USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 523 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 NoAdj-H: A 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HE2 : A 58 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot -172:sc= 0.0132 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -166:sc= -0.661 (180deg=-0.839) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0827 (180deg=0) USER MOD Single : A 2 SER OG : rot 12:sc= 1.19 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 52:sc= 1.29 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 9:sc= 0.666 USER MOD Single : A 10 SER OG : rot 9:sc= 1.22 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 13 SER OG : rot 22:sc= 1.27 USER MOD Single : A 16 LYS NZ :NH3+ -120:sc= 0.451 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= -0.908 (180deg=-1.33) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= -0.312 (180deg=-0.511) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.3) USER MOD Single : A 30 MET CE :methyl 140:sc= -2.72! (180deg=-4.96!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -11:sc= 0.63 USER MOD Single : A 46 ASN : amide:sc= -3.79 K(o=-3.8,f=-4.6) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0461 F(o=-1.7,f=-0.046) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 7:sc= 0.454 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.974 55.169 15.217 1.00 0.00 N ATOM 2 CA GLY A 1 -30.909 54.249 15.574 1.00 0.00 C ATOM 3 C GLY A 1 -30.068 53.845 14.380 1.00 0.00 C ATOM 4 O GLY A 1 -30.462 54.057 13.233 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.809 56.087 15.677 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.991 55.297 14.185 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.887 54.783 15.533 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.269 54.712 16.325 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.340 53.357 16.029 1.00 0.00 H new ATOM 8 N SER A 2 -28.903 53.263 14.648 1.00 0.00 N ATOM 9 CA SER A 2 -28.001 52.833 13.587 1.00 0.00 C ATOM 10 C SER A 2 -26.939 51.881 14.129 1.00 0.00 C ATOM 11 O SER A 2 -26.567 51.950 15.300 1.00 0.00 O ATOM 12 CB SER A 2 -27.331 54.045 12.936 1.00 0.00 C ATOM 13 OG SER A 2 -28.217 54.698 12.043 1.00 0.00 O ATOM 0 H SER A 2 -28.562 53.079 15.592 1.00 0.00 H new ATOM 0 HA SER A 2 -28.589 52.305 12.836 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.007 54.743 13.707 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.438 53.726 12.399 1.00 0.00 H new ATOM 0 HG SER A 2 -29.124 54.349 12.168 1.00 0.00 H new ATOM 19 N SER A 3 -26.454 50.992 13.267 1.00 0.00 N ATOM 20 CA SER A 3 -25.438 50.023 13.659 1.00 0.00 C ATOM 21 C SER A 3 -24.850 49.327 12.435 1.00 0.00 C ATOM 22 O SER A 3 -25.580 48.808 11.592 1.00 0.00 O ATOM 23 CB SER A 3 -26.033 48.985 14.613 1.00 0.00 C ATOM 24 OG SER A 3 -25.053 48.049 15.024 1.00 0.00 O ATOM 0 H SER A 3 -26.749 50.923 12.293 1.00 0.00 H new ATOM 0 HA SER A 3 -24.638 50.559 14.170 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.450 49.486 15.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.855 48.464 14.122 1.00 0.00 H new ATOM 0 HG SER A 3 -25.458 47.398 15.634 1.00 0.00 H new ATOM 30 N GLY A 4 -23.523 49.322 12.346 1.00 0.00 N ATOM 31 CA GLY A 4 -22.858 48.688 11.222 1.00 0.00 C ATOM 32 C GLY A 4 -22.818 47.178 11.349 1.00 0.00 C ATOM 33 O GLY A 4 -23.358 46.614 12.301 1.00 0.00 O ATOM 0 H GLY A 4 -22.897 49.745 13.031 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.372 48.959 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.840 49.070 11.143 1.00 0.00 H new ATOM 37 N SER A 5 -22.179 46.522 10.386 1.00 0.00 N ATOM 38 CA SER A 5 -22.076 45.067 10.390 1.00 0.00 C ATOM 39 C SER A 5 -21.095 44.589 9.325 1.00 0.00 C ATOM 40 O SER A 5 -21.174 44.995 8.165 1.00 0.00 O ATOM 41 CB SER A 5 -23.450 44.436 10.155 1.00 0.00 C ATOM 42 OG SER A 5 -24.154 44.279 11.375 1.00 0.00 O ATOM 0 H SER A 5 -21.725 46.975 9.593 1.00 0.00 H new ATOM 0 HA SER A 5 -21.704 44.757 11.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.029 45.061 9.475 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.331 43.466 9.673 1.00 0.00 H new ATOM 0 HG SER A 5 -24.171 45.133 11.855 1.00 0.00 H new ATOM 48 N SER A 6 -20.171 43.722 9.726 1.00 0.00 N ATOM 49 CA SER A 6 -19.171 43.190 8.808 1.00 0.00 C ATOM 50 C SER A 6 -19.117 41.668 8.886 1.00 0.00 C ATOM 51 O SER A 6 -18.542 41.102 9.815 1.00 0.00 O ATOM 52 CB SER A 6 -17.794 43.777 9.123 1.00 0.00 C ATOM 53 OG SER A 6 -17.832 45.194 9.127 1.00 0.00 O ATOM 0 H SER A 6 -20.094 43.373 10.681 1.00 0.00 H new ATOM 0 HA SER A 6 -19.456 43.475 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.455 43.416 10.094 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.070 43.432 8.385 1.00 0.00 H new ATOM 0 HG SER A 6 -16.940 45.545 9.333 1.00 0.00 H new ATOM 59 N GLY A 7 -19.722 41.009 7.901 1.00 0.00 N ATOM 60 CA GLY A 7 -19.732 39.558 7.876 1.00 0.00 C ATOM 61 C GLY A 7 -20.599 38.966 8.969 1.00 0.00 C ATOM 62 O GLY A 7 -21.816 39.152 8.995 1.00 0.00 O ATOM 0 H GLY A 7 -20.205 41.454 7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.092 39.217 6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.712 39.189 7.985 1.00 0.00 H new ATOM 66 N PRO A 8 -19.969 38.230 9.897 1.00 0.00 N ATOM 67 CA PRO A 8 -18.521 38.001 9.876 1.00 0.00 C ATOM 68 C PRO A 8 -18.095 37.094 8.727 1.00 0.00 C ATOM 69 O PRO A 8 -18.934 36.529 8.025 1.00 0.00 O ATOM 70 CB PRO A 8 -18.250 37.323 11.221 1.00 0.00 C ATOM 71 CG PRO A 8 -19.541 36.675 11.586 1.00 0.00 C ATOM 72 CD PRO A 8 -20.621 37.566 11.038 1.00 0.00 C ATOM 0 HA PRO A 8 -17.964 38.926 9.730 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.448 36.589 11.140 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.944 38.048 11.975 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.609 35.673 11.161 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.633 36.570 12.667 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -21.494 36.993 10.725 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -20.963 38.287 11.781 1.00 0.00 H new ATOM 80 N SER A 9 -16.786 36.958 8.540 1.00 0.00 N ATOM 81 CA SER A 9 -16.248 36.122 7.473 1.00 0.00 C ATOM 82 C SER A 9 -14.813 35.705 7.780 1.00 0.00 C ATOM 83 O SER A 9 -14.091 36.404 8.491 1.00 0.00 O ATOM 84 CB SER A 9 -16.300 36.866 6.137 1.00 0.00 C ATOM 85 OG SER A 9 -17.635 37.005 5.682 1.00 0.00 O ATOM 0 H SER A 9 -16.078 37.416 9.114 1.00 0.00 H new ATOM 0 HA SER A 9 -16.862 35.224 7.405 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.846 37.851 6.248 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.713 36.326 5.394 1.00 0.00 H new ATOM 0 HG SER A 9 -18.252 36.719 6.387 1.00 0.00 H new ATOM 91 N SER A 10 -14.408 34.560 7.240 1.00 0.00 N ATOM 92 CA SER A 10 -13.061 34.046 7.459 1.00 0.00 C ATOM 93 C SER A 10 -12.737 32.932 6.469 1.00 0.00 C ATOM 94 O SER A 10 -13.330 31.854 6.515 1.00 0.00 O ATOM 95 CB SER A 10 -12.916 33.529 8.892 1.00 0.00 C ATOM 96 OG SER A 10 -12.762 34.600 9.807 1.00 0.00 O ATOM 0 H SER A 10 -14.993 33.971 6.648 1.00 0.00 H new ATOM 0 HA SER A 10 -12.357 34.863 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.793 32.941 9.160 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.055 32.864 8.957 1.00 0.00 H new ATOM 0 HG SER A 10 -12.922 35.450 9.346 1.00 0.00 H new ATOM 102 N SER A 11 -11.792 33.200 5.573 1.00 0.00 N ATOM 103 CA SER A 11 -11.391 32.223 4.569 1.00 0.00 C ATOM 104 C SER A 11 -10.171 32.710 3.793 1.00 0.00 C ATOM 105 O SER A 11 -10.198 33.776 3.179 1.00 0.00 O ATOM 106 CB SER A 11 -12.546 31.948 3.604 1.00 0.00 C ATOM 107 OG SER A 11 -12.164 31.022 2.602 1.00 0.00 O ATOM 0 H SER A 11 -11.290 34.086 5.523 1.00 0.00 H new ATOM 0 HA SER A 11 -11.128 31.299 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.401 31.558 4.157 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.865 32.881 3.139 1.00 0.00 H new ATOM 0 HG SER A 11 -12.920 30.862 1.999 1.00 0.00 H new ATOM 113 N GLN A 12 -9.102 31.920 3.828 1.00 0.00 N ATOM 114 CA GLN A 12 -7.871 32.271 3.129 1.00 0.00 C ATOM 115 C GLN A 12 -6.875 31.117 3.169 1.00 0.00 C ATOM 116 O GLN A 12 -6.380 30.748 4.234 1.00 0.00 O ATOM 117 CB GLN A 12 -7.246 