USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 641 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 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.52) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0824 F(o=-0.77,f=-0.082) USER MOD Single : A 18 HIS : no HE2:sc= -2.65 K(o=-2.6,f=-4.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 25:sc= 0.236 USER MOD Single : A 27 MET CE :methyl 167:sc= 0 (180deg=-0.251) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -1.26 K(o=-1.3,f=-5.1!) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.83 X(o=-1.8,f=-2.1) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.0593 F(o=-0.63,f=-0.059) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -5.31! C(o=-5.3!,f=-7.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -126:sc= -1.54 (180deg=-11.4!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0513) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -43:sc= 0.357 USER MOD Single : A 88 SER OG : rot 180:sc= -0.248 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.344 10.850 25.657 1.00 0.00 N ATOM 2 CA GLY A 1 -1.939 9.494 25.977 1.00 0.00 C ATOM 3 C GLY A 1 -0.498 9.215 25.599 1.00 0.00 C ATOM 4 O GLY A 1 -0.213 8.791 24.480 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.336 10.991 25.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.742 11.523 26.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.245 11.010 24.634 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.071 9.321 27.045 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.590 8.791 25.457 1.00 0.00 H new ATOM 8 N SER A 2 0.415 9.456 26.536 1.00 0.00 N ATOM 9 CA SER A 2 1.836 9.233 26.294 1.00 0.00 C ATOM 10 C SER A 2 2.449 8.384 27.403 1.00 0.00 C ATOM 11 O SER A 2 2.276 8.672 28.587 1.00 0.00 O ATOM 12 CB SER A 2 2.573 10.570 26.191 1.00 0.00 C ATOM 13 OG SER A 2 2.271 11.227 24.973 1.00 0.00 O ATOM 0 H SER A 2 0.196 9.805 27.469 1.00 0.00 H new ATOM 0 HA SER A 2 1.940 8.696 25.351 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.295 11.208 27.030 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.648 10.402 26.261 1.00 0.00 H new ATOM 0 HG SER A 2 2.753 12.079 24.933 1.00 0.00 H new ATOM 19 N SER A 3 3.167 7.337 27.010 1.00 0.00 N ATOM 20 CA SER A 3 3.804 6.443 27.970 1.00 0.00 C ATOM 21 C SER A 3 5.027 5.769 27.356 1.00 0.00 C ATOM 22 O SER A 3 5.034 5.430 26.173 1.00 0.00 O ATOM 23 CB SER A 3 2.810 5.384 28.450 1.00 0.00 C ATOM 24 OG SER A 3 3.268 4.754 29.634 1.00 0.00 O ATOM 0 H SER A 3 3.322 7.087 26.033 1.00 0.00 H new ATOM 0 HA SER A 3 4.129 7.038 28.823 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.840 5.847 28.633 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.665 4.637 27.670 1.00 0.00 H new ATOM 0 HG SER A 3 2.614 4.083 29.921 1.00 0.00 H new ATOM 30 N GLY A 4 6.060 5.576 28.170 1.00 0.00 N ATOM 31 CA GLY A 4 7.275 4.943 27.690 1.00 0.00 C ATOM 32 C GLY A 4 6.994 3.739 26.814 1.00 0.00 C ATOM 33 O GLY A 4 5.995 3.044 27.004 1.00 0.00 O ATOM 0 H GLY A 4 6.077 5.847 29.153 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.861 5.669 27.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.882 4.635 28.542 1.00 0.00 H new ATOM 37 N SER A 5 7.875 3.491 25.851 1.00 0.00 N ATOM 38 CA SER A 5 7.714 2.365 24.938 1.00 0.00 C ATOM 39 C SER A 5 8.902 1.413 25.034 1.00 0.00 C ATOM 40 O SER A 5 9.920 1.733 25.649 1.00 0.00 O ATOM 41 CB SER A 5 7.562 2.865 23.500 1.00 0.00 C ATOM 42 OG SER A 5 8.759 3.468 23.040 1.00 0.00 O ATOM 0 H SER A 5 8.708 4.055 25.682 1.00 0.00 H new ATOM 0 HA SER A 5 6.813 1.823 25.224 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.297 2.032 22.848 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.745 3.584 23.446 1.00 0.00 H new ATOM 0 HG SER A 5 8.636 3.777 22.118 1.00 0.00 H new ATOM 48 N SER A 6 8.764 0.241 24.423 1.00 0.00 N ATOM 49 CA SER A 6 9.824 -0.761 24.442 1.00 0.00 C ATOM 50 C SER A 6 10.412 -0.957 23.048 1.00 0.00 C ATOM 51 O SER A 6 9.865 -1.694 22.230 1.00 0.00 O ATOM 52 CB SER A 6 9.287 -2.092 24.973 1.00 0.00 C ATOM 53 OG SER A 6 10.289 -3.093 24.945 1.00 0.00 O ATOM 0 H SER A 6 7.929 -0.038 23.909 1.00 0.00 H new ATOM 0 HA SER A 6 10.614 -0.406 25.104 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.927 -1.961 25.994 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.434 -2.409 24.373 1.00 0.00 H new ATOM 0 HG SER A 6 9.922 -3.933 25.291 1.00 0.00 H new ATOM 59 N GLY A 7 11.532 -0.290 22.786 1.00 0.00 N ATOM 60 CA GLY A 7 12.176 -0.403 21.491 1.00 0.00 C ATOM 61 C GLY A 7 11.180 -0.531 20.356 1.00 0.00 C ATOM 62 O GLY A 7 10.848 -1.639 19.934 1.00 0.00 O ATOM 0 H GLY A 7 12.004 0.326 23.447 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.803 0.473 21.323 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.835 -1.271 21.491 1.00 0.00 H new ATOM 66 N ASP A 8 10.699 0.604 19.862 1.00 0.00 N ATOM 67 CA ASP A 8 9.733 0.614 18.769 1.00 0.00 C ATOM 68 C ASP A 8 10.101 1.667 17.728 1.00 0.00 C ATOM 69 O ASP A 8 10.294 2.837 18.057 1.00 0.00 O ATOM 70 CB ASP A 8 8.326 0.880 19.307 1.00 0.00 C ATOM 71 CG ASP A 8 7.602 -0.396 19.690 1.00 0.00 C ATOM 72 OD1 ASP A 8 7.909 -1.453 19.099 1.00 0.00 O ATOM 73 OD2 ASP A 8 6.728 -0.337 20.580 1.00 0.00 O ATOM 0 H ASP A 8 10.962 1.529 20.201 1.00 0.00 H new ATOM 0 HA ASP A 8 9.752 -0.365 18.291 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.390 1.533 20.177 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.746 1.411 18.552 1.00 0.00 H new ATOM 78 N GLN A 9 10.196 1.242 16.473 1.00 0.00 N ATOM 79 CA GLN A 9 10.542 2.148 15.384 1.00 0.00 C ATOM 80 C GLN A 9 9.590 1.973 14.206 1.00 0.00 C ATOM 81 O GLN A 9 9.365 0.857 13.738 1.00 0.00 O ATOM 82 CB GLN A 9 11.983 1.908 14.931 1.00 0.00 C ATOM 83 CG GLN A 9 13.023 2.361 15.943 1.00 0.00 C ATOM 84 CD GLN A 9 13.013 3.862 16.157 1.00 0.00 C ATOM 85 OE1 GLN A 9 12.126 4.399 16.822 1.00 0.00 O ATOM 86 NE2 GLN A 9 14.001 4.547 15.595 1.00 0.00 N ATOM 0 H GLN A 9 10.038 0.276 16.185 1.00 0.00 H new ATOM 0 HA GLN A 9 10.450 3.170 15.752 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.120 0.845 14.733 1.00 0.00 H new ATOM 0 HB3 GLN A 9 12.151 2.432 13.990 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.841 1.861 16.894 1.00 0.00 H new ATOM 0 HG3 GLN A 9 14.012 2.052 15.605 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.715 4.061 15.052 1.00 0.00 H new ATOM 0 HE22 GLN A 9 14.047 5.560 15.706 1.00 0.00 H new ATOM 95 N ASP A 10 9.034 3.082 13.732 1.00 0.00 N ATOM 96 CA ASP A 10 8.106 3.052 12.607 1.00 0.00 C ATOM 97 C ASP A 10 8.632 3.889 11.445 1.00 0.00 C ATOM 98 O ASP A 10 9.644 4.579 11.571 1.00 0.00 O ATOM 99 CB ASP A 10 6.731 3.564 13.039 1.00 0.00 C ATOM 100 CG ASP A 10 6.755 5.028 13.430 1.00 0.00 C ATOM 101 OD1 ASP A 10 7.848 5.539 13.752 1.00 0.00 O ATOM 102 OD2 ASP A 10 5.680 5.664 13.412 1.00 0.00 O ATOM 0 H ASP A 10 9.209 4.013 14.109 1.00 0.00 H new ATOM 0 HA ASP A 10 8.012 2.019 12.273 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.021 3.420 12.225 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.374 2.972 13.882 1.00 0.00 H new ATOM 107 N THR A 11 7.939 3.822 10.312 1.00 0.00 N ATOM 108 CA THR A 11 8.338 4.571 9.128 1.00 0.00 C ATOM 109 C THR A 11 7.124 5.146 8.407 1.00 0.00 C ATOM 110 O THR A 11 5.993 5.024 8.880 1.00 0.00 O ATOM 111 CB THR A 11 9.132 3.689 8.146 1.00 0.00 C ATOM 112 OG1 THR A 11 9.757 4.505 7.149 1.00 0.00 O ATOM 113 CG2 THR A 11 8.224 2.668 7.478 1.00 0.00 C ATOM 0 H THR A 11 7.099 3.256 10.190 1.00 0.00 H new ATOM 0 HA THR A 11 8.975 5.386 9.470 1.00 0.00 H new ATOM 0 HB THR A 11 9.897 3.156 8.710 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.261 3.937 6.530 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.808 2.057 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.774 2.029 8.238 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.438 3.185 6.927 1.00 0.00 H new ATOM 121 N LEU A 12 7.364 5.773 7.261 1.00 0.00 N ATOM 122 CA LEU A 12 6.289 6.367 6.473 1.00 0.00 C ATOM 123 C LEU A 12 5.205 5.338 6.168 1.00 0.00 C ATOM 124 O LEU A 12 4.014 5.648 6.199 1.00 0.00 O ATOM 125 CB LEU A 12 6.844 6.942 5.169 1.00 0.00 C ATOM 126 CG LEU A 12 7.420 8.356 5.251 1.00 0.00 C ATOM 127 CD1 LEU A 12 6.351 9.343 5.696 1.00 0.00 C ATOM 128 CD2 LEU A 12 8.610 8.393 6.198 1.00 0.00 C ATOM 0 H LEU A 12 8.294 5.883 6.856 1.00 0.00 H new ATOM 0 HA LEU A 12 5.845 7.172 7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.624 6.274 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.047 6.938 4.425 1.00 0.00 H new ATOM 0 HG LEU A 12 7.763 8.646 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.779 10.344 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.529 9.337 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.977 9.056 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.007 9.407 6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.293 8.082 7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.384 7.716 5.836 1.00 0.00 H new ATOM 140 N VAL A 13 5.626 4.112 5.876 1.00 0.00 N ATOM 141 CA VAL A 13 4.691 3.036 5.569 1.00 0.00 C ATOM 142 C VAL A 13 3.402 3.182 6.370 1.00 0.00 C ATOM 143 O VAL A 13 3.406 3.071 7.595 1.00 0.00 O ATOM 144 CB VAL A 13 5.309 1.655 5.859 1.00 0.00 C ATOM 145 CG1 VAL A 13 4.259 0.562 5.729 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.483 1.391 4.929 1.00 0.00 C ATOM 0 H VAL A 13 6.608 3.839 5.845 1.00 0.00 H new ATOM 0 HA VAL A 13 4.464 3.108 4.505 1.00 0.00 H new ATOM 0 HB VAL A 13 5.679 1.650 6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.714 -0.406 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.453 0.745 6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.856 0.563 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.907 0.411 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.140 1.415 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.244 2.157 5.077 1.00 0.00 H new ATOM 156 N GLN A 14 2.301 3.431 5.668 1.00 0.00 N ATOM 157 CA GLN A 14 