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+ -112:sc= 0.0955 (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=-0.00391 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0685 K(o=-0.069,f=-1.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0.193 K(o=0.19,f=-0.68) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 65:sc= 0.187 USER MOD Single : A 27 MET CE :methyl -138:sc= -6.91! (180deg=-9.3!) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.0701 F(o=-0.62,f=-0.07) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0487 F(o=-0.76,f=-0.049) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -152:sc= 0.442 USER MOD Single : A 53 ASN : amide:sc= -1.92! C(o=-1.9!,f=-7.7!) USER MOD Single : A 56 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.028) USER MOD Single : A 58 LYS NZ :NH3+ -106:sc= 0.639 (180deg=0.00475) USER MOD Single : A 59 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.2!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -123:sc= -1.79 (180deg=-6.54!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= -0.049 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.902 14.423 21.456 1.00 0.00 N ATOM 2 CA GLY A 1 -8.549 14.029 21.109 1.00 0.00 C ATOM 3 C GLY A 1 -7.569 14.260 22.242 1.00 0.00 C ATOM 4 O GLY A 1 -7.937 14.786 23.292 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.505 13.578 21.518 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.897 14.912 22.374 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.276 15.062 20.725 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.540 12.974 20.835 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.224 14.589 20.232 1.00 0.00 H new ATOM 8 N SER A 2 -6.318 13.863 22.030 1.00 0.00 N ATOM 9 CA SER A 2 -5.284 14.024 23.045 1.00 0.00 C ATOM 10 C SER A 2 -3.915 14.218 22.399 1.00 0.00 C ATOM 11 O SER A 2 -3.616 13.625 21.362 1.00 0.00 O ATOM 12 CB SER A 2 -5.255 12.806 23.971 1.00 0.00 C ATOM 13 OG SER A 2 -4.450 13.053 25.112 1.00 0.00 O ATOM 0 H SER A 2 -5.997 13.428 21.165 1.00 0.00 H new ATOM 0 HA SER A 2 -5.520 14.912 23.631 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.269 12.559 24.284 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.869 11.942 23.429 1.00 0.00 H new ATOM 0 HG SER A 2 -4.449 12.261 25.689 1.00 0.00 H new ATOM 19 N SER A 3 -3.088 15.052 23.020 1.00 0.00 N ATOM 20 CA SER A 3 -1.752 15.329 22.505 1.00 0.00 C ATOM 21 C SER A 3 -0.715 14.434 23.176 1.00 0.00 C ATOM 22 O SER A 3 -0.748 14.226 24.388 1.00 0.00 O ATOM 23 CB SER A 3 -1.392 16.799 22.725 1.00 0.00 C ATOM 24 OG SER A 3 -0.057 17.063 22.326 1.00 0.00 O ATOM 0 H SER A 3 -3.319 15.548 23.881 1.00 0.00 H new ATOM 0 HA SER A 3 -1.751 15.118 21.436 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.076 17.433 22.160 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.517 17.054 23.777 1.00 0.00 H new ATOM 0 HG SER A 3 0.148 18.010 22.475 1.00 0.00 H new ATOM 30 N GLY A 4 0.208 13.905 22.377 1.00 0.00 N ATOM 31 CA GLY A 4 1.242 13.038 22.910 1.00 0.00 C ATOM 32 C GLY A 4 2.535 13.126 22.124 1.00 0.00 C ATOM 33 O GLY A 4 2.717 14.036 21.316 1.00 0.00 O ATOM 0 H GLY A 4 0.257 14.062 21.370 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.434 13.303 23.950 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.886 12.008 22.904 1.00 0.00 H new ATOM 37 N SER A 5 3.436 12.178 22.362 1.00 0.00 N ATOM 38 CA SER A 5 4.721 12.156 21.673 1.00 0.00 C ATOM 39 C SER A 5 5.460 10.849 21.944 1.00 0.00 C ATOM 40 O SER A 5 5.052 10.056 22.793 1.00 0.00 O ATOM 41 CB SER A 5 5.581 13.341 22.116 1.00 0.00 C ATOM 42 OG SER A 5 6.652 13.559 21.214 1.00 0.00 O ATOM 0 H SER A 5 3.300 11.416 23.026 1.00 0.00 H new ATOM 0 HA SER A 5 4.533 12.232 20.602 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.965 14.238 22.178 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.975 13.155 23.115 1.00 0.00 H new ATOM 0 HG SER A 5 7.186 14.323 21.518 1.00 0.00 H new ATOM 48 N SER A 6 6.549 10.630 21.214 1.00 0.00 N ATOM 49 CA SER A 6 7.344 9.417 21.371 1.00 0.00 C ATOM 50 C SER A 6 8.778 9.642 20.901 1.00 0.00 C ATOM 51 O SER A 6 9.024 10.402 19.965 1.00 0.00 O ATOM 52 CB SER A 6 6.713 8.264 20.588 1.00 0.00 C ATOM 53 OG SER A 6 7.150 7.011 21.086 1.00 0.00 O ATOM 0 H SER A 6 6.901 11.277 20.508 1.00 0.00 H new ATOM 0 HA SER A 6 7.364 9.160 22.430 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.627 8.327 20.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.974 8.351 19.533 1.00 0.00 H new ATOM 0 HG SER A 6 6.732 6.290 20.571 1.00 0.00 H new ATOM 59 N GLY A 7 9.721 8.975 21.559 1.00 0.00 N ATOM 60 CA GLY A 7 11.119 9.115 21.195 1.00 0.00 C ATOM 61 C GLY A 7 11.443 8.448 19.873 1.00 0.00 C ATOM 62 O GLY A 7 11.911 9.100 18.939 1.00 0.00 O ATOM 0 H GLY A 7 9.542 8.340 22.337 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.372 10.174 21.136 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.741 8.682 21.979 1.00 0.00 H new ATOM 66 N ASP A 8 11.197 7.145 19.793 1.00 0.00 N ATOM 67 CA ASP A 8 11.466 6.389 18.575 1.00 0.00 C ATOM 68 C ASP A 8 10.515 6.803 17.457 1.00 0.00 C ATOM 69 O ASP A 8 9.531 7.503 17.694 1.00 0.00 O ATOM 70 CB ASP A 8 11.338 4.889 18.842 1.00 0.00 C ATOM 71 CG ASP A 8 12.545 4.324 19.565 1.00 0.00 C ATOM 72 OD1 ASP A 8 13.681 4.691 19.200 1.00 0.00 O ATOM 73 OD2 ASP A 8 12.353 3.515 20.497 1.00 0.00 O ATOM 0 H ASP A 8 10.812 6.590 20.557 1.00 0.00 H new ATOM 0 HA ASP A 8 12.486 6.608 18.259 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.443 4.704 19.436 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.207 4.364 17.896 1.00 0.00 H new ATOM 78 N GLN A 9 10.816 6.366 16.238 1.00 0.00 N ATOM 79 CA GLN A 9 9.988 6.693 15.084 1.00 0.00 C ATOM 80 C GLN A 9 9.685 5.445 14.261 1.00 0.00 C ATOM 81 O GLN A 9 10.212 4.366 14.533 1.00 0.00 O ATOM 82 CB GLN A 9 10.684 7.738 14.210 1.00 0.00 C ATOM 83 CG GLN A 9 11.930 7.215 13.512 1.00 0.00 C ATOM 84 CD GLN A 9 12.372 8.103 12.365 1.00 0.00 C ATOM 85 OE1 GLN A 9 11.597 8.915 11.859 1.00 0.00 O ATOM 86 NE2 GLN A 9 13.623 7.952 11.948 1.00 0.00 N ATOM 0 H GLN A 9 11.627 5.785 16.025 1.00 0.00 H new ATOM 0 HA GLN A 9 9.046 7.104 15.448 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.981 8.098 13.459 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.956 8.594 14.828 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.740 7.133 14.236 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.736 6.211 13.135 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.231 7.267 12.397 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.977 8.521 11.179 1.00 0.00 H new ATOM 95 N ASP A 10 8.832 5.599 13.254 1.00 0.00 N ATOM 96 CA ASP A 10 8.459 4.485 12.390 1.00 0.00 C ATOM 97 C ASP A 10 8.634 4.854 10.921 1.00 0.00 C ATOM 98 O ASP A 10 8.856 6.017 10.583 1.00 0.00 O ATOM 99 CB ASP A 10 7.011 4.069 12.655 1.00 0.00 C ATOM 100 CG ASP A 10 6.641 2.779 11.950 1.00 0.00 C ATOM 101 OD1 ASP A 10 7.115 1.709 12.384 1.00 0.00 O ATOM 102 OD2 ASP A 10 5.877 2.840 10.964 1.00 0.00 O ATOM 0 H ASP A 10 8.386 6.485 13.016 1.00 0.00 H new ATOM 0 HA ASP A 10 9.117 3.646 12.616 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.861 3.949 13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.342 4.864 12.326 1.00 0.00 H new ATOM 107 N THR A 11 8.535 3.855 10.049 1.00 0.00 N ATOM 108 CA THR A 11 8.685 4.074 8.616 1.00 0.00 C ATOM 109 C THR A 11 7.446 4.741 8.029 1.00 0.00 C ATOM 110 O THR A 11 6.331 4.535 8.510 1.00 0.00 O ATOM 111 CB THR A 11 8.944 2.751 7.870 1.00 0.00 C ATOM 112 OG1 THR A 11 9.891 1.958 8.594 1.00 0.00 O ATOM 113 CG2 THR A 11 9.465 3.016 6.465 1.00 0.00 C ATOM 0 H THR A 11 8.352 2.886 10.311 1.00 0.00 H new ATOM 0 HA THR A 11 9.545 4.731 8.485 1.00 0.00 H new ATOM 0 HB THR A 11 8.001 2.210 7.795 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.049 1.118 8.114 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.641 2.068 5.957 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.729 3.595 5.907 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.399 3.575 6.523 1.00 0.00 H new ATOM 121 N LEU A 12 7.648 5.539 6.986 1.00 0.00 N ATOM 122 CA LEU A 12 6.546 6.236 6.332 1.00 0.00 C ATOM 123 C LEU A 12 5.391 5.282 6.046 1.00 0.00 C ATOM 124 O LEU A 12 4.229 5.689 6.011 1.00 0.00 O ATOM 125 CB LEU A 12 7.025 6.879 5.030 1.00 0.00 C ATOM 126 CG LEU A 12 7.507 8.327 5.134 1.00 0.00 C ATOM 127 CD1 LEU A 12 8.791 8.405 5.945 1.00 0.00 C ATOM 128 CD2 LEU A 12 7.713 8.921 3.748 1.00 0.00 C ATOM 0 H LEU A 12 8.564 5.719 6.575 1.00 0.00 H new ATOM 0 HA LEU A 12 6.191 7.015 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.838 6.275 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.210 6.839 4.307 1.00 0.00 H new ATOM 0 HG LEU A 12 6.741 8.909 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.119 9.443 6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.611 8.019 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.564 7.809 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.056 9.951 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.460 8.337 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.771 8.900 3.200 1.00 0.00 H new ATOM 140 N VAL A 13 5.717 4.009 5.845 1.00 0.00 N ATOM 141 CA VAL A 13 4.707 2.995 5.566 1.00 0.00 C ATOM 142 C VAL A 13 3.439 3.246 6.375 1.00 0.00 C ATOM 143 O VAL A 13 3.477 3.300 7.604 1.00 0.00 O ATOM 144 CB VAL A 13 5.231 1.581 5.876 1.00 0.00 C ATOM 145 CG1 VAL A 13 4.127 0.550 5.690 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.431 1.253 5.001 1.00 0.00 C ATOM 0 H VAL A 13 6.673 3.655 5.870 1.00 0.00 H new ATOM 0 HA VAL A 13 4.475 3.062 4.503 1.00 0.00 H new ATOM 0 HB VAL A 13 5.552 1.552 6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.516 -0.444 5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.301 0.776 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.773 0.578 4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.788 0.250 5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.140 1.300 