USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 539 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 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0664 (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 20:sc= 0.547 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= -0.123 (180deg=-0.722) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0141 F(o=-2.5!,f=-0.014) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 78:sc= 0.423 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -156:sc= -0.141 (180deg=-1.27) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 39 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.9) USER MOD Single : A 42 GLN : amide:sc= -2.32 K(o=-2.3,f=-6.2!) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.473 (180deg=-1.07) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.908 K(o=-0.91,f=-4.9!) USER MOD Single : A 63 SER OG : rot 35:sc= 1.09 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 73 SER OG : rot 28:sc= 0.604 USER MOD Single : A 76 SER OG : rot 11:sc= 0.527! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.638 17.611 21.962 1.00 0.00 N ATOM 2 CA GLY A 1 22.207 17.855 21.957 1.00 0.00 C ATOM 3 C GLY A 1 21.526 17.281 20.730 1.00 0.00 C ATOM 4 O GLY A 1 22.048 16.367 20.092 1.00 0.00 O ATOM 0 H1 GLY A 1 23.913 17.176 22.866 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.884 16.970 21.181 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.144 18.512 21.843 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.764 17.419 22.852 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.024 18.929 22.002 1.00 0.00 H new ATOM 8 N SER A 2 20.355 17.817 20.401 1.00 0.00 N ATOM 9 CA SER A 2 19.598 17.349 19.246 1.00 0.00 C ATOM 10 C SER A 2 18.662 18.438 18.732 1.00 0.00 C ATOM 11 O SER A 2 17.963 19.089 19.509 1.00 0.00 O ATOM 12 CB SER A 2 18.794 16.099 19.609 1.00 0.00 C ATOM 13 OG SER A 2 18.553 15.297 18.466 1.00 0.00 O ATOM 0 H SER A 2 19.910 18.575 20.918 1.00 0.00 H new ATOM 0 HA SER A 2 20.306 17.100 18.455 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.336 15.519 20.356 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.845 16.391 20.059 1.00 0.00 H new ATOM 0 HG SER A 2 18.039 14.504 18.725 1.00 0.00 H new ATOM 19 N SER A 3 18.653 18.630 17.417 1.00 0.00 N ATOM 20 CA SER A 3 17.807 19.643 16.797 1.00 0.00 C ATOM 21 C SER A 3 17.154 19.104 15.528 1.00 0.00 C ATOM 22 O SER A 3 17.705 18.233 14.856 1.00 0.00 O ATOM 23 CB SER A 3 18.625 20.894 16.472 1.00 0.00 C ATOM 24 OG SER A 3 17.785 21.967 16.083 1.00 0.00 O ATOM 0 H SER A 3 19.222 18.097 16.760 1.00 0.00 H new ATOM 0 HA SER A 3 17.021 19.906 17.505 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.212 21.185 17.343 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.331 20.673 15.672 1.00 0.00 H new ATOM 0 HG SER A 3 18.332 22.755 15.882 1.00 0.00 H new ATOM 30 N GLY A 4 15.976 19.629 15.206 1.00 0.00 N ATOM 31 CA GLY A 4 15.267 19.190 14.018 1.00 0.00 C ATOM 32 C GLY A 4 14.346 20.258 13.464 1.00 0.00 C ATOM 33 O GLY A 4 14.367 21.402 13.918 1.00 0.00 O ATOM 0 H GLY A 4 15.500 20.351 15.747 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.989 18.905 13.253 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.685 18.300 14.255 1.00 0.00 H new ATOM 37 N SER A 5 13.536 19.886 12.478 1.00 0.00 N ATOM 38 CA SER A 5 12.607 20.822 11.857 1.00 0.00 C ATOM 39 C SER A 5 11.414 20.086 11.256 1.00 0.00 C ATOM 40 O SER A 5 11.339 18.858 11.305 1.00 0.00 O ATOM 41 CB SER A 5 13.318 21.635 10.773 1.00 0.00 C ATOM 42 OG SER A 5 14.074 22.690 11.340 1.00 0.00 O ATOM 0 H SER A 5 13.505 18.942 12.092 1.00 0.00 H new ATOM 0 HA SER A 5 12.242 21.499 12.629 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.974 20.983 10.196 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.583 22.042 10.079 1.00 0.00 H new ATOM 0 HG SER A 5 14.247 22.497 12.285 1.00 0.00 H new ATOM 48 N SER A 6 10.482 20.845 10.690 1.00 0.00 N ATOM 49 CA SER A 6 9.289 20.267 10.082 1.00 0.00 C ATOM 50 C SER A 6 8.938 20.985 8.783 1.00 0.00 C ATOM 51 O SER A 6 9.211 22.174 8.624 1.00 0.00 O ATOM 52 CB SER A 6 8.109 20.340 11.053 1.00 0.00 C ATOM 53 OG SER A 6 7.894 21.670 11.495 1.00 0.00 O ATOM 0 H SER A 6 10.530 21.863 10.640 1.00 0.00 H new ATOM 0 HA SER A 6 9.499 19.222 9.854 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.209 19.965 10.565 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.299 19.695 11.911 1.00 0.00 H new ATOM 0 HG SER A 6 7.134 21.690 12.113 1.00 0.00 H new ATOM 59 N GLY A 7 8.331 20.252 7.854 1.00 0.00 N ATOM 60 CA GLY A 7 7.953 20.834 6.580 1.00 0.00 C ATOM 61 C GLY A 7 6.720 20.180 5.986 1.00 0.00 C ATOM 62 O GLY A 7 6.669 19.913 4.786 1.00 0.00 O ATOM 0 H GLY A 7 8.095 19.266 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.767 21.900 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.783 20.739 5.880 1.00 0.00 H new ATOM 66 N GLU A 8 5.726 19.920 6.830 1.00 0.00 N ATOM 67 CA GLU A 8 4.490 19.290 6.381 1.00 0.00 C ATOM 68 C GLU A 8 3.746 20.191 5.400 1.00 0.00 C ATOM 69 O GLU A 8 3.165 21.205 5.789 1.00 0.00 O ATOM 70 CB GLU A 8 3.592 18.969 7.578 1.00 0.00 C ATOM 71 CG GLU A 8 2.190 18.534 7.186 1.00 0.00 C ATOM 72 CD GLU A 8 1.241 18.490 8.369 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.474 17.674 9.285 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.266 19.270 8.378 1.00 0.00 O ATOM 0 H GLU A 8 5.753 20.136 7.827 1.00 0.00 H new ATOM 0 HA GLU A 8 4.749 18.362 5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.057 18.180 8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.525 19.849 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.797 19.220 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.235 17.548 6.724 1.00 0.00 H new ATOM 81 N ASP A 9 3.769 19.815 4.126 1.00 0.00 N ATOM 82 CA ASP A 9 3.096 20.587 3.088 1.00 0.00 C ATOM 83 C ASP A 9 1.694 20.044 2.829 1.00 0.00 C ATOM 84 O ASP A 9 1.465 18.835 2.806 1.00 0.00 O ATOM 85 CB ASP A 9 3.913 20.564 1.795 1.00 0.00 C ATOM 86 CG ASP A 9 5.398 20.735 2.046 1.00 0.00 C ATOM 87 OD1 ASP A 9 5.778 21.726 2.704 1.00 0.00 O ATOM 88 OD2 ASP A 9 6.181 19.879 1.583 1.00 0.00 O ATOM 0 H ASP A 9 4.247 18.980 3.787 1.00 0.00 H new ATOM 0 HA ASP A 9 3.008 21.617 3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.741 19.621 1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.565 21.358 1.135 1.00 0.00 H new ATOM 93 N PRO A 10 0.733 20.958 2.629 1.00 0.00 N ATOM 94 CA PRO A 10 -0.663 20.595 2.368 1.00 0.00 C ATOM 95 C PRO A 10 -0.849 19.956 0.996 1.00 0.00 C ATOM 96 O PRO A 10 -1.972 19.662 0.584 1.00 0.00 O ATOM 97 CB PRO A 10 -1.398 21.936 2.438 1.00 0.00 C ATOM 98 CG PRO A 10 -0.362 22.953 2.103 1.00 0.00 C ATOM 99 CD PRO A 10 0.935 22.417 2.642 1.00 0.00 C ATOM 0 HA PRO A 10 -1.031 19.855 3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.229 21.970 1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.815 22.108 3.430 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.302 23.109 1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.602 23.917 2.552 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.781 22.711 2.020 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.135 22.786 3.648 1.00 0.00 H new ATOM 107 N PHE A 11 0.258 19.743 0.293 1.00 0.00 N ATOM 108 CA PHE A 11 0.216 19.139 -1.034 1.00 0.00 C ATOM 109 C PHE A 11 0.641 17.675 -0.979 1.00 0.00 C ATOM 110 O PHE A 11 1.404 17.207 -1.823 1.00 0.00 O ATOM 111 CB PHE A 11 1.124 19.909 -1.996 1.00 0.00 C ATOM 112 CG PHE A 11 0.423 21.026 -2.716 1.00 0.00 C ATOM 113 CD1 PHE A 11 -0.293 21.980 -2.012 1.00 0.00 C ATOM 114 CD2 PHE A 11 0.482 21.122 -4.097 1.00 0.00 C ATOM 115 CE1 PHE A 11 -0.939 23.008 -2.672 1.00 0.00 C ATOM 116 CE2 PHE A 11 -0.162 22.148 -4.763 1.00 0.00 C ATOM 117 CZ PHE A 11 -0.872 23.093 -4.049 1.00 0.00 C ATOM 0 H PHE A 11 1.195 19.979 0.620 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.811 19.188 -1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.966 20.319 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.534 19.215 -2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.347 21.920 -0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.038 20.387 -4.660 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.496 23.744 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.110 22.210 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.374 