1.004 3.592 6.315 1.00 0.00 C ATOM 158 C GLN A 14 -0.040 2.681 5.678 1.00 0.00 C ATOM 159 O GLN A 14 0.142 2.200 4.559 1.00 0.00 O ATOM 160 CB GLN A 14 0.546 5.049 6.230 1.00 0.00 C ATOM 161 CG GLN A 14 0.919 5.729 4.923 1.00 0.00 C ATOM 162 CD GLN A 14 0.241 7.074 4.750 1.00 0.00 C ATOM 163 OE1 GLN A 14 -1.071 7.106 4.953 1.00 0.00 O flip ATOM 164 NE2 GLN A 14 0.889 8.073 4.438 1.00 0.00 N flip ATOM 0 H GLN A 14 2.281 3.526 4.653 1.00 0.00 H new ATOM 0 HA GLN A 14 1.112 3.312 7.363 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.536 5.089 6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.983 5.607 7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.000 5.864 4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.648 5.080 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.896 8.003 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.419 8.971 4.326 1.00 0.00 H new ATOM 173 N ARG A 15 -1.133 2.448 6.397 1.00 0.00 N ATOM 174 CA ARG A 15 -2.205 1.593 5.902 1.00 0.00 C ATOM 175 C ARG A 15 -3.542 2.328 5.927 1.00 0.00 C ATOM 176 O ARG A 15 -3.802 3.134 6.820 1.00 0.00 O ATOM 177 CB ARG A 15 -2.296 0.316 6.740 1.00 0.00 C ATOM 178 CG ARG A 15 -1.051 -0.552 6.665 1.00 0.00 C ATOM 179 CD ARG A 15 -0.947 -1.481 7.865 1.00 0.00 C ATOM 180 NE ARG A 15 -0.260 -2.727 7.534 1.00 0.00 N ATOM 181 CZ ARG A 15 0.357 -3.486 8.432 1.00 0.00 C ATOM 182 NH1 ARG A 15 0.374 -3.128 9.709 1.00 0.00 N ATOM 183 NH2 ARG A 15 0.960 -4.606 8.054 1.00 0.00 N ATOM 0 H ARG A 15 -1.299 2.839 7.324 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.976 1.326 4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.478 0.586 7.780 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.155 -0.266 6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.071 -1.141 5.748 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.166 0.082 6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.413 -0.975 8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.946 -1.706 8.237 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.254 -3.030 6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.088 -2.268 10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.849 -3.713 10.396 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.950 -4.885 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.434 -5.188 8.745 1.00 0.00 H new ATOM 197 N ALA A 16 -4.386 2.044 4.940 1.00 0.00 N ATOM 198 CA ALA A 16 -5.696 2.676 4.850 1.00 0.00 C ATOM 199 C ALA A 16 -6.723 1.934 5.698 1.00 0.00 C ATOM 200 O ALA A 16 -6.791 0.706 5.673 1.00 0.00 O ATOM 201 CB ALA A 16 -6.153 2.740 3.400 1.00 0.00 C ATOM 0 H ALA A 16 -4.185 1.380 4.192 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.609 3.691 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.133 3.214 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.437 3.321 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.217 1.731 2.994 1.00 0.00 H new ATOM 207 N GLU A 17 -7.520 2.688 6.450 1.00 0.00 N ATOM 208 CA GLU A 17 -8.542 2.100 7.307 1.00 0.00 C ATOM 209 C GLU A 17 -9.651 1.464 6.473 1.00 0.00 C ATOM 210 O GLU A 17 -10.328 2.142 5.699 1.00 0.00 O ATOM 211 CB GLU A 17 -9.133 3.163 8.236 1.00 0.00 C ATOM 212 CG GLU A 17 -9.860 2.584 9.438 1.00 0.00 C ATOM 213 CD GLU A 17 -9.106 1.434 10.077 1.00 0.00 C ATOM 214 OE1 GLU A 17 -7.904 1.604 10.373 1.00 0.00 O ATOM 215 OE2 GLU A 17 -9.716 0.363 10.280 1.00 0.00 O ATOM 0 H GLU A 17 -7.477 3.707 6.483 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.072 1.322 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.332 3.814 8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.825 3.785 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.013 3.369 10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.847 2.240 9.130 1.00 0.00 H new ATOM 222 N HIS A 18 -9.830 0.157 6.637 1.00 0.00 N ATOM 223 CA HIS A 18 -10.856 -0.572 5.900 1.00 0.00 C ATOM 224 C HIS A 18 -12.245 -0.262 6.451 1.00 0.00 C ATOM 225 O HIS A 18 -12.621 -0.746 7.519 1.00 0.00 O ATOM 226 CB HIS A 18 -10.592 -2.076 5.968 1.00 0.00 C ATOM 227 CG HIS A 18 -9.633 -2.564 4.926 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.717 -3.815 4.353 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.566 -1.960 4.353 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.742 -3.960 3.473 1.00 0.00 C ATOM 231 NE2 HIS A 18 -8.030 -2.848 3.454 1.00 0.00 N ATOM 0 H HIS A 18 -9.278 -0.419 7.273 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.817 -0.251 4.859 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.200 -2.323 6.955 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.537 -2.608 5.858 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -10.422 -4.519 4.574 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.204 -0.965 4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.559 -4.838 2.872 1.00 0.00 H new ATOM 240 N ILE A 19 -13.001 0.547 5.717 1.00 0.00 N ATOM 241 CA ILE A 19 -14.347 0.921 6.133 1.00 0.00 C ATOM 242 C ILE A 19 -15.390 0.002 5.508 1.00 0.00 C ATOM 243 O ILE A 19 -15.364 -0.284 4.310 1.00 0.00 O ATOM 244 CB ILE A 19 -14.669 2.378 5.753 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.583 3.318 6.280 1.00 0.00 C ATOM 246 CG2 ILE A 19 -16.032 2.778 6.297 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.613 3.495 7.782 1.00 0.00 C ATOM 0 H ILE A 19 -12.704 0.956 4.831 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.382 0.821 7.218 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.695 2.457 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.607 2.932 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.696 4.293 5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.245 3.810 6.020 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.797 2.124 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.031 2.686 7.383 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.816 4.174 8.084 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.576 3.910 8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.469 2.529 8.265 1.00 0.00 H new ATOM 259 N PRO A 20 -16.334 -0.471 6.335 1.00 0.00 N ATOM 260 CA PRO A 20 -17.406 -1.364 5.885 1.00 0.00 C ATOM 261 C PRO A 20 -18.413 -0.653 4.987 1.00 0.00 C ATOM 262 O PRO A 20 -18.432 0.575 4.910 1.00 0.00 O ATOM 263 CB PRO A 20 -18.073 -1.804 7.191 1.00 0.00 C ATOM 264 CG PRO A 20 -17.779 -0.706 8.155 1.00 0.00 C ATOM 265 CD PRO A 20 -16.426 -0.172 7.774 1.00 0.00 C ATOM 0 HA PRO A 20 -17.024 -2.190 5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.147 -1.940 7.061 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.671 -2.755 7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.537 0.075 8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.778 -1.077 9.180 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.347 0.898 7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.629 -0.658 8.337 1.00 0.00 H new ATOM 273 N ALA A 21 -19.247 -1.434 4.308 1.00 0.00 N ATOM 274 CA ALA A 21 -20.258 -0.878 3.416 1.00 0.00 C ATOM 275 C ALA A 21 -21.492 -0.433 4.194 1.00 0.00 C ATOM 276 O ALA A 21 -21.832 -1.015 5.223 1.00 0.00 O ATOM 277 CB ALA A 21 -20.641 -1.897 2.353 1.00 0.00 C ATOM 0 H ALA A 21 -19.243 -2.453 4.358 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.833 -0.001 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.396 -1.469 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.759 -2.163 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.042 -2.790 2.833 1.00 0.00 H new ATOM 283 N GLY A 22 -22.159 0.603 3.695 1.00 0.00 N ATOM 284 CA GLY A 22 -23.347 1.109 4.357 1.00 0.00 C ATOM 285 C GLY A 22 -23.019 2.068 5.484 1.00 0.00 C ATOM 286 O GLY A 22 -23.728 2.124 6.489 1.00 0.00 O ATOM 0 H GLY A 22 -21.898 1.101 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.979 1.614 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.923 0.272 4.752 1.00 0.00 H new ATOM 290 N LYS A 23 -21.940 2.826 5.318 1.00 0.00 N ATOM 291 CA LYS A 23 -21.518 3.789 6.329 1.00 0.00 C ATOM 292 C LYS A 23 -21.356 5.179 5.722 1.00 0.00 C ATOM 293 O LYS A 23 -22.067 6.114 6.092 1.00 0.00 O ATOM 294 CB LYS A 23 -20.201 3.343 6.969 1.00 0.00 C ATOM 295 CG LYS A 23 -20.384 2.378 8.127 1.00 0.00 C ATOM 296 CD LYS A 23 -20.717 3.110 9.416 1.00 0.00 C ATOM 297 CE LYS A 23 -22.213 3.348 9.552 1.00 0.00 C ATOM 298 NZ LYS A 23 -22.630 3.459 10.977 1.00 0.00 N ATOM 0 H LYS A 23 -21.342 2.792 4.493 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.291 3.835 7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.579 2.871 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.662 4.222 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -21.181 1.673 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.473 1.795 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.361 2.530 10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.192 4.065 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.485 4.261 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.755 2.530 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -23.656 3.621 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.394 2.579 11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.132 4.255 11.423 1.00 0.00 H new ATOM 312 N ARG A 24 -20.418 5.307 4.790 1.00 0.00 N ATOM 313 CA ARG A 24 -20.164 6.583 4.132 1.00 0.00 C ATOM 314 C ARG A 24 -20.372 6.469 2.625 1.00 0.00 C ATOM 315 O ARG A 24 -21.023 7.315 2.010 1.00 0.00 O ATOM 316 CB ARG A 24 -18.740 7.058 4.426 1.00 0.00 C ATOM 317 CG ARG A 24 -18.593 7.743 5.775 1.00 0.00 C ATOM 318 CD ARG A 24 -17.310 8.557 5.850 1.00 0.00 C ATOM 319 NE ARG A 24 -16.847 8.722 7.224 1.00 0.00 N ATOM 320 CZ ARG A 24 -15.579 8.949 7.550 1.00 0.00 C ATOM 321 NH1 ARG A 24 -14.654 9.037 6.605 1.00 0.00 N ATOM 322 NH2 ARG A 24 -15.235 9.089 8.824 1.00 0.00 N ATOM 0 H ARG A 24 -19.821 4.543 4.473 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.872 7.313 4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -18.065 6.203 