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+ -124:sc= 0.0926 (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= -0.366 X(o=-0.37,f=-0.37) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.79 K(o=-0.79,f=-1.4) USER MOD Single : A 18 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.38) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 63:sc= 0.257 USER MOD Single : A 27 MET CE :methyl 143:sc= -1.11 (180deg=-3.12!) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.0124 F(o=-0.63,f=-0.012) USER MOD Single : A 32 ASN : amide:sc= -0.272 K(o=-0.27,f=-0.86) USER MOD Single : A 33 GLN : amide:sc= -0.0298 K(o=-0.03,f=-2.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -68:sc= 0.128 USER MOD Single : A 53 ASN : amide:sc= -1.31 K(o=-1.3,f=-5.4!) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -1 F(o=-2.3!,f=-1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.329 K(o=-0.33,f=-0.89) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -126:sc= -1.1 (180deg=-6.25!) 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 127:sc= 0.342 USER MOD Single : A 81 LYS NZ :NH3+ -122:sc= -0.145 (180deg=-1.18) USER MOD Single : A 85 SER OG : rot 52:sc= 0.566 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 -9.941 12.175 33.349 1.00 0.00 N ATOM 2 CA GLY A 1 -9.199 12.176 32.101 1.00 0.00 C ATOM 3 C GLY A 1 -7.727 11.872 32.302 1.00 0.00 C ATOM 4 O GLY A 1 -7.302 11.528 33.405 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.730 11.500 33.283 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.311 11.896 34.128 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.315 13.128 33.531 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.630 11.438 31.425 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.304 13.149 31.620 1.00 0.00 H new ATOM 8 N SER A 2 -6.948 11.997 31.232 1.00 0.00 N ATOM 9 CA SER A 2 -5.516 11.729 31.294 1.00 0.00 C ATOM 10 C SER A 2 -4.767 12.527 30.232 1.00 0.00 C ATOM 11 O SER A 2 -5.374 13.098 29.326 1.00 0.00 O ATOM 12 CB SER A 2 -5.248 10.234 31.110 1.00 0.00 C ATOM 13 OG SER A 2 -5.434 9.845 29.760 1.00 0.00 O ATOM 0 H SER A 2 -7.284 12.282 30.312 1.00 0.00 H new ATOM 0 HA SER A 2 -5.155 12.037 32.275 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.229 10.003 31.421 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.916 9.660 31.752 1.00 0.00 H new ATOM 0 HG SER A 2 -5.255 8.886 29.668 1.00 0.00 H new ATOM 19 N SER A 3 -3.443 12.561 30.350 1.00 0.00 N ATOM 20 CA SER A 3 -2.610 13.292 29.402 1.00 0.00 C ATOM 21 C SER A 3 -1.829 12.330 28.511 1.00 0.00 C ATOM 22 O SER A 3 -1.523 11.207 28.909 1.00 0.00 O ATOM 23 CB SER A 3 -1.643 14.214 30.147 1.00 0.00 C ATOM 24 OG SER A 3 -0.621 13.471 30.789 1.00 0.00 O ATOM 0 H SER A 3 -2.925 12.091 31.092 1.00 0.00 H new ATOM 0 HA SER A 3 -3.263 13.895 28.771 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.198 14.921 29.447 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.190 14.799 30.886 1.00 0.00 H new ATOM 0 HG SER A 3 -0.016 14.084 31.256 1.00 0.00 H new ATOM 30 N GLY A 4 -1.510 12.781 27.302 1.00 0.00 N ATOM 31 CA GLY A 4 -0.768 11.949 26.372 1.00 0.00 C ATOM 32 C GLY A 4 0.257 12.737 25.580 1.00 0.00 C ATOM 33 O GLY A 4 1.373 12.962 26.047 1.00 0.00 O ATOM 0 H GLY A 4 -1.752 13.707 26.950 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.265 11.154 26.922 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.464 11.469 25.684 1.00 0.00 H new ATOM 37 N SER A 5 -0.122 13.155 24.377 1.00 0.00 N ATOM 38 CA SER A 5 0.774 13.917 23.515 1.00 0.00 C ATOM 39 C SER A 5 2.173 13.308 23.512 1.00 0.00 C ATOM 40 O SER A 5 3.174 14.024 23.566 1.00 0.00 O ATOM 41 CB SER A 5 0.841 15.375 23.976 1.00 0.00 C ATOM 42 OG SER A 5 -0.388 16.040 23.743 1.00 0.00 O ATOM 0 H SER A 5 -1.044 12.979 23.977 1.00 0.00 H new ATOM 0 HA SER A 5 0.379 13.882 22.500 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.083 15.413 25.038 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.643 15.890 23.447 1.00 0.00 H new ATOM 0 HG SER A 5 -0.320 16.969 24.048 1.00 0.00 H new ATOM 48 N SER A 6 2.234 11.982 23.450 1.00 0.00 N ATOM 49 CA SER A 6 3.510 11.275 23.444 1.00 0.00 C ATOM 50 C SER A 6 3.428 10.015 22.587 1.00 0.00 C ATOM 51 O SER A 6 2.408 9.329 22.567 1.00 0.00 O ATOM 52 CB SER A 6 3.920 10.908 24.871 1.00 0.00 C ATOM 53 OG SER A 6 3.058 9.923 25.413 1.00 0.00 O ATOM 0 H SER A 6 1.415 11.375 23.403 1.00 0.00 H new ATOM 0 HA SER A 6 4.263 11.937 23.016 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.946 10.539 24.874 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.899 11.799 25.499 1.00 0.00 H new ATOM 0 HG SER A 6 3.343 9.705 26.325 1.00 0.00 H new ATOM 59 N GLY A 7 4.514 9.718 21.878 1.00 0.00 N ATOM 60 CA GLY A 7 4.546 8.543 21.028 1.00 0.00 C ATOM 61 C GLY A 7 5.955 8.042 20.783 1.00 0.00 C ATOM 62 O GLY A 7 6.925 8.652 21.236 1.00 0.00 O ATOM 0 H GLY A 7 5.371 10.271 21.878 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.957 7.750 21.488 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.076 8.777 20.073 1.00 0.00 H new ATOM 66 N ASP A 8 6.070 6.929 20.067 1.00 0.00 N ATOM 67 CA ASP A 8 7.372 6.346 19.764 1.00 0.00 C ATOM 68 C ASP A 8 7.711 6.512 18.286 1.00 0.00 C ATOM 69 O ASP A 8 6.864 6.914 17.487 1.00 0.00 O ATOM 70 CB ASP A 8 7.392 4.864 20.141 1.00 0.00 C ATOM 71 CG ASP A 8 7.199 4.643 21.628 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.141 5.043 22.155 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.108 4.069 22.265 1.00 0.00 O ATOM 0 H ASP A 8 5.278 6.412 19.686 1.00 0.00 H new ATOM 0 HA ASP A 8 8.124 6.872 20.352 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.607 4.342 19.594 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.341 4.426 19.832 1.00 0.00 H new ATOM 78 N GLN A 9 8.953 6.202 17.930 1.00 0.00 N ATOM 79 CA GLN A 9 9.403 6.319 16.548 1.00 0.00 C ATOM 80 C GLN A 9 8.981 5.101 15.733 1.00 0.00 C ATOM 81 O GLN A 9 9.202 3.961 16.142 1.00 0.00 O ATOM 82 CB GLN A 9 10.923 6.480 16.496 1.00 0.00 C ATOM 83 CG GLN A 9 11.414 7.807 17.053 1.00 0.00 C ATOM 84 CD GLN A 9 10.608 8.986 16.546 1.00 0.00 C ATOM 85 OE1 GLN A 9 9.866 9.616 17.301 1.00 0.00 O ATOM 86 NE2 GLN A 9 10.748 9.292 15.262 1.00 0.00 N ATOM 0 H GLN A 9 9.666 5.868 18.579 1.00 0.00 H new ATOM 0 HA GLN A 9 8.936 7.203 16.114 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.385 5.667 17.056 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.255 6.384 15.462 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.366 7.780 18.142 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.461 7.945 16.784 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.374 8.743 14.672 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.230 10.076 14.865 1.00 0.00 H new ATOM 95 N ASP A 10 8.371 5.350 14.579 1.00 0.00 N ATOM 96 CA ASP A 10 7.918 4.274 13.706 1.00 0.00 C ATOM 97 C ASP A 10 8.227 4.592 12.246 1.00 0.00 C ATOM 98 O ASP A 10 8.648 5.701 11.916 1.00 0.00 O ATOM 99 CB ASP A 10 6.417 4.042 13.884 1.00 0.00 C ATOM 100 CG ASP A 10 5.611 5.315 13.719 1.00 0.00 C ATOM 101 OD1 ASP A 10 5.715 5.948 12.647 1.00 0.00 O ATOM 102 OD2 ASP A 10 4.876 5.679 14.661 1.00 0.00 O ATOM 0 H ASP A 10 8.179 6.288 14.227 1.00 0.00 H new ATOM 0 HA ASP A 10 8.453 3.366 13.982 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.078 3.304 13.157 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.232 3.624 14.873 1.00 0.00 H new ATOM 107 N THR A 11 8.016 3.611 11.374 1.00 0.00 N ATOM 108 CA THR A 11 8.274 3.785 9.951 1.00 0.00 C ATOM 109 C THR A 11 7.177 4.612 9.290 1.00 0.00 C ATOM 110 O THR A 11 6.027 4.604 9.733 1.00 0.00 O ATOM 111 CB THR A 11 8.381 2.428 9.229 1.00 0.00 C ATOM 112 OG1 THR A 11 9.054 1.480 10.066 1.00 0.00 O ATOM 113 CG2 THR A 11 9.131 2.572 7.913 1.00 0.00 C ATOM 0 H THR A 11 7.667 2.687 11.629 1.00 0.00 H new ATOM 0 HA THR A 11 9.225 4.311 9.865 1.00 0.00 H new ATOM 0 HB THR A 11 