23.897 -4.566 1.00 0.00 H new ATOM 127 N GLN A 12 0.141 16.958 0.023 1.00 0.00 N ATOM 128 CA GLN A 12 0.470 15.547 0.189 1.00 0.00 C ATOM 129 C GLN A 12 -0.795 14.695 0.235 1.00 0.00 C ATOM 130 O GLN A 12 -1.780 15.039 0.888 1.00 0.00 O ATOM 131 CB GLN A 12 1.286 15.339 1.466 1.00 0.00 C ATOM 132 CG GLN A 12 0.513 15.645 2.739 1.00 0.00 C ATOM 133 CD GLN A 12 1.388 15.609 3.976 1.00 0.00 C ATOM 134 OE1 GLN A 12 2.610 15.496 3.883 1.00 0.00 O ATOM 135 NE2 GLN A 12 0.765 15.706 5.145 1.00 0.00 N ATOM 0 H GLN A 12 -0.492 17.330 0.731 1.00 0.00 H new ATOM 0 HA GLN A 12 1.065 15.235 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.633 14.306 1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.172 15.972 1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.053 16.629 2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.297 14.924 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.250 15.798 5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.302 15.688 6.012 1.00 0.00 H new ATOM 144 N PRO A 13 -0.768 13.557 -0.474 1.00 0.00 N ATOM 145 CA PRO A 13 -1.904 12.633 -0.530 1.00 0.00 C ATOM 146 C PRO A 13 -2.135 11.916 0.796 1.00 0.00 C ATOM 147 O PRO A 13 -1.435 12.167 1.777 1.00 0.00 O ATOM 148 CB PRO A 13 -1.495 11.632 -1.614 1.00 0.00 C ATOM 149 CG PRO A 13 -0.006 11.671 -1.622 1.00 0.00 C ATOM 150 CD PRO A 13 0.373 13.084 -1.275 1.00 0.00 C ATOM 0 HA PRO A 13 -2.840 13.151 -0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.864 10.631 -1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.904 11.911 -2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.407 10.967 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.386 11.390 -2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.304 13.123 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.517 13.692 -2.168 1.00 0.00 H new ATOM 158 N GLU A 14 -3.119 11.023 0.818 1.00 0.00 N ATOM 159 CA GLU A 14 -3.441 10.271 2.025 1.00 0.00 C ATOM 160 C GLU A 14 -2.577 9.018 2.132 1.00 0.00 C ATOM 161 O GLU A 14 -3.027 7.913 1.828 1.00 0.00 O ATOM 162 CB GLU A 14 -4.921 9.885 2.034 1.00 0.00 C ATOM 163 CG GLU A 14 -5.828 10.960 2.610 1.00 0.00 C ATOM 164 CD GLU A 14 -5.665 11.117 4.109 1.00 0.00 C ATOM 165 OE1 GLU A 14 -6.030 10.179 4.848 1.00 0.00 O ATOM 166 OE2 GLU A 14 -5.173 12.180 4.544 1.00 0.00 O ATOM 0 H GLU A 14 -3.707 10.803 0.014 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.235 10.909 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.236 9.664 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.045 8.969 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.613 11.911 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.866 10.714 2.385 1.00 0.00 H new ATOM 173 N ILE A 15 -1.333 9.199 2.564 1.00 0.00 N ATOM 174 CA ILE A 15 -0.406 8.083 2.711 1.00 0.00 C ATOM 175 C ILE A 15 -0.369 7.586 4.152 1.00 0.00 C ATOM 176 O ILE A 15 -0.705 8.319 5.083 1.00 0.00 O ATOM 177 CB ILE A 15 1.019 8.475 2.277 1.00 0.00 C ATOM 178 CG1 ILE A 15 1.073 8.693 0.764 1.00 0.00 C ATOM 179 CG2 ILE A 15 2.014 7.405 2.700 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.407 9.211 0.275 1.00 0.00 C ATOM 0 H ILE A 15 -0.944 10.107 2.818 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.767 7.284 2.063 1.00 0.00 H new ATOM 0 HB ILE A 15 1.289 9.409 2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.852 7.751 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.292 9.398 0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.017 7.696 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.991 7.295 3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.749 6.457 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.372 9.342 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.622 10.168 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.190 8.497 0.529 1.00 0.00 H new ATOM 192 N LYS A 16 0.045 6.336 4.330 1.00 0.00 N ATOM 193 CA LYS A 16 0.130 5.740 5.658 1.00 0.00 C ATOM 194 C LYS A 16 1.566 5.338 5.982 1.00 0.00 C ATOM 195 O LYS A 16 2.127 5.763 6.992 1.00 0.00 O ATOM 196 CB LYS A 16 -0.786 4.518 5.751 1.00 0.00 C ATOM 197 CG LYS A 16 -0.672 3.771 7.068 1.00 0.00 C ATOM 198 CD LYS A 16 -1.599 4.353 8.122 1.00 0.00 C ATOM 199 CE LYS A 16 -0.887 5.388 8.980 1.00 0.00 C ATOM 200 NZ LYS A 16 0.242 4.791 9.746 1.00 0.00 N ATOM 0 H LYS A 16 0.327 5.716 3.571 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.194 6.485 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.819 4.837 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.551 3.835 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.912 2.719 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.357 3.814 7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.461 4.811 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.979 3.552 8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.511 6.190 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.599 5.837 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.382 5.322 10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.024 3.799 9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.110 4.834 9.175 1.00 0.00 H new ATOM 214 N VAL A 17 2.155 4.517 5.119 1.00 0.00 N ATOM 215 CA VAL A 17 3.526 4.060 5.312 1.00 0.00 C ATOM 216 C VAL A 17 3.608 3.025 6.429 1.00 0.00 C ATOM 217 O VAL A 17 4.370 3.184 7.382 1.00 0.00 O ATOM 218 CB VAL A 17 4.467 5.233 5.644 1.00 0.00 C ATOM 219 CG1 VAL A 17 5.919 4.827 5.442 1.00 0.00 C ATOM 220 CG2 VAL A 17 4.122 6.448 4.798 1.00 0.00 C ATOM 0 H VAL A 17 1.704 4.154 4.279 1.00 0.00 H new ATOM 0 HA VAL A 17 3.843 3.604 4.374 1.00 0.00 H new ATOM 0 HB VAL A 17 4.332 5.499 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.569 5.669 5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.156 3.988 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.074 4.533 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.797 7.267 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.227 6.198 3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.094 6.751 4.999 1.00 0.00 H new ATOM 230 N ARG A 18 2.818 1.964 6.304 1.00 0.00 N ATOM 231 CA ARG A 18 2.800 0.902 7.303 1.00 0.00 C ATOM 232 C ARG A 18 3.769 -0.214 6.927 1.00 0.00 C ATOM 233 O ARG A 18 3.489 -1.394 7.144 1.00 0.00 O ATOM 234 CB ARG A 18 1.387 0.336 7.453 1.00 0.00 C ATOM 235 CG ARG A 18 0.591 0.975 8.580 1.00 0.00 C ATOM 236 CD ARG A 18 -0.668 0.180 8.892 1.00 0.00 C ATOM 237 NE ARG A 18 -0.382 -1.006 9.694 1.00 0.00 N ATOM 238 CZ ARG A 18 -1.311 -1.691 10.350 1.00 0.00 C ATOM 239 NH1 ARG A 18 -2.580 -1.310 10.299 1.00 0.00 N ATOM 240 NH2 ARG A 18 -0.973 -2.760 11.060 1.00 0.00 N ATOM 0 H ARG A 18 2.182 1.817 5.521 1.00 0.00 H new ATOM 0 HA ARG A 18 3.115 1.329 8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.848 0.474 6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.452 -0.738 7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.212 1.041 9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.320 1.994 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.375 0.816 9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.148 -0.120 7.960 1.00 0.00 H new ATOM 0 HE ARG A 18 0.585 -1.326 9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.844 -0.489 9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.292 -1.838 10.804 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.002 -3.057 11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.688 -3.285 11.563 1.00 0.00 H new ATOM 254 N CYS A 19 4.911 0.165 6.362 1.00 0.00 N ATOM 255 CA CYS A 19 5.922 -0.803 5.954 1.00 0.00 C ATOM 256 C CYS A 19 6.235 -1.773 7.090 1.00 0.00 C ATOM 257 O CYS A 19 5.785 -1.589 8.221 1.00 0.00 O ATOM 258 CB CYS A 19 7.199 -0.084 5.517 1.00 0.00 C ATOM 259 SG CYS A 19 8.179 -0.995 4.280 1.00 0.00 S ATOM 0 H CYS A 19 5.159 1.137 6.176 1.00 0.00 H new ATOM 0 HA CYS A 19 5.527 -1.371 5.112 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.933 0.891 5.108 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.820 0.097 6.395 1.00 0.00 H new ATOM 264 N VAL A 20 7.009 -2.808 6.780 1.00 0.00 N ATOM 265 CA VAL A 20 7.384 -3.807 7.773 1.00 0.00 C ATOM 266 C VAL A 20 8.674 -3.416 8.486 1.00 0.00 C ATOM 267 O VAL A 20 8.894 -3.785 9.640 1.00 0.00 O ATOM 268 CB VAL A 20 7.565 -5.196 7.132 1.00 0.00 C ATOM 269 CG1 VAL A 20 6.239 -5.717 6.601 1.00 0.00 C ATOM 270 CG2 VAL A 20 8.607 -5.139 6.025 1.00 0.00 C ATOM 