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.427 7.747 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.449 8.395 5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.597 6.994 6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.534 8.066 5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.476 9.537 5.403 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.534 8.660 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.915 8.930 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.681 9.211 6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.944 9.022 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.261 9.263 9.073 1.00 0.00 H new ATOM 336 N THR A 25 -19.815 5.417 2.033 1.00 0.00 N ATOM 337 CA THR A 25 -19.938 5.192 0.598 1.00 0.00 C ATOM 338 C THR A 25 -19.561 6.443 -0.188 1.00 0.00 C ATOM 339 O THR A 25 -20.296 6.899 -1.064 1.00 0.00 O ATOM 340 CB THR A 25 -21.369 4.771 0.216 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.305 5.761 0.657 1.00 0.00 O ATOM 342 CG2 THR A 25 -21.719 3.425 0.831 1.00 0.00 C ATOM 0 H THR A 25 -19.274 4.707 2.526 1.00 0.00 H new ATOM 0 HA THR A 25 -19.250 4.385 0.344 1.00 0.00 H new ATOM 0 HB THR A 25 -21.420 4.681 -0.869 1.00 0.00 H new ATOM 0 HG1 THR A 25 -21.854 6.628 0.731 1.00 0.00 H new ATOM 0 HG21 THR A 25 -22.734 3.148 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.023 2.668 0.470 1.00 0.00 H new ATOM 0 HG23 THR A 25 -21.651 3.492 1.917 1.00 0.00 H new ATOM 350 N PRO A 26 -18.388 7.012 0.130 1.00 0.00 N ATOM 351 CA PRO A 26 -17.887 8.217 -0.537 1.00 0.00 C ATOM 352 C PRO A 26 -17.479 7.953 -1.982 1.00 0.00 C ATOM 353 O PRO A 26 -17.381 6.803 -2.409 1.00 0.00 O ATOM 354 CB PRO A 26 -16.666 8.604 0.301 1.00 0.00 C ATOM 355 CG PRO A 26 -16.215 7.328 0.925 1.00 0.00 C ATOM 356 CD PRO A 26 -17.461 6.521 1.164 1.00 0.00 C ATOM 0 HA PRO A 26 -18.647 8.997 -0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.883 9.040 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.924 9.345 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.525 6.796 0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.687 7.516 1.860 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.274 5.452 1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -17.857 6.680 2.167 1.00 0.00 H new ATOM 364 N MET A 27 -17.243 9.026 -2.731 1.00 0.00 N ATOM 365 CA MET A 27 -16.844 8.909 -4.129 1.00 0.00 C ATOM 366 C MET A 27 -15.338 8.700 -4.248 1.00 0.00 C ATOM 367 O MET A 27 -14.549 9.446 -3.667 1.00 0.00 O ATOM 368 CB MET A 27 -17.261 10.158 -4.906 1.00 0.00 C ATOM 369 CG MET A 27 -17.513 9.899 -6.383 1.00 0.00 C ATOM 370 SD MET A 27 -18.756 11.004 -7.080 1.00 0.00 S ATOM 371 CE MET A 27 -20.210 9.960 -7.019 1.00 0.00 C ATOM 0 H MET A 27 -17.321 9.985 -2.393 1.00 0.00 H new ATOM 0 HA MET A 27 -17.348 8.041 -4.554 1.00 0.00 H new ATOM 0 HB2 MET A 27 -18.166 10.569 -4.458 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.483 10.915 -4.806 1.00 0.00 H new ATOM 0 HG2 MET A 27 -16.579 10.016 -6.933 1.00 0.00 H new ATOM 0 HG3 MET A 27 -17.835 8.866 -6.517 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.100 10.565 -7.196 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.137 9.189 -7.786 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.280 9.490 -6.038 1.00 0.00 H new ATOM 381 N CYS A 28 -14.944 7.681 -5.006 1.00 0.00 N ATOM 382 CA CYS A 28 -13.533 7.374 -5.201 1.00 0.00 C ATOM 383 C CYS A 28 -12.749 8.629 -5.575 1.00 0.00 C ATOM 384 O CYS A 28 -13.332 9.666 -5.889 1.00 0.00 O ATOM 385 CB CYS A 28 -13.367 6.312 -6.290 1.00 0.00 C ATOM 386 SG CYS A 28 -11.732 5.508 -6.302 1.00 0.00 S ATOM 0 H CYS A 28 -15.583 7.054 -5.495 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.138 6.987 -4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.134 5.549 -6.158 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.540 6.774 -7.262 1.00 0.00 H new ATOM 391 N ALA A 29 -11.425 8.526 -5.539 1.00 0.00 N ATOM 392 CA ALA A 29 -10.561 9.650 -5.876 1.00 0.00 C ATOM 393 C ALA A 29 -10.007 9.513 -7.290 1.00 0.00 C ATOM 394 O ALA A 29 -9.806 10.507 -7.988 1.00 0.00 O ATOM 395 CB ALA A 29 -9.425 9.763 -4.870 1.00 0.00 C ATOM 0 H ALA A 29 -10.927 7.675 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.159 10.560 -5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.788 10.607 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.836 9.917 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.836 8.846 -4.882 1.00 0.00 H new ATOM 401 N HIS A 30 -9.761 8.275 -7.706 1.00 0.00 N ATOM 402 CA HIS A 30 -9.229 8.007 -9.038 1.00 0.00 C ATOM 403 C HIS A 30 -10.347 7.992 -10.076 1.00 0.00 C ATOM 404 O HIS A 30 -10.395 8.843 -10.964 1.00 0.00 O ATOM 405 CB HIS A 30 -8.484 6.672 -9.054 1.00 0.00 C ATOM 406 CG HIS A 30 -7.760 6.406 -10.338 1.00 0.00 C ATOM 407 ND1 HIS A 30 -6.453 6.788 -10.558 1.00 0.00 N ATOM 408 CD2 HIS A 30 -8.166 5.789 -11.472 1.00 0.00 C ATOM 409 CE1 HIS A 30 -6.088 6.420 -11.773 1.00 0.00 C ATOM 410 NE2 HIS A 30 -7.110 5.811 -12.348 1.00 0.00 N ATOM 0 H HIS A 30 -9.921 7.441 -7.140 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.532 8.806 -9.292 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.768 6.655 -8.232 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.195 5.866 -8.874 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.140 5.359 -11.654 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.119 6.588 -12.220 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.113 5.421 -13.290 1.00 0.00 H new ATOM 419 N CYS A 31 -11.243 7.018 -9.959 1.00 0.00 N ATOM 420 CA CYS A 31 -12.360 6.890 -10.888 1.00 0.00 C ATOM 421 C CYS A 31 -13.443 7.921 -10.581 1.00 0.00 C ATOM 422 O CYS A 31 -14.205 8.315 -11.462 1.00 0.00 O ATOM 423 CB CYS A 31 -12.949 5.479 -10.819 1.00 0.00 C ATOM 424 SG CYS A 31 -13.624 5.035 -9.186 1.00 0.00 S ATOM 0 H CYS A 31 -11.218 6.305 -9.230 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.985 7.071 -11.895 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.740 5.390 -11.564 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.175 4.760 -11.088 1.00 0.00 H new ATOM 429 N ASN A 32 -13.503 8.352 -9.326 1.00 0.00 N ATOM 430 CA ASN A 32 -14.492 9.337 -8.902 1.00 0.00 C ATOM 431 C ASN A 32 -15.904 8.769 -9.007 1.00 0.00 C ATOM 432 O ASN A 32 -16.777 9.363 -9.639 1.00 0.00 O ATOM 433 CB ASN A 32 -14.376 10.604 -9.751 1.00 0.00 C ATOM 434 CG ASN A 32 -12.966 11.162 -9.767 1.00 0.00 C ATOM 435 OD1 ASN A 32 -12.056 10.564 -10.342 1.00 0.00 O ATOM 436 ND2 ASN A 32 -12.778 12.315 -9.134 1.00 0.00 N ATOM 0 H ASN A 32 -12.879 8.035 -8.584 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.296 9.587 -7.859 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.688 10.384 -10.772 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.059 11.361 -9.365 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.851 12.739 -9.111 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.561 12.776 -8.671 1.00 0.00 H new ATOM 443 N GLN A 33 -16.120 7.615 -8.383 1.00 0.00 N ATOM 444 CA GLN A 33 -17.426 6.968 -8.406 1.00 0.00 C ATOM 445 C GLN A 33 -17.802 6.450 -7.021 1.00 0.00 C ATOM 446 O GLN A 33 -16.973 5.875 -6.316 1.00 0.00 O ATOM 447 CB GLN A 33 -17.429 5.815 -9.412 1.00 0.00 C ATOM 448 CG GLN A 33 -17.194 6.259 -10.847 1.00 0.00 C ATOM 449 CD GLN A 33 -18.481 6.603 -11.570 1.00 0.00 C ATOM 450 OE1 GLN A 33 -19.296 7.382 -11.075 1.00 0.00 O ATOM 451 NE2 GLN A 33 -18.671 6.023 -12.749 1.00 0.00 N ATOM 0 H GLN A 33 -15.408 7.110 -7.856 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.165 7.709 -8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.658 5.097 -9.132 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.385 5.295 -9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.536 7.128 -10.851 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.678 5.466 -11.389 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -17.969 5.384 -13.122 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.519 6.217 -13.282 1.00 0.00 H new ATOM 460 N VAL A 34 -19.057 6.660 -6.637 1.00 0.00 N ATOM 461 CA VAL A 34 -19.543 6.214 -5.337 1.00 0.00 C ATOM 462 C VAL A 34 -19.122 4.776 -5.056 1.00 0.00 C ATOM 463 O VAL A 34 -19.210 3.911 -5.929 1.00 0.00 O ATOM 464 CB VAL A 34 -21.078 6.315 -5.247 1.00 0.00 C ATOM 465 CG1 VAL A 34 -21.732 5.507 -6.357 1.00 0.00 C ATOM 466 CG2 VAL A 34 -21.562 5.851 -3.882 1.00 0.00 C ATOM 0 H VAL A 34 -19.755 7.136 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.098 6.872 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.365 7.359 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -22.816 5.590 -6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.409 5.890 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.441 4.461 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -22.648 5.929 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.265 4.814 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.120 6.477 -3.107 1.00 0.00 H new ATOM 476 N ILE A 35 -18.666 4.527 -3.834 1.00 0.00 N ATOM 477 CA ILE A 35 -18.232 3.193 -3.437 1.00 0.00 C ATOM 478 C ILE A 35 -19.285 2.507 -2.573 1.00 0.00 C ATOM 479 O ILE A 35 -19.318 2.689 -1.356 1.00 0.00 O ATOM 480 CB ILE A 35 -16.901 3.240 -2.665 1.00 0.00 C ATOM 481 CG1 ILE A 35 -15.906 4.159 -3.375 1.00 0.00 C ATOM 482 CG2 ILE A 35 -16.325 1.840 -2.517 1.00 0.00 C ATOM 483 CD1 ILE A 35 -14.936 4.841 -2.436 1.00 0.00 C ATOM 0 H ILE A 35 -18.587 5.232 -3.101 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.090 2.622 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.090 3.641 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.344 3.577 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.457 4.919 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.384 1.890 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.030 1.212 -1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.148 1.413 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.261 5.477 