7.372 2.074 9.017 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.117 0.620 9.601 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.194 1.601 7.422 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.601 3.272 7.267 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.136 2.946 8.106 1.00 0.00 H new ATOM 121 N LEU A 12 7.538 5.326 8.230 1.00 0.00 N ATOM 122 CA LEU A 12 6.584 6.160 7.507 1.00 0.00 C ATOM 123 C LEU A 12 5.442 5.319 6.945 1.00 0.00 C ATOM 124 O LEU A 12 4.286 5.741 6.949 1.00 0.00 O ATOM 125 CB LEU A 12 7.287 6.909 6.374 1.00 0.00 C ATOM 126 CG LEU A 12 6.464 7.990 5.672 1.00 0.00 C ATOM 127 CD1 LEU A 12 7.370 8.921 4.882 1.00 0.00 C ATOM 128 CD2 LEU A 12 5.420 7.359 4.762 1.00 0.00 C ATOM 0 H LEU A 12 8.485 5.344 7.852 1.00 0.00 H new ATOM 0 HA LEU A 12 6.167 6.883 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.189 7.371 6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.606 6.182 5.628 1.00 0.00 H new ATOM 0 HG LEU A 12 5.947 8.577 6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.767 9.684 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.079 9.399 5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.915 8.348 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.844 8.143 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.916 6.747 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.751 6.734 5.354 1.00 0.00 H new ATOM 140 N VAL A 13 5.775 4.125 6.464 1.00 0.00 N ATOM 141 CA VAL A 13 4.778 3.223 5.901 1.00 0.00 C ATOM 142 C VAL A 13 3.441 3.364 6.621 1.00 0.00 C ATOM 143 O VAL A 13 3.291 2.929 7.762 1.00 0.00 O ATOM 144 CB VAL A 13 5.239 1.756 5.982 1.00 0.00 C ATOM 145 CG1 VAL A 13 4.100 0.816 5.615 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.443 1.526 5.081 1.00 0.00 C ATOM 0 H VAL A 13 6.728 3.760 6.453 1.00 0.00 H new ATOM 0 HA VAL A 13 4.655 3.500 4.854 1.00 0.00 H new ATOM 0 HB VAL A 13 5.536 1.543 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.445 -0.216 5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.270 0.964 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.768 1.026 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.756 0.484 5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.175 1.757 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.262 2.172 5.396 1.00 0.00 H new ATOM 156 N GLN A 14 2.473 3.974 5.945 1.00 0.00 N ATOM 157 CA GLN A 14 1.148 4.173 6.520 1.00 0.00 C ATOM 158 C GLN A 14 0.190 3.073 6.074 1.00 0.00 C ATOM 159 O GLN A 14 0.546 2.219 5.261 1.00 0.00 O ATOM 160 CB GLN A 14 0.594 5.541 6.119 1.00 0.00 C ATOM 161 CG GLN A 14 0.926 5.936 4.689 1.00 0.00 C ATOM 162 CD GLN A 14 0.253 7.228 4.269 1.00 0.00 C ATOM 163 OE1 GLN A 14 -0.964 7.375 4.389 1.00 0.00 O ATOM 164 NE2 GLN A 14 1.042 8.173 3.772 1.00 0.00 N ATOM 0 H GLN A 14 2.581 4.339 4.999 1.00 0.00 H new ATOM 0 HA GLN A 14 1.241 4.131 7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.489 5.536 6.244 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.990 6.297 6.797 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.006 6.044 4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.620 5.136 4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.045 8.009 3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.645 9.063 3.472 1.00 0.00 H new ATOM 173 N ARG A 15 -1.025 3.100 6.611 1.00 0.00 N ATOM 174 CA ARG A 15 -2.033 2.104 6.270 1.00 0.00 C ATOM 175 C ARG A 15 -3.389 2.762 6.031 1.00 0.00 C ATOM 176 O ARG A 15 -3.591 3.929 6.366 1.00 0.00 O ATOM 177 CB ARG A 15 -2.150 1.062 7.384 1.00 0.00 C ATOM 178 CG ARG A 15 -0.900 0.215 7.558 1.00 0.00 C ATOM 179 CD ARG A 15 -1.051 -0.772 8.705 1.00 0.00 C ATOM 180 NE ARG A 15 -0.847 -0.137 10.004 1.00 0.00 N ATOM 181 CZ ARG A 15 0.342 -0.008 10.581 1.00 0.00 C ATOM 182 NH1 ARG A 15 1.429 -0.467 9.976 1.00 0.00 N ATOM 183 NH2 ARG A 15 0.447 0.583 11.764 1.00 0.00 N ATOM 0 H ARG A 15 -1.335 3.801 7.284 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.721 1.609 5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.369 1.570 8.323 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.995 0.408 7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.695 -0.327 6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.043 0.863 7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.045 -1.217 8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.334 -1.584 8.582 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.663 0.228 10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.353 -0.920 9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.341 -0.367 10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.386 0.939 12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.361 0.681 12.206 1.00 0.00 H new ATOM 197 N ALA A 16 -4.314 2.006 5.449 1.00 0.00 N ATOM 198 CA ALA A 16 -5.650 2.515 5.167 1.00 0.00 C ATOM 199 C ALA A 16 -6.691 1.854 6.064 1.00 0.00 C ATOM 200 O ALA A 16 -6.637 0.649 6.308 1.00 0.00 O ATOM 201 CB ALA A 16 -6.000 2.298 3.702 1.00 0.00 C ATOM 0 H ALA A 16 -4.162 1.039 5.164 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.655 3.585 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.001 2.683 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.280 2.823 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.970 1.232 3.475 1.00 0.00 H new ATOM 207 N GLU A 17 -7.636 2.651 6.554 1.00 0.00 N ATOM 208 CA GLU A 17 -8.687 2.141 7.426 1.00 0.00 C ATOM 209 C GLU A 17 -9.802 1.491 6.612 1.00 0.00 C ATOM 210 O GLU A 17 -10.550 2.171 5.908 1.00 0.00 O ATOM 211 CB GLU A 17 -9.260 3.271 8.285 1.00 0.00 C ATOM 212 CG GLU A 17 -9.825 2.799 9.614 1.00 0.00 C ATOM 213 CD GLU A 17 -9.781 3.875 10.681 1.00 0.00 C ATOM 214 OE1 GLU A 17 -8.673 4.362 10.988 1.00 0.00 O ATOM 215 OE2 GLU A 17 -10.856 4.229 11.210 1.00 0.00 O ATOM 0 H GLU A 17 -7.695 3.651 6.362 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.248 1.385 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.477 4.006 8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.046 3.779 7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.856 2.475 9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.262 1.930 9.956 1.00 0.00 H new ATOM 222 N HIS A 18 -9.907 0.170 6.712 1.00 0.00 N ATOM 223 CA HIS A 18 -10.930 -0.573 5.985 1.00 0.00 C ATOM 224 C HIS A 18 -12.321 -0.249 6.522 1.00 0.00 C ATOM 225 O HIS A 18 -12.675 -0.640 7.634 1.00 0.00 O ATOM 226 CB HIS A 18 -10.669 -2.076 6.089 1.00 0.00 C ATOM 227 CG HIS A 18 -9.689 -2.585 5.077 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.832 -3.796 4.434 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.547 -2.038 4.598 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.820 -3.973 3.603 1.00 0.00 C ATOM 231 NE2 HIS A 18 -8.026 -2.921 3.683 1.00 0.00 N ATOM 0 H HIS A 18 -9.296 -0.408 7.289 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.885 -0.275 4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.298 -2.304 7.088 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.612 -2.609 5.970 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.124 -1.086 4.882 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.668 -4.832 2.966 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.166 -2.786 3.152 1.00 0.00 H new ATOM 240 N ILE A 19 -13.105 0.470 5.724 1.00 0.00 N ATOM 241 CA ILE A 19 -14.456 0.846 6.119 1.00 0.00 C ATOM 242 C ILE A 19 -15.484 -0.138 5.570 1.00 0.00 C ATOM 243 O ILE A 19 -15.511 -0.446 4.378 1.00 0.00 O ATOM 244 CB ILE A 19 -14.810 2.264 5.633 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.892 3.296 6.290 1.00 0.00 C ATOM 246 CG2 ILE A 19 -16.269 2.578 5.931 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.893 3.230 7.802 1.00 0.00 C ATOM 0 H ILE A 19 -12.827 0.803 4.801 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.483 0.826 7.208 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.662 2.309 