB ILE A 26 -2.898 -3.177 -4.291 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.726 -3.663 -3.100 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.360 -1.777 -4.032 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.951 -3.707 -1.802 1.00 0.00 C ATOM 0 H ILE A 26 -2.211 -2.335 -6.716 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.258 -4.156 -5.648 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.052 -3.852 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.589 -3.008 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.111 -4.659 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.763 -1.780 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.739 -1.465 -4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.192 -1.082 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.601 -4.061 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.103 -4.384 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.589 -2.708 -1.560 1.00 0.00 H new ATOM 378 N ILE A 27 -5.845 -2.306 -4.754 1.00 0.00 N ATOM 379 CA ILE A 27 -6.902 -1.314 -4.603 1.00 0.00 C ATOM 380 C ILE A 27 -6.617 -0.380 -3.432 1.00 0.00 C ATOM 381 O ILE A 27 -6.405 -0.828 -2.305 1.00 0.00 O ATOM 382 CB ILE A 27 -8.274 -1.981 -4.392 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.579 -2.945 -5.541 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.364 -0.925 -4.276 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.866 -2.249 -6.853 1.00 0.00 C ATOM 0 H ILE A 27 -6.002 -3.171 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.927 -0.736 -5.527 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.246 -2.550 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.732 -3.619 -5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.437 -3.561 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.328 -1.412 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.151 -0.274 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.394 -0.332 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.073 -2.993 -7.622 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.731 -1.596 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.000 -1.655 -7.147 1.00 0.00 H new ATOM 397 N PHE A 28 -6.616 0.920 -3.705 1.00 0.00 N ATOM 398 CA PHE A 28 -6.359 1.918 -2.673 1.00 0.00 C ATOM 399 C PHE A 28 -7.217 3.161 -2.893 1.00 0.00 C ATOM 400 O PHE A 28 -7.740 3.382 -3.985 1.00 0.00 O ATOM 401 CB PHE A 28 -4.878 2.302 -2.664 1.00 0.00 C ATOM 402 CG PHE A 28 -4.475 3.165 -3.825 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.085 2.596 -5.026 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.485 4.547 -3.715 1.00 0.00 C ATOM 405 CE1 PHE A 28 -3.714 3.387 -6.097 1.00 0.00 C ATOM 406 CE2 PHE A 28 -4.115 5.343 -4.782 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.728 4.763 -5.974 1.00 0.00 C ATOM 0 H PHE A 28 -6.790 1.308 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.621 1.483 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.653 2.827 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.275 1.394 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.071 1.521 -5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.785 5.006 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.414 2.930 -7.028 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.128 6.418 -4.684 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.437 5.384 -6.808 1.00 0.00 H new ATOM 417 N ILE A 29 -7.356 3.968 -1.847 1.00 0.00 N ATOM 418 CA ILE A 29 -8.149 5.189 -1.925 1.00 0.00 C ATOM 419 C ILE A 29 -7.275 6.392 -2.259 1.00 0.00 C ATOM 420 O ILE A 29 -6.604 6.946 -1.389 1.00 0.00 O ATOM 421 CB ILE A 29 -8.895 5.461 -0.605 1.00 0.00 C ATOM 422 CG1 ILE A 29 -9.824 4.293 -0.268 1.00 0.00 C ATOM 423 CG2 ILE A 29 -9.681 6.760 -0.698 1.00 0.00 C ATOM 424 CD1 ILE A 29 -10.865 4.023 -1.331 1.00 0.00 C ATOM 0 H ILE A 29 -6.930 3.799 -0.936 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.878 5.041 -2.721 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.161 5.560 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.225 3.394 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.326 4.500 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.202 6.938 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.997 7.586 -0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.407 6.689 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.488 3.182 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.488 4.907 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.370 3.784 -2.272 1.00 0.00 H new ATOM 436 N ARG A 30 -7.290 6.793 -3.526 1.00 0.00 N ATOM 437 CA ARG A 30 -6.499 7.932 -3.976 1.00 0.00 C ATOM 438 C ARG A 30 -6.779 9.162 -3.118 1.00 0.00 C ATOM 439 O ARG A 30 -7.933 9.537 -2.912 1.00 0.00 O ATOM 440 CB ARG A 30 -6.800 8.242 -5.444 1.00 0.00 C ATOM 441 CG ARG A 30 -6.444 7.108 -6.391 1.00 0.00 C ATOM 442 CD ARG A 30 -6.372 7.588 -7.833 1.00 0.00 C ATOM 443 NE ARG A 30 -7.694 7.674 -8.447 1.00 0.00 N ATOM 444 CZ ARG A 30 -8.481 8.740 -8.351 1.00 0.00 C ATOM 445 NH1 ARG A 30 -8.081 9.804 -7.669 1.00 0.00 N ATOM 446 NH2 ARG A 30 -9.671 8.742 -8.939 1.00 0.00 N ATOM 0 H ARG A 30 -7.841 6.346 -4.259 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.445 7.672 -3.875 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.860 8.472 -5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.250 9.136 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.485 6.678 -6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.187 6.315 -6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.892 8.566 -7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.747 6.907 -8.411 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.032 6.872 -8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.167 9.806 -7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.687 10.621 -7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.981 7.925 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.275 9.561 -8.865 1.00 0.00 H new ATOM 460 N ARG A 31 -5.716 9.785 -2.620 1.00 0.00 N ATOM 461 CA ARG A 31 -5.847 10.971 -1.783 1.00 0.00 C ATOM 462 C ARG A 31 -5.620 12.240 -2.598 1.00 0.00 C ATOM 463 O ARG A 31 -4.910 12.225 -3.604 1.00 0.00 O ATOM 464 CB ARG A 31 -4.854 10.914 -0.621 1.00 0.00 C ATOM 465 CG ARG A 31 -5.284 11.728 0.589 1.00 0.00 C ATOM 466 CD ARG A 31 -4.177 11.810 1.628 1.00 0.00 C ATOM 467 NE ARG A 31 -4.043 10.568 2.384 1.00 0.00 N ATOM 468 CZ ARG A 31 -4.856 10.220 3.376 1.00 0.00 C ATOM 469 NH1 ARG A 31 -5.855 11.017 3.728 1.00 0.00 N ATOM 470 NH2 ARG A 31 -4.670 9.073 4.017 1.00 0.00 N ATOM 0 H ARG A 31 -4.754 9.488 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.861 10.993 -1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.719 9.875 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.884 11.274 -0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.562 12.733 0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.171 11.278 1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.232 12.037 1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.384 12.631 2.314 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.284 9.933 2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.001 11.899 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.478 10.748 4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.902 8.457 3.748 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.295 8.807 4.778 1.00 0.00 H new ATOM 484 N SER A 32 -6.228 13.337 -2.158 1.00 0.00 N ATOM 485 CA SER A 32 -6.095 14.614 -2.849 1.00 0.00 C ATOM 486 C SER A 32 -4.641 15.073 -2.869 1.00 0.00 C ATOM 487 O SER A 32 -4.181 15.761 -1.956 1.00 0.00 O ATOM 488 CB SER A 32 -6.968 15.676 -2.176 1.00 0.00 C ATOM 489 OG SER A 32 -8.289 15.651 -2.690 1.00 0.00 O ATOM 0 H SER A 32 -6.818 13.367 -1.326 1.00 0.00 H new ATOM 0 HA SER A 32 -6.429 14.478 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.990 15.505 -1.100 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.532 16.663 -2.333 1.00 0.00 H new ATOM 0 HG SER A 32 -8.827 16.337 -2.243 1.00 0.00 H new ATOM 495 N THR A 33 -3.919 14.688 -3.917 1.00 0.00 N ATOM 496 CA THR A 33 -2.516 15.058 -4.056 1.00 0.00 C ATOM 497 C THR A 33 -2.112 15.138 -5.524 1.00 0.00 C ATOM 498 O THR A 33 -2.885 14.776 -6.412 1.00 0.00 O ATOM 499 CB THR A 33 -1.596 14.053 -3.336 1.00 0.00 C ATOM 500 OG1 THR A 33 -1.896 12.720 -3.764 1.00 0.00 O ATOM 501 CG2 THR A 33 -1.759 14.156 -1.827 1.00 0.00 C ATOM 0 H THR A 33 -4.283 14.120 -4.682 1.00 0.00 H new ATOM 0 HA THR A 33 -2.400 16.039 -3.596 1.00 0.00 H new ATOM 0 HB THR A 33 -0.563 14.292 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.836 12.519 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.100 13.437 -1.340 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.501 15.164 -1.501 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.793 13.941 -1.557 1.00 0.00 H new ATOM 509 N LEU A 34 -0.897 15.614 -5.773 1.00 0.00 N ATOM 510 CA LEU A 34 -0.389 15.742 -7.134 1.00 0.00 C ATOM 511 C LEU A 34 0.964 15.052 -7.278 1.00 0.00 C ATOM 512 O LEU A 34 1.163 14.234 -8.176 1.00 0.00 O ATOM 513 CB LEU A 34 -0.265 17.217 -7.518 1.00 0.00 C ATOM 514 CG LEU A 34 0.253 17.503 -8.927 1.00 0.00 C ATOM 515 CD1 LEU A 34 -0.854 17.311 -9.952 1.00 0.00 C ATOM 516 CD2 LEU A 34 0.822 18.912 -9.011 1.00 0.00 C ATOM 0 H LEU A 34 -0.245 15.918 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.097 15.257 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.245 17.683 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.399 17.703 -6.803 1.00 0.00 H new ATOM 0 HG LEU A 34 1.053 16.796 -9.149 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.467 17.519 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.215 16.283 -9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.675 17.993 -9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.186 19.098 -10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.043 19.634 -8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.645 19.015 -8.304 1.00 0.00 H new ATOM 528 N SER A 35 1.890 15.385 -6.385 1.00 0.00 N ATOM 529 CA SER A 35 3.225 14.799 -6.413 1.00 0.00 C ATOM 530 C SER A 35 3.806 14.839 -7.822 1.00 0.00 C ATOM 531 O SER A 35 4.409 13.870 -8.285 1.00 0.00 O ATOM 532 CB SER A 35 3.181 13.355 -5.907 1.00 0.00 C ATOM 533 OG SER A 35 4.422 12.978 -5.335 1.00 0.00 O ATOM 0 H SER A 35 1.740 16.058 -5.633 1.00 0.00 H new ATOM 0 HA SER A 35 3.868 15.387 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.388 13.250 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.938 12.684 -6.731 1.00 0.00 H new ATOM 0 HG SER A 35 4.368 12.052 -5.018 1.00 0.00 H new ATOM 539 N ARG A 36 3.620 15.967 -8.501 1.00 0.00 N ATOM 540 CA ARG A 36 4.125 16.134 -9.858 1.00 0.00 C ATOM 541 C ARG A 36 4.079 14.813 -10.621 1.00 0.00 C ATOM 542 O ARG A 36 5.035 14.447 -11.306 1.00 0.00 O ATOM 543 CB ARG A 36 5.557 16.670 -9.830 1.00 0.00 C ATOM 544 CG ARG A 36 