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.489 5.451 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.358 4.088 -1.900 1.00 0.00 H new ATOM 495 N ARG A 36 -20.142 1.717 -3.210 1.00 0.00 N ATOM 496 CA ARG A 36 -21.196 1.003 -2.500 1.00 0.00 C ATOM 497 C ARG A 36 -20.616 0.169 -1.361 1.00 0.00 C ATOM 498 O ARG A 36 -20.903 0.414 -0.190 1.00 0.00 O ATOM 499 CB ARG A 36 -21.970 0.101 -3.463 1.00 0.00 C ATOM 500 CG ARG A 36 -23.169 0.781 -4.104 1.00 0.00 C ATOM 501 CD ARG A 36 -24.284 -0.212 -4.392 1.00 0.00 C ATOM 502 NE ARG A 36 -23.893 -1.199 -5.395 1.00 0.00 N ATOM 503 CZ ARG A 36 -24.584 -2.305 -5.646 1.00 0.00 C ATOM 504 NH1 ARG A 36 -25.695 -2.564 -4.971 1.00 0.00 N ATOM 505 NH2 ARG A 36 -24.163 -3.155 -6.574 1.00 0.00 N ATOM 0 H ARG A 36 -20.127 1.555 -4.217 1.00 0.00 H new ATOM 0 HA ARG A 36 -21.878 1.741 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -21.295 -0.242 -4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -22.310 -0.784 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.540 1.565 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.862 1.264 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.562 -0.723 -3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.167 0.325 -4.737 1.00 0.00 H new ATOM 0 HE ARG A 36 -23.043 -1.030 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -26.021 -1.913 -4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -26.224 -3.414 -5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.308 -2.959 -7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.694 -4.004 -6.766 1.00 0.00 H new ATOM 519 N GLY A 37 -19.797 -0.817 -1.714 1.00 0.00 N ATOM 520 CA GLY A 37 -19.190 -1.673 -0.711 1.00 0.00 C ATOM 521 C GLY A 37 -18.203 -0.927 0.165 1.00 0.00 C ATOM 522 O GLY A 37 -18.213 0.301 0.243 1.00 0.00 O ATOM 0 H GLY A 37 -19.543 -1.038 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.971 -2.106 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -18.681 -2.501 -1.204 1.00 0.00 H new ATOM 526 N PRO A 38 -17.326 -1.679 0.847 1.00 0.00 N ATOM 527 CA PRO A 38 -16.313 -1.103 1.736 1.00 0.00 C ATOM 528 C PRO A 38 -15.226 -0.357 0.970 1.00 0.00 C ATOM 529 O PRO A 38 -14.701 -0.856 -0.026 1.00 0.00 O ATOM 530 CB PRO A 38 -15.724 -2.327 2.443 1.00 0.00 C ATOM 531 CG PRO A 38 -15.962 -3.458 1.503 1.00 0.00 C ATOM 532 CD PRO A 38 -17.256 -3.149 0.803 1.00 0.00 C ATOM 0 HA PRO A 38 -16.740 -0.365 2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.661 -2.195 2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.209 -2.501 3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.144 -3.550 0.788 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.025 -4.405 2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.257 -3.521 -0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.106 -3.607 1.309 1.00 0.00 H new ATOM 540 N PHE A 39 -14.892 0.840 1.440 1.00 0.00 N ATOM 541 CA PHE A 39 -13.868 1.655 0.798 1.00 0.00 C ATOM 542 C PHE A 39 -12.627 1.764 1.680 1.00 0.00 C ATOM 543 O PHE A 39 -12.610 1.274 2.810 1.00 0.00 O ATOM 544 CB PHE A 39 -14.414 3.052 0.493 1.00 0.00 C ATOM 545 CG PHE A 39 -14.711 3.861 1.722 1.00 0.00 C ATOM 546 CD1 PHE A 39 -15.954 3.791 2.330 1.00 0.00 C ATOM 547 CD2 PHE A 39 -13.747 4.692 2.271 1.00 0.00 C ATOM 548 CE1 PHE A 39 -16.231 4.535 3.462 1.00 0.00 C ATOM 549 CE2 PHE A 39 -14.018 5.438 3.402 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.261 5.359 3.999 1.00 0.00 C ATOM 0 H PHE A 39 -15.316 1.267 2.264 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.587 1.170 -0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.691 3.590 -0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.325 2.956 -0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -16.716 3.148 1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.773 4.757 1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -17.204 4.472 3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -13.258 6.083 3.819 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.474 5.940 4.884 1.00 0.00 H new ATOM 560 N LEU A 40 -11.591 2.408 1.155 1.00 0.00 N ATOM 561 CA LEU A 40 -10.344 2.581 1.893 1.00 0.00 C ATOM 562 C LEU A 40 -10.013 4.060 2.063 1.00 0.00 C ATOM 563 O LEU A 40 -9.937 4.806 1.087 1.00 0.00 O ATOM 564 CB LEU A 40 -9.198 1.870 1.172 1.00 0.00 C ATOM 565 CG LEU A 40 -9.546 0.534 0.514 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.406 0.066 -0.378 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.864 -0.514 1.570 1.00 0.00 C ATOM 0 H LEU A 40 -11.589 2.819 0.222 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.472 2.140 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.807 2.539 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.394 1.701 1.888 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.431 0.676 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.671 -0.886 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.225 0.807 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.504 -0.059 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.109 -1.458 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.998 -0.653 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.713 -0.182 2.168 1.00 0.00 H new ATOM 579 N VAL A 41 -9.815 4.478 3.310 1.00 0.00 N ATOM 580 CA VAL A 41 -9.488 5.867 3.608 1.00 0.00 C ATOM 581 C VAL A 41 -8.001 6.031 3.901 1.00 0.00 C ATOM 582 O VAL A 41 -7.491 5.504 4.889 1.00 0.00 O ATOM 583 CB VAL A 41 -10.298 6.388 4.810 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.374 5.331 5.901 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.688 7.675 5.345 1.00 0.00 C ATOM 0 H VAL A 41 -9.876 3.874 4.130 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.747 6.450 2.724 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.313 6.605 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.950 5.717 6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.859 4.437 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.367 5.080 6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.273 8.029 6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.663 7.487 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.691 8.432 4.561 1.00 0.00 H new ATOM 595 N ALA A 42 -7.311 6.766 3.035 1.00 0.00 N ATOM 596 CA ALA A 42 -5.882 7.002 3.202 1.00 0.00 C ATOM 597 C ALA A 42 -5.457 8.299 2.522 1.00 0.00 C ATOM 598 O ALA A 42 -6.044 8.708 1.520 1.00 0.00 O ATOM 599 CB ALA A 42 -5.085 5.829 2.651 1.00 0.00 C ATOM 0 H ALA A 42 -7.718 7.208 2.211 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.677 7.097 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.020 6.019 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.360 4.919 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.304 5.707 1.590 1.00 0.00 H new ATOM 605 N LEU A 43 -4.433 8.942 3.073 1.00 0.00 N ATOM 606 CA LEU A 43 -3.929 10.194 2.519 1.00 0.00 C ATOM 607 C LEU A 43 -5.042 11.232 2.419 1.00 0.00 C ATOM 608 O LEU A 43 -5.132 11.968 1.437 1.00 0.00 O ATOM 609 CB LEU A 43 -3.314 9.953 1.139 1.00 0.00 C ATOM 610 CG LEU A 43 -2.000 9.173 1.117 1.00 0.00 C ATOM 611 CD1 LEU A 43 -0.955 9.861 1.981 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.221 7.741 1.583 1.00 0.00 C ATOM 0 H LEU A 43 -3.936 8.617 3.902 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.160 10.577 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.041 9.418 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.147 10.920 0.664 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.633 9.148 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.027 9.291 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.775 10.867 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.314 9.919 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.274 7.201 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.612 7.746 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.935 7.249 0.922 1.00 0.00 H new ATOM 624 N GLY A 44 -5.887 11.287 3.444 1.00 0.00 N ATOM 625 CA GLY A 44 -6.981 12.240 3.452 1.00 0.00 C ATOM 626 C GLY A 44 -7.884 12.097 2.243 1.00 0.00 C ATOM 627 O GLY A 44 -8.306 13.092 1.652 1.00 0.00 O ATOM 0 H GLY A 44 -5.833 10.689 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.570 12.105 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.577 13.252 3.482 1.00 0.00 H new ATOM 631 N LYS A 45 -8.180 10.857 1.871 1.00 0.00 N ATOM 632 CA LYS A 45 -9.038 10.585 0.723 1.00 0.00 C ATOM 633 C LYS A 45 -9.450 9.117 0.687 1.00 0.00 C ATOM 634 O LYS A 45 -8.784 8.261 1.268 1.00 0.00 O ATOM 635 CB LYS A 45 -8.319 10.956 -0.576 1.00 0.00 C ATOM 636 CG LYS A 45 -8.551 12.393 -1.010 1.00 0.00 C ATOM 637 CD LYS A 45 -8.493 12.535 -2.522 1.00 0.00 C ATOM 638 CE LYS A 45 -8.388 13.993 -2.941 1.00 0.00 C ATOM 639 NZ LYS A 45 -7.721 14.143 -4.264 1.00 0.00 N ATOM 0 H LYS A 45 -7.838 10.023 2.348 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.937 11.194 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.249 10.792 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.652 10.287 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.522 12.731 -0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.800 13.038 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.637 11.982 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.385 12.091 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.385 14.431 -2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.829 14.548 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.669 15.151 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.760 13.748 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.268 13.635 -4.988 1.00 0.00 H new ATOM 653 N SER A 46 -10.552 8.834 0.000 1.00 0.00 N ATOM 654 CA SER A 46 -11.054 7.469 -0.110 1.00 0.00 C ATOM 655 C SER A 46 -10.638 6.842 -1.437 1.00 0.00 C ATOM 656 O SER A 46 -10.369 7.545 -2.411 1.00 0.00 O ATOM 657 CB SER A 46 -12.579 7.452 0.019 1.00 0.00 C ATOM 658 OG SER A 46 -13.196 7.922 -1.167 1.00 