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.874 3.148 5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -14.199 4.294 5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.503 3.583 5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.908 1.858 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.442 2.518 7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.220 3.990 8.200 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.902 3.408 8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.557 2.244 8.123 1.00 0.00 H new ATOM 259 N PRO A 20 -16.351 -0.645 6.459 1.00 0.00 N ATOM 260 CA PRO A 20 -17.399 -1.600 6.087 1.00 0.00 C ATOM 261 C PRO A 20 -18.491 -0.961 5.237 1.00 0.00 C ATOM 262 O PRO A 20 -18.568 0.263 5.125 1.00 0.00 O ATOM 263 CB PRO A 20 -17.965 -2.049 7.436 1.00 0.00 C ATOM 264 CG PRO A 20 -17.675 -0.920 8.363 1.00 0.00 C ATOM 265 CD PRO A 20 -16.377 -0.323 7.896 1.00 0.00 C ATOM 0 HA PRO A 20 -17.009 -2.417 5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.036 -2.243 7.371 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.494 -2.971 7.776 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.475 -0.180 8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.595 -1.271 9.392 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.345 0.753 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.524 -0.755 8.420 1.00 0.00 H new ATOM 273 N ALA A 21 -19.336 -1.796 4.641 1.00 0.00 N ATOM 274 CA ALA A 21 -20.426 -1.311 3.803 1.00 0.00 C ATOM 275 C ALA A 21 -21.534 -0.692 4.648 1.00 0.00 C ATOM 276 O ALA A 21 -21.763 -1.101 5.786 1.00 0.00 O ATOM 277 CB ALA A 21 -20.980 -2.443 2.951 1.00 0.00 C ATOM 0 H ALA A 21 -19.287 -2.812 4.723 1.00 0.00 H new ATOM 0 HA ALA A 21 -20.030 -0.537 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.793 -2.067 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.190 -2.839 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.355 -3.236 3.598 1.00 0.00 H new ATOM 283 N GLY A 22 -22.219 0.299 4.084 1.00 0.00 N ATOM 284 CA GLY A 22 -23.294 0.959 4.801 1.00 0.00 C ATOM 285 C GLY A 22 -22.798 2.098 5.669 1.00 0.00 C ATOM 286 O GLY A 22 -23.397 3.173 5.699 1.00 0.00 O ATOM 0 H GLY A 22 -22.048 0.656 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.022 1.342 4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.812 0.230 5.424 1.00 0.00 H new ATOM 290 N LYS A 23 -21.700 1.863 6.380 1.00 0.00 N ATOM 291 CA LYS A 23 -21.123 2.876 7.255 1.00 0.00 C ATOM 292 C LYS A 23 -21.147 4.248 6.588 1.00 0.00 C ATOM 293 O LYS A 23 -21.794 5.175 7.077 1.00 0.00 O ATOM 294 CB LYS A 23 -19.685 2.502 7.624 1.00 0.00 C ATOM 295 CG LYS A 23 -19.157 3.244 8.840 1.00 0.00 C ATOM 296 CD LYS A 23 -19.631 2.602 10.133 1.00 0.00 C ATOM 297 CE LYS A 23 -19.190 3.406 11.347 1.00 0.00 C ATOM 298 NZ LYS A 23 -19.943 3.018 12.572 1.00 0.00 N ATOM 0 H LYS A 23 -21.192 0.979 6.367 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.725 2.922 8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.634 1.430 7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.035 2.707 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.067 3.255 8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.487 4.282 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.718 2.521 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.237 1.588 10.203 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.123 3.257 11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.336 4.468 11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.614 3.588 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.959 3.184 12.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.783 2.010 12.773 1.00 0.00 H new ATOM 312 N ARG A 24 -20.440 4.370 5.470 1.00 0.00 N ATOM 313 CA ARG A 24 -20.381 5.629 4.737 1.00 0.00 C ATOM 314 C ARG A 24 -20.217 5.379 3.240 1.00 0.00 C ATOM 315 O ARG A 24 -19.654 4.365 2.827 1.00 0.00 O ATOM 316 CB ARG A 24 -19.226 6.490 5.251 1.00 0.00 C ATOM 317 CG ARG A 24 -19.272 7.927 4.759 1.00 0.00 C ATOM 318 CD ARG A 24 -17.886 8.551 4.732 1.00 0.00 C ATOM 319 NE ARG A 24 -17.407 8.878 6.073 1.00 0.00 N ATOM 320 CZ ARG A 24 -16.497 9.813 6.320 1.00 0.00 C ATOM 321 NH1 ARG A 24 -15.970 10.511 5.324 1.00 0.00 N ATOM 322 NH2 ARG A 24 -16.112 10.053 7.568 1.00 0.00 N ATOM 0 H ARG A 24 -19.900 3.613 5.052 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.320 6.159 4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.239 6.487 6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.283 6.039 4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.705 7.957 3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.924 8.514 5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.188 7.863 4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.907 9.455 4.124 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.793 8.360 6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -16.263 10.331 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.271 11.228 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.515 9.519 8.338 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.413 10.771 7.757 1.00 0.00 H new ATOM 336 N THR A 25 -20.713 6.311 2.432 1.00 0.00 N ATOM 337 CA THR A 25 -20.623 6.192 0.982 1.00 0.00 C ATOM 338 C THR A 25 -19.977 7.428 0.368 1.00 0.00 C ATOM 339 O THR A 25 -20.612 8.194 -0.358 1.00 0.00 O ATOM 340 CB THR A 25 -22.011 5.983 0.348 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.892 7.042 0.738 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.602 4.645 0.767 1.00 0.00 C ATOM 0 H THR A 25 -21.181 7.157 2.757 1.00 0.00 H new ATOM 0 HA THR A 25 -20.002 5.320 0.775 1.00 0.00 H new ATOM 0 HB THR A 25 -21.895 5.988 -0.736 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.548 7.895 0.400 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.582 4.520 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.944 3.839 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.704 4.616 1.852 1.00 0.00 H new ATOM 350 N PRO A 26 -18.685 7.631 0.663 1.00 0.00 N ATOM 351 CA PRO A 26 -17.924 8.774 0.149 1.00 0.00 C ATOM 352 C PRO A 26 -17.667 8.671 -1.351 1.00 0.00 C ATOM 353 O PRO A 26 -18.152 7.753 -2.012 1.00 0.00 O ATOM 354 CB PRO A 26 -16.607 8.701 0.924 1.00 0.00 C ATOM 355 CG PRO A 26 -16.467 7.267 1.302 1.00 0.00 C ATOM 356 CD PRO A 26 -17.866 6.759 1.522 1.00 0.00 C ATOM 0 HA PRO A 26 -18.460 9.714 0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.769 9.032 0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.631 9.342 1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.966 6.703 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.866 7.158 2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.962 5.711 1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.161 6.834 2.569 1.00 0.00 H new ATOM 364 N MET A 27 -16.899 9.617 -1.881 1.00 0.00 N ATOM 365 CA MET A 27 -16.576 9.631 -3.303 1.00 0.00 C ATOM 366 C MET A 27 -15.130 9.204 -3.536 1.00 0.00 C ATOM 367 O MET A 27 -14.199 9.819 -3.015 1.00 0.00 O ATOM 368 CB MET A 27 -16.809 11.025 -3.887 1.00 0.00 C ATOM 369 CG MET A 27 -18.219 11.236 -4.414 1.00 0.00 C ATOM 370 SD MET A 27 -19.475 11.041 -3.135 1.00 0.00 S ATOM 371 CE MET A 27 -20.898 10.591 -4.124 1.00 0.00 C ATOM 0 H MET A 27 -16.489 10.384 -1.348 1.00 0.00 H new ATOM 0 HA MET A 27 -17.232 8.920 -3.806 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.602 11.771 -3.119 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.099 11.194 -4.696 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.296 12.234 -4.844 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.412 10.526 -5.219 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.494 9.852 -3.589 1.00 0.00 H new ATOM 0 HE2 MET A 27 -21.504 11.477 -4.314 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.564 10.170 -5.072 1.00 0.00 H new ATOM 381 N CYS A 28 -14.949 8.147 -4.321 1.00 0.00 N ATOM 382 CA