0 H VAL A 20 7.389 -2.976 5.848 1.00 0.00 H new ATOM 0 HA VAL A 20 6.571 -3.853 8.498 1.00 0.00 H new ATOM 0 HB VAL A 20 7.918 -5.887 7.898 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.387 -6.699 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.525 -5.797 7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.853 -5.029 5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.723 -6.129 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.285 -4.434 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.561 -4.813 6.440 1.00 0.00 H new ATOM 280 N CYS A 21 9.523 -2.667 7.792 1.00 0.00 N ATOM 281 CA CYS A 21 10.792 -2.224 8.358 1.00 0.00 C ATOM 282 C CYS A 21 10.569 -1.449 9.653 1.00 0.00 C ATOM 283 O CYS A 21 11.460 -1.360 10.497 1.00 0.00 O ATOM 284 CB CYS A 21 11.546 -1.353 7.352 1.00 0.00 C ATOM 285 SG CYS A 21 10.675 0.181 6.896 1.00 0.00 S ATOM 0 H CYS A 21 9.356 -2.353 6.836 1.00 0.00 H new ATOM 0 HA CYS A 21 11.390 -3.107 8.583 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.520 -1.095 7.769 1.00 0.00 H new ATOM 0 HB3 CYS A 21 11.730 -1.936 6.449 1.00 0.00 H new ATOM 290 N GLY A 22 9.373 -0.888 9.802 1.00 0.00 N ATOM 291 CA GLY A 22 9.054 -0.128 10.997 1.00 0.00 C ATOM 292 C GLY A 22 9.143 1.369 10.772 1.00 0.00 C ATOM 293 O GLY A 22 8.534 2.150 11.501 1.00 0.00 O ATOM 0 H GLY A 22 8.619 -0.946 9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.048 -0.383 11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.736 -0.413 11.798 1.00 0.00 H new ATOM 297 N ASN A 23 9.906 1.769 9.760 1.00 0.00 N ATOM 298 CA ASN A 23 10.074 3.183 9.442 1.00 0.00 C ATOM 299 C ASN A 23 8.802 3.757 8.825 1.00 0.00 C ATOM 300 O ASN A 23 8.099 3.075 8.080 1.00 0.00 O ATOM 301 CB ASN A 23 11.251 3.375 8.484 1.00 0.00 C ATOM 302 CG ASN A 23 12.586 3.385 9.203 1.00 0.00 C ATOM 303 OD1 ASN A 23 13.293 4.507 9.123 1.00 0.00 O flip ATOM 304 ND2 ASN A 23 12.977 2.397 9.824 1.00 0.00 N flip ATOM 0 H ASN A 23 10.417 1.135 9.146 1.00 0.00 H new ATOM 0 HA ASN A 23 10.279 3.717 10.370 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.247 2.576 7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.126 4.313 7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.401 1.556 9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.877 2.419 10.304 1.00 0.00 H new ATOM 311 N SER A 24 8.514 5.016 9.141 1.00 0.00 N ATOM 312 CA SER A 24 7.326 5.681 8.620 1.00 0.00 C ATOM 313 C SER A 24 7.709 6.813 7.671 1.00 0.00 C ATOM 314 O SER A 24 7.068 7.865 7.650 1.00 0.00 O ATOM 315 CB SER A 24 6.477 6.229 9.769 1.00 0.00 C ATOM 316 OG SER A 24 6.221 5.226 10.737 1.00 0.00 O ATOM 0 H SER A 24 9.087 5.595 9.755 1.00 0.00 H new ATOM 0 HA SER A 24 6.743 4.946 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.991 7.068 10.237 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.534 6.611 9.378 1.00 0.00 H new ATOM 0 HG SER A 24 5.678 5.602 11.462 1.00 0.00 H new ATOM 322 N LEU A 25 8.758 6.590 6.888 1.00 0.00 N ATOM 323 CA LEU A 25 9.228 7.590 5.935 1.00 0.00 C ATOM 324 C LEU A 25 8.894 7.179 4.505 1.00 0.00 C ATOM 325 O LEU A 25 8.717 5.997 4.214 1.00 0.00 O ATOM 326 CB LEU A 25 10.737 7.792 6.081 1.00 0.00 C ATOM 327 CG LEU A 25 11.618 6.641 5.595 1.00 0.00 C ATOM 328 CD1 LEU A 25 11.961 6.815 4.123 1.00 0.00 C ATOM 329 CD2 LEU A 25 12.886 6.549 6.432 1.00 0.00 C ATOM 0 H LEU A 25 9.300 5.726 6.894 1.00 0.00 H new ATOM 0 HA LEU A 25 8.719 8.530 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.017 8.693 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.959 7.974 7.133 1.00 0.00 H new ATOM 0 HG LEU A 25 11.062 5.711 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.589 5.986 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.043 6.830 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.497 7.754 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.501 5.724 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.445 7.481 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.622 6.376 7.475 1.00 0.00 H new ATOM 341 N GLU A 26 8.812 8.164 3.616 1.00 0.00 N ATOM 342 CA GLU A 26 8.501 7.904 2.215 1.00 0.00 C ATOM 343 C GLU A 26 9.749 8.036 1.347 1.00 0.00 C ATOM 344 O GLU A 26 10.632 8.848 1.627 1.00 0.00 O ATOM 345 CB GLU A 26 7.419 8.867 1.722 1.00 0.00 C ATOM 346 CG GLU A 26 6.015 8.476 2.150 1.00 0.00 C ATOM 347 CD GLU A 26 5.072 9.661 2.211 1.00 0.00 C ATOM 348 OE1 GLU A 26 5.336 10.665 1.516 1.00 0.00 O ATOM 349 OE2 GLU A 26 4.070 9.586 2.953 1.00 0.00 O ATOM 0 H GLU A 26 8.956 9.148 3.841 1.00 0.00 H new ATOM 0 HA GLU A 26 8.131 6.882 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.638 9.868 2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.457 8.917 0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.619 7.737 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.057 8.000 3.129 1.00 0.00 H new ATOM 356 N THR A 27 9.817 7.232 0.290 1.00 0.00 N ATOM 357 CA THR A 27 10.956 7.257 -0.618 1.00 0.00 C ATOM 358 C THR A 27 10.525 7.637 -2.030 1.00 0.00 C ATOM 359 O THR A 27 9.335 7.790 -2.306 1.00 0.00 O ATOM 360 CB THR A 27 11.670 5.893 -0.661 1.00 0.00 C ATOM 361 OG1 THR A 27 10.772 4.885 -1.140 1.00 0.00 O ATOM 362 CG2 THR A 27 12.185 5.508 0.717 1.00 0.00 C ATOM 0 H THR A 27 9.095 6.555 0.042 1.00 0.00 H new ATOM 0 HA THR A 27 11.647 8.009 -0.237 1.00 0.00 H new ATOM 0 HB THR A 27 12.520 5.974 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.689 4.956 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.685 4.541 0.661 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.891 6.262 1.066 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.349 5.444 1.413 1.00 0.00 H new ATOM 370 N ASP A 28 11.499 7.787 -2.921 1.00 0.00 N ATOM 371 CA ASP A 28 11.220 8.147 -4.306 1.00 0.00 C ATOM 372 C ASP A 28 10.188 7.203 -4.916 1.00 0.00 C ATOM 373 O ASP A 28 9.286 7.634 -5.634 1.00 0.00 O ATOM 374 CB ASP A 28 12.507 8.119 -5.132 1.00 0.00 C ATOM 375 CG ASP A 28 13.559 9.069 -4.596 1.00 0.00 C ATOM 376 OD1 ASP A 28 13.378 10.297 -4.738 1.00 0.00 O ATOM 377 OD2 ASP A 28 14.564 8.585 -4.034 1.00 0.00 O ATOM 0 H ASP A 28 12.489 7.665 -2.709 1.00 0.00 H new ATOM 0 HA ASP A 28 10.812 9.158 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.908 7.105 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.278 8.380 -6.165 1.00 0.00 H new ATOM 382 N SER A 29 10.329 5.914 -4.626 1.00 0.00 N ATOM 383 CA SER A 29 9.413 4.908 -5.149 1.00 0.00 C ATOM 384 C SER A 29 8.772 4.113 -4.015 1.00 0.00 C ATOM 385 O SER A 29 9.427 3.783 -3.027 1.00 0.00 O ATOM 386 CB SER A 29 10.150 3.960 -6.098 1.00 0.00 C ATOM 387 OG SER A 29 11.237 3.329 -5.445 1.00 0.00 O ATOM 0 H SER A 29 11.069 5.542 -4.031 1.00 0.00 H new ATOM 0 HA SER A 29 8.625 5.422 -5.699 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.459 3.205 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.514 4.516 -6.962 1.00 0.00 H new ATOM 0 HG SER A 29 11.690 2.727 -6.072 1.00 0.00 H new ATOM 393 N MET A 30 7.487 3.809 -4.166 1.00 0.00 N ATOM 394 CA MET A 30 6.757 3.052 -3.156 1.00 0.00 C ATOM 395 C MET A 30 5.578 2.312 -3.778 1.00 0.00 C ATOM 396 O MET A 30 5.091 2.687 -4.845 1.00 0.00 O ATOM 397 CB MET A 30 6.263 3.985 -2.048 1.00 0.00 C ATOM 398 CG MET A 30 7.377 4.527 -1.168 1.00 0.00 C ATOM 399 SD MET A 30 6.756 5.496 0.221 1.00 0.00 S ATOM 400 CE MET A 30 6.322 4.195 1.373 1.00 0.00 C ATOM 0 H MET A 30 6.930 4.075 -4.978 1.00 0.00 H new ATOM 0 HA MET A 30 7.437 2.317 -2.726 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.729 4.821 -2.500 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.547 3.449 -1.425 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.972 3.696 -0.789 1.00 0.00 H new ATOM 0 HG3 MET A 30 8.041 5.147 -1.770 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.563 4.560 2.065 1.00 0.00 H new ATOM 0 HE2 MET A 30 5.930 3.339 0.824 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.208 3.893 1.932 1.00 0.00 H new ATOM 410 N ILE A 31 5.123 1.260 -3.104 1.00 0.00 N ATOM 411 CA ILE A 31 4.001 0.469 -3.592 1.00 0.00 C ATOM 412 C ILE A 31 2.795 0.597 -2.666 1.00 0.00 C ATOM 413 O ILE A 31 2.930 0.539 -1.445 1.00 0.00 O ATOM 414 CB ILE A 31 4.376 -1.019 -3.724 1.00 0.00 C ATOM 415 CG1 ILE A 31 4.902 -1.555 -2.391 1.00 0.00 C ATOM 416 CG2 ILE A 31 5.411 -1.208 -4.823 1.00 0.00 C ATOM 417 CD1 ILE A 31 5.095 -3.055 -2.377 1.00 0.00 C ATOM 0 H ILE A 31 5.514 0.937 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 