0.00 O ATOM 0 H SER A 46 -11.114 9.531 -0.489 1.00 0.00 H new ATOM 0 HA SER A 46 -10.621 6.883 0.700 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.918 6.438 0.232 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.883 8.073 0.862 1.00 0.00 H new ATOM 0 HG SER A 46 -14.170 7.900 -1.060 1.00 0.00 H new ATOM 664 N TRP A 47 -10.586 5.515 -1.466 1.00 0.00 N ATOM 665 CA TRP A 47 -10.202 4.792 -2.673 1.00 0.00 C ATOM 666 C TRP A 47 -10.897 3.437 -2.740 1.00 0.00 C ATOM 667 O TRP A 47 -11.389 2.930 -1.732 1.00 0.00 O ATOM 668 CB TRP A 47 -8.685 4.603 -2.718 1.00 0.00 C ATOM 669 CG TRP A 47 -7.923 5.795 -2.222 1.00 0.00 C ATOM 670 CD1 TRP A 47 -7.870 6.257 -0.938 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.107 6.676 -3.002 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.071 7.373 -0.872 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.590 7.650 -2.125 1.00 0.00 C ATOM 674 CE3 TRP A 47 -6.761 6.736 -4.354 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -5.748 8.670 -2.559 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -5.926 7.749 -4.784 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.426 8.705 -3.889 1.00 0.00 C ATOM 0 H TRP A 47 -10.805 4.918 -0.668 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.514 5.382 -3.535 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.416 3.734 -2.118 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.383 4.388 -3.743 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.381 5.811 -0.098 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.869 7.908 -0.028 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.140 6.003 -5.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.362 9.408 -1.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.654 7.805 -5.828 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.774 9.484 -4.256 1.00 0.00 H new ATOM 688 N HIS A 48 -10.935 2.854 -3.935 1.00 0.00 N ATOM 689 CA HIS A 48 -11.570 1.556 -4.132 1.00 0.00 C ATOM 690 C HIS A 48 -10.632 0.424 -3.723 1.00 0.00 C ATOM 691 O HIS A 48 -9.437 0.439 -4.018 1.00 0.00 O ATOM 692 CB HIS A 48 -11.986 1.386 -5.593 1.00 0.00 C ATOM 693 CG HIS A 48 -13.366 1.890 -5.886 1.00 0.00 C ATOM 694 ND1 HIS A 48 -13.615 2.956 -6.724 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.574 1.468 -5.447 1.00 0.00 C ATOM 696 CE1 HIS A 48 -14.917 3.169 -6.788 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.522 2.278 -6.022 1.00 0.00 N ATOM 0 H HIS A 48 -10.534 3.260 -4.780 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.458 1.514 -3.501 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.274 1.912 -6.228 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.930 0.330 -5.858 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.758 0.647 -4.770 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.404 3.940 -7.367 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.529 2.204 -5.881 1.00 0.00 H new ATOM 705 N PRO A 49 -11.184 -0.580 -3.027 1.00 0.00 N ATOM 706 CA PRO A 49 -10.415 -1.738 -2.562 1.00 0.00 C ATOM 707 C PRO A 49 -9.979 -2.643 -3.709 1.00 0.00 C ATOM 708 O PRO A 49 -9.201 -3.576 -3.514 1.00 0.00 O ATOM 709 CB PRO A 49 -11.397 -2.472 -1.646 1.00 0.00 C ATOM 710 CG PRO A 49 -12.745 -2.074 -2.139 1.00 0.00 C ATOM 711 CD PRO A 49 -12.603 -0.663 -2.640 1.00 0.00 C ATOM 0 HA PRO A 49 -9.490 -1.441 -2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.258 -3.552 -1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.256 -2.185 -0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.081 -2.739 -2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.485 -2.132 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.262 -0.469 -3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.852 0.065 -1.868 1.00 0.00 H new ATOM 719 N GLU A 50 -10.485 -2.359 -4.906 1.00 0.00 N ATOM 720 CA GLU A 50 -10.146 -3.149 -6.084 1.00 0.00 C ATOM 721 C GLU A 50 -9.253 -2.355 -7.033 1.00 0.00 C ATOM 722 O GLU A 50 -8.469 -2.928 -7.788 1.00 0.00 O ATOM 723 CB GLU A 50 -11.418 -3.590 -6.812 1.00 0.00 C ATOM 724 CG GLU A 50 -12.219 -2.436 -7.392 1.00 0.00 C ATOM 725 CD GLU A 50 -13.612 -2.852 -7.822 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.475 -3.037 -6.938 1.00 0.00 O ATOM 727 OE2 GLU A 50 -13.840 -2.991 -9.042 1.00 0.00 O ATOM 0 H GLU A 50 -11.130 -1.589 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.600 -4.032 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.147 -4.274 -7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.049 -4.147 -6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.294 -1.641 -6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.686 -2.023 -8.249 1.00 0.00 H new ATOM 734 N GLU A 51 -9.381 -1.033 -6.988 1.00 0.00 N ATOM 735 CA GLU A 51 -8.586 -0.160 -7.845 1.00 0.00 C ATOM 736 C GLU A 51 -7.309 0.282 -7.137 1.00 0.00 C ATOM 737 O GLU A 51 -6.247 0.378 -7.751 1.00 0.00 O ATOM 738 CB GLU A 51 -9.403 1.065 -8.260 1.00 0.00 C ATOM 739 CG GLU A 51 -9.018 1.620 -9.622 1.00 0.00 C ATOM 740 CD GLU A 51 -9.926 2.750 -10.068 1.00 0.00 C ATOM 741 OE1 GLU A 51 -10.628 3.322 -9.208 1.00 0.00 O ATOM 742 OE2 GLU A 51 -9.935 3.062 -11.278 1.00 0.00 O ATOM 0 H GLU A 51 -10.026 -0.543 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.310 -0.722 -8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.460 0.800 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.278 1.846 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.989 1.978 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.052 0.818 -10.360 1.00 0.00 H new ATOM 749 N PHE A 52 -7.422 0.552 -5.840 1.00 0.00 N ATOM 750 CA PHE A 52 -6.278 0.986 -5.047 1.00 0.00 C ATOM 751 C PHE A 52 -5.096 0.039 -5.234 1.00 0.00 C ATOM 752 O PHE A 52 -4.995 -0.985 -4.559 1.00 0.00 O ATOM 753 CB PHE A 52 -6.656 1.063 -3.567 1.00 0.00 C ATOM 754 CG PHE A 52 -5.654 1.805 -2.729 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.127 3.011 -3.163 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.239 1.297 -1.509 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.205 3.696 -2.395 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.317 1.978 -0.736 1.00 0.00 C ATOM 759 CZ PHE A 52 -3.800 3.179 -1.180 1.00 0.00 C ATOM 0 H PHE A 52 -8.294 0.478 -5.316 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.984 1.978 -5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.627 1.549 -3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.767 0.052 -3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.440 3.420 -4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.640 0.358 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.801 4.635 -2.744 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.002 1.571 0.214 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.080 3.713 -0.578 1.00 0.00 H new ATOM 769 N ASN A 53 -4.205 0.389 -6.155 1.00 0.00 N ATOM 770 CA ASN A 53 -3.030 -0.430 -6.432 1.00 0.00 C ATOM 771 C ASN A 53 -1.748 0.375 -6.243 1.00 0.00 C ATOM 772 O ASN A 53 -1.791 1.570 -5.946 1.00 0.00 O ATOM 773 CB ASN A 53 -3.093 -0.983 -7.858 1.00 0.00 C ATOM 774 CG ASN A 53 -3.673 0.016 -8.840 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.244 1.169 -8.896 1.00 0.00 O ATOM 776 ND2 ASN A 53 -4.653 -0.423 -9.620 1.00 0.00 N ATOM 0 H ASN A 53 -4.274 1.234 -6.722 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.023 -1.261 -5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.091 -1.265 -8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.698 -1.890 -7.867 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.083 0.204 -10.301 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.977 -1.387 -9.539 1.00 0.00 H new ATOM 783 N CYS A 54 -0.609 -0.286 -6.417 1.00 0.00 N ATOM 784 CA CYS A 54 0.685 0.367 -6.266 1.00 0.00 C ATOM 785 C CYS A 54 1.015 1.213 -7.493 1.00 0.00 C ATOM 786 O CYS A 54 0.282 1.203 -8.481 1.00 0.00 O ATOM 787 CB CYS A 54 1.783 -0.675 -6.042 1.00 0.00 C ATOM 788 SG CYS A 54 3.245 -0.038 -5.162 1.00 0.00 S ATOM 0 H CYS A 54 -0.556 -1.274 -6.663 1.00 0.00 H new ATOM 0 HA CYS A 54 0.633 1.023 -5.397 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.367 -1.509 -5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.097 -1.069 -7.008 1.00 0.00 H new ATOM 793 N ALA A 55 2.123 1.943 -7.421 1.00 0.00 N ATOM 794 CA ALA A 55 2.551 2.793 -8.526 1.00 0.00 C ATOM 795 C ALA A 55 3.590 2.087 -9.390 1.00 0.00 C ATOM 796 O ALA A 55 3.749 2.403 -10.570 1.00 0.00 O ATOM 797 CB ALA A 55 3.106 4.107 -7.997 1.00 0.00 C ATOM 0 H ALA A 55 2.741 1.963 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 55 1.681 3.004 -9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.422 4.731 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.334 4.625 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.961 3.907 -7.351 1.00 0.00 H new ATOM 803 N HIS A 56 4.296 1.130 -8.796 1.00 0.00 N ATOM 804 CA HIS A 56 5.321 0.379 -9.513 1.00 0.00 C ATOM 805 C HIS A 56 4.876 -1.061 -9.745 1.00 0.00 C ATOM 806 O HIS A 56 4.902 -1.556 -10.873 1.00 0.00 O ATOM 807 CB HIS A 56 6.636 0.400 -8.733 1.00 0.00 C ATOM 808 CG HIS A 56 7.611 -0.647 -9.177 1.00 0.00 C ATOM 809 ND1 HIS A 56 7.708 -1.959 -8.858 1.00 0.00 N flip ATOM 810 CD2 HIS A 56 8.644 -0.390 -10.053 1.00 0.00 C flip ATOM 811 CE1 HIS A 56 8.785 -2.466 -9.542 1.00 0.00 C flip ATOM 812 NE2 HIS A 56 9.333 -1.499 -10.256 1.00 0.00 N flip ATOM 0 H HIS A 56 4.177 0.856 -7.821 1.00 0.00 H new ATOM 0 HA HIS A 56 5.474 0.854 -10.482 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.096 1.382 -8.839 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.423 0.261 -7.673 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.857 0.568 -10.503 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.128 -3.489 -9.503 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.149 -1.593 -10.861 1.00 0.00 H new ATOM 821 N CYS A 57 4.469 -1.731 -8.672 1.00 0.00 N ATOM 822 CA CYS A 57 4.020 -3.115 -8.758 1.00 0.00 C ATOM 823 C CYS A 57 2.497 -3.189 -8.824 