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.227 1.974 5.189 1.00 0.00 H new ATOM 156 N GLN A 14 2.318 3.396 5.677 1.00 0.00 N ATOM 157 CA GLN A 14 1.039 3.641 6.331 1.00 0.00 C ATOM 158 C GLN A 14 0.043 2.531 6.011 1.00 0.00 C ATOM 159 O GLN A 14 0.311 1.663 5.180 1.00 0.00 O ATOM 160 CB GLN A 14 0.470 4.993 5.898 1.00 0.00 C ATOM 161 CG GLN A 14 1.396 6.164 6.188 1.00 0.00 C ATOM 162 CD GLN A 14 0.657 7.484 6.276 1.00 0.00 C ATOM 163 OE1 GLN A 14 0.632 8.126 7.327 1.00 0.00 O ATOM 164 NE2 GLN A 14 0.051 7.899 5.170 1.00 0.00 N ATOM 0 H GLN A 14 2.270 3.352 4.659 1.00 0.00 H new ATOM 0 HA GLN A 14 1.207 3.655 7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.259 4.963 4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.480 5.157 6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.922 5.983 7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.152 6.227 5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.097 7.336 4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.461 8.781 5.169 1.00 0.00 H new ATOM 173 N ARG A 15 -1.108 2.566 6.675 1.00 0.00 N ATOM 174 CA ARG A 15 -2.143 1.562 6.463 1.00 0.00 C ATOM 175 C ARG A 15 -3.519 2.214 6.356 1.00 0.00 C ATOM 176 O ARG A 15 -3.957 2.915 7.268 1.00 0.00 O ATOM 177 CB ARG A 15 -2.137 0.542 7.603 1.00 0.00 C ATOM 178 CG ARG A 15 -0.836 -0.234 7.719 1.00 0.00 C ATOM 179 CD ARG A 15 -0.918 -1.302 8.799 1.00 0.00 C ATOM 180 NE ARG A 15 -1.292 -0.742 10.095 1.00 0.00 N ATOM 181 CZ ARG A 15 -2.550 -0.608 10.502 1.00 0.00 C ATOM 182 NH1 ARG A 15 -3.548 -0.992 9.719 1.00 0.00 N ATOM 183 NH2 ARG A 15 -2.810 -0.090 11.696 1.00 0.00 N ATOM 0 H ARG A 15 -1.347 3.279 7.364 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.929 1.049 5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.326 1.060 8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.957 -0.160 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.603 -0.700 6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.021 0.453 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.647 -2.058 8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.045 -1.805 8.886 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.547 -0.437 10.722 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.352 -1.392 8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.513 -0.888 10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.044 0.205 12.302 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.776 0.013 12.008 1.00 0.00 H new ATOM 197 N ALA A 16 -4.195 1.978 5.236 1.00 0.00 N ATOM 198 CA ALA A 16 -5.521 2.540 5.011 1.00 0.00 C ATOM 199 C ALA A 16 -6.545 1.928 5.961 1.00 0.00 C ATOM 200 O ALA A 16 -6.565 0.715 6.168 1.00 0.00 O ATOM 201 CB ALA A 16 -5.945 2.329 3.566 1.00 0.00 C ATOM 0 H ALA A 16 -3.846 1.401 4.470 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.474 3.610 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.937 2.754 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.233 2.820 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.969 1.262 3.346 1.00 0.00 H new ATOM 207 N GLU A 17 -7.394 2.775 6.534 1.00 0.00 N ATOM 208 CA GLU A 17 -8.420 2.316 7.463 1.00 0.00 C ATOM 209 C GLU A 17 -9.531 1.575 6.724 1.00 0.00 C ATOM 210 O GLU A 17 -10.258 2.163 5.923 1.00 0.00 O ATOM 211 CB GLU A 17 -9.008 3.499 8.235 1.00 0.00 C ATOM 212 CG GLU A 17 -9.676 3.103 9.540 1.00 0.00 C ATOM 213 CD GLU A 17 -8.694 3.005 10.692 1.00 0.00 C ATOM 214 OE1 GLU A 17 -7.973 1.989 10.773 1.00 0.00 O ATOM 215 OE2 GLU A 17 -8.646 3.946 11.512 1.00 0.00 O ATOM 0 H GLU A 17 -7.392 3.782 6.371 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.953 1.628 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.214 4.215 8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.736 4.008 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.447 3.834 9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.176 2.143 9.411 1.00 0.00 H new ATOM 222 N HIS A 18 -9.654 0.280 6.998 1.00 0.00 N ATOM 223 CA HIS A 18 -10.676 -0.542 6.359 1.00 0.00 C ATOM 224 C HIS A 18 -12.072 -0.121 6.809 1.00 0.00 C ATOM 225 O HIS A 18 -12.482 -0.401 7.935 1.00 0.00 O ATOM 226 CB HIS A 18 -10.447 -2.019 6.683 1.00 0.00 C ATOM 227 CG HIS A 18 -9.395 -2.663 5.833 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.648 -3.736 5.006 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.080 -2.377 5.685 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.534 -4.084 4.387 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.568 -3.275 4.781 1.00 0.00 N ATOM 0 H HIS A 18 -9.060 -0.222 7.657 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.602 -0.398 5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.163 -2.113 7.731 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.385 -2.560 6.557 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.535 -1.590 6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.431 -4.893 3.679 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.599 -3.311 4.465 1.00 0.00 H new ATOM 240 N ILE A 19 -12.795 0.554 5.921 1.00 0.00 N ATOM 241 CA ILE A 19 -14.144 1.013 6.227 1.00 0.00 C ATOM 242 C ILE A 19 -15.190 0.034 5.704 1.00 0.00 C ATOM 243 O ILE A 19 -15.235 -0.288 4.517 1.00 0.00 O ATOM 244 CB ILE A 19 -14.414 2.405 5.627 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.460 3.439 6.228 1.00 0.00 C ATOM 246 CG2 ILE A 19 -15.861 2.812 5.863 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.573 3.563 7.731 1.00 0.00 C ATOM 0 H ILE A 19 -12.469 0.795 4.985 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.218 1.074 7.313 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.240 2.360 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.436 3.170 5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.658 4.411 5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.036 3.798 5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.524 2.087 5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.060 2.842 6.934 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.868 4.314 8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.587 3.862 7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.346 2.602 8.193 1.00 0.00 H new ATOM 259 N PRO A 20 -16.053 -0.450 6.609 1.00 0.00 N ATOM 260 CA PRO A 20 -17.116 -1.397 6.262 1.00 0.00 C ATOM 261 C PRO A 20 -18.211 -0.755 5.417 1.00 0.00 C ATOM 262 O PRO A 20 -18.304 0.469 5.331 1.00 0.00 O ATOM 263 CB PRO A 20 -17.671 -1.821 7.624 1.00 0.00 C ATOM 264 CG PRO A 20 -17.357 -0.684 8.533 1.00 0.00 C ATOM 265 CD PRO A 20 -16.057 -0.109 8.042 1.00 0.00 C ATOM 0 HA PRO A 20 -16.743 -2.226 5.661 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.745 -2.003 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.207 -2.744 7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.149 0.065 8.509 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.269 -1.022 9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.010 0.969 8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.203 -0.545 8.561 1.00 0.00 H new ATOM 273 N ALA A 21 -19.038 -1.590 4.796 1.00 0.00 N ATOM 274 CA ALA A 21 -20.128 -1.103 3.960 1.00 0.00 C ATOM 275 C ALA A 21 -21.161 -0.347 4.789 1.00 0.00 C ATOM 276 O ALA A 21 -21.353 -0.633 5.970 1.00 0.00 O ATOM 277 CB ALA A 21 -20.786 -2.261 3.223 1.00 0.00 C ATOM 0 H ALA A 21 -18.974 -2.606 4.856 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.710 -0.411 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.598 -1.883 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.048 -2.757 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.183 -2.974 3.946 1.00 0.00 H new ATOM 283 N GLY A 22 -21.823 0.621 4.162 1.00 0.00 N ATOM 284 CA GLY A 22 -22.827 1.404 4.858 1.00 0.00 C ATOM 285 C GLY A 22 -22.217 2.434 5.789 1.00 0.00 C ATOM 286 O GLY A 22 -22.514 3.625 5.690 1.00 0.00 O ATOM 0 H GLY A 22 -21.682 0.877 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.460 1.908 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.471 0.737 5.431 1.00 0.00 H new ATOM 290 N LYS A 23 -21.362 1.976 6.697 1.00 0.00 N ATOM 291 CA LYS A 23 -20.709 2.865 7.650 1.00 0.00 C ATOM 292 C LYS A 23 -20.358 4.198 6.998 1.00 0.00 C ATOM 293 O LYS A 23 -20.457 5.252 7.627 1.00 0.00 O ATOM 294 CB LYS A 23 -19.443 2.208 8.206 1.00 0.00 C ATOM 295 CG LYS A 23 -18.572 3.154 9.015 1.00 0.00 C ATOM 296 CD LYS A 23 -18.945 3.132 10.488 1.00 0.00 C ATOM 297 CE LYS A 23 -18.510 4.408 11.192 1.00 0.00 C ATOM 298 NZ LYS A 23 -19.383 4.724 12.356 1.00 0.00 N ATOM 0 H LYS A 23 -21.105 0.994 6.793 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.404 3.053 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.728 1.363 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.858 1.807 7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.525 2.875 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.676 4.167 8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.023 3.009 10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.479 2.272 10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.479 4.303 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.532 5.238 10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.054 5.600 12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.363 4.849 12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.343 3.944 13.042 1.00 0.00 H new ATOM 312 N ARG A 24 -19.949 4.145 5.735 1.00 0.00 N ATOM 313 CA ARG A 24 -19.584 5.349 4.998 1.00 0.00 C ATOM 314 C ARG A 24 -19.646 5.106 3.493 1.00 0.00 C ATOM 315 O ARG A 24 -19.277 4.035 3.010 1.00 0.00 O ATOM 316 CB ARG A 24 -18.179 5.808 5.394 1.00 0.00 C ATOM 317 CG ARG A 24 -18.167 6.838 6.512 1.00 0.00 C ATOM 318 CD ARG A 24 -17.000 7.803 6.368 1.00 0.00 C ATOM 319 NE ARG A 24 -17.282 9.097 6.983 1.00 0.00 N ATOM 320 CZ ARG A 24 -18.136 9.980 6.478 1.00 0.00 C ATOM 321 NH1 ARG A 24 -18.789 9.709 5.356 1.00 0.00 N ATOM 322 NH2 ARG A 24 -18.339 11.137 7.095 1.00 0.00 N ATOM 0 H ARG A 24 -19.862 3.281 5.200 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.300 