6.570 15.675 -9.289 1.00 0.00 C ATOM 545 CD ARG A 36 7.875 16.357 -8.912 1.00 0.00 C ATOM 546 NE ARG A 36 8.417 17.149 -10.013 1.00 0.00 N ATOM 547 CZ ARG A 36 8.169 18.444 -10.179 1.00 0.00 C ATOM 548 NH1 ARG A 36 7.392 19.088 -9.319 1.00 0.00 N ATOM 549 NH2 ARG A 36 8.699 19.096 -11.206 1.00 0.00 N ATOM 0 H ARG A 36 3.123 16.778 -8.133 1.00 0.00 H new ATOM 0 HA ARG A 36 3.486 16.853 -10.371 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.848 16.958 -10.840 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.586 17.573 -9.220 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.156 15.171 -8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.763 14.907 -10.038 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.711 17.001 -8.048 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.604 15.604 -8.614 1.00 0.00 H new ATOM 0 HE ARG A 36 9.019 16.683 -10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.984 18.589 -8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.203 20.082 -9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.297 18.603 -11.869 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.508 20.090 -11.332 1.00 0.00 H new ATOM 563 N ARG A 37 2.963 14.103 -10.499 1.00 0.00 N ATOM 564 CA ARG A 37 2.794 12.823 -11.175 1.00 0.00 C ATOM 565 C ARG A 37 1.315 12.480 -11.330 1.00 0.00 C ATOM 566 O ARG A 37 0.489 12.857 -10.498 1.00 0.00 O ATOM 567 CB ARG A 37 3.507 11.713 -10.399 1.00 0.00 C ATOM 568 CG ARG A 37 3.319 10.331 -11.003 1.00 0.00 C ATOM 569 CD ARG A 37 4.519 9.437 -10.730 1.00 0.00 C ATOM 570 NE ARG A 37 5.696 9.856 -11.486 1.00 0.00 N ATOM 571 CZ ARG A 37 6.931 9.458 -11.202 1.00 0.00 C ATOM 572 NH1 ARG A 37 7.149 8.635 -10.186 1.00 0.00 N ATOM 573 NH2 ARG A 37 7.952 9.883 -11.937 1.00 0.00 N ATOM 0 H ARG A 37 2.162 14.393 -9.938 1.00 0.00 H new ATOM 0 HA ARG A 37 3.236 12.905 -12.168 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.572 11.939 -10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.140 11.705 -9.373 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.420 9.872 -10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.167 10.420 -12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.748 9.453 -9.664 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.270 8.407 -10.987 1.00 0.00 H new ATOM 0 HE ARG A 37 5.563 10.489 -12.275 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.367 8.306 -9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.099 8.331 -9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.788 10.516 -12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.900 9.577 -11.718 1.00 0.00 H new ATOM 587 N LYS A 38 0.987 11.765 -12.401 1.00 0.00 N ATOM 588 CA LYS A 38 -0.391 11.371 -12.666 1.00 0.00 C ATOM 589 C LYS A 38 -0.498 9.862 -12.859 1.00 0.00 C ATOM 590 O LYS A 38 -1.184 9.388 -13.766 1.00 0.00 O ATOM 591 CB LYS A 38 -0.921 12.094 -13.906 1.00 0.00 C ATOM 592 CG LYS A 38 0.013 12.014 -15.101 1.00 0.00 C ATOM 593 CD LYS A 38 -0.263 10.780 -15.944 1.00 0.00 C ATOM 594 CE LYS A 38 0.362 10.897 -17.326 1.00 0.00 C ATOM 595 NZ LYS A 38 0.610 9.562 -17.937 1.00 0.00 N ATOM 0 H LYS A 38 1.658 11.446 -13.100 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.995 11.653 -11.804 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.886 11.668 -14.180 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.094 13.142 -13.660 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.102 12.908 -15.714 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.047 11.996 -14.755 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.131 9.898 -15.439 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.339 10.638 -16.041 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.295 11.477 -17.974 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.302 11.444 -17.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.036 9.685 -18.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.257 9.018 -17.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.290 9.050 -18.029 1.00 0.00 H new ATOM 609 N THR A 39 0.185 9.109 -12.002 1.00 0.00 N ATOM 610 CA THR A 39 0.167 7.654 -12.078 1.00 0.00 C ATOM 611 C THR A 39 -0.453 7.045 -10.826 1.00 0.00 C ATOM 612 O THR A 39 -0.170 7.457 -9.701 1.00 0.00 O ATOM 613 CB THR A 39 1.585 7.084 -12.265 1.00 0.00 C ATOM 614 OG1 THR A 39 2.181 7.630 -13.447 1.00 0.00 O ATOM 615 CG2 THR A 39 1.549 5.566 -12.363 1.00 0.00 C ATOM 0 H THR A 39 0.758 9.484 -11.246 1.00 0.00 H new ATOM 0 HA THR A 39 -0.440 7.390 -12.944 1.00 0.00 H new ATOM 0 HB THR A 39 2.182 7.362 -11.397 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.083 7.264 -13.558 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.562 5.186 -12.495 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.122 5.152 -11.449 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.937 5.271 -13.215 1.00 0.00 H new ATOM 623 N PRO A 40 -1.320 6.041 -11.022 1.00 0.00 N ATOM 624 CA PRO A 40 -1.998 5.353 -9.919 1.00 0.00 C ATOM 625 C PRO A 40 -1.041 4.497 -9.096 1.00 0.00 C ATOM 626 O PRO A 40 -0.739 3.361 -9.461 1.00 0.00 O ATOM 627 CB PRO A 40 -3.027 4.471 -10.630 1.00 0.00 C ATOM 628 CG PRO A 40 -2.459 4.245 -11.989 1.00 0.00 C ATOM 629 CD PRO A 40 -1.706 5.499 -12.336 1.00 0.00 C ATOM 0 HA PRO A 40 -2.436 6.054 -9.209 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.174 3.529 -10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.999 4.962 -10.684 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.798 