CYS A 28 -13.617 7.637 -4.622 1.00 0.00 C ATOM 383 C CYS A 28 -12.681 8.770 -5.031 1.00 0.00 C ATOM 384 O CYS A 28 -13.116 9.900 -5.251 1.00 0.00 O ATOM 385 CB CYS A 28 -13.689 6.591 -5.737 1.00 0.00 C ATOM 386 SG CYS A 28 -12.251 5.475 -5.803 1.00 0.00 S ATOM 0 H CYS A 28 -15.709 7.627 -4.760 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.221 7.170 -3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.592 5.995 -5.604 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.783 7.102 -6.695 1.00 0.00 H new ATOM 391 N ALA A 29 -11.393 8.458 -5.132 1.00 0.00 N ATOM 392 CA ALA A 29 -10.395 9.448 -5.517 1.00 0.00 C ATOM 393 C ALA A 29 -9.940 9.238 -6.957 1.00 0.00 C ATOM 394 O ALA A 29 -9.740 10.198 -7.702 1.00 0.00 O ATOM 395 CB ALA A 29 -9.204 9.393 -4.571 1.00 0.00 C ATOM 0 H ALA A 29 -11.016 7.527 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.853 10.435 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.467 10.138 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.537 9.601 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.754 8.401 -4.610 1.00 0.00 H new ATOM 401 N HIS A 30 -9.777 7.976 -7.343 1.00 0.00 N ATOM 402 CA HIS A 30 -9.344 7.640 -8.694 1.00 0.00 C ATOM 403 C HIS A 30 -10.495 7.787 -9.685 1.00 0.00 C ATOM 404 O HIS A 30 -10.462 8.643 -10.569 1.00 0.00 O ATOM 405 CB HIS A 30 -8.798 6.213 -8.738 1.00 0.00 C ATOM 406 CG HIS A 30 -8.642 5.673 -10.126 1.00 0.00 C ATOM 407 ND1 HIS A 30 -9.531 5.057 -10.941 1.00 0.00 N flip ATOM 408 CD2 HIS A 30 -7.458 5.733 -10.829 1.00 0.00 C flip ATOM 409 CE1 HIS A 30 -8.874 4.762 -12.110 1.00 0.00 C flip ATOM 410 NE2 HIS A 30 -7.625 5.180 -12.017 1.00 0.00 N flip ATOM 0 H HIS A 30 -9.938 7.170 -6.739 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.552 8.333 -8.978 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.831 6.188 -8.236 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.466 5.560 -8.176 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.537 6.165 -10.465 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.308 4.268 -12.967 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.911 5.091 -12.740 1.00 0.00 H new ATOM 419 N CYS A 31 -11.512 6.945 -9.532 1.00 0.00 N ATOM 420 CA CYS A 31 -12.673 6.980 -10.413 1.00 0.00 C ATOM 421 C CYS A 31 -13.621 8.109 -10.020 1.00 0.00 C ATOM 422 O CYS A 31 -14.373 8.619 -10.849 1.00 0.00 O ATOM 423 CB CYS A 31 -13.412 5.641 -10.371 1.00 0.00 C ATOM 424 SG CYS A 31 -14.296 5.328 -8.809 1.00 0.00 S ATOM 0 H CYS A 31 -11.555 6.230 -8.806 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.321 7.162 -11.429 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.126 5.607 -11.194 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.695 4.837 -10.538 1.00 0.00 H new ATOM 429 N ASN A 32 -13.579 8.493 -8.748 1.00 0.00 N ATOM 430 CA ASN A 32 -14.434 9.562 -8.244 1.00 0.00 C ATOM 431 C ASN A 32 -15.907 9.188 -8.376 1.00 0.00 C ATOM 432 O ASN A 32 -16.710 9.963 -8.894 1.00 0.00 O ATOM 433 CB ASN A 32 -14.157 10.864 -8.998 1.00 0.00 C ATOM 434 CG ASN A 32 -14.851 12.056 -8.367 1.00 0.00 C ATOM 435 OD1 ASN A 32 -14.927 12.167 -7.144 1.00 0.00 O ATOM 436 ND2 ASN A 32 -15.360 12.954 -9.202 1.00 0.00 N ATOM 0 H ASN A 32 -12.963 8.080 -8.048 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.207 9.707 -7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.082 11.044 -9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.487 10.760 -10.031 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.838 13.777 -8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.273 12.820 -10.209 1.00 0.00 H new ATOM 443 N GLN A 33 -16.254 7.995 -7.904 1.00 0.00 N ATOM 444 CA GLN A 33 -17.630 7.518 -7.970 1.00 0.00 C ATOM 445 C GLN A 33 -18.116 7.066 -6.596 1.00 0.00 C ATOM 446 O GLN A 33 -17.370 6.453 -5.833 1.00 0.00 O ATOM 447 CB GLN A 33 -17.746 6.365 -8.969 1.00 0.00 C ATOM 448 CG GLN A 33 -17.435 6.769 -10.401 1.00 0.00 C ATOM 449 CD GLN A 33 -18.614 7.424 -11.092 1.00 0.00 C ATOM 450 OE1 GLN A 33 -19.513 7.957 -10.440 1.00 0.00 O ATOM 451 NE2 GLN A 33 -18.617 7.390 -12.420 1.00 0.00 N ATOM 0 H GLN A 33 -15.601 7.341 -7.472 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.258 8.344 -8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.067 5.566 -8.670 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.756 5.958 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.589 7.456 -10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.132 5.887 -10.966 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -17.852 6.938 -12.920 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.385 7.816 -12.939 1.00 0.00 H new ATOM 460 N VAL A 34 -19.372 7.375 -6.288 1.00 0.00 N ATOM 461 CA VAL A 34 -19.958 7.000 -5.006 1.00 0.00 C ATOM 462 C VAL A 34 -19.706 5.529 -4.696 1.00 0.00 C ATOM 463 O VAL A 34 -19.939 4.658 -5.535 1.00 0.00 O ATOM 464 CB VAL A 34 -21.475 7.265 -4.984 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.163 6.525 -6.122 1.00 0.00 C ATOM 466 CG2 VAL A 34 -22.067 6.863 -3.642 1.00 0.00 C ATOM 0 H VAL A 34 -20.003 7.883 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.478 7.616 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.641 8.333 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.234 6.724 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.758 6.866 -7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.990 5.454 -6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -23.140 7.057 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.891 5.801 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.595 7.442 -2.848 1.00 0.00 H new ATOM 476 N ILE A 35 -19.229 5.259 -3.485 1.00 0.00 N ATOM 477 CA ILE A 35 -18.947 3.893 -3.063 1.00 0.00 C ATOM 478 C ILE A 35 -20.096 3.323 -2.238 1.00 0.00 C ATOM 479 O ILE A 35 -20.473 3.885 -1.210 1.00 0.00 O ATOM 480 CB ILE A 35 -17.649 3.816 -2.237 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.475 4.386 -3.036 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.368 2.378 -1.825 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.355 4.915 -2.168 1.00 0.00 C ATOM 0 H ILE A 35 -19.030 5.968 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.827 3.301 -3.970 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.774 4.414 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.080 3.609 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.838 5.190 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.448 2.340 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -18.195 2.004 -1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.259 1.759 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.557 5.303 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.735 5.714 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.965 4.109 -1.546 1.00 0.00 H new ATOM 495 N ARG A 36 -20.648 2.204 -2.696 1.00 0.00 N ATOM 496 CA ARG A 36 -21.754 1.558 -2.000 1.00 0.00 C ATOM 497 C ARG A 36 -21.238 0.578 -0.951 1.00 0.00 C ATOM 498 O ARG A 36 -21.708 0.565 0.186 1.00 0.00 O ATOM 499 CB ARG A 36 -22.654 0.827 -2.998 1.00 0.00 C ATOM 500 CG ARG A 36 -23.387 1.756 -3.951 1.00 0.00 C ATOM 501 CD ARG A 36 -24.701 1.150 -4.420 1.00 0.00 C ATOM 502 NE ARG A 36 -24.499 0.132 -5.447 1.00 0.00 N ATOM 503 CZ ARG A 36 -25.409 -0.782 -5.766 1.00 0.00 C ATOM 504 NH1 ARG A 36 -26.578 -0.804 -5.140 1.00 0.00 N ATOM 505 NH2 ARG A 36 -25.152 -1.675 -6.712 1.00 0.00 N ATOM 0 H ARG A 36 -20.347 1.726 -3.546 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.334 2.331 -1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -22.049 0.130 -3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.385 0.234 -2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.580 2.708 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.754 1.967 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -25.221 0.709 -3.569 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.344 