6.131 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -17.597 4.941 5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -17.683 6.228 4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.104 7.395 6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.105 6.331 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.112 7.369 6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.775 7.945 5.311 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.797 9.336 7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -18.636 8.821 4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.444 10.389 4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -17.839 11.349 7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -18.995 11.814 6.706 1.00 0.00 H new ATOM 336 N THR A 25 -20.117 6.107 2.756 1.00 0.00 N ATOM 337 CA THR A 25 -20.229 6.002 1.307 1.00 0.00 C ATOM 338 C THR A 25 -19.710 7.261 0.622 1.00 0.00 C ATOM 339 O THR A 25 -20.441 7.961 -0.079 1.00 0.00 O ATOM 340 CB THR A 25 -21.687 5.759 0.873 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.531 6.794 1.390 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.179 4.405 1.362 1.00 0.00 C ATOM 0 H THR A 25 -20.427 7.000 3.139 1.00 0.00 H new ATOM 0 HA THR A 25 -19.620 5.150 1.004 1.00 0.00 H new ATOM 0 HB THR A 25 -21.725 5.770 -0.216 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.281 7.652 0.987 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.211 4.256 1.043 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.553 3.617 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.127 4.370 2.450 1.00 0.00 H new ATOM 350 N PRO A 26 -18.418 7.557 0.827 1.00 0.00 N ATOM 351 CA PRO A 26 -17.772 8.733 0.236 1.00 0.00 C ATOM 352 C PRO A 26 -17.604 8.605 -1.274 1.00 0.00 C ATOM 353 O PRO A 26 -18.130 7.678 -1.889 1.00 0.00 O ATOM 354 CB PRO A 26 -16.406 8.770 0.925 1.00 0.00 C ATOM 355 CG PRO A 26 -16.145 7.360 1.327 1.00 0.00 C ATOM 356 CD PRO A 26 -17.489 6.767 1.651 1.00 0.00 C ATOM 0 HA PRO A 26 -18.362 9.638 0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.633 9.139 0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.417 9.433 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.659 6.808 0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.481 7.317 2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.531 5.707 1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -17.721 6.853 2.713 1.00 0.00 H new ATOM 364 N MET A 27 -16.868 9.540 -1.864 1.00 0.00 N ATOM 365 CA MET A 27 -16.630 9.530 -3.303 1.00 0.00 C ATOM 366 C MET A 27 -15.185 9.150 -3.612 1.00 0.00 C ATOM 367 O MET A 27 -14.249 9.812 -3.164 1.00 0.00 O ATOM 368 CB MET A 27 -16.949 10.900 -3.904 1.00 0.00 C ATOM 369 CG MET A 27 -18.404 11.062 -4.310 1.00 0.00 C ATOM 370 SD MET A 27 -19.534 10.944 -2.910 1.00 0.00 S ATOM 371 CE MET A 27 -20.659 9.677 -3.488 1.00 0.00 C ATOM 0 H MET A 27 -16.426 10.314 -1.369 1.00 0.00 H new ATOM 0 HA MET A 27 -17.287 8.784 -3.750 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.694 11.674 -3.179 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.317 11.061 -4.777 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.536 12.028 -4.797 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.660 10.297 -5.044 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.682 9.956 -3.236 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.567 9.574 -4.569 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.414 8.728 -3.011 1.00 0.00 H new ATOM 381 N CYS A 28 -15.012 8.079 -4.380 1.00 0.00 N ATOM 382 CA CYS A 28 -13.681 7.610 -4.748 1.00 0.00 C ATOM 383 C CYS A 28 -12.813 8.765 -5.238 1.00 0.00 C ATOM 384 O CYS A 28 -13.314 9.850 -5.531 1.00 0.00 O ATOM 385 CB CYS A 28 -13.779 6.536 -5.833 1.00 0.00 C ATOM 386 SG CYS A 28 -12.249 5.576 -6.070 1.00 0.00 S ATOM 0 H CYS A 28 -15.776 7.520 -4.759 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.216 7.181 -3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.589 5.852 -5.580 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.047 7.011 -6.777 1.00 0.00 H new ATOM 391 N ALA A 29 -11.509 8.523 -5.323 1.00 0.00 N ATOM 392 CA ALA A 29 -10.571 9.542 -5.779 1.00 0.00 C ATOM 393 C ALA A 29 -10.130 9.279 -7.214 1.00 0.00 C ATOM 394 O ALA A 29 -9.933 10.210 -7.995 1.00 0.00 O ATOM 395 CB ALA A 29 -9.364 9.598 -4.855 1.00 0.00 C ATOM 0 H ALA A 29 -11.078 7.630 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.079 10.506 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.672 10.363 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.691 9.842 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.864 8.630 -4.851 1.00 0.00 H new ATOM 401 N HIS A 30 -9.975 8.003 -7.556 1.00 0.00 N ATOM 402 CA HIS A 30 -9.556 7.618 -8.899 1.00 0.00 C ATOM 403 C HIS A 30 -10.724 7.698 -9.877 1.00 0.00 C ATOM 404 O HIS A 30 -10.737 8.537 -10.779 1.00 0.00 O ATOM 405 CB HIS A 30 -8.981 6.201 -8.890 1.00 0.00 C ATOM 406 CG HIS A 30 -8.998 5.539 -10.233 1.00 0.00 C ATOM 407 ND1 HIS A 30 -9.791 4.559 -10.726 1.00 0.00 N flip ATOM 408 CD2 HIS A 30 -8.123 5.868 -11.246 1.00 0.00 C flip ATOM 409 CE1 HIS A 30 -9.385 4.317 -12.016 1.00 0.00 C flip ATOM 410 NE2 HIS A 30 -8.378 5.121 -12.305 1.00 0.00 N flip ATOM 0 H HIS A 30 -10.133 7.220 -6.922 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.783 8.314 -9.225 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.955 6.237 -8.525 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.549 5.592 -8.187 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.350 6.619 -11.184 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.819 3.588 -12.685 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.881 5.159 -13.195 1.00 0.00 H new ATOM 419 N CYS A 31 -11.705 6.821 -9.694 1.00 0.00 N ATOM 420 CA CYS A 31 -12.878 6.791 -10.559 1.00 0.00 C ATOM 421 C CYS A 31 -13.846 7.915 -10.203 1.00 0.00 C ATOM 422 O CYS A 31 -14.574 8.416 -11.058 1.00 0.00 O ATOM 423 CB CYS A 31 -13.585 5.439 -10.448 1.00 0.00 C ATOM 424 SG CYS A 31 -14.427 5.169 -8.855 1.00 0.00 S ATOM 0 H CYS A 31 -11.711 6.120 -8.953 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.544 6.935 -11.587 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.316 5.356 -11.252 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.854 4.645 -10.599 1.00 0.00 H new ATOM 429 N ASN A 32 -13.847 8.307 -8.932 1.00 0.00 N ATOM 430 CA ASN A 32 -14.726 9.371 -8.462 1.00 0.00 C ATOM 431 C ASN A 32 -16.187 8.936 -8.517 1.00 0.00 C ATOM 432 O ASN A 32 -17.038 9.652 -9.045 1.00 0.00 O ATOM 433 CB ASN A 32 -14.526 10.635 -9.302 1.00 0.00 C ATOM 434 CG ASN A 32 -13.063 11.007 -9.447 1.00 0.00 C ATOM 435 OD1 ASN A 32 -12.474 10.656 -10.585 1.00 0.00 O flip ATOM 436 ND2 ASN A 32 -12.470 11.602 -8.548 1.00 0.00 N flip ATOM 0 H ASN A 32 -13.249 7.904 -8.211 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.470 9.587 -7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.959 10.483 -10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.065 11.463 -8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.963 11.852 -7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.486 11.845 -8.660 1.00 0.00 H new ATOM 443 N GLN A 33 -16.469 7.758 -7.970 1.00 0.00 N ATOM 444 CA GLN A 33 -17.827 7.228 -7.957 1.00 0.00 C ATOM 445 C GLN A 33 -18.243 6.830 -6.545 1.00 0.00 C ATOM 446 O GLN A 33 -17.450 6.273 -5.786 1.00 0.00 O ATOM 447 CB GLN A 33 -17.934 6.021 -8.892 1.00 0.00 C ATOM 448 CG GLN A 33 -17.681 6.359 -10.353 1.00 0.00 C ATOM 449 CD GLN A 33 -18.917 6.888 -11.052 1.00 0.00 C ATOM 450 OE1 GLN A 33 -19.081 8.097 -11.220 1.00 0.00 O ATOM 451 NE2 GLN A 33 -19.797 5.982 -11.465 1.00 0.00 N ATOM 0 H GLN A 33 -15.776 7.153 -7.530 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.499 8.011 -8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.220 5.261 -8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.928 5.584 -8.796 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.886 7.102 -10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.328 5.468 -10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -19.621 4.990 -11.305 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -20.648 6.278 -11.942 1.00 0.00 H new ATOM 460 N VAL A 34 -19.493 7.120 -6.198 1.00 0.00 N ATOM 461 CA VAL A 34 -20.016 6.792 -4.877 1.00 0.00 C ATOM 462 C VAL A 34 -19.703 5.347 -4.506 1.00 0.00 C ATOM 463 O VAL A 34 -19.854 4.438 -5.324 1.00 0.00 O ATOM 464 CB VAL A 34 -21.539 7.011 -4.806 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.255 6.115 -5.805 1.00 0.00 C ATOM 466 CG2 VAL A 34 -22.047 6.761 -3.394 1.00 0.00 C ATOM 0 H VAL A 34 -20.163 7.582 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.527 7.460 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.752 8.048 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.330 6.284 -5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.911 6.347 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -22.037 5.071 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -23.125 6.920 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.823 5.735 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.558 7.449 -2.704 1.00 0.00 H new ATOM 476 N ILE A 35 -19.268 5.141 -3.267 1.00 0.00 N ATOM 477 CA ILE A 35 -18.936 3.805 -2.787 1.00 0.00 C ATOM 478 C ILE A 35 -20.019 3.270 -1.857 1.00 0.00 C ATOM 479 O ILE A 35 -20.333 3.883 -0.836 1.00 0.00 O ATOM 480 CB ILE A 35 -17.586 3.793 -2.046 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.489 4.390 -2.929 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.224 2.376 -1.627 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.247 4.790 -2.164 1.00 0.00 C ATOM 0 H ILE A 35 -19.137 5.882 -2.578 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.865 3.163 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.676 4.404 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.216 3.664 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.885 5.265 -3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.267 