3.378 -11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.249 4.050 -12.715 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.834 5.286 -12.954 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.328 6.200 -12.893 1.00 0.00 H new ATOM 637 N MET A 41 -0.569 5.049 -7.983 1.00 0.00 N ATOM 638 CA MET A 41 0.352 4.335 -7.107 1.00 0.00 C ATOM 639 C MET A 41 -0.220 4.215 -5.698 1.00 0.00 C ATOM 640 O MET A 41 -0.537 5.218 -5.058 1.00 0.00 O ATOM 641 CB MET A 41 1.704 5.049 -7.062 1.00 0.00 C ATOM 642 CG MET A 41 2.674 4.584 -8.136 1.00 0.00 C ATOM 643 SD MET A 41 4.398 4.777 -7.647 1.00 0.00 S ATOM 644 CE MET A 41 5.065 3.183 -8.120 1.00 0.00 C ATOM 0 H MET A 41 -0.809 5.988 -7.667 1.00 0.00 H new ATOM 0 HA MET A 41 0.492 3.332 -7.510 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.543 6.122 -7.170 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.156 4.891 -6.083 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.481 3.536 -8.365 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.495 5.149 -9.051 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.995 3.004 -7.581 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.347 2.401 -7.874 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.259 3.174 -9.193 1.00 0.00 H new ATOM 654 N CYS A 42 -0.351 2.981 -5.221 1.00 0.00 N ATOM 655 CA CYS A 42 -0.886 2.730 -3.888 1.00 0.00 C ATOM 656 C CYS A 42 0.018 3.331 -2.816 1.00 0.00 C ATOM 657 O CYS A 42 1.213 3.527 -3.037 1.00 0.00 O ATOM 658 CB CYS A 42 -1.042 1.226 -3.654 1.00 0.00 C ATOM 659 SG CYS A 42 0.498 0.277 -3.867 1.00 0.00 S ATOM 0 H CYS A 42 -0.094 2.140 -5.738 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.864 3.206 -3.821 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.420 1.063 -2.645 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.793 0.838 -4.342 1.00 0.00 H new ATOM 664 N GLU A 43 -0.561 3.622 -1.656 1.00 0.00 N ATOM 665 CA GLU A 43 0.192 4.202 -0.550 1.00 0.00 C ATOM 666 C GLU A 43 1.460 3.398 -0.276 1.00 0.00 C ATOM 667 O GLU A 43 2.394 3.888 0.360 1.00 0.00 O ATOM 668 CB GLU A 43 -0.672 4.259 0.711 1.00 0.00 C ATOM 669 CG GLU A 43 -1.183 2.900 1.160 1.00 0.00 C ATOM 670 CD GLU A 43 -2.162 2.998 2.314 1.00 0.00 C ATOM 671 OE1 GLU A 43 -1.879 3.748 3.272 1.00 0.00 O ATOM 672 OE2 GLU A 43 -3.212 2.324 2.259 1.00 0.00 O ATOM 0 H GLU A 43 -1.549 3.466 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 43 0.478 5.216 -0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.092 4.705 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.523 4.916 0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.666 2.402 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.338 2.278 1.457 1.00 0.00 H new ATOM 679 N LYS A 44 1.485 2.161 -0.758 1.00 0.00 N ATOM 680 CA LYS A 44 2.637 1.287 -0.567 1.00 0.00 C ATOM 681 C LYS A 44 3.712 1.568 -1.612 1.00 0.00 C ATOM 682 O LYS A 44 4.903 1.592 -1.301 1.00 0.00 O ATOM 683 CB LYS A 44 2.208 -0.180 -0.642 1.00 0.00 C ATOM 684 CG LYS A 44 3.373 -1.155 -0.638 1.00 0.00 C ATOM 685 CD LYS A 44 3.888 -1.403 0.771 1.00 0.00 C ATOM 686 CE LYS A 44 5.361 -1.781 0.767 1.00 0.00 C ATOM 687 NZ LYS A 44 5.991 -1.568 2.099 1.00 0.00 N ATOM 0 H LYS A 44 0.720 1.740 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 44 3.054 1.487 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.556 -0.403 0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.621 -0.332 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.060 -2.099 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.179 -0.762 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.743 -0.508 1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.308 -2.200 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.467 -2.827 0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.886 -1.188 0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.995 -1.837 2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.913 -0.565 2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.506 -2.153 2.810 1.00 0.00 H new ATOM 701 N CYS A 45 3.285 1.781 -2.852 1.00 0.00 N ATOM 702 CA CYS A 45 4.210 2.061 -3.943 1.00 0.00 C ATOM 703 C CYS A 45 4.668 3.516 -3.907 1.00 0.00 C ATOM 704 O CYS A 45 5.866 3.801 -3.908 1.00 0.00 O ATOM 705 CB CYS A 45 3.552 1.755 -5.289 1.00 0.00 C ATOM 706 SG CYS A 45 3.196 -0.011 -5.559 1.00 0.00 S ATOM 0 H CYS A 45 2.303 1.765 -3.126 1.00 0.00 H new ATOM 0 HA CYS A 45 5.083 1.420 -3.820 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.621 2.318 -5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.203 2.110 -6.088 1.00 0.00 H new ATOM 711 N ARG A 46 3.706 4.433 -3.876 1.00 0.00 N ATOM 712 CA ARG A 46 4.010 5.858 -3.841 1.00 0.00 C ATOM 713 C ARG A 46 5.099 6.157 -2.814 1.00 0.00 C ATOM 714 O ARG A 46 5.889 7.086 -2.983 1.00 0.00 O ATOM 715 CB ARG A 46 2.751 6.662 -3.513 1.00 0.00 C ATOM 716 CG ARG A 46 2.408 6.680 -2.033 1.00 0.00 C ATOM 717 CD ARG A 46 1.185 7.541 -1.755 1.00 0.00 C ATOM 718 NE ARG A 46 0.813 7.523 -0.343 1.00 0.00 N ATOM 719 CZ ARG A 46 -0.179 8.246 0.165 1.00 0.00 C ATOM 720 NH1 ARG A 46 -0.895 9.039 -0.620 1.00 0.00 N ATOM 721 NH2 ARG A 46 -0.457 8.176 1.461 1.00 0.00 N ATOM 0 H ARG A 46 2.710 4.214 -3.874 1.00 0.00 H new ATOM 0 HA ARG A 46 4.373 6.150 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.885 7.687 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.910 6.246 -4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.224 5.662 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.258 