1.938 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 36 -23.610 0.122 -5.947 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -26.780 -0.118 -4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -27.275 -1.506 -5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -24.254 -1.661 -7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.852 -2.376 -6.955 1.00 0.00 H new ATOM 519 N GLY A 37 -20.268 -0.243 -1.342 1.00 0.00 N ATOM 520 CA GLY A 37 -19.704 -1.216 -0.424 1.00 0.00 C ATOM 521 C GLY A 37 -18.586 -0.636 0.421 1.00 0.00 C ATOM 522 O GLY A 37 -18.483 0.577 0.604 1.00 0.00 O ATOM 0 H GLY A 37 -19.863 -0.252 -2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.491 -1.593 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.324 -2.067 -0.989 1.00 0.00 H new ATOM 526 N PRO A 38 -17.725 -1.516 0.953 1.00 0.00 N ATOM 527 CA PRO A 38 -16.594 -1.108 1.792 1.00 0.00 C ATOM 528 C PRO A 38 -15.514 -0.383 0.997 1.00 0.00 C ATOM 529 O PRO A 38 -15.151 -0.802 -0.102 1.00 0.00 O ATOM 530 CB PRO A 38 -16.058 -2.435 2.335 1.00 0.00 C ATOM 531 CG PRO A 38 -16.472 -3.451 1.327 1.00 0.00 C ATOM 532 CD PRO A 38 -17.788 -2.977 0.776 1.00 0.00 C ATOM 0 HA PRO A 38 -16.896 -0.405 2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.974 -2.408 2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.475 -2.658 3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.728 -3.541 0.536 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.572 -4.435 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.907 -3.250 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.630 -3.411 1.316 1.00 0.00 H new ATOM 540 N PHE A 39 -15.003 0.708 1.560 1.00 0.00 N ATOM 541 CA PHE A 39 -13.965 1.492 0.902 1.00 0.00 C ATOM 542 C PHE A 39 -12.764 1.686 1.825 1.00 0.00 C ATOM 543 O PHE A 39 -12.809 1.332 3.004 1.00 0.00 O ATOM 544 CB PHE A 39 -14.518 2.853 0.473 1.00 0.00 C ATOM 545 CG PHE A 39 -14.871 3.747 1.627 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.879 4.351 2.382 1.00 0.00 C ATOM 547 CD2 PHE A 39 -16.196 3.983 1.957 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.201 5.175 3.445 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.524 4.806 3.018 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.525 5.401 3.763 1.00 0.00 C ATOM 0 H PHE A 39 -15.291 1.068 2.470 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.638 0.946 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.780 3.355 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.405 2.699 -0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.842 4.176 2.138 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.981 3.519 1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.418 5.641 4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.560 4.984 3.264 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.779 6.043 4.594 1.00 0.00 H new ATOM 560 N LEU A 40 -11.692 2.250 1.279 1.00 0.00 N ATOM 561 CA LEU A 40 -10.479 2.492 2.052 1.00 0.00 C ATOM 562 C LEU A 40 -10.194 3.986 2.166 1.00 0.00 C ATOM 563 O LEU A 40 -10.086 4.687 1.159 1.00 0.00 O ATOM 564 CB LEU A 40 -9.289 1.782 1.404 1.00 0.00 C ATOM 565 CG LEU A 40 -9.608 0.496 0.641 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.543 0.219 -0.409 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.729 -0.678 1.603 1.00 0.00 C ATOM 0 H LEU A 40 -11.638 2.548 0.305 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.631 2.093 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.807 2.478 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.563 1.548 2.183 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.564 0.625 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.787 -0.700 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.504 1.048 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.573 0.110 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.956 -1.585 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.789 -0.808 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.529 -0.482 2.317 1.00 0.00 H new ATOM 579 N VAL A 41 -10.070 4.467 3.398 1.00 0.00 N ATOM 580 CA VAL A 41 -9.794 5.878 3.644 1.00 0.00 C ATOM 581 C VAL A 41 -8.328 6.097 3.998 1.00 0.00 C ATOM 582 O VAL A 41 -7.849 5.621 5.026 1.00 0.00 O ATOM 583 CB VAL A 41 -10.674 6.432 4.781 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.855 5.389 5.873 1.00 0.00 C ATOM 585 CG2 VAL A 41 -10.071 7.709 5.346 1.00 0.00 C ATOM 0 H VAL A 41 -10.156 3.901 4.242 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.026 6.412 2.722 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.657 6.670 4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.479 5.798 6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.334 4.504 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.882 5.116 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.705 8.087 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.076 7.499 5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.999 8.458 4.557 1.00 0.00 H new ATOM 595 N ALA A 42 -7.620 6.823 3.138 1.00 0.00 N ATOM 596 CA ALA A 42 -6.208 7.108 3.361 1.00 0.00 C ATOM 597 C ALA A 42 -5.787 8.387 2.646 1.00 0.00 C ATOM 598 O ALA A 42 -6.422 8.807 1.678 1.00 0.00 O ATOM 599 CB ALA A 42 -5.353 5.937 2.899 1.00 0.00 C ATOM 0 H ALA A 42 -8.001 7.224 2.281 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.057 7.254 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.301 6.164 3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.628 5.043 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.517 5.764 1.835 1.00 0.00 H new ATOM 605 N LEU A 43 -4.713 9.003 3.129 1.00 0.00 N ATOM 606 CA LEU A 43 -4.207 10.237 2.537 1.00 0.00 C ATOM 607 C LEU A 43 -5.286 11.315 2.520 1.00 0.00 C ATOM 608 O LEU A 43 -5.272 12.209 1.675 1.00 0.00 O ATOM 609 CB LEU A 43 -3.710 9.975 1.114 1.00 0.00 C ATOM 610 CG LEU A 43 -2.333 9.320 0.994 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.293 10.119 1.765 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.381 7.883 1.492 1.00 0.00 C ATOM 0 H LEU A 43 -4.176 8.668 3.929 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.376 10.590 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.437 9.341 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.687 10.924 0.578 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.047 9.310 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.320 9.638 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.240 11.131 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.574 10.162 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.393 7.433 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.689 7.870 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.096 7.315 0.896 1.00 0.00 H new ATOM 624 N GLY A 44 -6.220 11.226 3.463 1.00 0.00 N ATOM 625 CA GLY A 44 -7.291 12.201 3.540 1.00 0.00 C ATOM 626 C GLY A 44 -8.278 12.071 2.396 1.00 0.00 C ATOM 627 O GLY A 44 -8.821 13.067 1.917 1.00 0.00 O ATOM 0 H GLY A 44 -6.253 10.496 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.819 12.082 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.865 13.204 3.536 1.00 0.00 H new ATOM 631 N LYS A 45 -8.510 10.839 1.955 1.00 0.00 N ATOM 632 CA LYS A 45 -9.437 10.580 0.859 1.00 0.00 C ATOM 633 C LYS A 45 -9.850 9.112 0.832 1.00 0.00 C ATOM 634 O LYS A 45 -9.264 8.280 1.523 1.00 0.00 O ATOM 635 CB LYS A 45 -8.800 10.967 -0.477 1.00 0.00 C ATOM 636 CG LYS A 45 -9.000 12.427 -0.846 1.00 0.00 C ATOM 637 CD LYS A 45 -8.776 12.663 -2.331 1.00 0.00 C ATOM 638 CE LYS A 45 -9.111 14.093 -2.724 1.00 0.00 C ATOM 639 NZ LYS A 45 -10.574 14.287 -2.921 1.00 0.00 N ATOM 0 H LYS A 45 -8.069 10.004 2.340 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.328 11.187 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.732 10.754 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.219 10.341 