31 3.744 0.859 -4.577 1.00 0.00 H new ATOM 0 HB ILE A 31 3.482 -1.582 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.853 -1.072 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.207 -1.279 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.666 -2.265 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.003 -0.859 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.307 -0.636 -4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.470 -3.365 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.142 -3.546 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.813 -3.337 -3.147 1.00 0.00 H new ATOM 429 N GLN A 32 1.618 0.770 -3.258 1.00 0.00 N ATOM 430 CA GLN A 32 0.388 0.906 -2.486 1.00 0.00 C ATOM 431 C GLN A 32 -0.415 -0.390 -2.511 1.00 0.00 C ATOM 432 O GLN A 32 -0.658 -0.963 -3.574 1.00 0.00 O ATOM 433 CB GLN A 32 -0.459 2.055 -3.034 1.00 0.00 C ATOM 434 CG GLN A 32 -1.697 2.349 -2.203 1.00 0.00 C ATOM 435 CD GLN A 32 -2.473 3.547 -2.714 1.00 0.00 C ATOM 436 OE1 GLN A 32 -2.139 4.121 -3.751 1.00 0.00 O ATOM 437 NE2 GLN A 32 -3.516 3.930 -1.987 1.00 0.00 N ATOM 0 H GLN A 32 1.490 0.819 -4.269 1.00 0.00 H new ATOM 0 HA GLN A 32 0.659 1.125 -1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.155 2.954 -3.087 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.764 1.817 -4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.346 1.473 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.402 2.527 -1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.756 3.425 -1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.077 4.730 -2.281 1.00 0.00 H new ATOM 446 N CYS A 33 -0.825 -0.849 -1.333 1.00 0.00 N ATOM 447 CA CYS A 33 -1.600 -2.078 -1.218 1.00 0.00 C ATOM 448 C CYS A 33 -2.844 -2.021 -2.100 1.00 0.00 C ATOM 449 O CYS A 33 -3.306 -0.942 -2.470 1.00 0.00 O ATOM 450 CB CYS A 33 -2.005 -2.317 0.238 1.00 0.00 C ATOM 451 SG CYS A 33 -2.459 -4.041 0.611 1.00 0.00 S ATOM 0 H CYS A 33 -0.633 -0.387 -0.444 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.974 -2.905 -1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.180 -2.022 0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.848 -1.670 0.480 1.00 0.00 H new ATOM 456 N GLU A 34 -3.382 -3.191 -2.432 1.00 0.00 N ATOM 457 CA GLU A 34 -4.571 -3.273 -3.271 1.00 0.00 C ATOM 458 C GLU A 34 -5.833 -3.010 -2.454 1.00 0.00 C ATOM 459 O GLU A 34 -6.621 -2.122 -2.778 1.00 0.00 O ATOM 460 CB GLU A 34 -4.659 -4.649 -3.936 1.00 0.00 C ATOM 461 CG GLU A 34 -5.414 -4.640 -5.255 1.00 0.00 C ATOM 462 CD GLU A 34 -6.899 -4.390 -5.076 1.00 0.00 C ATOM 463 OE1 GLU A 34 -7.561 -5.206 -4.402 1.00 0.00 O ATOM 464 OE2 GLU A 34 -7.398 -3.377 -5.610 1.00 0.00 O ATOM 0 H GLU A 34 -3.013 -4.094 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.493 -2.508 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.651 -5.026 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.147 -5.343 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.995 -3.870 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.268 -5.595 -5.759 1.00 0.00 H new ATOM 471 N ASP A 35 -6.016 -3.789 -1.393 1.00 0.00 N ATOM 472 CA ASP A 35 -7.181 -3.641 -0.528 1.00 0.00 C ATOM 473 C ASP A 35 -7.582 -2.174 -0.403 1.00 0.00 C ATOM 474 O ASP A 35 -6.740 -1.282 -0.296 1.00 0.00 O ATOM 475 CB ASP A 35 -6.892 -4.223 0.856 1.00 0.00 C ATOM 476 CG ASP A 35 -8.146 -4.372 1.695 1.00 0.00 C ATOM 477 OD1 ASP A 35 -8.547 -3.382 2.343 1.00 0.00 O ATOM 478 OD2 ASP A 35 -8.727 -5.477 1.704 1.00 0.00 O ATOM 0 H ASP A 35 -5.373 -4.529 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.009 -4.188 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.415 -5.197 0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.184 -3.579 1.377 1.00 0.00 H new ATOM 483 N PRO A 36 -8.898 -1.916 -0.418 1.00 0.00 N ATOM 484 CA PRO A 36 -9.440 -0.559 -0.308 1.00 0.00 C ATOM 485 C PRO A 36 -9.241 0.034 1.083 1.00 0.00 C ATOM 486 O PRO A 36 -8.735 1.147 1.227 1.00 0.00 O ATOM 487 CB PRO A 36 -10.931 -0.748 -0.600 1.00 0.00 C ATOM 488 CG PRO A 36 -11.213 -2.163 -0.231 1.00 0.00 C ATOM 489 CD PRO A 36 -9.958 -2.931 -0.543 1.00 0.00 C ATOM 0 HA PRO A 36 -8.943 0.134 -0.986 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.539 -0.058 -0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.156 -0.560 -1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.469 -2.247 0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.059 -2.552 -0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.808 -3.756 0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.988 -3.360 -1.545 1.00 0.00 H new ATOM 497 N ARG A 37 -9.641 -0.717 2.104 1.00 0.00 N ATOM 498 CA ARG A 37 -9.506 -0.265 3.483 1.00 0.00 C ATOM 499 C ARG A 37 -8.038 -0.088 3.857 1.00 0.00 C ATOM 500 O ARG A 37 -7.658 0.908 4.473 1.00 0.00 O ATOM 501 CB ARG A 37 -10.169 -1.261 4.436 1.00 0.00 C ATOM 502 CG ARG A 37 -11.678 -1.351 4.271 1.00 0.00 C ATOM 503 CD ARG A 37 -12.354 -1.790 5.560 1.00 0.00 C ATOM 504 NE ARG A 37 -12.369 -0.726 6.560 1.00 0.00 N ATOM 505 CZ ARG A 37 -13.251 0.267 6.564 1.00 0.00 C ATOM 506 NH1 ARG A 37 -14.186 0.332 5.626 1.00 0.00 N ATOM 507 NH2 ARG A 37 -13.200 1.199 7.508 1.00 0.00 N ATOM 0 H ARG A 37 -10.061 -1.641 2.002 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.004 0.700 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.735 -2.248 4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.941 -0.975 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.070 -0.381 3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.917 -2.057 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.377 -2.100 5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.835 -2.659 5.964 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.663 -0.747 7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.229 -0.382 4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.862 1.096 5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.483 1.153 8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.878 1.961 7.510 1.00 0.00 H new ATOM 521 N CYS A 38 -7.215 -1.061 3.480 1.00 0.00 N ATOM 522 CA CYS A 38 -5.788 -1.014 3.775 1.00 0.00 C ATOM 523 C CYS A 38 -5.134 0.194 3.110 1.00 0.00 C ATOM 524 O CYS A 38 -4.736 1.146 3.782 1.00 0.00 O ATOM 525 CB CYS A 38 -5.107 -2.301 3.304 1.00 0.00 C ATOM 526 SG CYS A 38 -3.525 -2.652 4.137 1.00 0.00 S ATOM 0 H CYS A 38 -7.512 -1.892 2.969 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.668 -0.921 4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.785 -3.139 3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.933 -2.236 2.230 1.00 0.00 H new ATOM 531 N HIS A 39 -5.027 0.148 1.786 1.00 0.00 N ATOM 532 CA HIS A 39 -4.423 1.239 1.030 1.00 0.00 C ATOM 533 C HIS A 39 -3.191 1.781 1.749 1.00 0.00 C ATOM 534 O HIS A 39 -3.038 2.991 1.914 1.00 0.00 O ATOM 535 CB HIS A 39 -5.437 2.362 0.815 1.00 0.00 C ATOM 536 CG HIS A 39 -6.291 2.173 -0.402 1.00 0.00 C ATOM 537 ND1 HIS A 39 -7.494 2.820 -0.584 1.00 0.00 N ATOM 538 CD2 HIS A 39 -6.108 1.405 -1.501 1.00 0.00 C ATOM 539 CE1 HIS A 39 -8.016 2.457 -1.743 1.00 0.00 C ATOM 540 NE2 HIS A 39 -7.193 1.599 -2.319 1.00 0.00 N ATOM 0 H HIS A 39 -5.351 -0.633 1.215 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.114 0.848 0.060 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.080 2.433 1.692 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.905 3.310 0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.265 0.759 -1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.955 2.803 -2.150 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.340 1.153 -3.225 1.00 0.00 H new ATOM 549 N VAL A 40 -2.315 0.876 2.176 1.00 0.00 N ATOM 550 CA VAL A 40 -1.096 1.264 2.876 1.00 0.00 C ATOM 551 C VAL A 40 0.071 1.413 1.908 1.00 0.00 C ATOM 552 O VAL A 40 0.020 0.924 0.779 1.00 0.00 O ATOM 553 CB VAL A 40 -0.722 0.236 3.960 1.00 0.00 C ATOM 554 CG1 VAL A 40 -1.808 0.159 5.022 1.00 0.00 C ATOM 555 CG2 VAL A 40 -0.476 -1.130 3.337 1.00 0.00 C ATOM 0 H VAL A 40 -2.427 -0.130 2.049 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.295 2.225 3.349 1.00 0.00 H new ATOM 0 HB VAL A 40 0.200 0.562 4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.525 -0.573 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.930 1.136 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.748 -0.142 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.213 -1.844 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.379 -1.466 2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.341 -1.060 2.619 1.00 0.00 H new ATOM 565 N TRP A 41 1.122 2.090 2.356 1.00 0.00 N ATOM 566 CA TRP A 41 2.304 2.304 1.529 1.00 0.00 C ATOM 567 C TRP A 41 3.511 1.572 2.104 1.00 0.00 C ATOM 568 O TRP A 41 3.766 1.629 3.307 1.00 0.00 O ATOM 569 CB TRP A 41 2.606 3.798 1.411 1.00 0.00 C ATOM 570 CG TRP A 41 1.611 4.542 0.573 1.00 0.00 C ATOM 571 CD1 TRP A 41 0.363 4.949 0.950 1.00 0.00 C ATOM 572 CD2 TRP A 41 1.779 4.965 -0.785 1.00 0.00 C ATOM 573 NE1 TRP A 41 -0.254 5.600 -0.091 1.00 0.00 N ATOM 574 CE2 TRP A 41 0.594 5.623 -1.166 1.00 0.00 C ATOM 575 CE3 TRP A 41 2.817 4.853 -1.714 1.00 0.00 C ATOM 576 CZ2 TRP A 41 0.420 6.165 -2.437 1.00 0.00 C ATOM 577 CZ3 TRP A 41 2.642 5.391 -2.975 1.00 0.00 C ATOM 578 CH2 TRP A 41 1.452 6.041 -3.327 1.00 0.00 C ATOM 0 H TRP A 41 1.180 2.500 3.288 1.00 0.00 H new ATOM 0 HA TRP A 41 2.099 1.903 0.536 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.629 4.236 2.409 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.600 3.927 0.982 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.075 4.783 1.923 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.192 6.001 -0.067 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.739 4.355 -1.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.497 6.666 -2.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.437 5.309 -3.702 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.347 6.452 -4.320 1.00 0.00 H new ATOM 589 N GLN A 42 4.249 0.885 1.238 1.00 0.00 N ATOM 590 CA GLN A 42 5.430 0.142 1.663 1.00 0.00 C ATOM 591 C GLN A 42 6.593 0.374 0.705 1.00 0.00 C ATOM 592 O GLN A 42 6.437 0.277 -0.513 1.00 0.00 O ATOM 593 CB GLN A 42 5.114 -1.353 1.748 1.00 0.00 C ATOM 594 CG GLN A 42 4.081 -1.697 2.809 1.00 0.00 C ATOM 595 CD GLN A 42 4.272 -3.088 3.380 1.00 0.00 C ATOM 596 OE1 GLN A 42 4.511 -3.253 4.576 1.00 0.00 O ATOM 597 NE2 GLN A 42 4.167 -4.098 2.525 1.00 0.00 N ATOM 0 H GLN A 42 4.051 0.827 0.239 1.00 0.00 H new ATOM 0 HA GLN A 42 5.719 0.502 2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.754 -1.696 0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.034 -1.899 1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.137 -0.966 3.616 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.083 -1.619 2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.968 -3.915 1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.286 -5.057 2.852 1.00 0.00 H new ATOM 606 N HIS A 43 7.760 0.682 1.262 1.00 0.00 N ATOM 607 CA HIS A 43 8.951 0.927 0.456 1.00 0.00 C ATOM 608 C HIS A 43 9.132 -0.165 -0.593 1.00 0.00 C ATOM 609 O HIS A 43 8.710 -1.305 -0.397 1.00 0.00 O ATOM 610 CB HIS A 43 10.190 1.004 1.349 1.00 0.00 C ATOM 611 CG HIS A 43 10.207 2.202 2.247 1.00 0.00 C ATOM 612 ND1 HIS A 43 10.393 2.118 3.611 1.00 0.00 N ATOM 613 CD2 HIS A 43 10.062 3.519 1.970 1.00 0.00 C ATOM 614 CE1 HIS A 43 10.360 3.331 4.134 1.00 0.00 C ATOM 615 NE2 HIS A 43 10.161 4.199 3.159 1.00 0.00 N ATOM 0 H HIS A 43 7.906 0.768 2.268 1.00 0.00 H new ATOM 0 HA HIS A 43 8.822 1.880 -0.057 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.245 0.102 1.959 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.080 1.019 0.721 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.899 3.954 0.995 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.476 3.571 5.180 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.092 5.210 3.271 1.00 0.00 H new ATOM 623 N VAL A 44 9.763 0.190 -1.708 1.00 0.00 N ATOM 624 CA VAL A 44 10.000 -0.760 -2.788 1.00 0.00 C ATOM 625 C VAL A 44 11.160 -1.692 -2.455 1.00 0.00 C ATOM 626 O VAL A 44 11.108 -2.889 -2.735 1.00 0.00 O ATOM 627 CB VAL A 44 10.301 -0.038 -4.115 1.00 0.00 C ATOM 628 CG1 VAL A 44 10.625 -1.044 -5.209 1.00 0.00 C ATOM 629 CG2 VAL A 44 9.128 0.842 -4.520 1.00 0.00 C ATOM 0 H VAL A 44 10.119 1.129 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 44 9.087 -1.345 -2.900 1.00 0.00 H new ATOM 0 HB VAL A 44 11.173 0.600 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.835 -0.515 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.498 -1.628 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.775 -1.710 -5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.358 1.345 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.238 0.226 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.947 1.587 -3.745 1.00 0.00 H new ATOM 639 N GLY A 45 12.207 -1.134 -1.854 1.00 0.00 N ATOM 640 CA GLY A 45 13.365 -1.930 -1.492 1.00 0.00 C ATOM 641 C GLY A 45 13.265 -2.494 -0.089 1.00 0.00 C ATOM 642 O GLY A 45 14.270 -2.616 0.612 1.00 0.00 O ATOM 0 H GLY A 45 12.274 -0.145 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.475 -2.749 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.263 -1.317 -1.571 1.00 0.00 H new ATOM 646 N CYS A 46 12.050 -2.838 0.323 1.00 0.00 N ATOM 647 CA CYS A 46 11.820 -3.391 1.653 1.00 0.00 C ATOM 648 C CYS A 46 11.116 -4.742 1.566 1.00 0.00 C ATOM 649 O CYS A 46 11.603 -5.743 2.092 1.00 0.00 O ATOM 650 CB CYS A 46 10.987 -2.422 2.494 1.00 0.00 C ATOM 651 SG CYS A 46 11.973 -1.186 3.399 1.00 0.00 S ATOM 0 H CYS A 46 11.208 -2.744 -0.245 1.00 0.00 H new ATOM 0 HA CYS A 46 12.789 -3.536 2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.284 -1.904 1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.396 -2.994 3.209 1.00 0.00 H new ATOM 656 N VAL A 47 9.967 -4.763 0.898 1.00 0.00 N ATOM 657 CA VAL A 47 9.196 -5.990 0.741 1.00 0.00 C ATOM 658 C VAL A 47 9.458 -6.634 -0.616 1.00 0.00 C ATOM 659 O VAL A 47 9.628 -7.849 -0.715 1.00 0.00 O ATOM 660 CB VAL A 47 7.686 -5.727 0.889 1.00 0.00 C ATOM 661 CG1 VAL A 47 7.376 -5.154 2.263 1.00 0.00 C ATOM 662 CG2 VAL A 47 7.198 -4.794 -0.210 1.00 0.00 C ATOM 0 H VAL A 47 9.550 -3.944 0.457 1.00 0.00 H new ATOM 0 HA VAL A 47 9.518 -6.669 1.530 1.00 0.00 H new ATOM 0 HB VAL A 47 7.158 -6.675 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.304 -4.975 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.688 -5.861 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.913 -4.215 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.129 -4.619 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.731 -3.845 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.384 -5.249 -1.183 1.00 0.00 H new ATOM 672 N ILE A 48 9.491 -5.810 -1.659 1.00 0.00 N ATOM 673 CA ILE A 48 9.734 -6.299 -3.010 1.00 0.00 C ATOM 674 C ILE A 48 11.184 -6.737 -3.184 1.00 0.00 C ATOM 675 O ILE A 48 12.111 -6.018 -2.807 1.00 0.00 O ATOM 676 CB ILE A 48 9.403 -5.227 -4.065 1.00 0.00 C ATOM 677 CG1 ILE A 48 8.016 -4.636 -3.806 1.00 0.00 C ATOM 678 CG2 ILE A 48 9.480 -5.819 -5.464 1.00 0.00 C ATOM 679 CD1 ILE A 48 6.888 -5.617 -4.037 1.00 0.00 C ATOM 0 H ILE A 48 9.353 -4.802 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 48 9.078 -7.157 -3.157 1.00 0.00 H new ATOM 0 HB ILE A 48 10.138 -4.426 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.969 -4.277 -2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.872 -3.771 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.243 -5.049 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.487 -6.196 -5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.765 -6.637 -5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.934 -5.129 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.908 -5.958 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.007 -6.472 -3.371 1.00 0.00 H new ATOM 691 N LEU A 49 11.375 -7.920 -3.757 1.00 0.00 N ATOM 692 CA LEU A 49 12.713 -8.454 -3.983 1.00 0.00 C ATOM 693 C LEU A 49 13.552 -7.487 -4.813 1.00 0.00 C ATOM 694 O LEU A 49 13.191 -7.114 -5.929 1.00 0.00 O ATOM 695 CB LEU A 49 12.631 -9.809 -4.688 1.00 0.00 C ATOM 696 CG LEU A 49 11.753 -10.864 -4.013 1.00 0.00 C ATOM 697 CD1 LEU A 49 11.476 -12.016 -4.966 1.00 0.00 C ATOM 698 CD2 LEU A 49 12.412 -11.370 -2.738 1.00 0.00 C ATOM 0 H LEU A 49 10.620 -8.528 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 49 13.194 -8.584 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.258 -9.648 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.640 -10.210 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 49 10.802 -10.402 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.850 -12.757 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.961 -11.641 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.418 -12.477 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.773 -12.120 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.377 -11.815 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.558 -10.538 -2.049 1.00 0.00 H new ATOM 710 N PRO A 50 14.701 -7.073 -4.257 1.00 0.00 N ATOM 711 CA PRO A 50 15.616 -6.146 -4.930 1.00 0.00 C ATOM 712 C PRO A 50 16.312 -6.786 -6.126 1.00 0.00 C ATOM 713 O PRO A 50 17.294 -7.512 -5.971 1.00 0.00 O ATOM 714 CB PRO A 50 16.635 -5.802 -3.840 1.00 0.00 C ATOM 715 CG PRO A 50 16.608 -6.968 -2.914 1.00 0.00 C ATOM 716 CD PRO A 50 15.194 -7.477 -2.930 1.00 0.00 C ATOM 0 HA PRO A 50 15.094 -5.279 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.630 -5.654 -4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.366 -4.880 -3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 50 17.305 -7.741 -3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.905 -6.674 -1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 50 15.155 -8.558 -2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.599 -7.037 -2.129 1.00 0.00 H new ATOM 724 N ASP A 51 15.798 -6.511 -7.320 1.00 0.00 N ATOM 725 CA ASP A 51 16.371 -7.058 -8.544 1.00 0.00 C ATOM 726 C ASP A 51 16.647 -5.951 -9.557 1.00 0.00 C ATOM 727 O ASP A 51 15.728 -5.272 -10.016 1.00 0.00 O ATOM 728 CB ASP A 51 15.431 -8.100 -9.151 1.00 0.00 C ATOM 729 CG ASP A 51 15.399 -9.388 -8.351 1.00 0.00 C ATOM 730 OD1 ASP A 51 15.406 -9.312 -7.105 1.00 0.00 O ATOM 731 OD2 ASP A 51 15.366 -10.471 -8.972 1.00 0.00 O ATOM 0 H ASP A 51 14.985 -5.912 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 51 17.317 -7.537 -8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.424 -7.687 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.745 -8.318 -10.172 1.00 0.00 H new ATOM 736 N LYS A 52 17.918 -5.774 -9.901 1.00 0.00 N ATOM 737 CA LYS A 52 18.316 -4.751 -10.860 1.00 0.00 C ATOM 738 C LYS A 52 17.654 -4.987 -12.214 1.00 0.00 C ATOM 739 O LYS A 52 17.071 -4.083 -12.814 1.00 0.00 O ATOM 740 CB LYS A 52 19.838 -4.736 -11.020 1.00 0.00 C ATOM 741 CG LYS A 52 20.399 -3.369 -11.372 1.00 0.00 C ATOM 742 CD LYS A 52 20.503 -3.180 -12.876 1.00 0.00 C ATOM 743 CE LYS A 52 21.849 -3.651 -13.405 1.00 0.00 C ATOM 744 NZ LYS A 52 21.926 -5.136 -13.482 1.00 0.00 N ATOM 0 H LYS A 52 18.691 -6.326 -9.529 1.00 0.00 H new ATOM 0 HA LYS A 52 17.988 -3.784 -10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 52 20.296 -5.080 -10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 52 20.120 -5.446 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.760 -2.593 -10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 52 21.384 -3.252 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.703 -3.733 -13.369 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.362 -2.128 -13.122 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.019 -3.227 -14.395 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.644 -3.279 -12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.684 -5.411 -14.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.129 -5.522 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.019 -5.513 -13.823 1.00 0.00 H new ATOM 758 N PRO A 53 17.745 -6.230 -12.709 1.00 0.00 N ATOM 759 CA PRO A 53 17.159 -6.614 -13.997 1.00 0.00 C ATOM 760 C PRO A 53 15.635 -6.635 -13.957 1.00 0.00 C ATOM 761 O PRO A 53 14.974 -6.102 -14.848 1.00 0.00 O ATOM 762 CB PRO A 53 17.707 -8.024 -14.229 1.00 0.00 C ATOM 763 CG PRO A 53 18.000 -8.547 -12.865 1.00 0.00 C ATOM 764 CD PRO A 53 18.425 -7.357 -12.049 1.00 0.00 C ATOM 0 HA PRO A 53 17.413 -5.908 -14.787 1.00 0.00 H new ATOM 0 HB2 PRO A 53 16.980 -8.651 -14.745 1.00 0.00 H new ATOM 0 HB3 PRO A 53 18.605 -8.003 -14.846 1.00 0.00 H new ATOM 0 HG2 PRO A 53 17.120 -9.023 -12.432 1.00 0.00 H new ATOM 0 HG3 PRO A 53 18.787 -9.300 -12.896 1.00 0.00 H new ATOM 0 HD2 PRO A 53 18.121 -7.455 -11.007 1.00 0.00 H new ATOM 0 HD3 PRO A 53 19.508 -7.232 -12.055 1.00 0.00 H new ATOM 772 N MET A 54 15.083 -7.255 -12.919 1.00 0.00 N ATOM 773 CA MET A 54 13.635 -7.343 -12.764 1.00 0.00 C ATOM 774 C MET A 54 12.981 -5.982 -12.980 1.00 0.00 C ATOM 775 O MET A 54 11.950 -5.878 -13.645 1.00 0.00 O ATOM 776 CB MET A 54 13.282 -7.877 -11.374 1.00 0.00 C ATOM 777 CG MET A 54 11.911 -8.529 -11.304 1.00 0.00 C ATOM 778 SD MET A 54 10.568 -7.354 -11.564 1.00 0.00 S ATOM 779 CE MET A 54 9.154 -8.453 -11.575 1.00 0.00 C ATOM 0 H MET A 54 15.615 -7.703 -12.173 1.00 0.00 H new ATOM 0 HA MET A 54 13.255 -8.032 -13.518 1.00 0.00 H new ATOM 0 HB2 MET A 54 14.036 -8.603 -11.070 1.00 0.00 H new ATOM 0 HB3 MET A 54 13.322 -7.057 -10.658 1.00 0.00 H new ATOM 0 HG2 MET A 54 11.849 -9.317 -12.054 1.00 0.00 H new ATOM 0 HG3 MET A 54 11.789 -9.005 -10.331 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.244 -7.873 -11.727 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.262 -9.177 -12.383 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.094 -8.979 -10.622 1.00 0.00 H new ATOM 789 N ASP A 55 13.586 -4.943 -12.415 1.00 0.00 N ATOM 790 CA ASP A 55 13.063 -3.589 -12.548 1.00 0.00 C ATOM 791 C ASP A 55 12.487 -3.363 -13.942 1.00 0.00 C ATOM 792 O ASP A 55 11.381 -2.847 -14.092 1.00 0.00 O ATOM 793 CB ASP A 55 14.162 -2.564 -12.264 1.00 0.00 C ATOM 794 CG ASP A 55 14.385 -2.351 -10.779 1.00 0.00 C ATOM 795 OD1 ASP A 55 13.418 -1.977 -10.083 1.00 0.00 O ATOM 796 OD2 ASP A 55 15.526 -2.556 -10.314 1.00 0.00 O ATOM 0 H ASP A 55 14.439 -5.013 -11.860 1.00 0.00 H new ATOM 0 HA ASP A 55 12.262 -3.463 -11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 55 15.093 -2.896 -12.724 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.898 -1.614 -12.729 1.00 0.00 H new ATOM 801 N GLY A 56 13.248 -3.751 -14.961 1.00 0.00 N ATOM 802 CA GLY A 56 12.798 -3.581 -16.330 1.00 0.00 C ATOM 803 C GLY A 56 11.365 -4.034 -16.530 1.00 0.00 C ATOM 804 O GLY A 56 10.450 -3.214 -16.590 1.00 0.00 O ATOM 0 H GLY A 56 14.168 -4.180 -14.863 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.886 -2.531 -16.611 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.450 -4.145 -16.996 1.00 0.00 H new ATOM 808 N ASN A 57 11.169 -5.345 -16.635 1.00 0.00 N ATOM 809 CA ASN A 57 9.837 -5.905 -16.831 1.00 0.00 C ATOM 810 C ASN A 57 9.812 -7.387 -16.470 1.00 0.00 C ATOM 811 O ASN A 57 10.809 -8.098 -16.591 1.00 0.00 O ATOM 812 CB ASN A 57 9.390 -5.715 -18.282 1.00 0.00 C ATOM 813 CG ASN A 57 10.386 -6.286 -19.273 1.00 0.00 C ATOM 814 OD1 ASN A 57 11.591 -6.295 -19.024 1.00 0.00 O ATOM 815 ND2 ASN A 57 9.884 -6.766 -20.405 1.00 0.00 N ATOM 0 H ASN A 57 11.915 -6.039 -16.588 1.00 0.00 H new ATOM 0 HA ASN A 57 9.147 -5.377 -16.173 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.422 -6.194 -18.427 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.252 -4.652 -18.481 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.505 -7.163 -21.110 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.878 -6.738 -20.569 1.00 0.00 H new ATOM 822 N PRO A 58 8.644 -7.865 -16.014 1.00 0.00 N ATOM 823 CA PRO A 58 7.451 -7.028 -15.864 1.00 0.00 C ATOM 824 C PRO A 58 7.590 -6.016 -14.732 1.00 0.00 C ATOM 825 O PRO A 58 8.356 -6.208 -13.787 1.00 0.00 O ATOM 826 CB PRO A 58 6.346 -8.038 -15.545 1.00 0.00 C ATOM 827 CG PRO A 58 7.057 -9.197 -14.936 1.00 0.00 C ATOM 828 CD PRO A 58 8.400 -9.260 -15.610 1.00 0.00 C ATOM 0 HA PRO A 58 7.258 -6.432 -16.756 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.612 -7.618 -14.857 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.807 -8.333 -16.445 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.166 -9.066 -13.859 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.500 -10.121 -15.089 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.173 -9.623 -14.933 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.388 -9.931 -16.469 1.00 0.00 H new ATOM 836 N PRO A 59 6.834 -4.913 -14.826 1.00 0.00 N ATOM 837 CA PRO A 59 6.856 -3.850 -13.817 1.00 0.00 C ATOM 838 C PRO A 59 6.225 -4.288 -12.500 1.00 0.00 C ATOM 839 O PRO A 59 5.718 -5.404 -12.383 1.00 0.00 O ATOM 840 CB PRO A 59 6.029 -2.733 -14.460 1.00 0.00 C ATOM 841 CG PRO A 59 5.125 -3.433 -15.415 1.00 0.00 C ATOM 842 CD PRO A 59 5.899 -4.618 -15.925 1.00 0.00 C ATOM 0 HA PRO A 59 7.873 -3.553 -13.560 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.462 -2.179 -13.712 