7.059 -1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.386 8.567 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.347 7.186 -2.355 1.00 0.00 H new ATOM 0 HE ARG A 46 1.344 6.922 0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.685 9.095 -1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.656 9.593 -0.227 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.091 7.567 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.219 8.732 1.850 1.00 0.00 H new ATOM 735 N LYS A 47 5.134 5.363 -1.749 1.00 0.00 N ATOM 736 CA LYS A 47 6.125 5.541 -0.694 1.00 0.00 C ATOM 737 C LYS A 47 7.459 4.914 -1.090 1.00 0.00 C ATOM 738 O LYS A 47 8.456 5.614 -1.268 1.00 0.00 O ATOM 739 CB LYS A 47 5.626 4.921 0.613 1.00 0.00 C ATOM 740 CG LYS A 47 6.422 5.350 1.833 1.00 0.00 C ATOM 741 CD LYS A 47 5.863 4.739 3.107 1.00 0.00 C ATOM 742 CE LYS A 47 6.274 3.282 3.252 1.00 0.00 C ATOM 743 NZ LYS A 47 5.574 2.619 4.388 1.00 0.00 N ATOM 0 H LYS A 47 4.487 4.590 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 47 6.275 6.611 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.580 5.193 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.665 3.835 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.464 5.052 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.409 6.437 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.216 5.305 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.776 4.813 3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.053 2.748 2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.352 3.222 3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.881 1.628 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.805 3.113 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.547 2.654 4.230 1.00 0.00 H new ATOM 757 N ASP A 48 7.469 3.593 -1.227 1.00 0.00 N ATOM 758 CA ASP A 48 8.679 2.872 -1.604 1.00 0.00 C ATOM 759 C ASP A 48 9.513 3.688 -2.587 1.00 0.00 C ATOM 760 O ASP A 48 10.719 3.856 -2.404 1.00 0.00 O ATOM 761 CB ASP A 48 8.322 1.519 -2.219 1.00 0.00 C ATOM 762 CG ASP A 48 9.547 0.680 -2.525 1.00 0.00 C ATOM 763 OD1 ASP A 48 10.609 1.268 -2.819 1.00 0.00 O ATOM 764 OD2 ASP A 48 9.444 -0.563 -2.473 1.00 0.00 O ATOM 0 H ASP A 48 6.652 2.999 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 48 9.270 2.707 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.673 0.972 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.756 1.678 -3.137 1.00 0.00 H new ATOM 769 N SER A 49 8.862 4.192 -3.631 1.00 0.00 N ATOM 770 CA SER A 49 9.544 4.986 -4.646 1.00 0.00 C ATOM 771 C SER A 49 10.741 4.229 -5.214 1.00 0.00 C ATOM 772 O SER A 49 11.841 4.773 -5.318 1.00 0.00 O ATOM 773 CB SER A 49 10.003 6.321 -4.057 1.00 0.00 C ATOM 774 OG SER A 49 8.932 7.247 -3.997 1.00 0.00 O ATOM 0 H SER A 49 7.864 4.064 -3.796 1.00 0.00 H new ATOM 0 HA SER A 49 8.840 5.178 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.406 6.161 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.810 6.732 -4.664 1.00 0.00 H new ATOM 0 HG SER A 49 8.142 6.809 -3.616 1.00 0.00 H new ATOM 780 N CYS A 50 10.519 2.971 -5.579 1.00 0.00 N ATOM 781 CA CYS A 50 11.579 2.138 -6.136 1.00 0.00 C ATOM 782 C CYS A 50 11.781 2.434 -7.618 1.00 0.00 C ATOM 783 O CYS A 50 11.801 1.523 -8.445 1.00 0.00 O ATOM 784 CB CYS A 50 11.248 0.658 -5.939 1.00 0.00 C ATOM 785 SG CYS A 50 12.700 -0.406 -5.766 1.00 0.00 S ATOM 0 H CYS A 50 9.615 2.506 -5.499 1.00 0.00 H new ATOM 0 HA CYS A 50 12.505 2.369 -5.609 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.625 0.551 -5.051 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.657 0.313 -6.787 1.00 0.00 H new ATOM 0 HG CYS A 50 12.318 -1.638 -5.602 1.00 0.00 H new ATOM 791 N GLN A 51 11.929 3.713 -7.946 1.00 0.00 N ATOM 792 CA GLN A 51 12.127 4.129 -9.330 1.00 0.00 C ATOM 793 C GLN A 51 13.603 4.070 -9.710 1.00 0.00 C ATOM 794 O GLN A 51 13.949 3.751 -10.847 1.00 0.00 O ATOM 795 CB GLN A 51 11.590 5.545 -9.541 1.00 0.00 C ATOM 796 CG GLN A 51 10.130 5.585 -9.964 1.00 0.00 C ATOM 797 CD GLN A 51 9.190 5.147 -8.858 1.00 0.00 C ATOM 798 OE1 GLN A 51 8.777 5.952 -8.023 1.00 0.00 O ATOM 799 NE2 GLN A 51 8.847 3.864 -8.847 1.00 0.00 N ATOM 0 H GLN A 51 11.916 4.479 -7.273 1.00 0.00 H new ATOM 0 HA GLN A 51 11.577 3.441 -9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.708 6.111 -8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.193 6.044 -10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.873 6.598 -10.274 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.989 4.941 -10.832 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.213 3.232 -9.559 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.217 3.511 -8.127 1.00 0.00 H new ATOM 808 N GLU A 52 14.469 4.381 -8.750 1.00 0.00 N ATOM 809 CA GLU A 52 15.908 4.365 -8.986 1.00 0.00 C ATOM 810 C GLU A 52 16.237 4.890 -10.380 1.00 0.00 C ATOM 811 O GLU A 52 17.198 4.450 -11.010 1.00 0.00 O ATOM 812 CB GLU A 52 16.458 2.947 -8.820 1.00 0.00 C ATOM 813 CG GLU A 52 15.924 1.963 -9.846 1.00 0.00 C ATOM 814 CD GLU A 52 16.804 0.736 -9.992 1.00 0.00 C ATOM 815 OE1 GLU A 52 17.845 0.830 -10.674 1.00 0.00 O ATOM 816 OE2 GLU A 52 16.451 -0.318 -9.421 1.00 0.00 O ATOM 0 H GLU A 52 14.199 4.647 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 52 16.378 5.018 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.545 2.978 -8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.213 2.586 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.920 