1.00 0.00 C ATOM 824 O CYS A 57 1.911 -4.263 -8.689 1.00 0.00 O ATOM 825 CB CYS A 57 4.529 -3.914 -7.557 1.00 0.00 C ATOM 826 SG CYS A 57 3.665 -3.543 -5.996 1.00 0.00 S ATOM 0 H CYS A 57 4.441 -1.337 -7.732 1.00 0.00 H new ATOM 0 HA CYS A 57 4.427 -3.547 -9.672 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.427 -4.978 -7.772 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.593 -3.716 -7.427 1.00 0.00 H new ATOM 831 N LYS A 58 1.863 -2.041 -9.033 1.00 0.00 N ATOM 832 CA LYS A 58 0.409 -1.974 -9.119 1.00 0.00 C ATOM 833 C LYS A 58 -0.233 -3.171 -8.424 1.00 0.00 C ATOM 834 O LYS A 58 -1.084 -3.850 -8.997 1.00 0.00 O ATOM 835 CB LYS A 58 -0.034 -1.923 -10.583 1.00 0.00 C ATOM 836 CG LYS A 58 0.856 -2.725 -11.516 1.00 0.00 C ATOM 837 CD LYS A 58 0.552 -4.211 -11.436 1.00 0.00 C ATOM 838 CE LYS A 58 0.803 -4.904 -12.767 1.00 0.00 C ATOM 839 NZ LYS A 58 2.245 -5.220 -12.964 1.00 0.00 N ATOM 0 H LYS A 58 2.334 -1.143 -9.146 1.00 0.00 H new ATOM 0 HA LYS A 58 0.082 -1.065 -8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.055 -2.297 -10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.050 -0.884 -10.913 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.717 -2.379 -12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.902 -2.552 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.170 -4.669 -10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.487 -4.355 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.220 -5.824 -12.813 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.457 -4.266 -13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.375 -5.691 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.799 -4.340 -12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.570 -5.850 -12.203 1.00 0.00 H new ATOM 853 N ASN A 59 0.181 -3.422 -7.186 1.00 0.00 N ATOM 854 CA ASN A 59 -0.355 -4.537 -6.413 1.00 0.00 C ATOM 855 C ASN A 59 -1.359 -4.046 -5.375 1.00 0.00 C ATOM 856 O ASN A 59 -1.364 -2.871 -5.005 1.00 0.00 O ATOM 857 CB ASN A 59 0.779 -5.298 -5.723 1.00 0.00 C ATOM 858 CG ASN A 59 1.257 -4.604 -4.462 1.00 0.00 C ATOM 859 OD1 ASN A 59 0.811 -3.503 -4.139 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.170 -5.247 -3.743 1.00 0.00 N ATOM 0 H ASN A 59 0.885 -2.869 -6.697 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.869 -5.209 -7.100 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.440 -6.304 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.615 -5.405 -6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.530 -4.830 -2.885 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.511 -6.158 -4.049 1.00 0.00 H new ATOM 867 N THR A 60 -2.209 -4.954 -4.905 1.00 0.00 N ATOM 868 CA THR A 60 -3.218 -4.615 -3.910 1.00 0.00 C ATOM 869 C THR A 60 -2.587 -3.948 -2.693 1.00 0.00 C ATOM 870 O THR A 60 -1.763 -4.547 -2.003 1.00 0.00 O ATOM 871 CB THR A 60 -3.997 -5.862 -3.451 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.884 -5.519 -2.381 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.045 -6.957 -2.996 1.00 0.00 C ATOM 0 H THR A 60 -2.218 -5.931 -5.198 1.00 0.00 H new ATOM 0 HA THR A 60 -3.909 -3.919 -4.386 1.00 0.00 H new ATOM 0 HB THR A 60 -4.576 -6.234 -4.297 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.377 -6.317 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.618 -7.828 -2.676 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.391 -7.236 -3.822 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.443 -6.593 -2.163 1.00 0.00 H new ATOM 881 N MET A 61 -2.980 -2.704 -2.436 1.00 0.00 N ATOM 882 CA MET A 61 -2.453 -1.957 -1.300 1.00 0.00 C ATOM 883 C MET A 61 -3.522 -1.774 -0.227 1.00 0.00 C ATOM 884 O MET A 61 -3.644 -0.701 0.364 1.00 0.00 O ATOM 885 CB MET A 61 -1.934 -0.592 -1.757 1.00 0.00 C ATOM 886 CG MET A 61 -0.771 -0.680 -2.732 1.00 0.00 C ATOM 887 SD MET A 61 0.260 0.799 -2.719 1.00 0.00 S ATOM 888 CE MET A 61 -0.907 2.031 -3.290 1.00 0.00 C ATOM 0 H MET A 61 -3.661 -2.193 -2.998 1.00 0.00 H new ATOM 0 HA MET A 61 -1.628 -2.527 -0.873 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.749 -0.041 -2.225 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.623 -0.020 -0.883 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.159 -1.547 -2.484 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.157 -0.840 -3.739 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.491 2.555 -4.150 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.839 1.544 -3.578 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.103 2.745 -2.490 1.00 0.00 H new ATOM 898 N ALA A 62 -4.293 -2.827 0.019 1.00 0.00 N ATOM 899 CA ALA A 62 -5.350 -2.783 1.022 1.00 0.00 C ATOM 900 C ALA A 62 -4.836 -3.241 2.383 1.00 0.00 C ATOM 901 O ALA A 62 -4.935 -2.515 3.372 1.00 0.00 O ATOM 902 CB ALA A 62 -6.529 -3.640 0.585 1.00 0.00 C ATOM 0 H ALA A 62 -4.206 -3.722 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.682 -1.749 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.311 -3.598 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.920 -3.265 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.202 -4.672 0.459 1.00 0.00 H new ATOM 908 N TYR A 63 -4.287 -4.450 2.425 1.00 0.00 N ATOM 909 CA TYR A 63 -3.761 -5.007 3.666 1.00 0.00 C ATOM 910 C TYR A 63 -2.339 -4.516 3.923 1.00 0.00 C ATOM 911 O TYR A 63 -1.999 -4.121 5.039 1.00 0.00 O ATOM 912 CB TYR A 63 -3.782 -6.536 3.613 1.00 0.00 C ATOM 913 CG TYR A 63 -5.141 -7.111 3.285 1.00 0.00 C ATOM 914 CD1 TYR A 63 -6.078 -7.344 4.285 1.00 0.00 C ATOM 915 CD2 TYR A 63 -5.488 -7.423 1.977 1.00 0.00 C ATOM 916 CE1 TYR A 63 -7.321 -7.870 3.990 1.00 0.00 C ATOM 917 CE2 TYR A 63 -6.729 -7.948 1.673 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.642 -8.170 2.683 1.00 0.00 C ATOM 919 OH TYR A 63 -8.879 -8.695 2.384 1.00 0.00 O ATOM 0 H TYR A 63 -4.195 -5.063 1.615 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.397 -4.670 4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.063 -6.875 2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.453 -6.929 4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.830 -7.110 5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.775 -7.252 1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.037 -8.045 4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.983 -8.183 0.650 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.945 -8.848 1.418 1.00 0.00 H new ATOM 929 N ILE A 64 -1.514 -4.543 2.882 1.00 0.00 N ATOM 930 CA ILE A 64 -0.130 -4.099 2.994 1.00 0.00 C ATOM 931 C ILE A 64 -0.051 -2.590 3.196 1.00 0.00 C ATOM 932 O ILE A 64 -1.057 -1.888 3.106 1.00 0.00 O ATOM 933 CB ILE A 64 0.687 -4.482 1.745 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.050 -3.884 0.489 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.790 -5.995 1.623 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.034 -3.655 -0.637 1.00 0.00 C ATOM 0 H ILE A 64 -1.779 -4.867 1.952 1.00 0.00 H new ATOM 0 HA ILE A 64 0.293 -4.602 3.864 1.00 0.00 H new ATOM 0 HB ILE A 64 1.693 -4.076 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.740 -4.549 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.422 -2.936 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.370 -6.250 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.283 -6.399 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.209 -6.422 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.513 -3.230 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.811 -2.966 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.488 -4.604 -0.922 1.00 0.00 H new ATOM 948 N GLY A 65 1.153 -2.096 3.468 1.00 0.00 N ATOM 949 CA GLY A 65 1.342 -0.673 3.676 1.00 0.00 C ATOM 950 C GLY A 65 1.688 0.060 2.395 1.00 0.00 C ATOM 951 O GLY A 65 1.715 -0.536 1.318 1.00 0.00 O ATOM 0 H GLY A 65 2.001 -2.657 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.433 -0.247 4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.137 -0.518 4.406 1.00 0.00 H new ATOM 955 N PHE A 66 1.951 1.357 2.510 1.00 0.00 N ATOM 956 CA PHE A 66 2.295 2.174 1.352 1.00 0.00 C ATOM 957 C PHE A 66 2.961 3.477 1.783 1.00 0.00 C ATOM 958 O PHE A 66 2.857 3.888 2.939 1.00 0.00 O ATOM 959 CB PHE A 66 1.043 2.476 0.526 1.00 0.00 C ATOM 960 CG PHE A 66 -0.141 2.882 1.357 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.141 4.084 2.045 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.253 2.060 1.450 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.228 4.459 2.812 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.343 2.430 2.215 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.331 3.632 2.896 1.00 0.00 C ATOM 0 H PHE A 66 1.933 1.866 3.394 1.00 0.00 H new ATOM 0 HA PHE A 66 3.000 1.613 0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.269 3.272 -0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.781 1.594 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.718 4.736 1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.268 1.120 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.215 5.398 3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.203 1.780 2.280 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.182 3.924 3.493 1.00 0.00 H new ATOM 975 N VAL A 67 3.646 4.123 0.844 1.00 0.00 N ATOM 976 CA VAL A 67 4.329 5.380 1.125 1.00 0.00 C ATOM 977 C VAL A 67 4.074 6.402 0.023 1.00 0.00 C ATOM 978 O VAL A 67 4.298 6.127 -1.155 1.00 0.00 O ATOM 979 CB VAL A 67 5.847 5.172 1.277 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.548 6.502 1.512 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.141 4.198 2.408 1.00 0.00 C ATOM 0 H VAL A 67 3.742 3.796 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 67 3.926 5.756 2.065 1.00 0.00 H new ATOM 0 HB VAL A 67 6.232 4.745 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.620 6.335 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.365 7.164 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.162 6.961 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.219 4.063 