2.384 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.996 1.984 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.149 1.743 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.513 5.205 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.506 5.539 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.826 3.914 -1.670 1.00 0.00 H new ATOM 495 N ARG A 36 -20.586 2.123 -2.215 1.00 0.00 N ATOM 496 CA ARG A 36 -21.634 1.505 -1.412 1.00 0.00 C ATOM 497 C ARG A 36 -21.038 0.544 -0.387 1.00 0.00 C ATOM 498 O ARG A 36 -21.299 0.657 0.810 1.00 0.00 O ATOM 499 CB ARG A 36 -22.622 0.760 -2.311 1.00 0.00 C ATOM 500 CG ARG A 36 -23.453 1.676 -3.193 1.00 0.00 C ATOM 501 CD ARG A 36 -24.826 1.085 -3.474 1.00 0.00 C ATOM 502 NE ARG A 36 -25.764 2.089 -3.968 1.00 0.00 N ATOM 503 CZ ARG A 36 -25.805 2.499 -5.231 1.00 0.00 C ATOM 504 NH1 ARG A 36 -24.966 1.992 -6.123 1.00 0.00 N ATOM 505 NH2 ARG A 36 -26.688 3.417 -5.603 1.00 0.00 N ATOM 0 H ARG A 36 -20.337 1.603 -3.056 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.163 2.295 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -22.071 0.063 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.290 0.166 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.566 2.646 -2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.931 1.849 -4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.733 0.284 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.221 0.637 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 36 -26.424 2.498 -3.307 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.287 1.285 -5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -24.999 2.308 -7.092 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -27.336 3.808 -4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -26.719 3.731 -6.573 1.00 0.00 H new ATOM 519 N GLY A 37 -20.235 -0.402 -0.866 1.00 0.00 N ATOM 520 CA GLY A 37 -19.615 -1.368 0.021 1.00 0.00 C ATOM 521 C GLY A 37 -18.434 -0.790 0.774 1.00 0.00 C ATOM 522 O GLY A 37 -18.316 0.423 0.950 1.00 0.00 O ATOM 0 H GLY A 37 -20.003 -0.516 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.356 -1.729 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.285 -2.230 -0.559 1.00 0.00 H new ATOM 526 N PRO A 38 -17.533 -1.670 1.236 1.00 0.00 N ATOM 527 CA PRO A 38 -16.339 -1.263 1.983 1.00 0.00 C ATOM 528 C PRO A 38 -15.326 -0.537 1.105 1.00 0.00 C ATOM 529 O PRO A 38 -15.177 -0.849 -0.077 1.00 0.00 O ATOM 530 CB PRO A 38 -15.762 -2.591 2.480 1.00 0.00 C ATOM 531 CG PRO A 38 -16.255 -3.606 1.508 1.00 0.00 C ATOM 532 CD PRO A 38 -17.610 -3.131 1.063 1.00 0.00 C ATOM 0 HA PRO A 38 -16.577 -0.561 2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.673 -2.564 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.100 -2.815 3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.576 -3.696 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.320 -4.591 1.971 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.811 -3.403 0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.407 -3.566 1.667 1.00 0.00 H new ATOM 540 N PHE A 39 -14.629 0.431 1.690 1.00 0.00 N ATOM 541 CA PHE A 39 -13.629 1.202 0.960 1.00 0.00 C ATOM 542 C PHE A 39 -12.402 1.461 1.829 1.00 0.00 C ATOM 543 O PHE A 39 -12.322 0.994 2.966 1.00 0.00 O ATOM 544 CB PHE A 39 -14.223 2.531 0.488 1.00 0.00 C ATOM 545 CG PHE A 39 -14.565 3.468 1.611 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.599 4.297 2.157 1.00 0.00 C ATOM 547 CD2 PHE A 39 -15.853 3.519 2.120 1.00 0.00 C ATOM 548 CE1 PHE A 39 -13.910 5.161 3.191 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.170 4.381 3.153 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.197 5.202 3.690 1.00 0.00 C ATOM 0 H PHE A 39 -14.738 0.701 2.668 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.321 0.620 0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.513 3.020 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.122 2.331 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.591 4.268 1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.617 2.878 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.148 5.803 3.608 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.178 4.413 3.540 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.443 5.875 4.499 1.00 0.00 H new ATOM 560 N LEU A 40 -11.447 2.209 1.286 1.00 0.00 N ATOM 561 CA LEU A 40 -10.223 2.531 2.011 1.00 0.00 C ATOM 562 C LEU A 40 -9.973 4.036 2.016 1.00 0.00 C ATOM 563 O LEU A 40 -9.839 4.657 0.963 1.00 0.00 O ATOM 564 CB LEU A 40 -9.030 1.807 1.383 1.00 0.00 C ATOM 565 CG LEU A 40 -9.348 0.506 0.645 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.302 0.230 -0.424 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.430 -0.656 1.625 1.00 0.00 C ATOM 0 H LEU A 40 -11.497 2.603 0.347 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.342 2.197 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.544 2.488 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.308 1.588 2.170 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.317 0.614 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.544 -0.700 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.290 1.050 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.320 0.142 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.657 -1.574 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.476 -0.765 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.216 -0.462 2.355 1.00 0.00 H new ATOM 579 N VAL A 41 -9.910 4.615 3.211 1.00 0.00 N ATOM 580 CA VAL A 41 -9.673 6.046 3.355 1.00 0.00 C ATOM 581 C VAL A 41 -8.208 6.332 3.665 1.00 0.00 C ATOM 582 O VAL A 41 -7.718 6.013 4.748 1.00 0.00 O ATOM 583 CB VAL A 41 -10.549 6.652 4.468 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.755 5.647 5.591 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.927 7.935 4.997 1.00 0.00 C ATOM 0 H VAL A 41 -10.020 4.115 4.093 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.937 6.507 2.403 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.524 6.896 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.376 6.092 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.248 4.758 5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.789 5.370 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.559 8.349 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.938 7.720 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.837 8.657 4.186 1.00 0.00 H new ATOM 595 N ALA A 42 -7.513 6.937 2.706 1.00 0.00 N ATOM 596 CA ALA A 42 -6.104 7.269 2.878 1.00 0.00 C ATOM 597 C ALA A 42 -5.779 8.622 2.255 1.00 0.00 C ATOM 598 O ALA A 42 -6.395 9.027 1.268 1.00 0.00 O ATOM 599 CB ALA A 42 -5.228 6.182 2.271 1.00 0.00 C ATOM 0 H ALA A 42 -7.903 7.207 1.803 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.899 7.332 3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.178 6.443 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.433 5.232 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.445 6.092 1.207 1.00 0.00 H new ATOM 605 N LEU A 43 -4.809 9.318 2.837 1.00 0.00 N ATOM 606 CA LEU A 43 -4.402 10.628 2.339 1.00 0.00 C ATOM 607 C LEU A 43 -5.559 11.619 2.406 1.00 0.00 C ATOM 608 O LEU A 43 -5.599 12.594 1.657 1.00 0.00 O ATOM 609 CB LEU A 43 -3.896 10.514 0.900 1.00 0.00 C ATOM 610 CG LEU A 43 -2.549 9.814 0.716 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.494 10.444 1.612 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.676 8.326 1.004 1.00 0.00 C ATOM 0 H LEU A 43 -4.289 8.998 3.654 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.595 10.996 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.644 9.979 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.821 11.518 0.482 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.237 9.937 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.542 9.933 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.383 11.498 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.800 10.353 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.707 7.845 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.012 8.182 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.400 7.884 0.320 1.00 0.00 H new ATOM 624 N GLY A 44 -6.499 11.363 3.311 1.00 0.00 N ATOM 625 CA GLY A 44 -7.644 12.243 3.461 1.00 0.00 C ATOM 626 C GLY A 44 -8.801 11.848 2.565 1.00 0.00 C ATOM 627 O GLY A 44 -9.955 12.162 2.854 1.00 0.00 O ATOM 0 H GLY A 44 -6.488 10.562 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.973 12.232 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.344 13.266 3.233 1.00 0.00 H new ATOM 631 N LYS A 45 -8.491 11.158 1.472 1.00 0.00 N ATOM 632 CA LYS A 45 -9.513 10.719 0.529 1.00 0.00 C ATOM 633 C LYS A 45 -9.705 9.207 0.600 1.00 0.00 C ATOM 634 O LYS A 45 -8.985 8.513 1.318 1.00 0.00 O ATOM 635 CB LYS A 45 -9.133 11.130 -0.895 1.00 0.00 C ATOM 636 CG LYS A 45 -9.219 12.626 -1.140 1.00 0.00 C ATOM 637 CD LYS A 45 -8.789 12.986 -2.552 1.00 0.00 C ATOM 638 CE LYS A 45 -9.968 12.983 -3.512 1.00 0.00 C ATOM 639 NZ LYS A 45 -9.564 13.383 -4.888 1.00 0.00 N ATOM 0 H LYS A 45 -7.540 10.891 1.218 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.453 11.200 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.117 10.794 -1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.788 10.617 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.241 12.965 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.588 13.150 -0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.322 13.971 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.036 12.277 -2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.412 11.988 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.736 13.665 -3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.396 13.368 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.164 14.343 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.850 12.718 -5.247 1.00 0.00 H new ATOM 653 N SER A 46 -10.679 8.703 -0.151 1.00 0.00 N ATOM 654 CA SER A 46 -10.966 7.274 -0.172 1.00 0.00 C ATOM 655 C SER A 46 -10.747 6.696 -1.567 1.00 0.00 C ATOM 656 O SER A 46 -10.643 7.434 -2.547 1.00 0.00 O ATOM 657 CB SER A 46 -12.405 7.015 0.280 1.00 0.00 C ATOM 658 OG SER A 46 -12.468 6.795 1.678 1.00 0.00 O ATOM 0 H SER A 46 -11.283 9.263 -0.753 1.00 0.00 H new ATOM 0 HA SER A 46 -10.281 6.781 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.032 7.866 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.804 6.148 -0.246 1.00 0.00 H new ATOM 0 HG SER A 46 -13.235 6.220 1.885 1.00 0.00 H new ATOM 664 N TRP A 47 -10.679 5.372 -1.648 1.00 0.00 N ATOM 665 CA TRP A 47 -10.472 4.694 -2.923 1.00 0.00 C ATOM 666 C TRP A 47 -11.165 3.336 -2.936 1.00 0.00 C ATOM 667 O TRP A 47 -11.574 2.827 -1.891 1.00 0.00 O ATOM 668 CB TRP A 47 -8.977 4.520 -3.195 1.00 0.00 C ATOM 669 CG TRP A 47 -8.147 5.670 -2.710 1.00 0.00 C ATOM 670 CD1 TRP A 47 -7.906 6.016 -1.411 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.451 6.626 -3.517 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.102 7.129 -1.362 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.808 7.522 -2.641 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.307 6.810 -4.895 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -6.036 8.585 -3.100 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.540 7.866 -5.349 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.912 8.742 -4.454 1.00 0.00 C ATOM 0 H TRP A 47 -10.764 4.747 -0.847 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.908 5.311 -3.709 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.632 3.604 -2.715 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.822 4.396 -4.267 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.291 5.492 -0.549 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.777 7.588 -0.511 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.786 6.139 -5.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.552 9.262 -2.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.423 8.019 -6.412 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.318 9.557 -4.840 1.00 0.00 H new ATOM 688 N HIS A 48 -11.294 2.753 -4.123 1.00 0.00 N ATOM 689 CA HIS A 48 -11.938 1.453 -4.271 1.00 0.00 C ATOM 690 C HIS A 48 -10.946 0.323 -4.012 1.00 0.00 C ATOM 691 O HIS A 48 -9.816 0.332 -4.502 1.00 0.00 O ATOM 692 CB HIS A 48 -12.535 1.312 -5.671 1.00 0.00 C ATOM 693 CG HIS A 48 -13.926 1.856 -5.787 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.220 3.037 -6.435 1.00 0.00 N ATOM 695 CD2 HIS A 48 -15.106 1.373 -5.334 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.521 3.257 -6.375 1.00 0.00 C ATOM 697 NE2 HIS A 48 -16.082 2.262 -5.712 1.00 0.00 N ATOM 0 H HIS A 48 -10.961 3.160 -4.997 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.739 1.386 -3.535 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.892 1.827 -6.385 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.541 0.258 -5.950 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -15.253 0.459 -4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.038 4.106 -6.796 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -17.078 2.169 -5.513 1.00 0.00 H new ATOM 705 N PRO A 49 -11.375 -0.673 -3.223 1.00 0.00 N ATOM 706 CA PRO A 49 -10.539 -1.828 -2.881 1.00 0.00 C ATOM 707 C PRO A 49 -10.301 -2.745 -4.076 1.00 0.00 C ATOM 708 O PRO A 49 -9.637 -3.774 -3.956 1.00 0.00 O ATOM 709 CB PRO A 49 -11.355 -2.551 -1.806 1.00 0.00 C ATOM 710 CG PRO A 49 -12.767 -2.154 -2.072 1.00 0.00 C ATOM 711 CD PRO A 49 -12.709 -0.749 -2.604 1.00 0.00 C ATOM 0 HA PRO A 49 -9.545 -1.528 -2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.228 -3.632 -1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.042 -2.254 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.232 -2.826 -2.794 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.364 -2.202 -1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.500 -0.561 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.825 -0.013 -1.808 1.00 0.00 H new ATOM 719 N GLU A 50 -10.847 -2.365 -5.227 1.00 0.00 N ATOM 720 CA GLU A 50 -10.693 -3.155 -6.443 1.00 0.00 C ATOM 721 C GLU A 50 -9.711 -2.490 -7.403 1.00 0.00 C ATOM 722 O GLU A 50 -9.015 -3.165 -8.160 1.00 0.00 O ATOM 723 CB GLU A 50 -12.047 -3.342 -7.130 1.00 0.00 C ATOM 724 CG GLU A 50 -13.053 -4.115 -6.293 1.00 0.00 C ATOM 725 CD GLU A 50 -14.103 -4.810 -7.138 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.968 -4.111 -7.705 1.00 0.00 O ATOM 727 OE2 GLU A 50 -14.058 -6.055 -7.232 1.00 0.00 O ATOM 0 H GLU A 50 -11.400 -1.515 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.297 -4.131 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.462 -2.363 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.896 -3.864 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.527 -4.856 -5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.544 -3.432 -5.599 1.00 0.00 H new ATOM 734 N GLU A 51 -9.661 -1.162 -7.364 1.00 0.00 N ATOM 735 CA GLU A 51 -8.765 -0.406 -8.231 1.00 0.00 C ATOM 736 C GLU A 51 -7.470 -0.056 -7.503 1.00 0.00 C ATOM 737 O GLU A 51 -6.384 -0.120 -8.079 1.00 0.00 O ATOM 738 CB GLU A 51 -9.450 0.872 -8.719 1.00 0.00 C ATOM 739 CG GLU A 51 -10.786 0.625 -9.399 1.00 0.00 C ATOM 740 CD GLU A 51 -11.634 1.879 -9.492 1.00 0.00 C ATOM 741 OE1 GLU A 51 -11.507 2.747 -8.604 1.00 0.00 O ATOM 742 OE2 GLU A 51 -12.424 1.991 -10.453 1.00 0.00 O ATOM 0 H GLU A 51 -10.230 -0.588 -6.742 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.521 -1.030 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.602 1.540 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.787 1.386 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.612 0.233 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.334 -0.140 -8.848 1.00 0.00 H new ATOM 749 N PHE A 52 -7.594 0.315 -6.233 1.00 0.00 N ATOM 750 CA PHE A 52 -6.435 0.677 -5.426 1.00 0.00 C ATOM 751 C PHE A 52 -5.271 -0.275 -5.687 1.00 0.00 C ATOM 752 O PHE A 52 -5.281 -1.421 -5.239 1.00 0.00 O ATOM 753 CB PHE A 52 -6.797 0.662 -3.940 1.00 0.00 C ATOM 754 CG PHE A 52 -5.940 1.570 -3.105 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.722 2.884 -3.487 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.352 1.110 -1.937 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.933 3.721 -2.720 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.562 1.942 -1.167 1.00 0.00 C ATOM 759 CZ PHE A 52 -4.353 3.250 -1.559 1.00 0.00 C ATOM 0 H PHE A 52 -8.485 0.373 -5.741 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.128 1.684 -5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.841 0.954 -3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.708 -0.357 -3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.173 3.258 -4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.513 0.089 -1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.770 4.743 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.109 1.570 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.737 3.903 -0.958 1.00 0.00 H new ATOM 769 N ASN A 53 -4.271 0.209 -6.416 1.00 0.00 N ATOM 770 CA ASN A 53 -3.100 -0.599 -6.739 1.00 0.00 C ATOM 771 C ASN A 53 -1.829 0.243 -6.694 1.00 0.00 C ATOM 772 O ASN A 53 -1.877 1.467 -6.826 1.00 0.00 O ATOM 773 CB ASN A 53 -3.257 -1.232 -8.123 1.00 0.00 C ATOM 774 CG ASN A 53 -3.995 -2.556 -8.073 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.552 -3.502 -7.421 1.00 0.00 O ATOM 776 ND2 ASN A 53 -5.127 -2.629 -8.762 1.00 0.00 N ATOM 0 H ASN A 53 -4.248 1.156 -6.794 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.018 -1.389 -5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.795 -0.544 -8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.272 -1.385 -8.564 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.667 -3.494 -8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.457 -1.820 -9.288 1.00 0.00 H new ATOM 783 N CYS A 54 -0.693 -0.420 -6.508 1.00 0.00 N ATOM 784 CA CYS A 54 0.592 0.266 -6.446 1.00 0.00 C ATOM 785 C CYS A 54 0.858 1.042 -7.733 1.00 0.00 C ATOM 786 O CYS A 54 0.056 1.008 -8.666 1.00 0.00 O ATOM 787 CB CYS A 54 1.719 -0.739 -6.201 1.00 0.00 C ATOM 788 SG CYS A 54 3.163 -0.041 -5.337 1.00 0.00 S ATOM 0 H CYS A 54 -0.636 -1.432 -6.397 1.00 0.00 H new ATOM 0 HA CYS A 54 0.558 0.973 -5.617 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.328 -1.572 -5.617 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.044 -1.145 -7.159 1.00 0.00 H new ATOM 793 N ALA A 55 1.988 1.739 -7.775 1.00 0.00 N ATOM 794 CA ALA A 55 2.361 2.521 -8.947 1.00 0.00 C ATOM 795 C ALA A 55 3.399 1.786 -9.789 1.00 0.00 C ATOM 796 O ALA A 55 3.503 2.007 -10.996 1.00 0.00 O ATOM 797 CB ALA A 55 2.889 3.884 -8.527 1.00 0.00 C ATOM 0 H ALA A 55 2.662 1.778 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 55 1.469 2.662 -9.558 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.164 4.457 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.117 4.419 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.766 3.755 -7.892 1.00 0.00 H new ATOM 803 N HIS A 56 4.167 0.913 -9.145 1.00 0.00 N ATOM 804 CA HIS A 56 5.198 0.146 -9.835 1.00 0.00 C ATOM 805 C HIS A 56 4.775 -1.311 -9.995 1.00 0.00 C ATOM 806 O HIS A 56 4.650 -1.813 -11.112 1.00 0.00 O ATOM 807 CB HIS A 56 6.520 0.225 -9.071 1.00 0.00 C ATOM 808 CG HIS A 56 7.621 -0.574 -9.695 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.633 -0.007 -10.441 1.00 0.00 N ATOM 810 CD2 HIS A 56 7.868 -1.905 -9.680 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.453 -0.955 -10.859 1.00 0.00 C ATOM 812 NE2 HIS A 56 9.011 -2.116 -10.411 1.00 0.00 N ATOM 0 H HIS A 56 4.095 0.719 -8.146 1.00 0.00 H new ATOM 0 HA HIS A 56 5.335 0.577 -10.827 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.831 1.268 -9.006 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.362 -0.125 -8.051 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.276 -2.661 -9.185 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.335 -0.806 -11.464 