1.653 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.839 2.461 -10.812 1.00 0.00 H new ATOM 823 N ALA A 53 15.431 5.833 -10.857 1.00 0.00 N ATOM 824 CA ALA A 53 15.636 6.419 -12.175 1.00 0.00 C ATOM 825 C ALA A 53 16.314 7.781 -12.071 1.00 0.00 C ATOM 826 O ALA A 53 15.660 8.819 -12.168 1.00 0.00 O ATOM 827 CB ALA A 53 14.310 6.542 -12.910 1.00 0.00 C ATOM 0 H ALA A 53 14.629 6.207 -10.349 1.00 0.00 H new ATOM 0 HA ALA A 53 16.292 5.758 -12.741 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.478 6.981 -13.893 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.865 5.554 -13.026 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.635 7.179 -12.339 1.00 0.00 H new ATOM 833 N ALA A 54 17.628 7.770 -11.872 1.00 0.00 N ATOM 834 CA ALA A 54 18.394 9.004 -11.756 1.00 0.00 C ATOM 835 C ALA A 54 19.013 9.394 -13.094 1.00 0.00 C ATOM 836 O ALA A 54 20.047 8.854 -13.492 1.00 0.00 O ATOM 837 CB ALA A 54 19.474 8.857 -10.695 1.00 0.00 C ATOM 0 H ALA A 54 18.184 6.919 -11.788 1.00 0.00 H new ATOM 0 HA ALA A 54 17.712 9.799 -11.456 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.038 9.786 -10.619 1.00 0.00 H new ATOM 0 HB2 ALA A 54 19.012 8.634 -9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 54 20.147 8.045 -10.971 1.00 0.00 H new ATOM 843 N LEU A 55 18.376 10.332 -13.785 1.00 0.00 N ATOM 844 CA LEU A 55 18.865 10.794 -15.080 1.00 0.00 C ATOM 845 C LEU A 55 19.532 12.160 -14.955 1.00 0.00 C ATOM 846 O LEU A 55 20.596 12.396 -15.525 1.00 0.00 O ATOM 847 CB LEU A 55 17.714 10.866 -16.085 1.00 0.00 C ATOM 848 CG LEU A 55 17.296 9.541 -16.724 1.00 0.00 C ATOM 849 CD1 LEU A 55 15.833 9.586 -17.138 1.00 0.00 C ATOM 850 CD2 LEU A 55 18.181 9.223 -17.920 1.00 0.00 C ATOM 0 H LEU A 55 17.519 10.788 -13.471 1.00 0.00 H new ATOM 0 HA LEU A 55 19.607 10.080 -15.436 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.846 11.294 -15.583 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.995 11.557 -16.880 1.00 0.00 H new ATOM 0 HG LEU A 55 17.419 8.749 -15.986 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.554 8.635 -17.591 1.00 0.00 H new ATOM 0 HD12 LEU A 55 15.212 9.767 -16.261 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.684 10.389 -17.860 1.00 0.00 H new ATOM 0 HD21 LEU A 55 17.869 8.277 -18.362 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.090 10.017 -18.661 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.219 9.147 -17.595 1.00 0.00 H new ATOM 862 N ASN A 56 18.901 13.055 -14.202 1.00 0.00 N ATOM 863 CA ASN A 56 19.434 14.397 -14.000 1.00 0.00 C ATOM 864 C ASN A 56 18.837 15.037 -12.751 1.00 0.00 C ATOM 865 O ASN A 56 17.675 14.806 -12.416 1.00 0.00 O ATOM 866 CB ASN A 56 19.148 15.271 -15.222 1.00 0.00 C ATOM 867 CG ASN A 56 19.954 16.555 -15.216 1.00 0.00 C ATOM 868 OD1 ASN A 56 21.167 16.539 -15.002 1.00 0.00 O ATOM 869 ND2 ASN A 56 19.283 17.677 -15.452 1.00 0.00 N ATOM 0 H ASN A 56 18.020 12.875 -13.721 1.00 0.00 H new ATOM 0 HA ASN A 56 20.513 14.316 -13.864 1.00 0.00 H new ATOM 0 HB2 ASN A 56 19.373 14.708 -16.128 1.00 0.00 H new ATOM 0 HB3 ASN A 56 18.085 15.512 -15.252 1.00 0.00 H new ATOM 0 HD21 ASN A 56 19.773 18.572 -15.461 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.278 17.644 -15.624 1.00 0.00 H new ATOM 876 N LYS A 57 19.640 15.844 -12.065 1.00 0.00 N ATOM 877 CA LYS A 57 19.192 16.521 -10.854 1.00 0.00 C ATOM 878 C LYS A 57 20.198 17.583 -10.421 1.00 0.00 C ATOM 879 O LYS A 57 21.352 17.570 -10.849 1.00 0.00 O ATOM 880 CB LYS A 57 18.987 15.508 -9.725 1.00 0.00 C ATOM 881 CG LYS A 57 20.228 14.692 -9.407 1.00 0.00 C ATOM 882 CD LYS A 57 19.882 13.427 -8.640 1.00 0.00 C ATOM 883 CE LYS A 57 21.132 12.667 -8.226 1.00 0.00 C ATOM 884 NZ LYS A 57 21.974 13.454 -7.283 1.00 0.00 N ATOM 0 H LYS A 57 20.605 16.045 -12.328 1.00 0.00 H new ATOM 0 HA LYS A 57 18.243 17.011 -11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.670 16.037 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 57 18.177 14.831 -9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 57 20.739 14.429 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 57 20.921 15.296 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 57 19.301 13.685 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 57 19.253 12.786 -9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 57 20.846 11.725 -7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 57 21.716 12.418 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 22.657 12.823 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 22.486 14.192 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 21.368 13.898 -6.564 1.00 0.00 H new ATOM 898 N ASP A 58 19.753 18.501 -9.569 1.00 0.00 N ATOM 899 CA ASP A 58 20.615 19.568 -9.076 1.00 0.00 C ATOM 900 C ASP A 58 19.901 20.395 -8.011 1.00 0.00 C ATOM 901 O ASP A 58 18.938 21.104 -8.304 1.00 0.00 O ATOM 902 CB ASP A 58 21.055 20.471 -10.230 1.00 0.00 C ATOM 903 CG ASP A 58 19.911 21.292 -10.791 1.00 0.00 C ATOM 904 OD1 ASP A 58 19.081 20.725 -11.531 1.00 0.00 O ATOM 905 OD2 ASP A 58 19.846 22.503 -10.491 1.00 0.00 O ATOM 0 H ASP A 58 18.800 18.527 -9.206 1.00 0.00 H new ATOM 0 HA ASP A 58 21.496 19.111 -8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 58 21.843 21.140 -9.884 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.483 19.859 -11.024 1.00 0.00 H new ATOM 910 N GLU A 59 20.379 20.297 -6.774 1.00 0.00 N ATOM 911 CA GLU A 59 19.784 21.035 -5.666 1.00 0.00 C ATOM 912 C GLU A 59 18.271 20.835 -5.629 1.00 