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.010 12.736 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.312 13.046 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.737 12.449 -2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.392 11.972 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.755 14.775 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.584 14.350 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.760 15.275 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.909 13.655 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.076 14.067 -2.037 1.00 0.00 H new ATOM 653 N SER A 46 -10.862 8.802 0.027 1.00 0.00 N ATOM 654 CA SER A 46 -11.354 7.434 -0.089 1.00 0.00 C ATOM 655 C SER A 46 -10.936 6.817 -1.420 1.00 0.00 C ATOM 656 O SER A 46 -10.645 7.528 -2.382 1.00 0.00 O ATOM 657 CB SER A 46 -12.878 7.406 0.043 1.00 0.00 C ATOM 658 OG SER A 46 -13.501 7.867 -1.144 1.00 0.00 O ATOM 0 H SER A 46 -11.357 9.479 -0.554 1.00 0.00 H new ATOM 0 HA SER A 46 -10.915 6.846 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.209 6.390 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.185 8.028 0.884 1.00 0.00 H new ATOM 0 HG SER A 46 -13.328 8.825 -1.253 1.00 0.00 H new ATOM 664 N TRP A 47 -10.908 5.490 -1.466 1.00 0.00 N ATOM 665 CA TRP A 47 -10.525 4.776 -2.679 1.00 0.00 C ATOM 666 C TRP A 47 -11.212 3.417 -2.750 1.00 0.00 C ATOM 667 O TRP A 47 -11.733 2.921 -1.751 1.00 0.00 O ATOM 668 CB TRP A 47 -9.007 4.597 -2.732 1.00 0.00 C ATOM 669 CG TRP A 47 -8.250 5.806 -2.273 1.00 0.00 C ATOM 670 CD1 TRP A 47 -8.274 6.365 -1.027 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.358 6.607 -3.056 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.451 7.464 -0.988 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.876 7.633 -2.220 1.00 0.00 C ATOM 674 CE3 TRP A 47 -6.917 6.555 -4.381 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -5.979 8.598 -2.668 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.026 7.514 -4.825 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.564 8.524 -3.970 1.00 0.00 C ATOM 0 H TRP A 47 -11.146 4.887 -0.678 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.844 5.369 -3.536 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.727 3.745 -2.112 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.712 4.359 -3.754 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.855 5.997 -0.194 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.293 8.058 -0.174 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.266 5.779 -5.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.623 9.378 -2.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.680 7.485 -5.848 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.867 9.258 -4.346 1.00 0.00 H new ATOM 688 N HIS A 48 -11.211 2.819 -3.937 1.00 0.00 N ATOM 689 CA HIS A 48 -11.834 1.516 -4.138 1.00 0.00 C ATOM 690 C HIS A 48 -10.843 0.390 -3.858 1.00 0.00 C ATOM 691 O HIS A 48 -9.689 0.426 -4.285 1.00 0.00 O ATOM 692 CB HIS A 48 -12.368 1.397 -5.566 1.00 0.00 C ATOM 693 CG HIS A 48 -13.772 1.895 -5.724 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.107 2.955 -6.539 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.930 1.470 -5.166 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.410 3.162 -6.475 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.933 2.274 -5.649 1.00 0.00 N ATOM 0 H HIS A 48 -10.785 3.216 -4.775 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.665 1.427 -3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.715 1.956 -6.237 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.325 0.353 -5.876 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -15.044 0.651 -4.471 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.955 3.927 -7.008 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.921 2.198 -5.409 1.00 0.00 H new ATOM 705 N PRO A 49 -11.301 -0.633 -3.121 1.00 0.00 N ATOM 706 CA PRO A 49 -10.471 -1.788 -2.767 1.00 0.00 C ATOM 707 C PRO A 49 -10.157 -2.667 -3.972 1.00 0.00 C ATOM 708 O PRO A 49 -9.484 -3.690 -3.847 1.00 0.00 O ATOM 709 CB PRO A 49 -11.335 -2.550 -1.759 1.00 0.00 C ATOM 710 CG PRO A 49 -12.734 -2.162 -2.090 1.00 0.00 C ATOM 711 CD PRO A 49 -12.666 -0.741 -2.578 1.00 0.00 C ATOM 0 HA PRO A 49 -9.500 -1.487 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.191 -3.627 -1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.081 -2.278 -0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.150 -2.818 -2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.379 -2.244 -1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.419 -0.541 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.835 -0.030 -1.769 1.00 0.00 H new ATOM 719 N GLU A 50 -10.649 -2.262 -5.139 1.00 0.00 N ATOM 720 CA GLU A 50 -10.420 -3.016 -6.367 1.00 0.00 C ATOM 721 C GLU A 50 -9.410 -2.304 -7.262 1.00 0.00 C ATOM 722 O GLU A 50 -8.696 -2.939 -8.036 1.00 0.00 O ATOM 723 CB GLU A 50 -11.736 -3.215 -7.122 1.00 0.00 C ATOM 724 CG GLU A 50 -12.834 -3.840 -6.277 1.00 0.00 C ATOM 725 CD GLU A 50 -14.222 -3.421 -6.721 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.454 -2.204 -6.873 1.00 0.00 O ATOM 727 OE2 GLU A 50 -15.075 -4.312 -6.917 1.00 0.00 O ATOM 0 H GLU A 50 -11.208 -1.417 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.015 -3.990 -6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.081 -2.250 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.554 -3.847 -7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.753 -4.926 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.690 -3.558 -5.234 1.00 0.00 H new ATOM 734 N GLU A 51 -9.358 -0.980 -7.149 1.00 0.00 N ATOM 735 CA GLU A 51 -8.437 -0.181 -7.949 1.00 0.00 C ATOM 736 C GLU A 51 -7.179 0.157 -7.154 1.00 0.00 C ATOM 737 O GLU A 51 -6.068 0.123 -7.685 1.00 0.00 O ATOM 738 CB GLU A 51 -9.118 1.106 -8.418 1.00 0.00 C ATOM 739 CG GLU A 51 -10.392 0.866 -9.210 1.00 0.00 C ATOM 740 CD GLU A 51 -11.327 2.060 -9.186 1.00 0.00 C ATOM 741 OE1 GLU A 51 -11.191 2.900 -8.272 1.00 0.00 O ATOM 742 OE2 GLU A 51 -12.195 2.153 -10.079 1.00 0.00 O ATOM 0 H GLU A 51 -9.942 -0.439 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.149 -0.769 -8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.351 1.721 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.419 1.674 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.135 0.631 -10.243 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.909 -0.004 -8.805 1.00 0.00 H new ATOM 749 N PHE A 52 -7.361 0.483 -5.879 1.00 0.00 N ATOM 750 CA PHE A 52 -6.242 0.829 -5.011 1.00 0.00 C ATOM 751 C PHE A 52 -5.068 -0.120 -5.233 1.00 0.00 C ATOM 752 O PHE A 52 -5.008 -1.199 -4.644 1.00 0.00 O ATOM 753 CB PHE A 52 -6.675 0.788 -3.544 1.00 0.00 C ATOM 754 CG PHE A 52 -5.787 1.587 -2.634 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.409 2.877 -2.971 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.331 1.050 -1.441 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.592 3.615 -2.136 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.513 1.783 -0.602 1.00 0.00 C ATOM 759 CZ PHE A 52 -4.144 3.067 -0.949 1.00 0.00 C ATOM 0 H PHE A 52 -8.273 0.515 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.921 1.841 -5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.695 1.163 -3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.689 -0.248 -3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.757 3.310 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.618 0.047 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.304 4.619 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.163 1.352 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.506 3.642 -0.294 1.00 0.00 H new ATOM 769 N ASN A 53 -4.136 0.290 -6.087 1.00 0.00 N ATOM 770 CA ASN A 53 -2.963 -0.523 -6.388 1.00 0.00 C ATOM 771 C ASN A 53 -1.698 0.329 -6.398 1.00 0.00 C ATOM 772 O ASN A 53 -1.761 