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.743 4.594 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.672 3.238 2.192 1.00 0.00 H new ATOM 991 N GLU A 68 3.606 7.583 0.415 1.00 0.00 N ATOM 992 CA GLU A 68 3.322 8.647 -0.541 1.00 0.00 C ATOM 993 C GLU A 68 4.576 9.464 -0.836 1.00 0.00 C ATOM 994 O GLU A 68 5.267 9.911 0.080 1.00 0.00 O ATOM 995 CB GLU A 68 2.218 9.562 -0.006 1.00 0.00 C ATOM 996 CG GLU A 68 2.070 10.857 -0.786 1.00 0.00 C ATOM 997 CD GLU A 68 1.149 11.848 -0.101 1.00 0.00 C ATOM 998 OE1 GLU A 68 -0.082 11.731 -0.272 1.00 0.00 O ATOM 999 OE2 GLU A 68 1.661 12.742 0.606 1.00 0.00 O ATOM 0 H GLU A 68 3.416 7.827 1.387 1.00 0.00 H new ATOM 0 HA GLU A 68 2.984 8.185 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.270 9.024 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.427 9.798 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.052 11.311 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.684 10.636 -1.781 1.00 0.00 H new ATOM 1006 N GLU A 69 4.864 9.654 -2.120 1.00 0.00 N ATOM 1007 CA GLU A 69 6.036 10.416 -2.535 1.00 0.00 C ATOM 1008 C GLU A 69 5.784 11.121 -3.864 1.00 0.00 C ATOM 1009 O GLU A 69 5.753 10.488 -4.920 1.00 0.00 O ATOM 1010 CB GLU A 69 7.253 9.496 -2.655 1.00 0.00 C ATOM 1011 CG GLU A 69 8.463 10.167 -3.282 1.00 0.00 C ATOM 1012 CD GLU A 69 9.340 9.194 -4.046 1.00 0.00 C ATOM 1013 OE1 GLU A 69 8.859 8.620 -5.045 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.507 9.007 -3.644 1.00 0.00 O ATOM 0 H GLU A 69 4.302 9.291 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 69 6.234 11.172 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.523 9.133 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.982 8.624 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.128 10.955 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.053 10.646 -2.501 1.00 0.00 H new ATOM 1021 N LYS A 70 5.603 12.436 -3.805 1.00 0.00 N ATOM 1022 CA LYS A 70 5.354 13.229 -5.003 1.00 0.00 C ATOM 1023 C LYS A 70 4.138 12.704 -5.760 1.00 0.00 C ATOM 1024 O LYS A 70 4.133 12.657 -6.989 1.00 0.00 O ATOM 1025 CB LYS A 70 6.582 13.212 -5.915 1.00 0.00 C ATOM 1026 CG LYS A 70 7.795 13.901 -5.315 1.00 0.00 C ATOM 1027 CD LYS A 70 7.632 15.412 -5.306 1.00 0.00 C ATOM 1028 CE LYS A 70 7.806 15.999 -6.699 1.00 0.00 C ATOM 1029 NZ LYS A 70 9.235 16.014 -7.119 1.00 0.00 N ATOM 0 H LYS A 70 5.624 12.975 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 70 5.153 14.255 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.839 12.178 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.330 13.695 -6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.950 13.545 -4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.685 13.634 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.645 15.670 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.363 15.854 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.223 15.418 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.411 17.015 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.334 16.570 -7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.813 16.442 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.557 15.040 -7.290 1.00 0.00 H new ATOM 1043 N GLY A 71 3.108 12.311 -5.017 1.00 0.00 N ATOM 1044 CA GLY A 71 1.900 11.796 -5.636 1.00 0.00 C ATOM 1045 C GLY A 71 2.058 10.366 -6.112 1.00 0.00 C ATOM 1046 O GLY A 71 1.662 10.029 -7.228 1.00 0.00 O ATOM 0 H GLY A 71 3.088 12.340 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.078 11.849 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.630 12.429 -6.481 1.00 0.00 H new ATOM 1050 N ALA A 72 2.639 9.522 -5.266 1.00 0.00 N ATOM 1051 CA ALA A 72 2.847 8.120 -5.606 1.00 0.00 C ATOM 1052 C ALA A 72 2.899 7.253 -4.353 1.00 0.00 C ATOM 1053 O ALA A 72 3.682 7.512 -3.438 1.00 0.00 O ATOM 1054 CB ALA A 72 4.125 7.958 -6.416 1.00 0.00 C ATOM 0 H ALA A 72 2.974 9.785 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 72 2.002 7.789 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.268 6.906 -6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.050 8.540 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.974 8.312 -5.831 1.00 0.00 H new ATOM 1060 N LEU A 73 2.061 6.223 -4.317 1.00 0.00 N ATOM 1061 CA LEU A 73 2.011 5.317 -3.175 1.00 0.00 C ATOM 1062 C LEU A 73 2.779 4.031 -3.466 1.00 0.00 C ATOM 1063 O LEU A 73 2.419 3.270 -4.364 1.00 0.00 O ATOM 1064 CB LEU A 73 0.559 4.988 -2.823 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.273 6.141 -2.262 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.706 5.695 -2.015 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.350 6.674 -0.981 1.00 0.00 C ATOM 0 H LEU A 73 1.407 5.994 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 73 2.480 5.815 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.065 4.612 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.557 4.177 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.287 6.945 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.283 6.529 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.150 5.362 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.713 4.873 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.256 7.494 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.395 5.877 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.358 7.034 -1.189 1.00 0.00 H new ATOM 1079 N TYR A 74 3.839 3.795 -2.700 1.00 0.00 N ATOM 1080 CA TYR A 74 4.658 2.602 -2.875 1.00 0.00 C ATOM 1081 C TYR A 74 4.567 1.695 -1.652 1.00 0.00 C ATOM 1082 O TYR A 74 4.815 2.124 -0.525 1.00 0.00 O ATOM 1083 CB TYR A 74 6.116 2.992 -3.127 1.00 0.00 C ATOM 1084 CG TYR A 74 6.295 3.950 -4.283 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.375 3.485 -5.590 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.385 5.320 -4.069 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.540 4.356 -6.650 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.547 6.199 -5.122 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.625 5.712 -6.411 1.00 0.00 C ATOM 1090 OH TYR A 74 6.788 6.584 -7.462 1.00 0.00 O ATOM 0 H TYR A 74 4.151 4.414 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 74 4.280 2.056 -3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.523 3.446 -2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.697 2.090 -3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.307 2.424 -5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.327 5.704 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.602 3.977 -7.660 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.612 7.261 -4.938 1.00 0.00 H new ATOM 0 HH TYR A 74 6.828 7.502 -7.122 1.00 0.00 H new ATOM 1100 N CYS A 75 4.210 0.436 -1.883 1.00 0.00 N ATOM 1101 CA CYS A 75 4.086 -0.535 -0.803 1.00 0.00 C ATOM 1102 C CYS A 75 5.411 -0.700 -0.064 1.00 0.00 C ATOM 1103 O CYS A 75 6.479 -0.456 -0.625 1.00 0.00 O ATOM 1104 CB CYS A 75 3.625 -1.886 -1.354 1.00 0.00 C ATOM 1105 SG CYS A 75 4.783 -2.638 -2.543 1.00 0.00 S ATOM 0 H CYS A 75 4.001 0.064 -2.810 1.00 0.00 H new ATOM 0 HA CYS A 75 3.341 -0.164 -0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.477 -2.574 -0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.657 -1.758 -1.838 1.00 0.00 H new ATOM 1110 N GLU A 76 5.332 -1.115 1.196 1.00 0.00 N ATOM 1111 CA GLU A 76 6.525 -1.312 2.011 1.00 0.00 C ATOM 1112 C GLU A 76 7.602 -2.058 1.228 1.00 0.00 C ATOM 1113 O GLU A 76 8.794 -1.787 1.377 1.00 0.00 O ATOM 1114 CB GLU A 76 6.178 -2.084 3.285 1.00 0.00 C ATOM 1115 CG GLU A 76 5.518 -3.428 3.022 1.00 0.00 C ATOM 1116 CD GLU A 76 5.644 -4.380 4.195 1.00 0.00 C ATOM 1117 OE1 GLU A 76 6.783 -4.605 4.656 1.00 0.00 O ATOM 1118 OE2 GLU A 76 4.605 -4.899 4.653 1.00 0.00 O ATOM 0 H GLU A 76 4.455 -1.321 1.674 1.00 0.00 H new ATOM 0 HA GLU A 76 6.913 -0.331 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.088 -2.243 3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.513 -1.476 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.463 -3.272 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.968 -3.883 2.140 1.00 0.00 H new ATOM 1125 N LEU A 77 7.174 -2.999 0.394 1.00 0.00 N ATOM 1126 CA LEU A 77 8.100 -3.786 -0.413 1.00 0.00 C ATOM 1127 C LEU A 77 8.879 -2.893 -1.373 1.00 0.00 C ATOM 1128 O LEU A 77 10.110 -2.918 -1.401 1.00 0.00 O ATOM 1129 CB LEU A 77 7.341 -4.858 -1.197 1.00 0.00 C ATOM 1130 CG LEU A 77 6.819 -6.041 -0.382 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.620 -6.675 -1.070 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.920 -7.070 -0.170 1.00 0.00 C ATOM 0 H LEU A 77 6.191 -3.236 0.259 1.00 0.00 H new ATOM 0 HA LEU A 77 8.808 -4.270 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.495 -4.385 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.997 -5.242 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 77 6.500 -5.673 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.262 -7.515 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.825 -5.936 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.913 -7.029 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.530 -7.905 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.270 -7.433 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.750 -6.610 0.366 1.00 0.00 H new ATOM 1144 N CYS A 78 8.154 -2.103 -2.158 1.00 0.00 N ATOM 1145 CA CYS A 78 8.776 -1.200 -3.119 1.00 0.00 C ATOM 1146 C CYS A 78 9.656 -0.174 -2.411 1.00 0.00 C ATOM 1147 O CYS A 78 10.746 0.154 -2.881 1.00 0.00 O ATOM 1148 CB CYS A 78 7.705 -0.485 -3.946 1.00 0.00 C ATOM 1149 SG CYS A 78 6.928 -1.531 -5.219 1.00 0.00 S ATOM 0 H CYS A 78 7.135 -2.070 -2.147 1.00 0.00 H new ATOM 0 HA CYS A 78 9.403 -1.794 -3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.931 -0.113 -3.275 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.153 0.384 -4.428 1.00 0.00 H new ATOM 1154 N TYR A 79 9.176 0.329 -1.279 1.00 0.00 N ATOM 1155 CA TYR A 79 9.917 1.319 -0.507 1.00 0.00 C ATOM 1156 C TYR A 79 