33.522 3.750 1.00 0.00 C ATOM 118 CG GLN A 12 -7.212 33.494 5.270 1.00 0.00 C ATOM 119 CD GLN A 12 -6.077 34.320 5.843 1.00 0.00 C ATOM 120 OE1 GLN A 12 -5.642 35.302 5.239 1.00 0.00 O ATOM 121 NE2 GLN A 12 -5.591 33.927 7.014 1.00 0.00 N ATOM 0 H GLN A 12 -9.064 31.034 4.332 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.120 32.476 2.088 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.229 33.635 3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.806 34.398 3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.160 33.867 5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.113 32.463 5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.982 33.108 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.827 34.444 7.449 1.00 0.00 H new ATOM 130 N SER A 13 -6.585 30.551 2.002 1.00 0.00 N ATOM 131 CA SER A 13 -5.651 29.436 1.904 1.00 0.00 C ATOM 132 C SER A 13 -5.361 29.097 0.445 1.00 0.00 C ATOM 133 O SER A 13 -6.164 29.385 -0.442 1.00 0.00 O ATOM 134 CB SER A 13 -6.213 28.207 2.622 1.00 0.00 C ATOM 135 OG SER A 13 -5.877 28.224 3.999 1.00 0.00 O ATOM 0 H SER A 13 -6.984 30.847 1.111 1.00 0.00 H new ATOM 0 HA SER A 13 -4.718 29.733 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.297 28.180 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.821 27.301 2.160 1.00 0.00 H new ATOM 0 HG SER A 13 -5.678 29.143 4.276 1.00 0.00 H new ATOM 141 N GLU A 14 -4.207 28.482 0.205 1.00 0.00 N ATOM 142 CA GLU A 14 -3.809 28.105 -1.147 1.00 0.00 C ATOM 143 C GLU A 14 -2.551 27.242 -1.123 1.00 0.00 C ATOM 144 O GLU A 14 -1.469 27.715 -0.774 1.00 0.00 O ATOM 145 CB GLU A 14 -3.570 29.353 -1.999 1.00 0.00 C ATOM 146 CG GLU A 14 -3.291 29.047 -3.461 1.00 0.00 C ATOM 147 CD GLU A 14 -2.479 30.133 -4.140 1.00 0.00 C ATOM 148 OE1 GLU A 14 -1.407 30.491 -3.608 1.00 0.00 O ATOM 149 OE2 GLU A 14 -2.914 30.624 -5.202 1.00 0.00 O ATOM 0 H GLU A 14 -3.532 28.234 0.928 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.619 27.523 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.444 30.001 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.729 29.909 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.757 28.100 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.236 28.922 -3.989 1.00 0.00 H new ATOM 156 N GLU A 15 -2.702 25.975 -1.495 1.00 0.00 N ATOM 157 CA GLU A 15 -1.578 25.046 -1.515 1.00 0.00 C ATOM 158 C GLU A 15 -1.819 23.922 -2.518 1.00 0.00 C ATOM 159 O GLU A 15 -2.934 23.414 -2.643 1.00 0.00 O ATOM 160 CB GLU A 15 -1.347 24.461 -0.121 1.00 0.00 C ATOM 161 CG GLU A 15 -0.762 25.455 0.868 1.00 0.00 C ATOM 162 CD GLU A 15 -0.329 24.802 2.166 1.00 0.00 C ATOM 163 OE1 GLU A 15 0.480 23.852 2.111 1.00 0.00 O ATOM 164 OE2 GLU A 15 -0.799 25.240 3.237 1.00 0.00 O ATOM 0 H GLU A 15 -3.591 25.568 -1.786 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.689 25.597 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.294 24.088 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.677 23.605 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.094 25.953 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.502 26.226 1.083 1.00 0.00 H new ATOM 171 N LYS A 16 -0.766 23.536 -3.231 1.00 0.00 N ATOM 172 CA LYS A 16 -0.861 22.472 -4.222 1.00 0.00 C ATOM 173 C LYS A 16 0.497 21.815 -4.447 1.00 0.00 C ATOM 174 O LYS A 16 1.539 22.446 -4.274 1.00 0.00 O ATOM 175 CB LYS A 16 -1.397 23.024 -5.545 1.00 0.00 C ATOM 176 CG LYS A 16 -0.503 24.083 -6.169 1.00 0.00 C ATOM 177 CD LYS A 16 0.527 23.465 -7.100 1.00 0.00 C ATOM 178 CE LYS A 16 1.666 24.430 -7.390 1.00 0.00 C ATOM 179 NZ LYS A 16 2.661 24.463 -6.283 1.00 0.00 N ATOM 0 H LYS A 16 0.164 23.945 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.552 21.719 -3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.518 22.201 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.387 23.449 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.114 24.796 -6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.005 24.641 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.925 22.555 -6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.047 23.176 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.162 24.138 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.263 25.431 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.721 25.428 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.365 23.809 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.593 24.175 -6.645 1.00 0.00 H new ATOM 193 N ALA A 17 0.478 20.543 -4.834 1.00 0.00 N ATOM 194 CA ALA A 17 1.708 19.803 -5.085 1.00 0.00 C ATOM 195 C ALA A 17 1.448 18.595 -5.980 1.00 0.00 C ATOM 196 O ALA A 17 0.417 17.929 -5.881 1.00 0.00 O ATOM 197 CB ALA A 17 2.337 19.363 -3.772 1.00 0.00 C ATOM 0 H ALA A 17 -0.376 20.004 -4.980 1.00 0.00 H new ATOM 0 HA ALA A 17 2.402 20.465 -5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.255 18.811 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.567 20.240 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.640 18.722 -3.232 1.00 0.00 H new ATOM 203 N PRO A 18 2.403 18.305 -6.876 1.00 0.00 N ATOM 204 CA PRO A 18 2.300 17.177 -7.806 1.00 0.00 C ATOM 205 C PRO A 18 2.417 15.831 -7.099 1.00 0.00 C ATOM 206 O PRO A 18 2.898 15.753 -5.969 1.00 0.00 O ATOM 207 CB PRO A 18 3.484 17.388 -8.753 1.00 0.00 C ATOM 208 CG PRO A 18 4.469 18.175 -7.958 1.00 0.00 C ATOM 209 CD PRO A 18 3.658 19.056 -7.049 1.00 0.00 C ATOM 0 HA PRO A 18 1.334 17.151 -8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.906 16.437 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.181 17.925 -9.652 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.122 17.517 -7.384 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.109 18.770 -8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.161 19.222 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.482 20.036 -7.492 1.00 0.00 H new ATOM 217 N GLU A 19 1.975 14.773 -7.772 1.00 0.00 N ATOM 218 CA GLU A 19 2.030 13.430 -7.207 1.00 0.00 C ATOM 219 C GLU A 19 3.437 12.850 -7.321 1.00 0.00 C ATOM 220 O GLU A 19 4.044 12.870 -8.393 1.00 0.00 O ATOM 221 CB GLU A 19 1.029 12.514 -7.913 1.00 0.00 C ATOM 222 CG GLU A 19 1.347 12.283 -9.381 1.00 0.00 C ATOM 223 CD GLU A 19 0.154 11.765 -10.161 1.00 0.00 C ATOM 224 OE1 GLU A 19 -0.219 10.589 -9.965 1.00 0.00 O ATOM 225 OE2 GLU A 19 -0.407 12.536 -10.968 1.00 0.00 O ATOM 0 H GLU A 19 1.575 14.820 -8.709 1.00 0.00 H new ATOM 0 HA GLU A 19 1.767 13.496 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.004 11.553 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.032 12.946 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.690 13.217 -9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.168 11.570 -9.464 1.00 0.00 H new ATOM 232 N LEU A 20 3.949 12.333 -6.210 1.00 0.00 N ATOM 233 CA LEU A 20 5.285 11.747 -6.184 1.00 0.00 C ATOM 234 C LEU A 20 5.228 10.250 -6.472 1.00 0.00 C ATOM 235 O LEU A 20 4.246 9.571 -6.169 1.00 0.00 O ATOM 236 CB LEU A 20 5.944 11.991 -4.825 1.00 0.00 C ATOM 237 CG LEU A 20 5.556 11.023 -3.707 1.00 0.00 C ATOM 238 CD1 LEU A 20 6.392 9.755 -3.786 1.00 0.00 C ATOM 239 CD2 LEU A 20 5.717 11.686 -2.347 1.00 0.00 C ATOM 0 H LEU A 20 3.460 12.307 -5.315 1.00 0.00 H new ATOM 0 HA LEU A 20 5.880 12.226 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.025 11.949 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.701 13.003 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 20 4.508 10.752 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.102 9.078 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.226 9.269 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.447 10.008 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.436 10.982 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.756 11.987 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.075 12.565 -2.292 1.00 0.00 H new ATOM 251 N PRO A 21 6.306 9.721 -7.069 1.00 0.00 N ATOM 252 CA PRO A 21 6.405 8.298 -7.409 1.00 0.00 C ATOM 253 C PRO A 21 6.534 7.415 -6.173 1.00 0.00 C ATOM 254 O PRO A 21 7.543 7.458 -5.469 1.00 0.00 O ATOM 255 CB PRO A 21 7.677 8.223 -8.256 1.00 0.00 C ATOM 256 CG PRO A 21 8.494 9.389 -7.817 1.00 0.00 C ATOM 257 CD PRO A 21 7.512 10.470 -7.458 1.00 0.00 C ATOM 0 HA PRO A 21 5.513 7.938 -7.923 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.207 7.284 -8.092 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.448 8.278 -9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.118 9.129 -6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.163 9.718 -8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.880 11.092 -6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.318 11.133 -8.301 1.00 0.00 H new ATOM 265 N LYS A 22 5.507 6.612 -5.915 1.00 0.00 N ATOM 266 CA LYS A 22 5.507 5.716 -4.764 1.00 0.00 C ATOM 267 C LYS A 22 6.908 5.181 -4.490 1.00 0.00 C ATOM 268 O LYS A 22 7.700 4.949 -5.404 1.00 0.00 O ATOM 269 CB LYS A 22 4.542 4.552 -5.000 1.00 0.00 C ATOM 270 CG LYS A 22 3.127 4.992 -5.336 1.00 0.00 C ATOM 271 CD LYS A 22 2.893 5.017 -6.837 1.00 0.00 C ATOM 272 CE LYS A 22 2.319 3.698 -7.333 1.00 0.00 C ATOM 273 NZ LYS A 22 0.957 3.446 -6.785 1.00 0.00 N ATOM 0 H LYS A 22 4.664 6.563 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 22 5.178 6.283 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.924 3.934 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.517 3.926 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.413 4.315 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.945 5.984 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.210 5.829 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.833 5.222 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.277 3.707 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.983 2.882 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.431 2.826 -7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.036 2.986 -5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.451 4.349 -6.683 1.00 0.00 H new ATOM 287 N PRO A 23 7.224 4.979 -3.203 1.00 0.00 N ATOM 288 CA PRO A 23 8.531 4.467 -2.779 1.00 0.00 C ATOM 289 C PRO A 23 8.731 3.004 -3.160 1.00 0.00 C ATOM 290 O PRO A 23 9.733 2.388 -2.796 1.00 0.00 O ATOM 291 CB PRO A 23 8.497 4.623 -1.257 1.00 0.00 C ATOM 292 CG PRO A 23 7.050 4.595 -0.905 1.00 0.00 C ATOM 293 CD PRO A 23 6.330 5.234 -2.061 1.00 0.00 C ATOM 0 HA PRO A 23 9.352 5.001 -3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.040 3.816 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.962 5.558 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.706 3.573 -0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.863 5.140 0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.346 4.792 -2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.179 6.301 -1.900 1.00 0.00 H new ATOM 301 N LYS A 24 7.772 2.452 -3.895 1.00 0.00 N ATOM 302 CA LYS A 24 7.843 1.061 -4.327 1.00 0.00 C ATOM 303 C LYS A 24 7.890 0.966 -5.848 1.00 0.00 C ATOM 304 O LYS A 24 6.897 0.625 -6.491 1.00 0.00 O ATOM 305 CB LYS A 24 6.641 0.278 -3.793 1.00 0.00 C ATOM 306 CG LYS A 24 6.767 -0.109 -2.330 1.00 0.00 C ATOM 307 CD LYS A 24 6.394 1.045 -1.414 1.00 0.00 C ATOM 308 CE LYS A 24 4.906 1.045 -1.096 1.00 0.00 C ATOM 309 NZ LYS A 24 4.602 0.259 0.132 1.00 0.00 N ATOM 0 H LYS A 24 6.936 2.947 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 24 8.759 0.628 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.740 0.877 -3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.513 -0.625 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.123 -0.963 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.790 -0.423 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.965 0.975 -0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.666 1.989 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.563 2.071 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.354 0.629 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.613 0.420 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.748 -0.753 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.233 0.560 0.902 1.00 0.00 H new ATOM 323 N LYS A 25 9.051 1.267 -6.419 1.00 0.00 N ATOM 324 CA LYS A 25 9.230 1.213 -7.865 1.00 0.00 C ATOM 325 C LYS A 25 8.780 -0.135 -8.419 1.00 0.00 C ATOM 326 O LYS A 25 7.857 -0.206 -9.230 1.00 0.00 O ATOM 327 CB LYS A 25 10.696 1.461 -8.228 1.00 0.00 C ATOM 328 CG LYS A 25 10.916 1.758 -9.701 1.00 0.00 C ATOM 329 CD LYS A 25 12.308 2.312 -9.957 1.00 0.00 C ATOM 330 CE LYS A 25 12.710 2.159 -11.416 1.00 0.00 C ATOM 331 NZ LYS A 25 13.968 2.894 -11.724 1.00 0.00 N ATOM 0 H LYS A 25 9.883 1.551 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 25 8.614 1.994 -8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.071 2.297 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.283 0.586 -7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.774 0.847 -10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.170 2.474 -10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.338 3.366 -9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.029 1.794 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.841 1.102 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.908 2.529 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.208 2.765 -12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.836 3.907 -11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.740 2.524 -11.133 1.00 0.00 H new ATOM 345 N ASN A 26 9.437 -1.202 -7.975 1.00 0.00 N ATOM 346 CA ASN A 26 9.103 -2.548 -8.427 1.00 0.00 C ATOM 347 C ASN A 26 9.043 -3.517 -7.250 1.00 0.00 C ATOM 348 O ASN A 26 9.610 -4.608 -7.302 1.00 0.00 O ATOM 349 CB ASN A 26 10.130 -3.034 -9.451 1.00 0.00 C ATOM 350 CG ASN A 26 11.546 -2.638 -9.083 1.00 0.00 C ATOM 351 OD1 ASN A 26 11.918 -1.467 -9.172 1.00 0.00 O ATOM 352 ND2 ASN A 26 12.345 -3.614 -8.668 1.00 0.00 N ATOM 0 H ASN A 26 10.203 -1.161 -7.303 1.00 0.00 H new ATOM 0 HA ASN A 26 8.120 -2.514 -8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.069 -4.119 -9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.884 -2.624 -10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.309 -3.408 -8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.994 -4.570 -8.610 1.00 0.00 H new ATOM 359 N ARG A 27 8.353 -3.110 -6.190 1.00 0.00 N ATOM 360 CA ARG A 27 8.220 -3.942 -5.000 1.00 0.00 C ATOM 361 C ARG A 27 6.777 -3.951 -4.501 1.00 0.00 C ATOM 362 O ARG A 27 6.076 -2.942 -4.579 1.00 0.00 O ATOM 363 CB ARG A 27 9.150 -3.440 -3.894 1.00 0.00 C ATOM 364 CG ARG A 27 10.529 -4.077 -3.922 1.00 0.00 C ATOM 365 CD ARG A 27 11.260 -3.882 -2.603 1.00 0.00 C ATOM 366 NE ARG A 27 12.707 -3.809 -2.785 1.00 0.00 N ATOM 367 CZ ARG A 27 13.574 -3.782 -1.778 1.00 0.00 C ATOM 368 NH1 ARG A 27 13.142 -3.821 -0.525 1.00 0.00 N ATOM 369 NH2 ARG A 27 14.876 -3.715 -2.024 1.00 0.00 N ATOM 0 H ARG A 27 7.877 -2.210 -6.131 1.00 0.00 H new ATOM 0 HA ARG A 27 8.501 -4.961 -5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.257 -2.359 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.688 -3.636 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.435 -5.142 -4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.115 -3.643 -4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.908 -2.968 -2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.020 -4.706 -1.930 1.00 0.00 H new ATOM 0 HE ARG A 27 13.072 -3.777 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.142 -3.872 -0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.810 -3.800 0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.212 -3.684 -2.986 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.541 -3.694 -1.251 1.00 0.00 H new ATOM 383 N CYS A 28 6.341 -5.097 -3.990 1.00 0.00 N ATOM 384 CA CYS A 28 4.983 -5.239 -3.479 1.00 0.00 C ATOM 385 C CYS A 28 4.647 -4.113 -2.505 1.00 0.00 C ATOM 386 O CYS A 28 5.527 -3.581 -1.827 1.00 0.00 O ATOM 387 CB CYS A 28 4.814 -6.593 -2.789 1.00 0.00 C ATOM 388 SG CYS A 28 3.083 -7.037 -2.434 1.00 0.00 S ATOM 0 H CYS A 28 6.909 -5.941 -3.919 1.00 0.00 H new ATOM 0 HA CYS A 28 4.296 -5.181 -4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.254 -7.367 -3.418 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.375 -6.585 -1.854 1.00 0.00 H new ATOM 393 N PHE A 29 3.369 -3.756 -2.439 1.00 0.00 N ATOM 394 CA PHE A 29 2.917 -2.693 -1.548 1.00 0.00 C ATOM 395 C PHE A 29 2.291 -3.274 -0.284 1.00 0.00 