1.553 -6.519 1.00 0.00 O ATOM 773 CB ASN A 53 -3.133 -1.218 -7.741 1.00 0.00 C ATOM 774 CG ASN A 53 -3.978 -2.474 -7.643 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.790 -3.294 -6.744 1.00 0.00 O ATOM 776 ND2 ASN A 53 -4.916 -2.630 -8.570 1.00 0.00 N ATOM 0 H ASN A 53 -4.170 1.181 -6.583 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.865 -1.278 -5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.595 -0.527 -8.446 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.152 -1.474 -8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.516 -3.455 -8.555 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.037 -1.925 -9.297 1.00 0.00 H new ATOM 783 N CYS A 54 -0.549 -0.326 -6.268 1.00 0.00 N ATOM 784 CA CYS A 54 0.732 0.369 -6.262 1.00 0.00 C ATOM 785 C CYS A 54 0.941 1.136 -7.564 1.00 0.00 C ATOM 786 O CYS A 54 0.172 0.989 -8.514 1.00 0.00 O ATOM 787 CB CYS A 54 1.875 -0.626 -6.054 1.00 0.00 C ATOM 788 SG CYS A 54 3.343 0.087 -5.244 1.00 0.00 S ATOM 0 H CYS A 54 -0.479 -1.338 -6.165 1.00 0.00 H new ATOM 0 HA CYS A 54 0.726 1.082 -5.438 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.512 -1.460 -5.454 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.169 -1.033 -7.022 1.00 0.00 H new ATOM 793 N ALA A 55 1.987 1.955 -7.601 1.00 0.00 N ATOM 794 CA ALA A 55 2.300 2.744 -8.786 1.00 0.00 C ATOM 795 C ALA A 55 3.352 2.050 -9.645 1.00 0.00 C ATOM 796 O ALA A 55 3.446 2.296 -10.848 1.00 0.00 O ATOM 797 CB ALA A 55 2.774 4.133 -8.387 1.00 0.00 C ATOM 0 H ALA A 55 2.633 2.089 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 55 1.390 2.840 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.004 4.710 -9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.990 4.637 -7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.669 4.049 -7.770 1.00 0.00 H new ATOM 803 N HIS A 56 4.142 1.183 -9.020 1.00 0.00 N ATOM 804 CA HIS A 56 5.188 0.454 -9.728 1.00 0.00 C ATOM 805 C HIS A 56 4.806 -1.012 -9.902 1.00 0.00 C ATOM 806 O HIS A 56 4.719 -1.513 -11.024 1.00 0.00 O ATOM 807 CB HIS A 56 6.514 0.562 -8.974 1.00 0.00 C ATOM 808 CG HIS A 56 7.633 -0.197 -9.618 1.00 0.00 C ATOM 809 ND1 HIS A 56 7.679 -1.457 -10.112 1.00 0.00 N flip ATOM 810 CD2 HIS A 56 8.890 0.336 -9.812 1.00 0.00 C flip ATOM 811 CE1 HIS A 56 8.950 -1.659 -10.592 1.00 0.00 C flip ATOM 812 NE2 HIS A 56 9.660 -0.562 -10.399 1.00 0.00 N flip ATOM 0 H HIS A 56 4.078 0.968 -8.025 1.00 0.00 H new ATOM 0 HA HIS A 56 5.303 0.901 -10.716 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.795 1.612 -8.898 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.375 0.195 -7.957 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.197 1.332 -9.528 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.310 -2.567 -11.052 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.637 -0.431 -10.659 1.00 0.00 H new ATOM 821 N CYS A 57 4.579 -1.696 -8.786 1.00 0.00 N ATOM 822 CA CYS A 57 4.207 -3.106 -8.814 1.00 0.00 C ATOM 823 C CYS A 57 2.707 -3.268 -9.043 1.00 0.00 C ATOM 824 O CYS A 57 2.199 -4.386 -9.134 1.00 0.00 O ATOM 825 CB CYS A 57 4.611 -3.788 -7.505 1.00 0.00 C ATOM 826 SG CYS A 57 3.648 -3.247 -6.057 1.00 0.00 S ATOM 0 H CYS A 57 4.646 -1.297 -7.850 1.00 0.00 H new ATOM 0 HA CYS A 57 4.736 -3.579 -9.641 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.499 -4.866 -7.620 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.667 -3.595 -7.318 1.00 0.00 H new ATOM 831 N LYS A 58 2.004 -2.145 -9.135 1.00 0.00 N ATOM 832 CA LYS A 58 0.562 -2.160 -9.355 1.00 0.00 C ATOM 833 C LYS A 58 -0.082 -3.352 -8.655 1.00 0.00 C ATOM 834 O LYS A 58 -0.839 -4.107 -9.264 1.00 0.00 O ATOM 835 CB LYS A 58 0.255 -2.208 -10.854 1.00 0.00 C ATOM 836 CG LYS A 58 0.890 -1.076 -11.642 1.00 0.00 C ATOM 837 CD LYS A 58 -0.009 0.149 -11.682 1.00 0.00 C ATOM 838 CE LYS A 58 -1.093 0.009 -12.739 1.00 0.00 C ATOM 839 NZ LYS A 58 -2.203 0.980 -12.528 1.00 0.00 N ATOM 0 H LYS A 58 2.409 -1.212 -9.061 1.00 0.00 H new ATOM 0 HA LYS A 58 0.145 -1.245 -8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.602 -3.159 -11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.825 -2.177 -10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.847 -0.811 -11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.096 -1.410 -12.659 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.469 0.296 -10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.591 1.035 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.659 0.163 -13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.490 -1.006 -12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.921 0.852 -13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.634 0.817 -11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.829 1.949 -12.572 1.00 0.00 H new ATOM 853 N ASN A 59 0.222 -3.514 -7.371 1.00 0.00 N ATOM 854 CA ASN A 59 -0.329 -4.614 -6.588 1.00 0.00 C ATOM 855 C ASN A 59 -1.340 -4.102 -5.567 1.00 0.00 C ATOM 856 O ASN A 59 -1.398 -2.906 -5.279 1.00 0.00 O ATOM 857 CB ASN A 59 0.793 -5.372 -5.876 1.00 0.00 C ATOM 858 CG ASN A 59 1.477 -6.378 -6.781 1.00 0.00 C ATOM 859 OD1 ASN A 59 0.829 -7.043 -7.589 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.793 -6.493 -6.649 1.00 0.00 N ATOM 0 H ASN A 59 0.847 -2.898 -6.851 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.841 -5.293 -7.270 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.531 -4.660 -5.506 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.384 -5.888 -5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.308 -7.153 -7.231 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.289 -5.921 -5.966 1.00 0.00 H new ATOM 867 N THR A 60 -2.137 -5.016 -5.022 1.00 0.00 N ATOM 868 CA THR A 60 -3.147 -4.657 -4.034 1.00 0.00 C ATOM 869 C THR A 60 -2.507 -4.057 -2.787 1.00 0.00 C ATOM 870 O THR A 60 -1.743 -4.722 -2.089 1.00 0.00 O ATOM 871 CB THR A 60 -3.992 -5.879 -3.626 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.997 -5.487 -2.684 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.116 -6.965 -3.019 1.00 0.00 C ATOM 0 H THR A 60 -2.103 -6.010 -5.248 1.00 0.00 H new ATOM 0 HA THR A 60 -3.795 -3.915 -4.499 1.00 0.00 H new ATOM 0 HB THR A 60 -4.469 -6.278 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.531 -6.269 -2.431 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.735 -7.817 -2.739 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.371 -7.282 -3.749 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.614 -6.575 -2.134 1.00 0.00 H new ATOM 881 N MET A 61 -2.826 -2.796 -2.513 1.00 0.00 N ATOM 882 CA MET A 61 -2.283 -2.107 -1.348 1.00 0.00 C ATOM 883 C MET A 61 -3.341 -1.965 -0.258 1.00 0.00 C ATOM 884 O MET A 61 -3.424 -0.934 0.408 1.00 0.00 O ATOM 885 CB MET A 61 -1.754 -0.728 -1.745 1.00 0.00 C ATOM 886 CG MET A 61 -0.584 -0.781 -2.713 1.00 0.00 C ATOM 887 SD MET A 61 0.440 0.702 -2.648 1.00 0.00 S ATOM 888 CE MET A 61 -0.733 1.947 -3.180 1.00 0.00 C ATOM 0 H MET A 61 -3.457 -2.231 -3.081 1.00 0.00 H new ATOM 0 HA MET A 61 -1.460 -2.704 -0.955 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.563 -0.154 -2.197 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.447 -0.193 -0.846 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.031 -1.652 -2.486 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.962 -0.912 -3.727 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.318 2.502 -4.021 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.662 1.465 -3.486 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.934 2.633 -2.357 1.00 0.00 H new ATOM 898 N ALA A 62 -4.148 -3.007 -0.084 1.00 0.00 N ATOM 899 CA ALA A 62 -5.199 -2.998 0.926 1.00 0.00 C ATOM 900 C ALA A 62 -4.660 -3.437 2.283 1.00 0.00 C ATOM 901 O ALA A 62 -4.782 -2.715 3.274 1.00 0.00 O ATOM 902 CB ALA A 62 -6.350 -3.896 0.498 1.00 0.00 C ATOM 0 H ALA A 62 -4.094 -3.867 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.566 -1.976 