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.448 -3.022 -10.580 1.00 0.00 H new ATOM 821 N CYS A 57 4.558 -1.986 -8.871 1.00 0.00 N ATOM 822 CA CYS A 57 4.151 -3.386 -8.885 1.00 0.00 C ATOM 823 C CYS A 57 2.659 -3.515 -9.179 1.00 0.00 C ATOM 824 O CYS A 57 2.129 -4.622 -9.285 1.00 0.00 O ATOM 825 CB CYS A 57 4.477 -4.047 -7.545 1.00 0.00 C ATOM 826 SG CYS A 57 3.473 -3.440 -6.152 1.00 0.00 S ATOM 0 H CYS A 57 4.657 -1.586 -7.938 1.00 0.00 H new ATOM 0 HA CYS A 57 4.705 -3.892 -9.676 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.335 -5.124 -7.639 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.530 -3.883 -7.318 1.00 0.00 H new ATOM 831 N LYS A 58 1.987 -2.377 -9.311 1.00 0.00 N ATOM 832 CA LYS A 58 0.556 -2.361 -9.594 1.00 0.00 C ATOM 833 C LYS A 58 -0.155 -3.496 -8.864 1.00 0.00 C ATOM 834 O LYS A 58 -0.954 -4.221 -9.455 1.00 0.00 O ATOM 835 CB LYS A 58 0.313 -2.477 -11.100 1.00 0.00 C ATOM 836 CG LYS A 58 0.983 -1.382 -11.911 1.00 0.00 C ATOM 837 CD LYS A 58 0.137 -0.120 -11.951 1.00 0.00 C ATOM 838 CE LYS A 58 0.400 0.688 -13.213 1.00 0.00 C ATOM 839 NZ LYS A 58 1.499 1.674 -13.020 1.00 0.00 N ATOM 0 H LYS A 58 2.410 -1.453 -9.227 1.00 0.00 H new ATOM 0 HA LYS A 58 0.150 -1.414 -9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.675 -3.446 -11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.760 -2.452 -11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.958 -1.154 -11.480 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.158 -1.736 -12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.919 -0.387 -11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.352 0.492 -11.075 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.657 0.013 -14.030 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.510 1.211 -13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.098 2.631 -12.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.017 1.450 -12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.150 1.631 -13.830 1.00 0.00 H new ATOM 853 N ASN A 59 0.139 -3.642 -7.576 1.00 0.00 N ATOM 854 CA ASN A 59 -0.474 -4.688 -6.766 1.00 0.00 C ATOM 855 C ASN A 59 -1.498 -4.098 -5.801 1.00 0.00 C ATOM 856 O ASN A 59 -1.489 -2.898 -5.524 1.00 0.00 O ATOM 857 CB ASN A 59 0.598 -5.452 -5.986 1.00 0.00 C ATOM 858 CG ASN A 59 1.384 -6.405 -6.865 1.00 0.00 C ATOM 859 OD1 ASN A 59 2.615 -6.407 -6.852 1.00 0.00 O ATOM 860 ND2 ASN A 59 0.674 -7.221 -7.635 1.00 0.00 N ATOM 0 H ASN A 59 0.798 -3.049 -7.071 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.987 -5.378 -7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.282 -4.741 -5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.126 -6.012 -5.179 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.148 -7.884 -8.248 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.345 -7.185 -7.613 1.00 0.00 H new ATOM 867 N THR A 60 -2.381 -4.951 -5.289 1.00 0.00 N ATOM 868 CA THR A 60 -3.411 -4.515 -4.356 1.00 0.00 C ATOM 869 C THR A 60 -2.795 -3.902 -3.103 1.00 0.00 C ATOM 870 O THR A 60 -2.027 -4.552 -2.396 1.00 0.00 O ATOM 871 CB THR A 60 -4.327 -5.684 -3.944 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.118 -5.311 -2.811 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.507 -6.922 -3.611 1.00 0.00 C ATOM 0 H THR A 60 -2.402 -5.948 -5.506 1.00 0.00 H new ATOM 0 HA THR A 60 -4.005 -3.761 -4.872 1.00 0.00 H new ATOM 0 HB THR A 60 -4.983 -5.916 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.698 -6.059 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.175 -7.734 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.928 -7.221 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.830 -6.699 -2.786 1.00 0.00 H new ATOM 881 N MET A 61 -3.139 -2.647 -2.835 1.00 0.00 N ATOM 882 CA MET A 61 -2.620 -1.946 -1.665 1.00 0.00 C ATOM 883 C MET A 61 -3.703 -1.788 -0.602 1.00 0.00 C ATOM 884 O MET A 61 -3.800 -0.747 0.047 1.00 0.00 O ATOM 885 CB MET A 61 -2.077 -0.573 -2.066 1.00 0.00 C ATOM 886 CG MET A 61 -0.842 -0.642 -2.949 1.00 0.00 C ATOM 887 SD MET A 61 0.236 0.789 -2.749 1.00 0.00 S ATOM 888 CE MET A 61 -0.833 2.102 -3.333 1.00 0.00 C ATOM 0 H MET A 61 -3.774 -2.094 -3.411 1.00 0.00 H new ATOM 0 HA MET A 61 -1.808 -2.541 -1.246 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.858 -0.022 -2.590 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.838 -0.009 -1.165 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.283 -1.548 -2.715 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.150 -0.717 -3.992 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.347 2.629 -4.154 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.774 1.677 -3.682 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.030 2.800 -2.519 1.00 0.00 H new ATOM 898 N ALA A 62 -4.514 -2.826 -0.431 1.00 0.00 N ATOM 899 CA ALA A 62 -5.588 -2.802 0.554 1.00 0.00 C ATOM 900 C ALA A 62 -5.086 -3.243 1.925 1.00 0.00 C ATOM 901 O ALA A 62 -5.293 -2.554 2.924 1.00 0.00 O ATOM 902 CB ALA A 62 -6.740 -3.687 0.102 1.00 0.00 C ATOM 0 H ALA A 62 -4.448 -3.694 -0.962 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.945 -1.776 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.535 -3.659 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.124 -3.325 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.388 -4.712 -0.014 1.00 0.00 H new ATOM 908 N TYR A 63 -4.427 -4.396 1.965 1.00 0.00 N ATOM 909 CA TYR A 63 -3.898 -4.931 3.214 1.00 0.00 C ATOM 910 C TYR A 63 -2.518 -4.354 3.512 1.00 0.00 C ATOM 911 O TYR A 63 -2.333 -3.635 4.495 1.00 0.00 O ATOM 912 CB TYR A 63 -3.822 -6.457 3.147 1.00 0.00 C ATOM 913 CG TYR A 63 -5.105 -7.108 2.681 1.00 0.00 C ATOM 914 CD1 TYR A 63 -6.256 -7.053 3.457 1.00 0.00 C ATOM 915 CD2 TYR A 63 -5.165 -7.779 1.466 1.00 0.00 C ATOM 916 CE1 TYR A 63 -7.430 -7.646 3.036 1.00 0.00 C ATOM 917 CE2 TYR A 63 -6.335 -8.374 1.036 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.465 -8.305 1.825 1.00 0.00 C ATOM 919 OH TYR A 63 -8.632 -8.898 1.400 1.00 0.00 O ATOM 0 H TYR A 63 -4.247 -4.978 1.147 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.574 -4.643 4.019 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.014 -6.743 2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.566 -6.843 4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.232 -6.538 4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.282 -7.836 0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.316 -7.594 3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.365 -8.890 0.088 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.486 -9.318 0.527 1.00 0.00 H new ATOM 929 N ILE A 64 -1.553 -4.674 2.657 1.00 0.00 N ATOM 930 CA ILE A 64 -0.189 -4.187 2.828 1.00 0.00 C ATOM 931 C ILE A 64 -0.168 -2.677 3.044 1.00 0.00 C ATOM 932 O ILE A 64 -1.184 -2.002 2.884 1.00 0.00 O ATOM 933 CB ILE A 64 0.688 -4.532 1.610 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.113 -3.895 0.343 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.799 -6.040 1.447 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.056 -3.944 -0.839 1.00 0.00 C ATOM 0 H ILE A 64 -1.690 -5.268 1.839 1.00 0.00 H new ATOM 0 HA ILE A 64 0.216 -4.684 3.710 1.00 0.00 H new ATOM 0 HB ILE A 64 1.687 -4.130 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.814 -4.403 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.141 -2.856 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.422 -6.268 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.249 -6.471 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.194 -6.464 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.583 -3.475 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.974 -3.411 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.291 -4.982 -1.074 1.00 0.00 H new ATOM 948 N GLY A 65 0.998 -2.153 3.408 1.00 0.00 N ATOM 949 CA GLY A 65 1.131 -0.727 3.639 1.00 0.00 C ATOM 950 C GLY A 65 1.452 0.039 2.371 1.00 0.00 C ATOM 951 O GLY A 65 1.338 -0.497 1.268 1.00 0.00 O ATOM 0 H GLY A 65 1.853 -2.691 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.205 -0.344 4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.917 -0.553 4.374 1.00 0.00 H new ATOM 955 N PHE A 66 1.853 1.296 2.526 1.00 0.00 N ATOM 956 CA PHE A 66 2.190 2.138 1.383 1.00 0.00 C ATOM 957 C PHE A 66 2.874 3.423 1.837 1.00 0.00 C ATOM 958 O PHE A 66 2.740 3.838 2.989 1.00 0.00 O ATOM 959 CB PHE A 66 0.930 2.473 0.582 1.00 0.00 C ATOM 960 CG PHE A 66 -0.025 3.371 1.315 1.00 0.00 C ATOM 961 CD1 PHE A 66 0.293 4.699 1.549 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.242 2.887 1.769 1.00 0.00 C ATOM 963 CE1 PHE A 66 -0.584 5.527 2.224 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.123 3.710 2.444 1.00 0.00 C ATOM 965 CZ PHE A 66 -1.794 5.033 2.671 1.00 0.00 C ATOM 0 H PHE A 66 1.953 1.755 3.432 1.00 0.00 H new ATOM 0 HA PHE A 66 2.881 1.585 0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.220 2.951 -0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.418 1.547 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.237 5.092 1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.505 1.854 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.323 6.560 2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.067 3.320 2.794 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.481 5.679 3.197 1.00 0.00 H new ATOM 975 N VAL A 67 3.610 4.049 0.924 1.00 0.00 N ATOM 976 CA VAL A 67 4.316 5.288 1.230 1.00 0.00 C ATOM 977 C VAL A 67 4.132 6.314 0.117 1.00 0.00 C ATOM 978 O VAL A 67 4.378 6.024 -1.054 1.00 0.00 O ATOM 979 CB VAL A 67 5.821 5.039 1.439 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.559 6.355 1.630 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.048 4.115 2.627 1.00 0.00 C ATOM 0 H VAL A 67 3.733 3.719 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 67 3.888 5.677 2.154 1.00 0.00 H new ATOM 0 HB VAL A 67 6.218 4.553 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.621 6.159 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.424 6.980 