C ATOM 396 O PHE A 29 1.818 -2.538 0.581 1.00 0.00 O ATOM 397 CB PHE A 29 1.907 -1.794 -2.264 1.00 0.00 C ATOM 398 CG PHE A 29 0.726 -1.424 -1.413 1.00 0.00 C ATOM 399 CD1 PHE A 29 -0.180 -2.389 -1.004 1.00 0.00 C ATOM 400 CD2 PHE A 29 0.521 -0.110 -1.023 1.00 0.00 C ATOM 401 CE1 PHE A 29 -1.268 -2.052 -0.221 1.00 0.00 C ATOM 402 CE2 PHE A 29 -0.565 0.233 -0.240 1.00 0.00 C ATOM 403 CZ PHE A 29 -1.461 -0.739 0.161 1.00 0.00 C ATOM 0 H PHE A 29 2.628 -4.187 -2.992 1.00 0.00 H new ATOM 0 HA PHE A 29 3.784 -2.098 -1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.410 -0.883 -2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.553 -2.301 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.034 -3.417 -1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.218 0.654 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.966 -2.814 0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.713 1.260 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.311 -0.473 0.772 1.00 0.00 H new ATOM 413 N MET A 30 2.293 -4.599 -0.184 1.00 0.00 N ATOM 414 CA MET A 30 1.727 -5.279 0.975 1.00 0.00 C ATOM 415 C MET A 30 2.810 -6.016 1.756 1.00 0.00 C ATOM 416 O MET A 30 2.844 -5.967 2.986 1.00 0.00 O ATOM 417 CB MET A 30 0.640 -6.262 0.535 1.00 0.00 C ATOM 418 CG MET A 30 0.393 -7.381 1.534 1.00 0.00 C ATOM 419 SD MET A 30 0.183 -6.774 3.219 1.00 0.00 S ATOM 420 CE MET A 30 -1.548 -7.141 3.499 1.00 0.00 C ATOM 0 H MET A 30 2.680 -5.223 -0.892 1.00 0.00 H new ATOM 0 HA MET A 30 1.284 -4.526 1.627 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.290 -5.716 0.376 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.922 -6.697 -0.424 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.497 -7.937 1.239 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.229 -8.080 1.505 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.682 -7.510 4.516 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.139 -6.236 3.360 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.878 -7.901 2.791 1.00 0.00 H new ATOM 430 N CYS A 31 3.692 -6.699 1.035 1.00 0.00 N ATOM 431 CA CYS A 31 4.776 -7.447 1.660 1.00 0.00 C ATOM 432 C CYS A 31 6.120 -6.767 1.413 1.00 0.00 C ATOM 433 O CYS A 31 7.091 -7.009 2.130 1.00 0.00 O ATOM 434 CB CYS A 31 4.812 -8.879 1.123 1.00 0.00 C ATOM 435 SG CYS A 31 5.214 -8.999 -0.650 1.00 0.00 S ATOM 0 H CYS A 31 3.677 -6.750 0.016 1.00 0.00 H new ATOM 0 HA CYS A 31 4.593 -7.473 2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.547 -9.450 1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.842 -9.345 1.297 1.00 0.00 H new ATOM 440 N ARG A 32 6.167 -5.914 0.395 1.00 0.00 N ATOM 441 CA ARG A 32 7.390 -5.199 0.054 1.00 0.00 C ATOM 442 C ARG A 32 8.448 -6.158 -0.485 1.00 0.00 C ATOM 443 O ARG A 32 9.568 -6.213 0.023 1.00 0.00 O ATOM 444 CB ARG A 32 7.933 -4.459 1.278 1.00 0.00 C ATOM 445 CG ARG A 32 6.913 -3.548 1.940 1.00 0.00 C ATOM 446 CD ARG A 32 6.607 -2.334 1.077 1.00 0.00 C ATOM 447 NE ARG A 32 7.542 -1.239 1.322 1.00 0.00 N ATOM 448 CZ ARG A 32 7.581 -0.545 2.454 1.00 0.00 C ATOM 449 NH1 ARG A 32 6.742 -0.830 3.440 1.00 0.00 N ATOM 450 NH2 ARG A 32 8.461 0.438 2.601 1.00 0.00 N ATOM 0 H ARG A 32 5.372 -5.702 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 32 7.152 -4.473 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.283 -5.189 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.798 -3.866 0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.994 -4.104 2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.290 -3.221 2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.648 -2.617 0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.591 -1.994 1.276 1.00 0.00 H new ATOM 0 HE ARG A 32 8.201 -0.994 0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.064 -1.584 3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.775 -0.295 4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.108 0.661 1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.490 0.970 3.471 1.00 0.00 H new ATOM 464 N LYS A 33 8.084 -6.912 -1.517 1.00 0.00 N ATOM 465 CA LYS A 33 9.001 -7.869 -2.126 1.00 0.00 C ATOM 466 C LYS A 33 9.279 -7.505 -3.581 1.00 0.00 C ATOM 467 O LYS A 33 8.425 -6.941 -4.265 1.00 0.00 O ATOM 468 CB LYS A 33 8.422 -9.283 -2.044 1.00 0.00 C ATOM 469 CG LYS A 33 9.211 -10.310 -2.839 1.00 0.00 C ATOM 470 CD LYS A 33 8.625 -11.703 -2.687 1.00 0.00 C ATOM 471 CE LYS A 33 9.031 -12.608 -3.840 1.00 0.00 C ATOM 472 NZ LYS A 33 8.070 -13.729 -4.030 1.00 0.00 N ATOM 0 H LYS A 33 7.161 -6.879 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 33 9.941 -7.836 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.388 -9.593 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.394 -9.267 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.217 -10.030 -3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.248 -10.312 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.960 -12.139 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.538 -11.638 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.092 -12.022 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.026 -13.011 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.382 -14.323 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.031 -14.303 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.125 -13.345 -4.234 1.00 0.00 H new ATOM 486 N LYS A 34 10.478 -7.834 -4.049 1.00 0.00 N ATOM 487 CA LYS A 34 10.868 -7.545 -5.424 1.00 0.00 C ATOM 488 C LYS A 34 9.975 -8.289 -6.411 1.00 0.00 C ATOM 489 O LYS A 34 10.084 -9.505 -6.568 1.00 0.00 O ATOM 490 CB LYS A 34 12.332 -7.931 -5.652 1.00 0.00 C ATOM 491 CG LYS A 34 12.777 -7.797 -7.098 1.00 0.00 C ATOM 492 CD LYS A 34 13.155 -6.365 -7.435 1.00 0.00 C ATOM 493 CE LYS A 34 14.492 -5.981 -6.819 1.00 0.00 C ATOM 494 NZ LYS A 34 15.634 -6.338 -7.705 1.00 0.00 N ATOM 0 H LYS A 34 11.197 -8.301 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 34 10.750 -6.474 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.966 -7.304 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.482 -8.961 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.630 -8.451 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.975 -8.128 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.204 -6.246 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.380 -5.689 -7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.507 -4.909 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.607 -6.483 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.527 -6.060 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.636 -7.364 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.538 -5.839 -8.613 1.00 0.00 H new ATOM 508 N VAL A 35 9.092 -7.551 -7.077 1.00 0.00 N ATOM 509 CA VAL A 35 8.182 -8.141 -8.051 1.00 0.00 C ATOM 510 C VAL A 35 8.753 -8.051 -9.462 1.00 0.00 C ATOM 511 O VAL A 35 8.706 -9.015 -10.225 1.00 0.00 O ATOM 512 CB VAL A 35 6.805 -7.452 -8.022 1.00 0.00 C ATOM 513 CG1 VAL A 35 6.255 -7.418 -6.604 1.00 0.00 C ATOM 514 CG2 VAL A 35 6.900 -6.048 -8.599 1.00 0.00 C ATOM 0 H VAL A 35 8.988 -6.543 -6.959 1.00 0.00 H new ATOM 0 HA VAL A 35 8.062 -9.189 -7.777 1.00 0.00 H new ATOM 0 HB VAL A 35 6.116 -8.028 -8.640 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.282 -6.928 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.149 -8.436 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.940 -6.866 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.918 -5.576 -8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.603 -5.459 -8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.247 -6.101 -9.631 1.00 0.00 H new ATOM 524 N GLY A 36 9.295 -6.885 -9.802 1.00 0.00 N ATOM 525 CA GLY A 36 9.868 -6.690 -11.121 1.00 0.00 C ATOM 526 C GLY A 36 8.821 -6.704 -12.216 1.00 0.00 C ATOM 527 O GLY A 36 8.091 -5.728 -12.401 1.00 0.00 O ATOM 0 H GLY A 36 9.347 -6.072 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.402 -5.740 -11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.602 -7.473 -11.314 1.00 0.00 H new ATOM 531 N LEU A 37 8.745 -7.811 -12.947 1.00 0.00 N ATOM 532 CA LEU A 37 7.780 -7.947 -14.032 1.00 0.00 C ATOM 533 C LEU A 37 6.510 -8.638 -13.547 1.00 0.00 C ATOM 534 O LEU A 