0.00 C ATOM 913 O GLU A 59 17.515 21.780 -5.410 1.00 0.00 O ATOM 914 CB GLU A 59 20.110 22.525 -5.783 1.00 0.00 C ATOM 915 CG GLU A 59 21.595 22.832 -5.697 1.00 0.00 C ATOM 916 CD GLU A 59 22.137 22.703 -4.286 1.00 0.00 C ATOM 917 OE1 GLU A 59 21.576 23.344 -3.374 1.00 0.00 O ATOM 918 OE2 GLU A 59 23.123 21.960 -4.095 1.00 0.00 O ATOM 0 H GLU A 59 21.175 19.715 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 59 20.207 20.650 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.725 22.899 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.590 23.065 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 59 22.141 22.156 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.775 23.844 -6.060 1.00 0.00 H new ATOM 925 N GLY A 60 17.838 19.597 -5.845 1.00 0.00 N ATOM 926 CA GLY A 60 16.419 19.295 -5.833 1.00 0.00 C ATOM 927 C GLY A 60 15.814 19.409 -4.448 1.00 0.00 C ATOM 928 O GLY A 60 14.744 19.991 -4.277 1.00 0.00 O ATOM 0 H GLY A 60 18.445 18.798 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.900 19.974 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.262 18.285 -6.213 1.00 0.00 H new ATOM 932 N ASN A 61 16.499 18.849 -3.456 1.00 0.00 N ATOM 933 CA ASN A 61 16.021 18.889 -2.079 1.00 0.00 C ATOM 934 C ASN A 61 14.523 18.605 -2.014 1.00 0.00 C ATOM 935 O ASN A 61 13.789 19.264 -1.279 1.00 0.00 O ATOM 936 CB ASN A 61 16.321 20.252 -1.452 1.00 0.00 C ATOM 937 CG ASN A 61 15.614 21.386 -2.168 1.00 0.00 C ATOM 938 OD1 ASN A 61 16.027 21.805 -3.249 1.00 0.00 O ATOM 939 ND2 ASN A 61 14.542 21.888 -1.567 1.00 0.00 N ATOM 0 H ASN A 61 17.387 18.362 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 61 16.544 18.115 -1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 61 16.018 20.242 -0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 61 17.396 20.429 -1.471 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.025 22.652 -2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.236 21.509 -0.671 1.00 0.00 H new ATOM 946 N GLU A 62 14.079 17.621 -2.790 1.00 0.00 N ATOM 947 CA GLU A 62 12.669 17.252 -2.820 1.00 0.00 C ATOM 948 C GLU A 62 12.034 17.414 -1.442 1.00 0.00 C ATOM 949 O GLU A 62 12.282 16.620 -0.535 1.00 0.00 O ATOM 950 CB GLU A 62 12.507 15.808 -3.301 1.00 0.00 C ATOM 951 CG GLU A 62 13.024 15.575 -4.711 1.00 0.00 C ATOM 952 CD GLU A 62 14.497 15.217 -4.741 1.00 0.00 C ATOM 953 OE1 GLU A 62 14.869 14.188 -4.140 1.00 0.00 O ATOM 954 OE2 GLU A 62 15.278 15.965 -5.366 1.00 0.00 O ATOM 0 H GLU A 62 14.674 17.066 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 62 12.160 17.919 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.034 15.144 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.452 15.536 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.450 14.774 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.860 16.473 -5.307 1.00 0.00 H new ATOM 961 N SER A 63 11.212 18.449 -1.294 1.00 0.00 N ATOM 962 CA SER A 63 10.545 18.719 -0.026 1.00 0.00 C ATOM 963 C SER A 63 9.090 18.262 -0.070 1.00 0.00 C ATOM 964 O SER A 63 8.654 17.460 0.755 1.00 0.00 O ATOM 965 CB SER A 63 10.612 20.212 0.302 1.00 0.00 C ATOM 966 OG SER A 63 11.956 20.646 0.425 1.00 0.00 O ATOM 0 H SER A 63 10.993 19.113 -2.036 1.00 0.00 H new ATOM 0 HA SER A 63 11.061 18.159 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.112 20.783 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.076 20.408 1.231 1.00 0.00 H new ATOM 0 HG SER A 63 12.533 20.087 -0.137 1.00 0.00 H new ATOM 972 N GLY A 64 8.343 18.779 -1.041 1.00 0.00 N ATOM 973 CA GLY A 64 6.945 18.414 -1.176 1.00 0.00 C ATOM 974 C GLY A 64 6.060 19.607 -1.479 1.00 0.00 C ATOM 975 O GLY A 64 5.186 19.958 -0.686 1.00 0.00 O ATOM 0 H GLY A 64 8.681 19.444 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.841 17.677 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.606 17.939 -0.255 1.00 0.00 H new ATOM 979 N LYS A 65 6.287 20.233 -2.628 1.00 0.00 N ATOM 980 CA LYS A 65 5.505 21.395 -3.035 1.00 0.00 C ATOM 981 C LYS A 65 4.929 21.200 -4.434 1.00 0.00 C ATOM 982 O LYS A 65 5.410 20.369 -5.204 1.00 0.00 O ATOM 983 CB LYS A 65 6.370 22.656 -2.998 1.00 0.00 C ATOM 984 CG LYS A 65 6.349 23.370 -1.658 1.00 0.00 C ATOM 985 CD LYS A 65 7.659 24.093 -1.391 1.00 0.00 C ATOM 986 CE LYS A 65 8.670 23.183 -0.711 1.00 0.00 C ATOM 987 NZ LYS A 65 8.404 23.051 0.748 1.00 0.00 N ATOM 0 H LYS A 65 7.007 19.955 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 65 4.678 21.509 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.398 22.388 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.028 23.343 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.527 24.086 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.162 22.648 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.072 24.459 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.473 24.965 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.642 22.198 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.674 23.578 -0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.115 22.423 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.456 23.988 1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.456 22.650 0.893 1.00 0.00 H new ATOM 1001 N LYS A 66 3.898 21.974 -4.757 1.00 0.00 N ATOM 1002 CA LYS A 66 3.258 21.889 -6.064 1.00 0.00 C ATOM 1003 C LYS A 66 3.147 23.269 -6.706 1.00 0.00 C ATOM 1004 O LYS A 66 3.471 23.447 -7.881 1.00 0.00 O ATOM 1005 CB LYS A 66 1.868 21.262 -5.935 1.00 0.00 C ATOM 1006 CG LYS A 66 