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.162 6.871 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.117 3.950 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.636 4.572 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.553 3.161 2.446 1.00 0.00 H new ATOM 991 N GLU A 68 3.699 7.513 0.491 1.00 0.00 N ATOM 992 CA GLU A 68 3.482 8.583 -0.476 1.00 0.00 C ATOM 993 C GLU A 68 4.767 9.370 -0.714 1.00 0.00 C ATOM 994 O GLU A 68 5.430 9.795 0.231 1.00 0.00 O ATOM 995 CB GLU A 68 2.377 9.523 0.009 1.00 0.00 C ATOM 996 CG GLU A 68 2.305 10.828 -0.766 1.00 0.00 C ATOM 997 CD GLU A 68 1.106 11.672 -0.378 1.00 0.00 C ATOM 998 OE1 GLU A 68 1.208 12.427 0.611 1.00 0.00 O ATOM 999 OE2 GLU A 68 0.066 11.576 -1.062 1.00 0.00 O ATOM 0 H GLU A 68 3.491 7.768 1.456 1.00 0.00 H new ATOM 0 HA GLU A 68 3.175 8.129 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.417 9.012 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.537 9.745 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.217 11.399 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.261 10.610 -1.833 1.00 0.00 H new ATOM 1006 N GLU A 69 5.112 9.560 -1.984 1.00 0.00 N ATOM 1007 CA GLU A 69 6.318 10.295 -2.346 1.00 0.00 C ATOM 1008 C GLU A 69 6.169 10.941 -3.720 1.00 0.00 C ATOM 1009 O GLU A 69 5.886 10.265 -4.710 1.00 0.00 O ATOM 1010 CB GLU A 69 7.532 9.363 -2.337 1.00 0.00 C ATOM 1011 CG GLU A 69 8.856 10.088 -2.507 1.00 0.00 C ATOM 1012 CD GLU A 69 9.239 10.897 -1.283 1.00 0.00 C ATOM 1013 OE1 GLU A 69 8.882 10.483 -0.161 1.00 0.00 O ATOM 1014 OE2 GLU A 69 9.898 11.946 -1.449 1.00 0.00 O ATOM 0 H GLU A 69 4.573 9.215 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 69 6.468 11.083 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.548 8.810 -1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.423 8.630 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.640 9.361 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.795 10.750 -3.371 1.00 0.00 H new ATOM 1021 N LYS A 70 6.362 12.254 -3.774 1.00 0.00 N ATOM 1022 CA LYS A 70 6.251 12.994 -5.026 1.00 0.00 C ATOM 1023 C LYS A 70 4.970 12.622 -5.765 1.00 0.00 C ATOM 1024 O LYS A 70 4.978 12.425 -6.980 1.00 0.00 O ATOM 1025 CB LYS A 70 7.465 12.717 -5.915 1.00 0.00 C ATOM 1026 CG LYS A 70 8.673 13.576 -5.581 1.00 0.00 C ATOM 1027 CD LYS A 70 9.833 13.298 -6.522 1.00 0.00 C ATOM 1028 CE LYS A 70 11.170 13.603 -5.864 1.00 0.00 C ATOM 1029 NZ LYS A 70 12.312 13.346 -6.784 1.00 0.00 N ATOM 0 H LYS A 70 6.596 12.829 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 70 6.217 14.058 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.740 11.666 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.188 12.884 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.399 14.629 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.983 13.385 -4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.809 12.253 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.724 13.901 -7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.188 14.645 -5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.281 12.993 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.205 13.566 -6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.310 12.346 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.220 13.947 -7.628 1.00 0.00 H new ATOM 1043 N GLY A 71 3.870 12.529 -5.025 1.00 0.00 N ATOM 1044 CA GLY A 71 2.596 12.183 -5.628 1.00 0.00 C ATOM 1045 C GLY A 71 2.588 10.778 -6.197 1.00 0.00 C ATOM 1046 O GLY A 71 2.232 10.572 -7.357 1.00 0.00 O ATOM 0 H GLY A 71 3.838 12.687 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.807 12.274 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.368 12.895 -6.421 1.00 0.00 H new ATOM 1050 N ALA A 72 2.982 9.808 -5.378 1.00 0.00 N ATOM 1051 CA ALA A 72 3.017 8.415 -5.806 1.00 0.00 C ATOM 1052 C ALA A 72 3.016 7.472 -4.607 1.00 0.00 C ATOM 1053 O ALA A 72 3.748 7.682 -3.639 1.00 0.00 O ATOM 1054 CB ALA A 72 4.238 8.161 -6.678 1.00 0.00 C ATOM 0 H ALA A 72 3.281 9.961 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 72 2.119 8.218 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.251 7.117 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.196 8.803 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.142 8.382 -6.111 1.00 0.00 H new ATOM 1060 N LEU A 73 2.191 6.434 -4.678 1.00 0.00 N ATOM 1061 CA LEU A 73 2.094 5.458 -3.597 1.00 0.00 C ATOM 1062 C LEU A 73 2.963 4.238 -3.886 1.00 0.00 C ATOM 1063 O LEU A 73 2.991 3.735 -5.009 1.00 0.00 O ATOM 1064 CB LEU A 73 0.640 5.028 -3.401 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.320 6.111 -2.906 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.720 5.544 -2.730 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.182 6.713 -1.602 1.00 0.00 C ATOM 0 H LEU A 73 1.579 6.246 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 73 2.453 5.929 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.265 4.644 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.619 4.201 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.363 6.902 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.389 6.329 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.081 5.162 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.695 4.734 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.513 7.482 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.255 5.932 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.165 7.157 -1.761 1.00 0.00 H new ATOM 1079 N TYR A 74 3.669 3.766 -2.865 1.00 0.00 N ATOM 1080 CA TYR A 74 4.539 2.605 -3.008 1.00 0.00 C ATOM 1081 C TYR A 74 4.433 1.691 -1.792 1.00 0.00 C ATOM 1082 O TYR A 74 4.678 2.112 -0.661 1.00 0.00 O ATOM 1083 CB TYR A 74 5.990 3.049 -3.202 1.00 0.00 C ATOM 1084 CG TYR A 74 6.187 3.978 -4.379 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.202 3.488 -5.679 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.360 5.343 -4.191 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.383 4.332 -6.758 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.540 6.195 -5.263 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.551 5.685 -6.545 1.00 0.00 C ATOM 1090 OH TYR A 74 6.731 6.530 -7.616 1.00 0.00 O ATOM 0 H TYR A 74 3.656 4.170 -1.928 1.00 0.00 H new ATOM 0 HA TYR A 74 4.216 2.048 -3.887 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.333 3.547 -2.295 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.616 2.167 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.070 2.430 -5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.354 5.745 -3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.393 3.935 -7.762 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.671 7.254 -5.099 1.00 0.00 H new ATOM 0 HH TYR A 74 6.833 7.450 -7.293 1.00 0.00 H new ATOM 1100 N CYS A 75 4.067 0.437 -2.032 1.00 0.00 N ATOM 1101 CA CYS A 75 3.927 -0.539 -0.959 1.00 0.00 C ATOM 1102 C CYS A 75 5.240 -0.700 -0.196 1.00 0.00 C ATOM 1103 O CYS A 75 6.315 -0.424 -0.728 1.00 0.00 O ATOM 1104 CB CYS A 75 3.484 -1.890 -1.523 1.00 0.00 C ATOM 1105 SG CYS A 75 4.671 -2.636 -2.687 1.00 0.00 S ATOM 0 H CYS A 75 3.862 0.072 -2.962 1.00 0.00 H new ATOM 0 HA CYS A 75 3.167 -0.175 -0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.320 -2.581 -0.696 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.526 -1.764 -2.028 1.00 0.00 H new ATOM 1110 N GLU A 76 5.142 -1.149 1.051 1.00 0.00 N ATOM 1111 CA GLU A 76 6.321 -1.346 1.886 1.00 0.00 C ATOM 1112 C GLU A 76 7.433 -2.039 1.103 1.00 0.00 C ATOM 1113 O GLU A 76 8.613 -1.728 1.271 1.00 0.00 O ATOM 1114 CB GLU A 76 5.965 -2.171 3.124 1.00 0.00 C ATOM 1115 CG GLU A 76 5.427 -3.554 2.800 1.00 0.00 C ATOM 1116 CD GLU A 76 5.323 -4.442 4.025 1.00 0.00 C ATOM 1117 OE1 GLU A 76 4.490 -4.142 4.907 1.00 0.00 O ATOM 1118 OE2 GLU A 76 6.074 -5.436 4.102 1.00 0.00 O ATOM 0 H GLU A 76 4.259 -1.383 1.505 1.00 0.00 H new ATOM 0 HA GLU A 76 6.678 -0.366 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.852 -2.273 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.222 -1.630 3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.443 -3.458 2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.077 -4.030 2.065 1.00 0.00 H new ATOM 1125 N LEU A 77 7.048 -2.980 0.248 1.00 0.00 N ATOM 1126 CA LEU A 77 8.011 -3.718 -0.562 1.00 0.00 C ATOM 1127 C LEU A 77 8.792 -2.776 -1.472 1.00 0.00 C ATOM 1128 O LEU A 77 10.016 -2.676 -1.376 1.00 0.00 O ATOM 1129 CB LEU A 77 7.295 -4.778 -1.400 1.00 0.00 C ATOM 1130 CG LEU A 77 6.597 -5.893 -0.620 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.426 -6.449 -1.415 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.582 -6.999 -0.273 1.00 0.00 C ATOM 0 H LEU A 77 6.076 -3.250 0.098 1.00 0.00 H new ATOM 0 HA LEU A 77 8.714 -4.209 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.553 -4.279 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.022 -5.233 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 77 6.211 -5.473 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.942 -7.241 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.708 -5.652 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.787 -6.853 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.067 -7.784 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.998 -7.416 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.387 -6.591 0.338 1.00 0.00 H new ATOM 1144 N CYS A 78 8.078 -2.086 -2.354 1.00 0.00 N ATOM 1145 CA CYS A 78 8.703 -1.150 -3.281 1.00 0.00 C ATOM 1146 C CYS A 78 9.534 -0.114 -2.530 1.00 0.00 C ATOM 1147 O CYS A 78 10.686 0.145 -2.879 1.00 0.00 O ATOM 1148 CB CYS A 78 7.638 -0.450 -4.128 1.00 0.00 C ATOM 1149 SG CYS A 78 6.880 -1.513 -5.398 1.00 0.00 S ATOM 0 H CYS A 78 7.065 -2.157 -2.447 1.00 0.00 H new ATOM 0 HA CYS A 78 9.365 -1.715 -3.937 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.855 -0.074 -3.470 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.088 0.415 -4.615 1.00 0.00 H new ATOM 1154 N TYR A 79 8.942 0.475 -1.497 1.00 0.00 N ATOM 1155 CA TYR