37 5.408 -8.328 -14.001 1.00 0.00 O ATOM 535 CB LEU A 37 8.393 -8.737 -15.190 1.00 0.00 C ATOM 536 CG LEU A 37 7.954 -8.319 -16.594 1.00 0.00 C ATOM 537 CD1 LEU A 37 6.482 -8.633 -16.808 1.00 0.00 C ATOM 538 CD2 LEU A 37 8.224 -6.838 -16.818 1.00 0.00 C ATOM 0 H LEU A 37 9.340 -8.627 -12.808 1.00 0.00 H new ATOM 0 HA LEU A 37 7.518 -6.948 -14.380 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.478 -8.650 -15.129 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.150 -9.791 -15.054 1.00 0.00 H new ATOM 0 HG LEU A 37 8.535 -8.888 -17.320 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.187 -8.329 -17.812 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.318 -9.704 -16.690 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.884 -8.092 -16.075 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.906 -6.558 -17.822 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.670 -6.252 -16.085 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.291 -6.642 -16.708 1.00 0.00 H new ATOM 550 N THR A 38 6.670 -9.577 -12.619 1.00 0.00 N ATOM 551 CA THR A 38 5.537 -10.311 -12.071 1.00 0.00 C ATOM 552 C THR A 38 4.643 -9.401 -11.236 1.00 0.00 C ATOM 553 O THR A 38 3.628 -9.837 -10.695 1.00 0.00 O ATOM 554 CB THR A 38 6.001 -11.494 -11.200 1.00 0.00 C ATOM 555 OG1 THR A 38 6.932 -11.038 -10.211 1.00 0.00 O ATOM 556 CG2 THR A 38 6.650 -12.573 -12.055 1.00 0.00 C ATOM 0 H THR A 38 7.574 -9.847 -12.231 1.00 0.00 H new ATOM 0 HA THR A 38 4.970 -10.694 -12.919 1.00 0.00 H new ATOM 0 HB THR A 38 5.127 -11.919 -10.707 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.202 -10.118 -10.415 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.970 -13.398 -11.419 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.931 -12.938 -12.788 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.515 -12.157 -12.571 1.00 0.00 H new ATOM 564 N GLY A 39 5.028 -8.132 -11.136 1.00 0.00 N ATOM 565 CA GLY A 39 4.250 -7.179 -10.365 1.00 0.00 C ATOM 566 C GLY A 39 2.776 -7.212 -10.720 1.00 0.00 C ATOM 567 O GLY A 39 2.387 -7.795 -11.732 1.00 0.00 O ATOM 0 H GLY A 39 5.864 -7.747 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.370 -7.392 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.639 -6.175 -10.535 1.00 0.00 H new ATOM 571 N PHE A 40 1.954 -6.586 -9.885 1.00 0.00 N ATOM 572 CA PHE A 40 0.514 -6.548 -10.115 1.00 0.00 C ATOM 573 C PHE A 40 -0.065 -5.194 -9.714 1.00 0.00 C ATOM 574 O PHE A 40 0.062 -4.769 -8.565 1.00 0.00 O ATOM 575 CB PHE A 40 -0.178 -7.664 -9.332 1.00 0.00 C ATOM 576 CG PHE A 40 -1.279 -8.340 -10.098 1.00 0.00 C ATOM 577 CD1 PHE A 40 -2.569 -7.835 -10.073 1.00 0.00 C ATOM 578 CD2 PHE A 40 -1.025 -9.480 -10.843 1.00 0.00 C ATOM 579 CE1 PHE A 40 -3.585 -8.455 -10.776 1.00 0.00 C ATOM 580 CE2 PHE A 40 -2.036 -10.105 -11.548 1.00 0.00 C ATOM 581 CZ PHE A 40 -3.317 -9.591 -11.516 1.00 0.00 C ATOM 0 H PHE A 40 2.260 -6.098 -9.043 1.00 0.00 H new ATOM 0 HA PHE A 40 0.337 -6.698 -11.180 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.564 -8.409 -9.044 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.588 -7.250 -8.411 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.783 -6.947 -9.498 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.024 -9.885 -10.873 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.587 -8.052 -10.747 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.824 -10.994 -12.123 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.108 -10.076 -12.068 1.00 0.00 H new ATOM 591 N ASP A 41 -0.700 -4.523 -10.668 1.00 0.00 N ATOM 592 CA ASP A 41 -1.300 -3.218 -10.414 1.00 0.00 C ATOM 593 C ASP A 41 -2.776 -3.359 -10.054 1.00 0.00 C ATOM 594 O ASP A 41 -3.589 -3.781 -10.877 1.00 0.00 O ATOM 595 CB ASP A 41 -1.145 -2.315 -11.639 1.00 0.00 C ATOM 596 CG ASP A 41 -1.481 -3.032 -12.933 1.00 0.00 C ATOM 597 OD1 ASP A 41 -2.682 -3.252 -13.194 1.00 0.00 O ATOM 598 OD2 ASP A 41 -0.542 -3.373 -13.683 1.00 0.00 O ATOM 0 H ASP A 41 -0.813 -4.861 -11.624 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.781 -2.765 -9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.793 -1.445 -11.530 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.121 -1.945 -11.687 1.00 0.00 H new ATOM 603 N CYS A 42 -3.115 -3.004 -8.820 1.00 0.00 N ATOM 604 CA CYS A 42 -4.492 -3.091 -8.349 1.00 0.00 C ATOM 605 C CYS A 42 -5.274 -1.834 -8.717 1.00 0.00 C ATOM 606 O CYS A 42 -4.692 -0.820 -9.103 1.00 0.00 O ATOM 607 CB CYS A 42 -4.522 -3.299 -6.833 1.00 0.00 C ATOM 608 SG CYS A 42 -6.167 -3.722 -6.174 1.00 0.00 S ATOM 0 H CYS A 42 -2.454 -2.653 -8.127 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.963 -3.945 -8.836 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.822 -4.093 -6.572 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.169 -2.390 -6.345 1.00 0.00 H new ATOM 613 N ARG A 43 -6.595 -1.908 -8.594 1.00 0.00 N ATOM 614 CA ARG A 43 -7.457 -0.777 -8.914 1.00 0.00 C ATOM 615 C ARG A 43 -7.218 0.379 -7.948 1.00 0.00 C ATOM 616 O ARG A 43 -7.314 1.548 -8.324 1.00 0.00 O ATOM 617 CB ARG A 43 -8.926 -1.199 -8.869 1.00 0.00 C ATOM 618 CG ARG A 43 -9.243 -2.399 -9.746 1.00 0.00 C ATOM 619 CD ARG A 43 -9.557 -1.978 -11.174 1.00 0.00 C ATOM 620 NE ARG A 43 -10.487 -2.897 -11.823 1.00 0.00 N ATOM 621 CZ ARG A 43 -10.115 -4.038 -12.394 1.00 0.00 C ATOM 622 NH1 ARG A 43 -8.839 -4.397 -12.395 1.00 0.00 N ATOM 623 NH2 ARG A 43 -11.020 -4.821 -12.966 1.00 0.00 N ATOM 0 H ARG A 43 -7.092 -2.740 -8.275 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.214 -0.441 -9.922 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.197 -1.431 -7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.546 -0.358 -9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.396 -3.085 -9.746 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.092 -2.941 -9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.982 -0.974 -11.171 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.633 -1.931 -11.750 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.477 -2.650 -11.839 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.140 -3.797 -11.957 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.556 -5.273 -12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.003 -4.548 -12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.733 -5.696 -13.404 1.00 0.00 H new ATOM 637 N CYS A 44 -6.907 0.046 -6.699 1.00 0.00 N ATOM 638 CA CYS A 44 -6.656 1.055 -5.678 1.00 0.00 C ATOM 639 C CYS A 44 -5.404 1.862 -6.007 1.00 0.00 C ATOM 640 O CYS A 44 -5.074 2.825 -5.316 1.00 0.00 O ATOM 641 CB CYS A 44 -6.505 0.394 -4.306 1.00 0.00 C ATOM 642 SG CYS A 44 -5.039 -0.677 -4.153 1.00 0.00 S ATOM 0 H CYS A 44 -6.823 -0.916 -6.370 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.508 1.734 -5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.455 1.171 -3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.397 -0.198 -4.100 1.00 0.00 H new ATOM 647 N GLY A 45 -4.709 1.460 -7.067 1.00 0.00 N ATOM 648 CA GLY A 45 -3.501 2.157 -7.470 1.00 0.00 C ATOM 649 C GLY A 45 -2.288 1.721 -6.672 1.00 0.00 C ATOM 650 O GLY A 45 -1.494 2.553 -6.233 1.00 0.00 O ATOM 0 H GLY A 45 -4.961 0.664 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.318 1.979 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.646 3.230 -7.348 1.00 0.00 H new ATOM 654 N ASN A 46 -2.144 0.413 -6.483 1.00 0.00 N ATOM 655 CA ASN A 46 -1.020 -0.131 -5.730 1.00 0.00 C ATOM 656 C ASN A 46 -0.361 -1.278 -6.490 1.00 0.00 C ATOM 657 O ASN A 46 -0.907 -1.781 -7.473 1.00 0.00 O ATOM 658 CB ASN A 46 -1.486 -0.615 -4.356 1.00 0.00 C ATOM 659 CG ASN A 46 -1.476 0.491 -3.319 1.00 0.00 C ATOM 660 OD1 ASN A 46 -0.572 1.327 -3.295 1.00 0.00 O ATOM 661 ND2 ASN A 46 -2.484 0.501 -2.454 1.00 0.00 N ATOM 0 H ASN A 46 -2.791 -0.289 -6.841 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.285 0.663 -5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.494 -1.022 -4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.841 -1.428 -4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.530 1.221 -1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.212 -0.211 -2.511 1.00 0.00 H new ATOM 668 N LEU A 47 0.815 -1.689 -6.028 1.00 0.00 N ATOM 669 CA LEU A 47 1.549 -2.778 -6.662 1.00 0.00 C ATOM 670 C LEU A 47 1.641 -3.986 -5.735 1.00 0.00 C ATOM 671 O LEU A 47 1.927 -3.848 -4.546 1.00 0.00 O ATOM 672 CB LEU A 47 2.952 -2.313 -7.054 1.00 0.00 C ATOM 673 CG LEU A 47 3.948 -3.416 -7.415 1.00 0.00 C ATOM 674 CD1 LEU A 47 3.536 -4.106 -8.706 1.00 0.00 C ATOM 675 CD2 LEU A 47 5.354 -2.846 -7.538 1.00 0.00 C ATOM 0 H LEU A 47 1.281 -1.284 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 47 1.007 -3.074 -7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.865 -1.637 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.365 -1.734 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 47 3.946 -4.156 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.257 -4.888 -8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.548 -4.549 -8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.508 -3.377 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.049 -3.645 -7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.371 -2.085 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.650 -2.399 -6.589 1.00 0.00 H new ATOM 687 N PHE A 48 1.399 -5.170 -6.288 1.00 0.00 N ATOM 688 CA PHE A 48 1.456 -6.402 -5.511 1.00 0.00 C ATOM 689 C PHE A 48 2.195 -7.495 -6.278 1.00 0.00 C ATOM 690 O PHE A 48 2.265 -7.468 -7.507 1.00 0.00 O ATOM 691 CB PHE A 48 0.043 -6.875 -5.161 1.00 0.00 C ATOM 692 CG PHE A 48 -0.787 -5.828 -4.476 1.00 0.00 C ATOM 693 CD1 PHE A 48 -1.480 -4.882 -5.215 1.00 0.00 C ATOM 694 CD2 PHE A 48 -0.875 -5.789 -3.094 1.00 0.00 C ATOM 695 CE1 PHE A 48 -2.244 -3.917 -4.587 1.00 0.00 C ATOM 696 CE2 PHE A 48 -1.638 -4.826 -2.461 1.00 0.00 C ATOM 697 CZ PHE A 48 -2.324 -3.889 -3.208 1.00 0.00 C ATOM 0 H PHE A 48 1.162 -5.302 -7.271 1.00 0.00 H new ATOM 0 HA PHE A 48 2.002 -6.197 -4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.463 -7.188 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.111 -7.752 -4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.422 -4.899 -6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.341 -6.520 -2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.779 -3.185 -5.174 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.698 -4.806 -1.383 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.922 -3.136 -2.716 1.00 0.00 H new ATOM 707 N CYS A 49 2.745 -8.456 -5.544 1.00 0.00 N ATOM 708 CA CYS A 49 3.480 -9.558 -6.152 1.00 0.00 C ATOM 709 C CYS A 49 2.524 -10.620 -6.687 1.00 0.00 C ATOM 710 O CYS A 49 2.902 -11.777 -6.869 1.00 0.00 O ATOM 711 CB CYS A 49 4.437 -10.183 -5.136 1.00 0.00 C ATOM 712 SG CYS A 49 3.618 -10.831 -3.643 1.00 0.00 S ATOM 0 H CYS A 49 2.695 -8.494 -4.526 1.00 0.00 H new ATOM 0 HA CYS A 49 4.057 -9.160 -6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.983 -10.994 -5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.173 -9.436 -4.838 1.00 0.00 H new ATOM 717 N GLY A 50 1.281 -10.218 -6.936 1.00 0.00 N ATOM 718 CA GLY A 50 0.289 -11.147 -7.447 1.00 0.00 C ATOM 719 C GLY A 50 -0.327 -11.996 -6.354 1.00 0.00 C ATOM 720 O GLY A 50 -1.509 -12.338 -6.415 1.00 0.00 O ATOM 0 H GLY A 50 0.943 -9.266 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.497 -10.590 -7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.752 -11.796 -8.190 1.00 0.00 H new ATOM 724 N LEU A 51 0.474 -12.340 -5.351 1.00 0.00 N ATOM 725 CA LEU A 51 0.001 -13.157 -4.239 1.00 0.00 C ATOM 726 C LEU A 51 -0.902 -12.347 -3.314 1.00 0.00 C ATOM 727 O LEU A 51 -1.659 -12.908 -2.520 1.00 0.00 O ATOM 728 CB LEU A 51 1.186 -13.718 -3.452 1.00 0.00 C ATOM 729 CG LEU A 51 2.033 -14.768 -4.171 1.00 0.00 C ATOM 730 CD1 LEU A 51 2.995 -14.103 -5.144 1.00 0.00 C ATOM 731 CD2 LEU A 51 2.793 -15.621 -3.166 1.00 0.00 C ATOM 0 H LEU A 51 1.454 -12.066 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.578 -13.984 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.834 -12.888 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.808 -14.156 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 51 1.366 -15.418 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.590 -14.866 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.430 -13.537 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.656 -13.429 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.390 -16.363 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.449 -14.985 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.085 -16.127 -2.510 1.00 0.00 H new ATOM 743 N HIS A 52 -0.818 -11.025 -3.422 1.00 0.00 N ATOM 744 CA HIS A 52 -1.629 -10.137 -2.597 1.00 0.00 C ATOM 745 C HIS A 52 -2.578 -9.310 -3.459 1.00 0.00 C ATOM 746 O HIS A 52 -3.511 -8.688 -2.951 1.00 0.00 O ATOM 747 CB HIS A 52 -0.733 -9.212 -1.773 1.00 0.00 C ATOM 748 CG HIS A 52 0.049 -9.925 -0.713 1.00 0.00 C ATOM 749 ND1 HIS A 52 1.423 -10.039 -0.741 1.00 0.00 N ATOM 750 CD2 HIS A 52 -0.357 -10.560 0.411 1.00 0.00 C ATOM 751 CE1 HIS A 52 1.828 -10.716 0.319 1.00 0.00 C ATOM 752 NE2 HIS A 52 0.767 -11.043 1.035 1.00 0.00 N ATOM 0 H HIS A 52 -0.196 -10.545 -4.073 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.223 -10.752 -1.921 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.041 -8.700 -2.441 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.350 -8.445 -1.304 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.376 -10.667 0.754 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.852 -10.960 0.559 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.780 -11.569 1.909 1.00 0.00 H new ATOM 760 N ARG A 53 -2.333 -9.308 -4.765 1.00 0.00 N ATOM 761 CA ARG A 53 -3.165 -8.556 -5.697 1.00 0.00 C ATOM 762 C ARG A 53 -4.638 -8.656 -5.314 1.00 0.00 C ATOM 763 O ARG A 53 -5.430 -7.763 -5.615 1.00 0.00 O ATOM 764 CB ARG A 53 -2.962 -9.070 -7.124 1.00 0.00 C ATOM 765 CG ARG A 53 -3.546 -10.453 -7.362 1.00 0.00 C ATOM 766 CD ARG A 53 -3.003 -11.074 -8.639 1.00 0.00 C ATOM 767 NE ARG A 53 -3.973 -11.966 -9.270 1.00 0.00 N ATOM 768 CZ ARG A 53 -3.652 -12.870 -10.188 1.00 0.00 C ATOM 769 NH1 ARG A 53 -2.392 -13.002 -10.581 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.591 -13.645 -10.715 1.00 0.00 N ATOM 0 H ARG A 53 -1.565 -9.818 -5.202 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.865 -7.509 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.417 -8.368 -7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.895 -9.093 -7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.313 -11.098 -6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.632 -10.385 -7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.729 -10.284 -9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.093 -11.630 -8.413 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.951 -11.890 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.667 -12.408 -10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.148 -13.697 -11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.561 -13.547 -10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.343 -14.339 -11.420 1.00 0.00 H new ATOM 784 N TYR A 54 -4.998 -9.748 -4.649 1.00 0.00 N ATOM 785 CA TYR A 54 -6.377 -9.967 -4.228 1.00 0.00 C ATOM 786 C TYR A 54 -6.852 -8.841 -3.315 1.00 0.00 C ATOM 787 O TYR A 54 -6.053 -8.203 -2.629 1.00 0.00 O ATOM 788 CB TYR A 54 -6.505 -11.310 -3.508 1.00 0.00 C ATOM 789 CG TYR A 54 -5.698 -12.418 -4.146 1.00 0.00 C ATOM 790 CD1 TYR A 54 -5.263 -12.319 -5.462 1.00 0.00 C ATOM 791 CD2 TYR A 54 -5.371 -13.565 -3.433 1.00 0.00 C ATOM 792 CE1 TYR A 54 -4.525 -13.329 -6.049 1.00 0.00 C ATOM 793 CE2 TYR A 54 -4.632 -14.580 -4.011 1.00 0.00 C ATOM 794 CZ TYR A 54 -4.212 -14.457 -5.319 1.00 0.00 C ATOM 795 OH TYR A 54 -3.478 -15.466 -5.900 1.00 0.00 O ATOM 0 H TYR A 54 -4.354 -10.495 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.005 -9.978 -5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.186 -11.190 -2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.555 -11.603 -3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.506 -11.437 -6.036 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.700 -13.665 -2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.195 -13.236 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.385 -15.464 -3.442 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.343 -16.188 -5.251 1.00 0.00 H