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.667 -2.014 -14.973 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.206 -3.750 -14.922 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.836 -2.774 -16.234 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.245 -5.465 -16.135 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.427 -4.386 -16.850 1.00 0.00 H new ATOM 850 N LEU A 60 6.259 -3.403 -11.509 1.00 0.00 N ATOM 851 CA LEU A 60 5.690 -3.698 -10.199 1.00 0.00 C ATOM 852 C LEU A 60 4.372 -4.454 -10.336 1.00 0.00 C ATOM 853 O LEU A 60 3.646 -4.312 -11.319 1.00 0.00 O ATOM 854 CB LEU A 60 5.470 -2.404 -9.413 1.00 0.00 C ATOM 855 CG LEU A 60 4.385 -1.470 -9.949 1.00 0.00 C ATOM 856 CD1 LEU A 60 3.030 -1.832 -9.360 1.00 0.00 C ATOM 857 CD2 LEU A 60 4.731 -0.020 -9.644 1.00 0.00 C ATOM 0 H LEU A 60 6.675 -2.475 -11.588 1.00 0.00 H new ATOM 0 HA LEU A 60 6.395 -4.329 -9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.221 -2.665 -8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.412 -1.856 -9.384 1.00 0.00 H new ATOM 0 HG LEU A 60 4.331 -1.590 -11.031 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.270 -1.156 -9.753 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.778 -2.858 -9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.069 -1.742 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.948 0.631 -10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.813 0.115 -8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.681 0.234 -10.115 1.00 0.00 H new ATOM 869 N PRO A 61 4.054 -5.276 -9.325 1.00 0.00 N ATOM 870 CA PRO A 61 2.821 -6.069 -9.307 1.00 0.00 C ATOM 871 C PRO A 61 1.579 -5.204 -9.125 1.00 0.00 C ATOM 872 O PRO A 61 1.290 -4.742 -8.021 1.00 0.00 O ATOM 873 CB PRO A 61 3.011 -6.994 -8.102 1.00 0.00 C ATOM 874 CG PRO A 61 3.957 -6.265 -7.211 1.00 0.00 C ATOM 875 CD PRO A 61 4.873 -5.495 -8.121 1.00 0.00 C ATOM 0 HA PRO A 61 2.663 -6.599 -10.246 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.064 -7.189 -7.599 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.416 -7.960 -8.404 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.422 -5.595 -6.538 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.520 -6.960 -6.588 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.187 -4.553 -7.672 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.779 -6.057 -8.348 1.00 0.00 H new ATOM 883 N GLU A 62 0.847 -4.989 -10.214 1.00 0.00 N ATOM 884 CA GLU A 62 -0.364 -4.179 -10.172 1.00 0.00 C ATOM 885 C GLU A 62 -1.095 -4.361 -8.845 1.00 0.00 C ATOM 886 O GLU A 62 -1.500 -3.389 -8.208 1.00 0.00 O ATOM 887 CB GLU A 62 -1.292 -4.548 -11.332 1.00 0.00 C ATOM 888 CG GLU A 62 -0.866 -3.954 -12.664 1.00 0.00 C ATOM 889 CD GLU A 62 -1.601 -4.569 -13.839 1.00 0.00 C ATOM 890 OE1 GLU A 62 -2.782 -4.218 -14.048 1.00 0.00 O ATOM 891 OE2 GLU A 62 -0.997 -5.400 -14.548 1.00 0.00 O ATOM 0 H GLU A 62 1.072 -5.364 -11.135 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.073 -3.133 -10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.331 -5.633 -11.424 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.302 -4.211 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.044 -2.879 -12.652 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.206 -4.098 -12.795 1.00 0.00 H new ATOM 898 N SER A 63 -1.261 -5.615 -8.434 1.00 0.00 N ATOM 899 CA SER A 63 -1.947 -5.926 -7.186 1.00 0.00 C ATOM 900 C SER A 63 -0.970 -6.480 -6.153 1.00 0.00 C ATOM 901 O SER A 63 -0.527 -7.624 -6.251 1.00 0.00 O ATOM 902 CB SER A 63 -3.070 -6.934 -7.434 1.00 0.00 C ATOM 903 OG SER A 63 -2.550 -8.190 -7.835 1.00 0.00 O ATOM 0 H SER A 63 -0.929 -6.431 -8.948 1.00 0.00 H new ATOM 0 HA SER A 63 -2.377 -5.003 -6.796 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.661 -7.055 -6.526 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.742 -6.553 -8.203 1.00 0.00 H new ATOM 0 HG SER A 63 -1.705 -8.359 -7.367 1.00 0.00 H new ATOM 909 N PHE A 64 -0.638 -5.659 -5.162 1.00 0.00 N ATOM 910 CA PHE A 64 0.288 -6.064 -4.111 1.00 0.00 C ATOM 911 C PHE A 64 -0.398 -6.049 -2.747 1.00 0.00 C ATOM 912 O PHE A 64 -1.046 -5.070 -2.377 1.00 0.00 O ATOM 913 CB PHE A 64 1.507 -5.141 -4.091 1.00 0.00 C ATOM 914 CG PHE A 64 2.309 -5.233 -2.824 1.00 0.00 C ATOM 915 CD1 PHE A 64 1.994 -4.443 -1.730 1.00 0.00 C ATOM 916 CD2 PHE A 64 3.377 -6.110 -2.727 1.00 0.00 C ATOM 917 CE1 PHE A 64 2.730 -4.526 -0.564 1.00 0.00 C ATOM 918 CE2 PHE A 64 4.117 -6.198 -1.563 1.00 0.00 C ATOM 919 CZ PHE A 64 3.792 -5.405 -0.479 1.00 0.00 C ATOM 0 H PHE A 64 -0.997 -4.709 -5.065 1.00 0.00 H new ATOM 0 HA PHE A 64 0.616 -7.082 -4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.150 -5.384 -4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.175 -4.112 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.164 -3.755 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.634 -6.732 -3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.475 -3.904 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.948 -6.885 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.367 -5.472 0.433 1.00 0.00 H new ATOM 929 N TYR A 65 -0.250 -7.141 -2.006 1.00 0.00 N ATOM 930 CA TYR A 65 -0.857 -7.256 -0.685 1.00 0.00 C ATOM 931 C TYR A 65 0.209 -7.246 0.407 1.00 0.00 C ATOM 932 O TYR A 65 1.072 -8.123 0.457 1.00 0.00 O ATOM 933 CB TYR A 65 -1.687 -8.538 -0.591 1.00 0.00 C ATOM 934 CG TYR A 65 -3.093 -8.388 -1.125 1.00 0.00 C ATOM 935 CD1 TYR A 65 -3.964 -7.447 -0.590 1.00 0.00 C ATOM 936 CD2 TYR A 65 -3.552 -9.189 -2.163 1.00 0.00 C ATOM 937 CE1 TYR A 65 -5.250 -7.307 -1.074 1.00 0.00 C ATOM 938 CE2 TYR A 65 -4.836 -9.056 -2.655 1.00 0.00 C ATOM 939 CZ TYR A 65 -5.682 -8.114 -2.107 1.00 0.00 C ATOM 940 OH TYR A 65 -6.962 -7.979 -2.592 1.00 0.00 O ATOM 0 H TYR A 65 0.285 -7.959 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.511 -6.396 -0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.180 -9.330 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.735 -8.855 0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.630 -6.814 0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.893 -9.929 -2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.914 -6.570 -0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.176 -9.686 -3.464 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.106 -8.621 -3.318 1.00 0.00 H new ATOM 950 N CYS A 66 0.142 -6.247 1.280 1.00 0.00 N ATOM 951 CA CYS A 66 1.100 -6.120 2.372 1.00 0.00 C ATOM 952 C CYS A 66 1.153 -7.401 3.200 1.00 0.00 C ATOM 953 O CYS A 66 0.474 -8.379 2.892 1.00 0.00 O ATOM 954 CB CYS A 66 0.729 -4.936 3.268 1.00 0.00 C ATOM 955 SG CYS A 66 -0.870 -5.120 4.120 1.00 0.00 S ATOM 0 H CYS A 66 -0.566 -5.513 1.253 1.00 0.00 H new ATOM 0 HA CYS A 66 2.085 -5.946 1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.512 -4.799 4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.704 -4.030 2.663 1.00 0.00 H new ATOM 960 N GLU A 67 1.967 -7.385 4.252 1.00 0.00 N ATOM 961 CA GLU A 67 2.109 -8.546 5.123 1.00 0.00 C ATOM 962 C GLU A 67 0.862 -8.739 5.981 1.00 0.00 C ATOM 963 O GLU A 67 0.679 -9.787 6.601 1.00 0.00 O ATOM 964 CB GLU A 67 3.340 -8.390 6.019 1.00 0.00 C ATOM 965 CG GLU A 67 3.188 -7.312 7.080 1.00 0.00 C ATOM 966 CD GLU A 67 4.066 -7.558 8.291 1.00 0.00 C ATOM 967 OE1 GLU A 67 4.437 -8.726 8.529 1.00 0.00 O ATOM 968 OE2 GLU A 67 4.382 -6.580 9.001 1.00 0.00 O ATOM 0 H GLU A 67 2.537 -6.583 4.521 1.00 0.00 H new ATOM 0 HA GLU A 67 2.235 -9.427 4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.546 -9.342 6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.204 -8.157 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.436 -6.343 6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.146 -7.262 7.395 1.00 0.00 H new ATOM 975 N ILE A 68 0.009 -7.720 6.012 1.00 0.00 N ATOM 976 CA ILE A 68 -1.220 -7.777 6.793 1.00 0.00 C ATOM 977 C ILE A 68 -2.362 -8.373 5.977 1.00 0.00 C ATOM 978 O ILE A 68 -3.204 -9.101 6.505 1.00 0.00 O ATOM 979 CB ILE A 68 -1.635 -6.381 7.292 1.00 0.00 C ATOM 980 CG1 ILE A 68 -0.478 -5.720 8.046 1.00 0.00 C ATOM 981 CG2 ILE A 68 -2.865 -6.481 8.182 1.00 0.00 C ATOM 982 CD1 ILE A 68 -0.479 -4.211 7.950 1.00 0.00 C ATOM 0 H ILE A 68 0.147 -6.846 5.505 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.018 -8.416 7.653 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.883 -5.762 6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.527 -6.009 