11.235 0.739 -0.001 1.00 0.00 C ATOM 1157 O TYR A 79 12.312 1.168 -0.414 1.00 0.00 O ATOM 1158 CB TYR A 79 9.077 1.809 0.673 1.00 0.00 C ATOM 1159 CG TYR A 79 9.761 2.872 1.503 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.903 2.580 2.238 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.265 4.170 1.550 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.530 3.548 2.998 1.00 0.00 C ATOM 1163 CE2 TYR A 79 9.887 5.145 2.306 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.019 4.829 3.029 1.00 0.00 C ATOM 1165 OH TYR A 79 11.642 5.796 3.783 1.00 0.00 O ATOM 0 H TYR A 79 8.276 0.067 -0.876 1.00 0.00 H new ATOM 0 HA TYR A 79 10.139 2.162 -1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.133 2.205 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.835 0.960 1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.308 1.579 2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.379 4.420 0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.416 3.303 3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.489 6.149 2.331 1.00 0.00 H new ATOM 0 HH TYR A 79 11.156 6.643 3.695 1.00 0.00 H new ATOM 1175 N GLU A 80 11.139 -0.238 0.894 1.00 0.00 N ATOM 1176 CA GLU A 80 12.324 -0.876 1.457 1.00 0.00 C ATOM 1177 C GLU A 80 13.291 -1.297 0.354 1.00 0.00 C ATOM 1178 O GLU A 80 14.471 -1.540 0.607 1.00 0.00 O ATOM 1179 CB GLU A 80 11.925 -2.094 2.294 1.00 0.00 C ATOM 1180 CG GLU A 80 13.104 -2.796 2.946 1.00 0.00 C ATOM 1181 CD GLU A 80 13.676 -2.014 4.113 1.00 0.00 C ATOM 1182 OE1 GLU A 80 12.889 -1.369 4.837 1.00 0.00 O ATOM 1183 OE2 GLU A 80 14.910 -2.047 4.302 1.00 0.00 O ATOM 0 H GLU A 80 10.255 -0.605 1.245 1.00 0.00 H new ATOM 0 HA GLU A 80 12.826 -0.152 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.227 -1.779 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.396 -2.804 1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.790 -3.781 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.885 -2.954 2.202 1.00 0.00 H new ATOM 1190 N LYS A 81 12.781 -1.383 -0.870 1.00 0.00 N ATOM 1191 CA LYS A 81 13.598 -1.774 -2.013 1.00 0.00 C ATOM 1192 C LYS A 81 14.432 -0.599 -2.513 1.00 0.00 C ATOM 1193 O LYS A 81 15.662 -0.657 -2.521 1.00 0.00 O ATOM 1194 CB LYS A 81 12.710 -2.300 -3.144 1.00 0.00 C ATOM 1195 CG LYS A 81 12.500 -3.803 -3.102 1.00 0.00 C ATOM 1196 CD LYS A 81 12.105 -4.349 -4.464 1.00 0.00 C ATOM 1197 CE LYS A 81 10.710 -3.892 -4.864 1.00 0.00 C ATOM 1198 NZ LYS A 81 10.133 -4.748 -5.937 1.00 0.00 N ATOM 0 H LYS A 81 11.806 -1.187 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 81 14.274 -2.566 -1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.740 -1.804 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.157 -2.030 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.415 -4.290 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.725 -4.043 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.826 -4.019 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.141 -5.438 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.057 -3.913 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.751 -2.858 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.182 -4.404 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.743 -4.708 -6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.070 -5.730 -5.601 1.00 0.00 H new ATOM 1212 N PHE A 82 13.756 0.468 -2.927 1.00 0.00 N ATOM 1213 CA PHE A 82 14.436 1.657 -3.428 1.00 0.00 C ATOM 1214 C PHE A 82 14.526 2.728 -2.345 1.00 0.00 C ATOM 1215 O PHE A 82 15.615 3.181 -1.993 1.00 0.00 O ATOM 1216 CB PHE A 82 13.703 2.212 -4.651 1.00 0.00 C ATOM 1217 CG PHE A 82 13.296 1.154 -5.637 1.00 0.00 C ATOM 1218 CD1 PHE A 82 14.207 0.657 -6.555 1.00 0.00 C ATOM 1219 CD2 PHE A 82 12.003 0.658 -5.645 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.835 -0.316 -7.464 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.625 -0.315 -6.552 1.00 0.00 C ATOM 1222 CZ PHE A 82 12.542 -0.803 -7.461 1.00 0.00 C ATOM 0 H PHE A 82 12.738 0.534 -2.925 1.00 0.00 H new ATOM 0 HA PHE A 82 15.447 1.372 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.815 2.749 -4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.345 2.936 -5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.219 1.034 -6.561 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.282 1.035 -4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.554 -0.695 -8.175 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.613 -0.693 -6.549 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.249 -1.564 -8.169 1.00 0.00 H new ATOM 1232 N PHE A 83 13.372 3.129 -1.821 1.00 0.00 N ATOM 1233 CA PHE A 83 13.319 4.149 -0.780 1.00 0.00 C ATOM 1234 C PHE A 83 14.380 3.893 0.287 1.00 0.00 C ATOM 1235 O PHE A 83 15.291 4.698 0.478 1.00 0.00 O ATOM 1236 CB PHE A 83 11.931 4.180 -0.137 1.00 0.00 C ATOM 1237 CG PHE A 83 10.967 5.095 -0.837 1.00 0.00 C ATOM 1238 CD1 PHE A 83 10.407 4.735 -2.052 1.00 0.00 C ATOM 1239 CD2 PHE A 83 10.621 6.315 -0.279 1.00 0.00 C ATOM 1240 CE1 PHE A 83 9.519 5.574 -2.698 1.00 0.00 C ATOM 1241 CE2 PHE A 83 9.734 7.159 -0.920 1.00 0.00 C ATOM 1242 CZ PHE A 83 9.183 6.788 -2.132 1.00 0.00 C ATOM 0 H PHE A 83 12.462 2.763 -2.100 1.00 0.00 H new ATOM 0 HA PHE A 83 13.520 5.115 -1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.520 3.170 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.028 4.493 0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.668 3.787 -2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.049 6.610 0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.088 5.281 -3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.472 8.107 -0.474 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.491 7.446 -2.636 1.00 0.00 H new ATOM 1252 N ALA A 84 14.255 2.765 0.979 1.00 0.00 N ATOM 1253 CA ALA A 84 15.202 2.401 2.025 1.00 0.00 C ATOM 1254 C ALA A 84 16.639 2.499 1.522 1.00 0.00 C ATOM 1255 O ALA A 84 17.369 3.424 1.879 1.00 0.00 O ATOM 1256 CB ALA A 84 14.914 0.996 2.533 1.00 0.00 C ATOM 0 H ALA A 84 13.507 2.087 0.834 1.00 0.00 H new ATOM 0 HA ALA A 84 15.083 3.105 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.629 0.738 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.903 0.956 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.003 0.286 1.710 1.00 0.00 H new ATOM 1262 N SER A 85 17.038 1.540 0.693 1.00 0.00 N ATOM 1263 CA SER A 85 18.389 1.516 0.145 1.00 0.00 C ATOM 1264 C SER A 85 18.872 2.928 -0.170 1.00 0.00 C ATOM 1265 O SER A 85 18.138 3.736 -0.737 1.00 0.00 O ATOM 1266 CB SER A 85 18.435 0.655 -1.119 1.00 0.00 C ATOM 1267 OG SER A 85 18.085 1.412 -2.264 1.00 0.00 O ATOM 0 H SER A 85 16.445 0.769 0.386 1.00 0.00 H new ATOM 0 HA SER A 85 19.051 1.083 0.895 1.00 0.00 H new ATOM 0 HB2 SER A 85 19.435 0.241 -1.245 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.752 -0.188 -1.014 1.00 0.00 H new ATOM 0 HG SER A 85 17.311 1.977 -2.059 1.00 0.00 H new ATOM 1273 N GLY A 86 20.115 3.219 0.203 1.00 0.00 N ATOM 1274 CA GLY A 86 20.677 4.533 -0.047 1.00 0.00 C ATOM 1275 C GLY A 86 21.102 4.717 -1.491 1.00 0.00 C ATOM 1276 O GLY A 86 21.462 3.763 -2.180 1.00 0.00 O ATOM 0 H GLY A 86 20.743 2.567 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.941 5.295 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 86 21.538 4.687 0.604 1.00 0.00 H new ATOM 1280 N PRO A 87 21.060 5.970 -1.969 1.00 0.00 N ATOM 1281 CA PRO A 87 21.440 6.304 -3.345 1.00 0.00 C ATOM 1282 C PRO A 87 22.938 6.157 -3.585 1.00 0.00 C ATOM 1283 O PRO A 87 23.733 6.190 -2.646 1.00 0.00 O ATOM 1284 CB PRO A 87 21.017 7.769 -3.483 1.00 0.00 C ATOM 1285 CG PRO A 87 21.038 8.302 -2.092 1.00 0.00 C ATOM 1286 CD PRO A 87 20.641 7.155 -1.203 1.00 0.00 C ATOM 0 HA PRO A 87 20.970 5.640 -4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 87 21.702 8.320 -4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 87 20.024 7.854 -3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 87 22.029 8.673 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 87 20.346 9.137 -1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 87 21.140 7.205 -0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.568 7.150 -1.009 1.00 0.00 H new ATOM 1294 N SER A 88 23.317 5.995 -4.849 1.00 0.00 N ATOM 1295 CA SER A 88 24.721 5.840 -5.212 1.00 0.00 C ATOM 1296 C SER A 88 25.453 4.973 -4.192 1.00 0.00 C ATOM 1297 O SER A 88 26.571 5.286 -3.783 1.00 0.00 O ATOM 1298 CB SER A 88 25.398 7.208 -5.314 1.00 0.00 C ATOM 1299 OG SER A 88 25.220 7.955 -4.123 1.00 0.00 O ATOM 0 H SER A 88 22.672 5.968 -5.638 1.00 0.00 H new ATOM 0 HA SER A 88 24.767 5.347 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 88 26.462 7.077 -5.509 1.00 0.00 H new ATOM 0 HB3 SER A 88 24.985 7.760 -6.158 1.00 0.00 H new ATOM 0 HG SER A 88 25.663 8.824 -4.213 1.00 0.00 H new ATOM 1305 N SER A 89 24.813 3.881 -3.785 1.00 0.00 N ATOM 1306 CA SER A 89 25.401 2.970 -2.810 1.00 0.00 C ATOM 1307 C SER A 89 26.787 2.515 -3.257 1.00 0.00 C ATOM 1308 O SER A 89 27.749 2.576 -2.493 1.00 0.00 O ATOM 1309 CB SER A 89 24.494 1.754 -2.606 1.00 0.00 C ATOM 1310 OG SER A 89 24.986 0.919 -1.572 1.00 0.00 O ATOM 0 H SER A 89 23.888 3.606 -4.115 1.00 0.00 H new ATOM 0 HA SER A 89 25.501 3.504 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 89 23.485 2.086 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 89 24.426 1.187 -3.534 1.00 0.00 H new ATOM 0 HG SER A 89 24.389 0.150 -1.460 1.00 0.00 H new ATOM 1316 N GLY A 90 26.880 2.060 -4.503 1.00 0.00 N ATOM 1317 CA GLY A 90 28.152 1.601 -5.032 1.00 0.00 C ATOM 1318 C GLY A 90 28.785 2.608 -5.971 1.00 0.00 C ATOM 1319 O GLY A 90 29.449 3.531 -5.501 1.00 0.00 O ATOM 0 H GLY A 90 26.098 2.001 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 90 28.834 1.400 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 90 28.004 0.659 -5.560 1.00 0.00 H new TER 1323 GLY A 90 HETATM 1324 ZN ZN A 201 -12.115 3.765 -7.868 1.00 0.00 ZN HETATM 1325 ZN ZN A 401 4.636 -1.852 -4.723 1.00 0.00 ZN