new ATOM 805 N SER A 55 -8.160 -8.602 -3.312 1.00 0.00 N ATOM 806 CA SER A 55 -8.743 -7.551 -2.486 1.00 0.00 C ATOM 807 C SER A 55 -8.825 -7.989 -1.027 1.00 0.00 C ATOM 808 O SER A 55 -8.673 -7.178 -0.114 1.00 0.00 O ATOM 809 CB SER A 55 -10.137 -7.185 -3.000 1.00 0.00 C ATOM 810 OG SER A 55 -10.923 -8.344 -3.212 1.00 0.00 O ATOM 0 H SER A 55 -8.836 -9.122 -3.872 1.00 0.00 H new ATOM 0 HA SER A 55 -8.098 -6.674 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.633 -6.532 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.049 -6.626 -3.932 1.00 0.00 H new ATOM 0 HG SER A 55 -11.760 -8.095 -3.657 1.00 0.00 H new ATOM 816 N ASP A 56 -9.067 -9.278 -0.816 1.00 0.00 N ATOM 817 CA ASP A 56 -9.169 -9.827 0.532 1.00 0.00 C ATOM 818 C ASP A 56 -7.804 -10.285 1.036 1.00 0.00 C ATOM 819 O ASP A 56 -7.709 -11.024 2.016 1.00 0.00 O ATOM 820 CB ASP A 56 -10.155 -10.996 0.556 1.00 0.00 C ATOM 821 CG ASP A 56 -11.595 -10.537 0.667 1.00 0.00 C ATOM 822 OD1 ASP A 56 -12.061 -10.312 1.804 1.00 0.00 O ATOM 823 OD2 ASP A 56 -12.256 -10.400 -0.383 1.00 0.00 O ATOM 0 H ASP A 56 -9.196 -9.963 -1.561 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.535 -9.041 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.034 -11.588 -0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.919 -11.649 1.396 1.00 0.00 H new ATOM 828 N LYS A 57 -6.750 -9.841 0.361 1.00 0.00 N ATOM 829 CA LYS A 57 -5.389 -10.204 0.739 1.00 0.00 C ATOM 830 C LYS A 57 -4.667 -9.020 1.374 1.00 0.00 C ATOM 831 O LYS A 57 -4.084 -9.142 2.452 1.00 0.00 O ATOM 832 CB LYS A 57 -4.611 -10.694 -0.484 1.00 0.00 C ATOM 833 CG LYS A 57 -4.803 -12.172 -0.775 1.00 0.00 C ATOM 834 CD LYS A 57 -4.272 -13.037 0.356 1.00 0.00 C ATOM 835 CE LYS A 57 -3.933 -14.439 -0.127 1.00 0.00 C ATOM 836 NZ LYS A 57 -3.287 -15.252 0.940 1.00 0.00 N ATOM 0 H LYS A 57 -6.812 -9.228 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.445 -11.009 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.920 -10.118 -1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.550 -10.497 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.862 -12.379 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.292 -12.430 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.383 -12.573 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.015 -13.095 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.842 -14.937 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.268 -14.376 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.072 -16.200 0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.406 -14.790 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.932 -15.334 1.752 1.00 0.00 H new ATOM 850 N HIS A 58 -4.710 -7.876 0.700 1.00 0.00 N ATOM 851 CA HIS A 58 -4.061 -6.669 1.200 1.00 0.00 C ATOM 852 C HIS A 58 -5.094 -5.663 1.699 1.00 0.00 C ATOM 853 O HIS A 58 -4.803 -4.476 1.834 1.00 0.00 O ATOM 854 CB HIS A 58 -3.202 -6.035 0.105 1.00 0.00 C ATOM 855 CG HIS A 58 -4.001 -5.425 -1.005 1.00 0.00 C ATOM 856 ND1 HIS A 58 -4.024 -5.937 -2.285 1.00 0.00 N ATOM 857 CD2 HIS A 58 -4.810 -4.340 -1.020 1.00 0.00 C ATOM 858 CE1 HIS A 58 -4.812 -5.192 -3.040 1.00 0.00 C ATOM 859 NE2 HIS A 58 -5.302 -4.216 -2.296 1.00 0.00 N ATOM 0 H HIS A 58 -5.187 -7.759 -0.194 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.421 -6.951 2.036 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.569 -5.267 0.550 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.539 -6.794 -0.310 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.513 -6.762 -2.600 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.028 -3.692 -0.184 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.020 -5.353 -4.087 1.00 0.00 H new ATOM 867 N ASN A 59 -6.302 -6.148 1.969 1.00 0.00 N ATOM 868 CA ASN A 59 -7.378 -5.290 2.452 1.00 0.00 C ATOM 869 C ASN A 59 -7.620 -4.129 1.492 1.00 0.00 C ATOM 870 O ASN A 59 -7.711 -2.974 1.909 1.00 0.00 O ATOM 871 CB ASN A 59 -7.046 -4.754 3.846 1.00 0.00 C ATOM 872 CG ASN A 59 -6.745 -5.863 4.835 1.00 0.00 C ATOM 873 OD1 ASN A 59 -5.569 -6.468 4.706 1.00 0.00 O flip ATOM 874 ND2 ASN A 59 -7.559 -6.173 5.705 1.00 0.00 N flip ATOM 0 H ASN A 59 -6.560 -7.129 1.862 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.288 -5.888 2.508 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.187 -4.086 3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.883 -4.161 4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.451 -5.681 5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.342 -6.921 6.363 1.00 0.00 H new ATOM 881 N CYS A 60 -7.725 -4.443 0.205 1.00 0.00 N ATOM 882 CA CYS A 60 -7.956 -3.428 -0.814 1.00 0.00 C ATOM 883 C CYS A 60 -9.105 -2.507 -0.414 1.00 0.00 C ATOM 884 O CYS A 60 -10.245 -2.937 -0.235 1.00 0.00 O ATOM 885 CB CYS A 60 -8.262 -4.087 -2.161 1.00 0.00 C ATOM 886 SG CYS A 60 -8.305 -2.927 -3.564 1.00 0.00 S ATOM 0 H CYS A 60 -7.654 -5.394 -0.157 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.049 -2.830 -0.907 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.510 -4.851 -2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.224 -4.595 -2.094 1.00 0.00 H new ATOM 891 N PRO A 61 -8.801 -1.209 -0.269 1.00 0.00 N ATOM 892 CA PRO A 61 -9.794 -0.200 0.110 1.00 0.00 C ATOM 893 C PRO A 61 -10.808 0.061 -0.998 1.00 0.00 C ATOM 894 O PRO A 61 -11.977 0.341 -0.730 1.00 0.00 O ATOM 895 CB PRO A 61 -8.949 1.051 0.367 1.00 0.00 C ATOM 896 CG PRO A 61 -7.723 0.855 -0.456 1.00 0.00 C ATOM 897 CD PRO A 61 -7.463 -0.626 -0.466 1.00 0.00 C ATOM 0 HA PRO A 61 -10.387 -0.515 0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.482 1.956 0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.704 1.153 1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.868 1.233 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.878 1.397 -0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.018 -0.950 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.776 -0.919 0.328 1.00 0.00 H new ATOM 905 N TYR A 62 -10.355 -0.034 -2.243 1.00 0.00 N ATOM 906 CA TYR A 62 -11.223 0.194 -3.392 1.00 0.00 C ATOM 907 C TYR A 62 -12.566 -0.506 -3.207 1.00 0.00 C ATOM 908 O TYR A 62 -12.735 -1.319 -2.299 1.00 0.00 O ATOM 909 CB TYR A 62 -10.549 -0.301 -4.673 1.00 0.00 C ATOM 910 CG TYR A 62 -10.571 0.709 -5.798 1.00 0.00 C ATOM 911 CD1 TYR A 62 -10.157 2.019 -5.589 1.00 0.00 C ATOM 912 CD2 TYR A 62 -11.005 0.354 -7.068 1.00 0.00 C ATOM 913 CE1 TYR A 62 -10.175 2.946 -6.613 1.00 0.00 C ATOM 914 CE2 TYR A 62 -11.025 1.274 -8.099 1.00 0.00 C ATOM 915 CZ TYR A 62 -10.610 2.568 -7.867 1.00 0.00 C ATOM 916 OH TYR A 62 -10.630 3.487 -8.890 1.00 0.00 O ATOM 0 H TYR A 62 -9.391 -0.267 -2.482 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.401 1.266 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.514 -0.563 -4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.045 -1.213 -5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.815 2.318 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.333 -0.658 -7.253 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.851 3.960 -6.433 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.364 0.981 -9.082 1.00 0.00 H new ATOM 0 HH TYR A 62 -10.962 3.060 -9.707 1.00 0.00 H new ATOM 926 N ASP A 63 -13.518 -0.183 -4.076 1.00 0.00 N ATOM 927 CA ASP A 63 -14.846 -0.781 -4.011 1.00 0.00 C ATOM 928 C ASP A 63 -15.312 -1.222 -5.396 1.00 0.00 C ATOM 929 O ASP A 63 -16.459 -1.630 -5.575 1.00 0.00 O ATOM 930 CB ASP A 63 -15.847 0.210 -3.415 1.00 0.00 C ATOM 931 CG ASP A 63 -17.114 -0.467 -2.931 1.00 0.00 C ATOM 932 OD1 ASP A 63 -17.053 -1.666 -2.587 1.00 0.00 O ATOM 933 OD2 ASP A 63 -18.168 0.203 -2.897 1.00 0.00 O ATOM 0 H ASP A 63 -13.395 0.489 -4.833 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.790 -1.660 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.380 0.738 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.102 0.959 -4.165 1.00 0.00 H new ATOM 938 N TYR A 64 -14.414 -1.136 -6.371 1.00 0.00 N ATOM 939 CA TYR A 64 -14.734 -1.522 -7.740 1.00 0.00 C ATOM 940 C TYR A 64 -15.734 -2.674 -7.762 1.00 0.00 C ATOM 941 O TYR A 64 -16.589 -2.753 -8.643 1.00 0.00 O ATOM 942 CB TYR A 64 -13.462 -1.922 -8.490 1.00 0.00 C ATOM 943 CG TYR A 64 -12.786 -3.150 -7.923 1.00 0.00 C ATOM 944 CD1 TYR A 64 -12.270 -3.150 -6.633 1.00 0.00 C ATOM 945 CD2 TYR A 64 -12.663 -4.310 -8.678 1.00 0.00 C ATOM 946 CE1 TYR A 64 -11.651 -4.270 -6.111 1.00 0.00 C ATOM 947 CE2 TYR A 64 -12.047 -5.435 -8.164 1.00 0.00 C ATOM 948 CZ TYR A 64 -11.542 -5.409 -6.880 1.00 0.00 C ATOM 949 OH TYR A 64 -10.927 -6.527 -6.364 1.00 0.00 O ATOM 0 H TYR A 64 -13.459 -0.803 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 64 -15.186 -0.663 -8.236 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.709 -2.104 -9.536 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -12.760 -1.088 -8.468 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.354 -2.259 -6.028 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -13.056 -4.333 -9.684 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.255 -4.253 -5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.961 -6.329 -8.763 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.934 -7.243 -7.033 1.00 0.00 H new ATOM 959 N LYS A 65 -15.619 -3.567 -6.784 1.00 0.00 N ATOM 960 CA LYS A 65 -16.513 -4.715 -6.687 1.00 0.00 C ATOM 961 C LYS A 65 -17.972 -4.270 -6.679 1.00 0.00 C ATOM 962 O LYS A 65 -18.775 -4.730 -7.490 1.00 0.00 O ATOM 963 CB LYS A 65 -16.207 -5.519 -5.421 1.00 0.00 C ATOM 964 CG LYS A 65 -16.246 -4.690 -4.149 1.00 0.00 C ATOM 965 CD LYS A 65 -15.268 -5.214 -3.111 1.00 0.00 C ATOM 966 CE LYS A 65 -13.857 -4.706 -3.369 1.00 0.00 C ATOM 967 NZ LYS A 65 -12.838 -5.502 -2.631 1.00 0.00 N ATOM 0 H LYS A 65 -14.915 -3.517 -6.047 1.00 0.00 H new ATOM 0 HA LYS A 65 -16.349 -5.346 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.926 -6.334 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -15.221 -5.973 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.008 -3.652 -4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.255 -4.701 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.591 -4.906 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.272 -6.304 -3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.646 -4.747 -4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.787 -3.660 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.930 -4.994 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.151 -5.641 -1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.720 -6.427 -3.091 1.00 0.00 H new ATOM 981 N ALA A 66 -18.307 -3.371 -5.759 1.00 0.00 N ATOM 982 CA ALA A 66 -19.668 -2.861 -5.649 1.00 0.00 C ATOM 983 C ALA A 66 -19.996 -1.918 -6.802 1.00 0.00 C ATOM 984 O ALA A 66 -21.101 -1.945 -7.342 1.00 0.00 O ATOM 985 CB ALA A 66 -19.861 -2.155 -4.316 1.00 0.00 C ATOM 0 H ALA A 66 -17.654 -2.981 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.352 -3.708 -5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.882 -1.779 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -19.678 -2.857 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.162 -1.322 -4.241 1.00 0.00 H new ATOM 991 N GLU A 67 -19.028 -1.084 -7.172 1.00 0.00 N ATOM 992 CA GLU A 67 -19.217 -0.132 -8.260 1.00 0.00 C ATOM 993 C GLU A 67 -19.885 -0.800 -9.458 1.00 0.00 C ATOM 994 O GLU A 67 -19.213 -1.366 -10.320 1.00 0.00 O ATOM 995 CB GLU A 67 -17.873 0.469 -8.680 1.00 0.00 C ATOM 996 CG GLU A 67 -18.003 1.780 -9.437 1.00 0.00 C ATOM 997 CD GLU A 67 -18.999 1.698 -10.578 1.00 0.00 C ATOM 998 OE1 GLU A 67 -18.825 0.827 -11.455 1.00 0.00 O ATOM 999 OE2 GLU A 67 -19.951 2.506 -10.593 1.00 0.00 O ATOM 0 H GLU A 67 -18.107 -1.049 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.868 0.666 -7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.263 0.631 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.342 -0.250 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.311 2.565 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.028 2.066 -9.831 1.00 0.00 H new ATOM 1006 N ALA A 68 -21.211 -0.728 -9.505 1.00 0.00 N ATOM 1007 CA ALA A 68 -21.970 -1.324 -10.597 1.00 0.00 C ATOM 1008 C ALA A 68 -23.118 -0.417 -11.027 1.00 0.00 C ATOM 1009 O ALA A 68 -23.449 0.550 -10.340 1.00 0.00 O ATOM 1010 CB ALA A 68 -22.499 -2.691 -10.188 1.00 0.00 C ATOM 0 H ALA A 68 -21.782 -0.263 -8.799 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.300 -1.446 -11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -23.064 -3.124 -11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.663 -3.345 -9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -23.149 -2.585 -9.320 1.00 0.00 H new ATOM 1016 N SER A 69 -23.722 -0.734 -12.168 1.00 0.00 N ATOM 1017 CA SER A 69 -24.830 0.056 -12.691 1.00 0.00 C ATOM 1018 C SER A 69 -26.159 -0.664 -12.477 1.00 0.00 C ATOM 1019 O SER A 69 -26.429 -1.690 -13.098 1.00 0.00 O ATOM 1020 CB SER A 69 -24.625 0.338 -14.181 1.00 0.00 C ATOM 1021 OG SER A 69 -25.471 1.385 -14.623 1.00 0.00 O ATOM 0 H SER A 69 -23.463 -1.532 -12.748 1.00 0.00 H new ATOM 0 HA SER A 69 -24.857 1.002 -12.150 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.584 0.605 -14.364 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.828 -0.565 -14.757 1.00 0.00 H new ATOM 0 HG SER A 69 -25.320 1.547 -15.578 1.00 0.00 H new ATOM 1027 N GLY A 70 -26.985 -0.116 -11.591 1.00 0.00 N ATOM 1028 CA GLY A 70 -28.275 -0.718 -11.309 1.00 0.00 C ATOM 1029 C GLY A 70 -28.473 -1.000 -9.833 1.00 0.00 C ATOM 1030 O GLY A 70 -29.280 -0.359 -9.159 1.00 0.00 O ATOM 0 H GLY A 70 -26.784 0.734 -11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -29.066 -0.055 -11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -28.369 -1.648 -11.869 1.00 0.00 H new ATOM 1034 N PRO A 71 -27.726 -1.983 -9.309 1.00 0.00 N ATOM 1035 CA PRO A 71 -27.806 -2.372 -7.898 1.00 0.00 C ATOM 1036 C PRO A 71 -27.232 -1.307 -6.969 1.00 0.00 C ATOM 1037 O PRO A 71 -26.019 -1.106 -6.914 1.00 0.00 O ATOM 1038 CB PRO A 71 -26.963 -3.648 -7.834 1.00 0.00 C ATOM 1039 CG PRO A 71 -26.008 -3.529 -8.971 1.00 0.00 C ATOM 1040 CD PRO A 71 -26.744 -2.789 -10.054 1.00 0.00 C ATOM 0 HA PRO A 71 -28.837 -2.508 -7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -26.437 -3.728 -6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -27.584 -4.538 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -25.109 -2.990 -8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -25.689 -4.512 -9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -26.072 -2.163 -10.641 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -27.230 -3.473 -10.749 1.00 0.00 H new ATOM 1048 N SER A 72 -28.113 -0.628 -6.241 1.00 0.00 N ATOM 1049 CA SER A 72 -27.694 0.419 -5.317 1.00 0.00 C ATOM 1050 C SER A 72 -26.824 -0.156 -4.203 1.00 0.00 C ATOM 1051 O SER A 72 -27.191 -1.138 -3.558 1.00 0.00 O ATOM 1052 CB SER A 72 -28.915 1.118 -4.716 1.00 0.00 C ATOM 1053 OG SER A 72 -28.536 2.008 -3.681 1.00 0.00 O ATOM 0 H SER A 72 -29.120 -0.784 -6.273 1.00 0.00 H new ATOM 0 HA SER A 72 -27.106 1.147 -5.875 1.00 0.00 H new ATOM 0 HB2 SER A 72 -29.444 1.666 -5.495 1.00 0.00 H new ATOM 0 HB3 SER A 72 -29.608 0.373 -4.324 1.00 0.00 H new ATOM 0 HG SER A 72 -29.334 2.443 -3.315 1.00 0.00 H new ATOM 1059 N SER A 73 -25.669 0.464 -3.983 1.00 0.00 N ATOM 1060 CA SER A 73 -24.744 0.013 -2.950 1.00 0.00 C ATOM 1061 C SER A 73 -23.877 1.167 -2.455 1.00 0.00 C ATOM 1062 O SER A 73 -23.240 1.863 -3.245 1.00 0.00 O ATOM 1063 CB SER A 73 -23.857 -1.113 -3.486 1.00 0.00 C ATOM 1064 OG SER A 73 -24.603 -2.303 -3.676 1.00 0.00 O ATOM 0 H SER A 73 -25.352 1.280 -4.506 1.00 0.00 H new ATOM 0 HA SER A 73 -25.330 -0.364 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 73 -23.407 -0.807 -4.431 1.00 0.00 H new ATOM 0 HB3 SER A 73 -23.040 -1.300 -2.789 1.00 0.00 H new ATOM 0 HG SER A 73 -25.553 -2.121 -3.521 1.00 0.00 H new ATOM 1070 N GLY A 74 -23.858 1.363 -1.140 1.00 0.00 N ATOM 1071 CA GLY A 74 -23.066 2.433 -0.561 1.00 0.00 C ATOM 1072 C GLY A 74 -21.580 2.241 -0.785 1.00 0.00 C ATOM 1073 O GLY A 74 -21.111 1.104 -0.753 1.00 0.00 O ATOM 0 H GLY A 74 -24.377 0.800 -0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -23.375 3.385 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -23.265 2.490 0.509 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 3.292 -9.320 -1.920 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -5.972 -2.790 -4.002 1.00 0.00 ZN