A 79 9.626 1.485 -0.698 1.00 0.00 C ATOM 1156 C TYR A 79 10.945 0.946 -0.153 1.00 0.00 C ATOM 1157 O TYR A 79 12.018 1.444 -0.493 1.00 0.00 O ATOM 1158 CB TYR A 79 8.733 1.942 0.457 1.00 0.00 C ATOM 1159 CG TYR A 79 9.460 2.768 1.494 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.178 2.160 2.517 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.430 4.156 1.450 1.00 0.00 C ATOM 1162 CE1 TYR A 79 10.843 2.911 3.467 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.093 4.915 2.395 1.00 0.00 C ATOM 1164 CZ TYR A 79 10.798 4.288 3.401 1.00 0.00 C ATOM 1165 OH TYR A 79 11.460 5.040 4.345 1.00 0.00 O ATOM 0 H TYR A 79 7.990 0.271 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 79 9.841 2.338 -1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.904 2.525 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.301 1.066 0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.217 1.082 2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.879 4.650 0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.395 2.423 4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.059 5.993 2.346 1.00 0.00 H new ATOM 0 HH TYR A 79 11.329 5.992 4.155 1.00 0.00 H new ATOM 1175 N GLU A 80 10.856 -0.075 0.693 1.00 0.00 N ATOM 1176 CA GLU A 80 12.042 -0.682 1.285 1.00 0.00 C ATOM 1177 C GLU A 80 13.082 -1.001 0.215 1.00 0.00 C ATOM 1178 O GLU A 80 14.286 -0.898 0.452 1.00 0.00 O ATOM 1179 CB GLU A 80 11.667 -1.957 2.043 1.00 0.00 C ATOM 1180 CG GLU A 80 12.866 -2.746 2.539 1.00 0.00 C ATOM 1181 CD GLU A 80 12.472 -4.054 3.198 1.00 0.00 C ATOM 1182 OE1 GLU A 80 11.813 -4.010 4.257 1.00 0.00 O ATOM 1183 OE2 GLU A 80 12.824 -5.121 2.654 1.00 0.00 O ATOM 0 H GLU A 80 9.975 -0.499 0.984 1.00 0.00 H new ATOM 0 HA GLU A 80 12.473 0.034 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.040 -1.692 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.068 -2.594 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.532 -2.952 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.426 -2.139 3.250 1.00 0.00 H new ATOM 1190 N LYS A 81 12.609 -1.389 -0.964 1.00 0.00 N ATOM 1191 CA LYS A 81 13.495 -1.723 -2.073 1.00 0.00 C ATOM 1192 C LYS A 81 14.301 -0.504 -2.512 1.00 0.00 C ATOM 1193 O LYS A 81 15.519 -0.579 -2.674 1.00 0.00 O ATOM 1194 CB LYS A 81 12.686 -2.265 -3.254 1.00 0.00 C ATOM 1195 CG LYS A 81 12.537 -3.776 -3.246 1.00 0.00 C ATOM 1196 CD LYS A 81 11.922 -4.282 -4.541 1.00 0.00 C ATOM 1197 CE LYS A 81 11.520 -5.745 -4.432 1.00 0.00 C ATOM 1198 NZ LYS A 81 12.680 -6.656 -4.637 1.00 0.00 N ATOM 0 H LYS A 81 11.616 -1.480 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 81 14.189 -2.492 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.695 -1.810 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.167 -1.961 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.513 -4.238 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.914 -4.077 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.047 -3.681 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.635 -4.159 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.083 -5.929 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.750 -5.966 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.365 -7.644 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.082 -6.498 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.405 -6.463 -3.916 1.00 0.00 H new ATOM 1212 N PHE A 82 13.613 0.617 -2.701 1.00 0.00 N ATOM 1213 CA PHE A 82 14.266 1.852 -3.120 1.00 0.00 C ATOM 1214 C PHE A 82 14.715 2.667 -1.911 1.00 0.00 C ATOM 1215 O PHE A 82 15.906 2.922 -1.727 1.00 0.00 O ATOM 1216 CB PHE A 82 13.319 2.685 -3.987 1.00 0.00 C ATOM 1217 CG PHE A 82 12.734 1.920 -5.140 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.529 1.529 -6.204 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.388 1.593 -5.158 1.00 0.00 C ATOM 1220 CE1 PHE A 82 12.993 0.826 -7.266 1.00 0.00 C ATOM 1221 CE2 PHE A 82 10.845 0.889 -6.217 1.00 0.00 C ATOM 1222 CZ PHE A 82 11.649 0.505 -7.272 1.00 0.00 C ATOM 0 H PHE A 82 12.604 0.696 -2.571 1.00 0.00 H new ATOM 0 HA PHE A 82 15.147 1.588 -3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.509 3.065 -3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.858 3.551 -4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.580 1.776 -6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.755 1.891 -4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.624 0.528 -8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.794 0.640 -6.219 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.228 -0.045 -8.100 1.00 0.00 H new ATOM 1232 N PHE A 83 13.754 3.075 -1.089 1.00 0.00 N ATOM 1233 CA PHE A 83 14.049 3.862 0.102 1.00 0.00 C ATOM 1234 C PHE A 83 15.085 3.160 0.976 1.00 0.00 C ATOM 1235 O PHE A 83 16.205 3.643 1.140 1.00 0.00 O ATOM 1236 CB PHE A 83 12.771 4.110 0.906 1.00 0.00 C ATOM 1237 CG PHE A 83 12.004 5.319 0.454 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.176 5.257 -0.655 1.00 0.00 C ATOM 1239 CD2 PHE A 83 12.111 6.519 1.139 1.00 0.00 C ATOM 1240 CE1 PHE A 83 10.468 6.368 -1.073 1.00 0.00 C ATOM 1241 CE2 PHE A 83 11.405 7.634 0.726 1.00 0.00 C ATOM 1242 CZ PHE A 83 10.584 7.558 -0.382 1.00 0.00 C ATOM 0 H PHE A 83 12.764 2.873 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 83 14.459 4.819 -0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.128 3.233 0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.030 4.226 1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.083 4.329 -1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.753 6.584 2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.825 6.306 -1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.495 8.563 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.033 8.428 -0.708 1.00 0.00 H new ATOM 1252 N ALA A 84 14.701 2.017 1.535 1.00 0.00 N ATOM 1253 CA ALA A 84 15.595 1.247 2.390 1.00 0.00 C ATOM 1254 C ALA A 84 16.638 0.502 1.565 1.00 0.00 C ATOM 1255 O ALA A 84 16.842 -0.699 1.742 1.00 0.00 O ATOM 1256 CB ALA A 84 14.799 0.271 3.244 1.00 0.00 C ATOM 0 H ALA A 84 13.777 1.604 1.411 1.00 0.00 H new ATOM 0 HA ALA A 84 16.118 1.943 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.480 -0.297 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.097 0.823 3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.249 -0.413 2.598 1.00 0.00 H new ATOM 1262 N SER A 85 17.295 1.221 0.661 1.00 0.00 N ATOM 1263 CA SER A 85 18.314 0.627 -0.196 1.00 0.00 C ATOM 1264 C SER A 85 19.713 0.928 0.333 1.00 0.00 C ATOM 1265 O SER A 85 19.910 1.873 1.096 1.00 0.00 O ATOM 1266 CB SER A 85 18.175 1.148 -1.628 1.00 0.00 C ATOM 1267 OG SER A 85 19.179 0.606 -2.468 1.00 0.00 O ATOM 0 H SER A 85 17.140 2.217 0.503 1.00 0.00 H new ATOM 0 HA SER A 85 18.169 -0.453 -0.195 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.191 0.889 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.243 2.236 -1.631 1.00 0.00 H new ATOM 0 HG SER A 85 19.067 0.953 -3.378 1.00 0.00 H new ATOM 1273 N GLY A 86 20.683 0.117 -0.078 1.00 0.00 N ATOM 1274 CA GLY A 86 22.051 0.312 0.364 1.00 0.00 C ATOM 1275 C GLY A 86 22.621 1.643 -0.085 1.00 0.00 C ATOM 1276 O GLY A 86 22.292 2.154 -1.156 1.00 0.00 O ATOM 0 H GLY A 86 20.545 -0.672 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 86 22.090 0.252 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 86 22.673 -0.495 -0.023 1.00 0.00 H new ATOM 1280 N PRO A 87 23.497 2.227 0.746 1.00 0.00 N ATOM 1281 CA PRO A 87 24.131 3.515 0.450 1.00 0.00 C ATOM 1282 C PRO A 87 25.134 3.418 -0.695 1.00 0.00 C ATOM 1283 O PRO A 87 25.807 2.400 -0.858 1.00 0.00 O ATOM 1284 CB PRO A 87 24.845 3.867 1.758 1.00 0.00 C ATOM 1285 CG PRO A 87 25.093 2.556 2.419 1.00 0.00 C ATOM 1286 CD PRO A 87 23.935 1.675 2.039 1.00 0.00 C ATOM 0 HA PRO A 87 23.405 4.263 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.778 4.398 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 87 24.230 4.515 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 87 26.037 2.124 2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 87 25.158 2.671 3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 87 24.237 0.631 1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.139 1.714 2.783 1.00 0.00 H new ATOM 1294 N SER A 88 25.228 4.483 -1.484 1.00 0.00 N ATOM 1295 CA SER A 88 26.147 4.516 -2.617 1.00 0.00 C ATOM 1296 C SER A 88 25.913 3.325 -3.541 1.00 0.00 C ATOM 1297 O SER A 88 26.859 2.679 -3.991 1.00 0.00 O ATOM 1298 CB SER A 88 27.596 4.517 -2.125 1.00 0.00 C ATOM 1299 OG SER A 88 28.016 5.826 -1.781 1.00 0.00 O ATOM 0 H SER A 88 24.680 5.334 -1.360 1.00 0.00 H new ATOM 0 HA SER A 88 25.960 5.431 -3.178 1.00 0.00 H new ATOM 0 HB2 SER A 88 27.690 3.862 -1.259 1.00 0.00 H new ATOM 0 HB3 SER A 88 28.247 4.115 -2.901 1.00 0.00 H new ATOM 0 HG SER A 88 28.944 5.800 -1.468 1.00 0.00 H new ATOM 1305 N SER A 89 24.644 3.041 -3.820 1.00 0.00 N ATOM 1306 CA SER A 89 24.284 1.926 -4.688 1.00 0.00 C ATOM 1307 C SER A 89 24.414 2.316 -6.157 1.00 0.00 C ATOM 1308 O SER A 89 23.678 3.169 -6.652 1.00 0.00 O ATOM 1309 CB SER A 89 22.854 1.466 -4.395 1.00 0.00 C ATOM 1310 OG SER A 89 22.478 0.398 -5.247 1.00 0.00 O ATOM 0 H SER A 89 23.849 3.567 -3.458 1.00 0.00 H new ATOM 0 HA SER A 89 24.971 1.104 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.776 1.150 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 89 22.166 2.301 -4.527 1.00 0.00 H new ATOM 0 HG SER A 89 21.561 0.121 -5.039 1.00 0.00 H new ATOM 1316 N GLY A 90 25.358 1.685 -6.849 1.00 0.00 N ATOM 1317 CA GLY A 90 25.569 1.979 -8.254 1.00 0.00 C ATOM 1318 C GLY A 90 26.034 0.767 -9.037 1.00 0.00 C ATOM 1319 O GLY A 90 25.953 -0.347 -8.520 1.00 0.00 O ATOM 0 H GLY A 90 25.980 0.976 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 90 24.641 2.353 -8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 90 26.308 2.774 -8.348 1.00 0.00 H new TER 1323 GLY A 90 HETATM 1324 ZN ZN A 201 -12.833 3.926 -7.635 1.00 0.00 ZN HETATM 1325 ZN ZN A 401 4.593 -1.815 -4.860 1.00 0.00 ZN