9.096 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.465 -6.100 7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.146 -5.486 8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.689 -6.915 7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.642 -7.113 9.041 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.368 -3.810 8.507 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.399 -3.913 6.905 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.406 -3.820 8.369 1.00 0.00 H new ATOM 994 N CYS A 69 -2.385 -8.062 4.685 1.00 0.00 N ATOM 995 CA CYS A 69 -3.423 -8.567 3.795 1.00 0.00 C ATOM 996 C CYS A 69 -3.130 -10.006 3.379 1.00 0.00 C ATOM 997 O CYS A 69 -4.040 -10.827 3.268 1.00 0.00 O ATOM 998 CB CYS A 69 -3.535 -7.679 2.554 1.00 0.00 C ATOM 999 SG CYS A 69 -4.421 -6.113 2.838 1.00 0.00 S ATOM 0 H CYS A 69 -1.696 -7.462 4.231 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.370 -8.549 4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.533 -7.456 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.045 -8.235 1.767 1.00 0.00 H new ATOM 1004 N ARG A 70 -1.855 -10.302 3.152 1.00 0.00 N ATOM 1005 CA ARG A 70 -1.442 -11.641 2.748 1.00 0.00 C ATOM 1006 C ARG A 70 -1.824 -12.670 3.808 1.00 0.00 C ATOM 1007 O ARG A 70 -2.247 -13.781 3.485 1.00 0.00 O ATOM 1008 CB ARG A 70 0.067 -11.680 2.504 1.00 0.00 C ATOM 1009 CG ARG A 70 0.892 -11.659 3.781 1.00 0.00 C ATOM 1010 CD ARG A 70 2.376 -11.813 3.488 1.00 0.00 C ATOM 1011 NE ARG A 70 2.739 -13.201 3.218 1.00 0.00 N ATOM 1012 CZ ARG A 70 2.918 -14.112 4.168 1.00 0.00 C ATOM 1013 NH1 ARG A 70 2.768 -13.783 5.444 1.00 0.00 N ATOM 1014 NH2 ARG A 70 3.248 -15.356 3.843 1.00 0.00 N ATOM 0 H ARG A 70 -1.090 -9.633 3.241 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.959 -11.890 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.312 -12.579 1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.349 -10.828 1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.720 -10.722 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.565 -12.463 4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.642 -11.195 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.953 -11.446 4.337 1.00 0.00 H new ATOM 0 HE ARG A 70 2.862 -13.487 2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.514 -12.828 5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.906 -14.485 6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.364 -15.613 2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.385 -16.055 4.573 1.00 0.00 H new ATOM 1028 N LEU A 71 -1.671 -12.294 5.072 1.00 0.00 N ATOM 1029 CA LEU A 71 -1.999 -13.184 6.180 1.00 0.00 C ATOM 1030 C LEU A 71 -3.486 -13.527 6.181 1.00 0.00 C ATOM 1031 O LEU A 71 -3.887 -14.595 6.645 1.00 0.00 O ATOM 1032 CB LEU A 71 -1.613 -12.537 7.512 1.00 0.00 C ATOM 1033 CG LEU A 71 -2.689 -11.680 8.179 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -3.546 -12.527 9.108 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -2.055 -10.525 8.940 1.00 0.00 C ATOM 0 H LEU A 71 -1.322 -11.379 5.356 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.432 -14.106 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.324 -13.326 8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.732 -11.917 7.350 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.332 -11.267 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.306 -11.900 9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.029 -13.319 8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.917 -12.969 9.881 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.836 -9.926 9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.389 -10.918 9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.485 -9.903 8.249 1.00 0.00 H new ATOM 1047 N THR A 72 -4.299 -12.616 5.657 1.00 0.00 N ATOM 1048 CA THR A 72 -5.740 -12.822 5.596 1.00 0.00 C ATOM 1049 C THR A 72 -6.280 -12.523 4.202 1.00 0.00 C ATOM 1050 O THR A 72 -6.665 -11.392 3.904 1.00 0.00 O ATOM 1051 CB THR A 72 -6.478 -11.939 6.620 1.00 0.00 C ATOM 1052 OG1 THR A 72 -7.867 -11.856 6.284 1.00 0.00 O ATOM 1053 CG2 THR A 72 -5.877 -10.543 6.663 1.00 0.00 C ATOM 0 H THR A 72 -3.983 -11.727 5.268 1.00 0.00 H new ATOM 0 HA THR A 72 -5.919 -13.870 5.835 1.00 0.00 H new ATOM 0 HB THR A 72 -6.370 -12.394 7.604 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.329 -11.294 6.941 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.414 -9.938 7.393 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.827 -10.608 6.948 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.958 -10.081 5.679 1.00 0.00 H new ATOM 1061 N SER A 73 -6.306 -13.544 3.351 1.00 0.00 N ATOM 1062 CA SER A 73 -6.797 -13.389 1.986 1.00 0.00 C ATOM 1063 C SER A 73 -8.196 -13.978 1.842 1.00 0.00 C ATOM 1064 O SER A 73 -8.389 -15.187 1.961 1.00 0.00 O ATOM 1065 CB SER A 73 -5.843 -14.064 0.999 1.00 0.00 C ATOM 1066 OG SER A 73 -5.737 -15.453 1.260 1.00 0.00 O ATOM 0 H SER A 73 -5.993 -14.487 3.582 1.00 0.00 H new ATOM 0 HA SER A 73 -6.846 -12.323 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.199 -13.908 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.858 -13.602 1.067 1.00 0.00 H new ATOM 0 HG SER A 73 -6.568 -15.773 1.669 1.00 0.00 H new ATOM 1072 N GLY A 74 -9.173 -13.113 1.584 1.00 0.00 N ATOM 1073 CA GLY A 74 -10.543 -13.565 1.427 1.00 0.00 C ATOM 1074 C GLY A 74 -10.759 -14.321 0.131 1.00 0.00 C ATOM 1075 O GLY A 74 -9.843 -14.936 -0.414 1.00 0.00 O ATOM 0 H GLY A 74 -9.040 -12.107 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.809 -14.207 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.212 -12.705 1.458 1.00 0.00 H new ATOM 1079 N PRO A 75 -11.998 -14.281 -0.381 1.00 0.00 N ATOM 1080 CA PRO A 75 -12.361 -14.964 -1.627 1.00 0.00 C ATOM 1081 C PRO A 75 -11.728 -14.311 -2.851 1.00 0.00 C ATOM 1082 O PRO A 75 -12.019 -14.687 -3.987 1.00 0.00 O ATOM 1083 CB PRO A 75 -13.885 -14.825 -1.675 1.00 0.00 C ATOM 1084 CG PRO A 75 -14.181 -13.609 -0.868 1.00 0.00 C ATOM 1085 CD PRO A 75 -13.139 -13.567 0.215 1.00 0.00 C ATOM 0 HA PRO A 75 -12.012 -15.997 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -14.240 -14.716 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -14.376 -15.705 -1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -14.139 -12.711 -1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -15.184 -13.657 -0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -12.877 -12.543 0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.486 -14.054 1.126 1.00 0.00 H new ATOM 1093 N SER A 76 -10.861 -13.333 -2.613 1.00 0.00 N ATOM 1094 CA SER A 76 -10.189 -12.626 -3.697 1.00 0.00 C ATOM 1095 C SER A 76 -9.972 -13.547 -4.894 1.00 0.00 C ATOM 1096 O SER A 76 -9.415 -14.637 -4.760 1.00 0.00 O ATOM 1097 CB SER A 76 -8.846 -12.071 -3.217 1.00 0.00 C ATOM 1098 OG SER A 76 -7.887 -13.105 -3.078 1.00 0.00 O ATOM 0 H SER A 76 -10.607 -13.012 -1.679 1.00 0.00 H new ATOM 0 HA SER A 76 -10.826 -11.798 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.483 -11.327 -3.925 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.979 -11.564 -2.262 1.00 0.00 H new ATOM 0 HG SER A 76 -8.230 -13.926 -3.488 1.00 0.00 H new ATOM 1104 N SER A 77 -10.417 -13.101 -6.064 1.00 0.00 N ATOM 1105 CA SER A 77 -10.277 -13.886 -7.285 1.00 0.00 C ATOM 1106 C SER A 77 -8.839 -13.843 -7.796 1.00 0.00 C ATOM 1107 O SER A 77 -8.190 -14.877 -7.943 1.00 0.00 O ATOM 1108 CB SER A 77 -11.229 -13.366 -8.363 1.00 0.00 C ATOM 1109 OG SER A 77 -11.633 -14.409 -9.233 1.00 0.00 O ATOM 0 H SER A 77 -10.878 -12.200 -6.192 1.00 0.00 H new ATOM 0 HA SER A 77 -10.532 -14.920 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.106 -12.920 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.739 -12.579 -8.936 1.00 0.00 H new ATOM 0 HG SER A 77 -12.242 -14.051 -9.912 1.00 0.00 H new ATOM 1115 N GLY A 78 -8.350 -12.636 -8.065 1.00 0.00 N ATOM 1116 CA GLY A 78 -6.993 -12.479 -8.556 1.00 0.00 C ATOM 1117 C GLY A 78 -6.702 -13.368 -9.748 1.00 0.00 C ATOM 1118 O GLY A 78 -7.630 -13.720 -10.475 1.00 0.00 O ATOM 0 H GLY A 78 -8.869 -11.765 -7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.829 -11.438 -8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.291 -12.709 -7.755 1.00 0.00 H new TER 1122 GLY A 78 HETATM 1123 ZN ZN A 201 10.315 -0.035 4.602 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -2.731 -4.477 2.882 1.00 0.00 ZN