0.917 22.065 -5.064 1.00 0.00 C ATOM 1007 CD LYS A 66 -0.340 21.276 -4.737 1.00 0.00 C ATOM 1008 CE LYS A 66 -0.111 20.318 -3.578 1.00 0.00 C ATOM 1009 NZ LYS A 66 -0.101 21.025 -2.268 1.00 0.00 N ATOM 0 H LYS A 66 3.488 22.667 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 66 3.876 21.258 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.434 21.154 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.968 20.259 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.420 22.349 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.645 22.988 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.148 21.964 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.658 20.716 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.893 19.558 -3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.837 19.799 -3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.061 20.328 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.731 21.647 -2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.966 21.595 -2.175 1.00 0.00 H new ATOM 1023 N THR A 67 2.690 24.244 -5.927 1.00 0.00 N ATOM 1024 CA THR A 67 2.537 25.607 -6.419 1.00 0.00 C ATOM 1025 C THR A 67 3.592 26.530 -5.819 1.00 0.00 C ATOM 1026 O THR A 67 4.286 27.246 -6.540 1.00 0.00 O ATOM 1027 CB THR A 67 1.139 26.167 -6.096 1.00 0.00 C ATOM 1028 OG1 THR A 67 0.130 25.323 -6.663 1.00 0.00 O ATOM 1029 CG2 THR A 67 0.985 27.582 -6.635 1.00 0.00 C ATOM 0 H THR A 67 2.419 24.115 -4.952 1.00 0.00 H new ATOM 0 HA THR A 67 2.664 25.568 -7.501 1.00 0.00 H new ATOM 0 HB THR A 67 1.024 26.193 -5.012 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.756 25.685 -6.452 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.010 27.957 -6.395 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.736 28.228 -6.180 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.119 27.576 -7.717 1.00 0.00 H new ATOM 1037 N SER A 68 3.708 26.507 -4.495 1.00 0.00 N ATOM 1038 CA SER A 68 4.677 27.344 -3.798 1.00 0.00 C ATOM 1039 C SER A 68 6.104 26.927 -4.145 1.00 0.00 C ATOM 1040 O SER A 68 6.389 25.745 -4.332 1.00 0.00 O ATOM 1041 CB SER A 68 4.462 27.259 -2.286 1.00 0.00 C ATOM 1042 OG SER A 68 3.113 27.528 -1.947 1.00 0.00 O ATOM 0 H SER A 68 3.143 25.918 -3.884 1.00 0.00 H new ATOM 0 HA SER A 68 4.529 28.374 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.738 26.266 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.116 27.971 -1.782 1.00 0.00 H new ATOM 0 HG SER A 68 3.001 27.466 -0.975 1.00 0.00 H new ATOM 1048 N GLY A 69 6.997 27.909 -4.228 1.00 0.00 N ATOM 1049 CA GLY A 69 8.382 27.625 -4.552 1.00 0.00 C ATOM 1050 C GLY A 69 9.346 28.208 -3.537 1.00 0.00 C ATOM 1051 O GLY A 69 9.151 29.311 -3.026 1.00 0.00 O ATOM 0 H GLY A 69 6.786 28.895 -4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.525 26.546 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.611 28.027 -5.539 1.00 0.00 H new ATOM 1055 N PRO A 70 10.413 27.456 -3.229 1.00 0.00 N ATOM 1056 CA PRO A 70 11.431 27.884 -2.264 1.00 0.00 C ATOM 1057 C PRO A 70 12.275 29.041 -2.787 1.00 0.00 C ATOM 1058 O PRO A 70 12.658 29.063 -3.956 1.00 0.00 O ATOM 1059 CB PRO A 70 12.294 26.633 -2.081 1.00 0.00 C ATOM 1060 CG PRO A 70 12.116 25.862 -3.344 1.00 0.00 C ATOM 1061 CD PRO A 70 10.708 26.131 -3.798 1.00 0.00 C ATOM 0 HA PRO A 70 10.987 28.252 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.340 26.894 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.973 26.054 -1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.836 26.178 -4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.275 24.797 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.630 26.134 -4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.016 25.373 -3.431 1.00 0.00 H new ATOM 1069 N SER A 71 12.561 30.001 -1.913 1.00 0.00 N ATOM 1070 CA SER A 71 13.357 31.164 -2.288 1.00 0.00 C ATOM 1071 C SER A 71 14.011 31.792 -1.062 1.00 0.00 C ATOM 1072 O SER A 71 13.389 31.915 -0.007 1.00 0.00 O ATOM 1073 CB SER A 71 12.483 32.198 -3.001 1.00 0.00 C ATOM 1074 OG SER A 71 12.379 31.911 -4.385 1.00 0.00 O ATOM 0 H SER A 71 12.253 29.996 -0.941 1.00 0.00 H new ATOM 0 HA SER A 71 14.142 30.833 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.489 32.210 -2.553 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.906 33.193 -2.864 1.00 0.00 H new ATOM 0 HG SER A 71 12.481 30.947 -4.528 1.00 0.00 H new ATOM 1080 N SER A 72 15.271 32.190 -1.209 1.00 0.00 N ATOM 1081 CA SER A 72 16.012 32.802 -0.113 1.00 0.00 C ATOM 1082 C SER A 72 15.462 34.189 0.206 1.00 0.00 C ATOM 1083 O SER A 72 14.621 34.718 -0.519 1.00 0.00 O ATOM 1084 CB SER A 72 17.498 32.900 -0.466 1.00 0.00 C ATOM 1085 OG SER A 72 17.709 33.802 -1.538 1.00 0.00 O ATOM 0 H SER A 72 15.800 32.099 -2.077 1.00 0.00 H new ATOM 0 HA SER A 72 15.896 32.171 0.768 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.061 33.230 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.877 31.914 -0.736 1.00 0.00 H new ATOM 0 HG SER A 72 18.666 33.848 -1.743 1.00 0.00 H new ATOM 1091 N GLY A 73 15.945 34.773 1.299 1.00 0.00 N ATOM 1092 CA GLY A 73 15.491 36.093 1.697 1.00 0.00 C ATOM 1093 C GLY A 73 15.669 37.123 0.600 1.00 0.00 C ATOM 1094 O GLY A 73 16.302 36.818 -0.410 1.00 0.00 O ATOM 0 H GLY A 73 16.642 34.356 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.439 36.043 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.041 36.411 2.583 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.955 -0.424 -6.033 1.00 0.00 ZN