1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.128 -3.880 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.760 -3.537 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.988 -4.916 0.371 1.00 0.00 H new ATOM 908 N TYR A 63 -4.065 -4.624 2.323 1.00 0.00 N ATOM 909 CA TYR A 63 -3.510 -5.160 3.560 1.00 0.00 C ATOM 910 C TYR A 63 -2.155 -4.530 3.867 1.00 0.00 C ATOM 911 O TYR A 63 -1.959 -3.941 4.930 1.00 0.00 O ATOM 912 CB TYR A 63 -3.368 -6.680 3.463 1.00 0.00 C ATOM 913 CG TYR A 63 -4.657 -7.387 3.109 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.087 -7.471 1.790 1.00 0.00 C ATOM 915 CD2 TYR A 63 -5.444 -7.972 4.093 1.00 0.00 C ATOM 916 CE1 TYR A 63 -6.264 -8.115 1.463 1.00 0.00 C ATOM 917 CE2 TYR A 63 -6.622 -8.619 3.775 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.028 -8.688 2.458 1.00 0.00 C ATOM 919 OH TYR A 63 -8.201 -9.332 2.136 1.00 0.00 O ATOM 0 H TYR A 63 -3.955 -5.233 1.513 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.196 -4.917 4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.614 -6.919 2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.002 -7.064 4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.491 -7.025 1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.129 -7.920 5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.585 -8.170 0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.222 -9.068 4.553 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.617 -9.681 2.952 1.00 0.00 H new ATOM 929 N ILE A 64 -1.223 -4.660 2.928 1.00 0.00 N ATOM 930 CA ILE A 64 0.113 -4.102 3.097 1.00 0.00 C ATOM 931 C ILE A 64 0.062 -2.585 3.239 1.00 0.00 C ATOM 932 O ILE A 64 -0.991 -1.971 3.074 1.00 0.00 O ATOM 933 CB ILE A 64 1.028 -4.465 1.913 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.418 -3.972 0.599 1.00 0.00 C ATOM 935 CG2 ILE A 64 1.261 -5.968 1.864 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.311 -4.191 -0.602 1.00 0.00 C ATOM 0 H ILE A 64 -1.369 -5.146 2.043 1.00 0.00 H new ATOM 0 HA ILE A 64 0.523 -4.536 4.009 1.00 0.00 H new ATOM 0 HB ILE A 64 1.990 -3.973 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.531 -4.483 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.196 -2.908 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.910 -6.208 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.734 -6.293 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.306 -6.480 1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.814 -3.818 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.251 -3.657 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.512 -5.256 -0.716 1.00 0.00 H new ATOM 948 N GLY A 65 1.209 -1.985 3.546 1.00 0.00 N ATOM 949 CA GLY A 65 1.273 -0.544 3.703 1.00 0.00 C ATOM 950 C GLY A 65 1.630 0.165 2.412 1.00 0.00 C ATOM 951 O GLY A 65 1.618 -0.440 1.339 1.00 0.00 O ATOM 0 H GLY A 65 2.094 -2.471 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.311 -0.178 4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.012 -0.297 4.466 1.00 0.00 H new ATOM 955 N PHE A 66 1.947 1.451 2.513 1.00 0.00 N ATOM 956 CA PHE A 66 2.306 2.245 1.343 1.00 0.00 C ATOM 957 C PHE A 66 2.914 3.581 1.758 1.00 0.00 C ATOM 958 O PHE A 66 2.644 4.087 2.847 1.00 0.00 O ATOM 959 CB PHE A 66 1.076 2.482 0.464 1.00 0.00 C ATOM 960 CG PHE A 66 -0.121 2.974 1.228 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.086 4.192 1.886 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.280 2.218 1.287 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.185 4.647 2.590 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.383 2.667 1.990 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.335 3.884 2.641 1.00 0.00 C ATOM 0 H PHE A 66 1.963 1.966 3.393 1.00 0.00 H new ATOM 0 HA PHE A 66 3.050 1.689 0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.327 3.208 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.817 1.552 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.810 4.793 1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.323 1.266 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.144 5.598 3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.280 2.067 2.030 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.195 4.238 3.189 1.00 0.00 H new ATOM 975 N VAL A 67 3.737 4.147 0.881 1.00 0.00 N ATOM 976 CA VAL A 67 4.384 5.425 1.155 1.00 0.00 C ATOM 977 C VAL A 67 4.170 6.406 0.008 1.00 0.00 C ATOM 978 O VAL A 67 4.401 6.076 -1.155 1.00 0.00 O ATOM 979 CB VAL A 67 5.896 5.250 1.390 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.566 6.600 1.592 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.147 4.337 2.582 1.00 0.00 C ATOM 0 H VAL A 67 3.971 3.741 -0.025 1.00 0.00 H new ATOM 0 HA VAL A 67 3.927 5.823 2.061 1.00 0.00 H new ATOM 0 HB VAL A 67 6.332 4.785 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.634 6.455 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.416 7.217 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.129 7.097 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.220 4.224 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.698 4.772 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.703 3.360 2.392 1.00 0.00 H new ATOM 991 N GLU A 68 3.728 7.614 0.344 1.00 0.00 N ATOM 992 CA GLU A 68 3.482 8.643 -0.659 1.00 0.00 C ATOM 993 C GLU A 68 4.761 9.414 -0.972 1.00 0.00 C ATOM 994 O GLU A 68 5.561 9.696 -0.080 1.00 0.00 O ATOM 995 CB GLU A 68 2.397 9.608 -0.177 1.00 0.00 C ATOM 996 CG GLU A 68 2.408 10.946 -0.898 1.00 0.00 C ATOM 997 CD GLU A 68 3.278 11.975 -0.203 1.00 0.00 C ATOM 998 OE1 GLU A 68 2.934 12.378 0.927 1.00 0.00 O ATOM 999 OE2 GLU A 68 4.304 12.377 -0.791 1.00 0.00 O ATOM 0 H GLU A 68 3.533 7.904 1.302 1.00 0.00 H new ATOM 0 HA GLU A 68 3.142 8.152 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.421 9.141 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.524 9.780 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.766 10.802 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.389 11.325 -0.968 1.00 0.00 H new ATOM 1006 N GLU A 69 4.946 9.751 -2.244 1.00 0.00 N ATOM 1007 CA GLU A 69 6.129 10.488 -2.675 1.00 0.00 C ATOM 1008 C GLU A 69 5.866 11.219 -3.988 1.00 0.00 C ATOM 1009 O GLU A 69 5.809 10.605 -5.054 1.00 0.00 O ATOM 1010 CB GLU A 69 7.318 9.539 -2.836 1.00 0.00 C ATOM 1011 CG GLU A 69 8.532 10.188 -3.480 1.00 0.00 C ATOM 1012 CD GLU A 69 9.531 9.171 -3.998 1.00 0.00 C ATOM 1013 OE1 GLU A 69 9.181 8.416 -4.929 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.662 9.131 -3.471 1.00 0.00 O ATOM 0 H GLU A 69 4.293 9.526 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 69 6.364 11.227 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.600 9.153 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.011 8.684 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.206 10.823 -4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.022 10.835 -2.753 1.00 0.00 H new ATOM 1021 N LYS A 70 5.707 12.536 -3.904 1.00 0.00 N ATOM 1022 CA LYS A 70 5.451 13.353 -5.084 1.00 0.00 C ATOM 1023 C LYS A 70 4.259 12.816 -5.870 1.00 0.00 C ATOM 1024 O LYS A 70 4.291 12.752 -7.098 1.00 0.00 O ATOM 1025 CB LYS A 70 6.690 13.393 -5.981 1.00 0.00 C ATOM 1026 CG LYS A 70 7.854 14.159 -5.377 1.00 0.00 C ATOM 1027 CD LYS A 70 7.577 15.653 -5.337 1.00 0.00 C ATOM 1028 CE LYS A 70 8.867 16.457 -5.276 1.00 0.00 C ATOM 1029 NZ LYS A 70 9.626 16.193 -4.022 1.00 0.00 N ATOM 0 H LYS A 70 5.751 13.060 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 70 5.218 14.364 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.008 12.372 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.423 13.847 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.045 13.796 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.756 13.971 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.008 15.942 -6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.960 15.887 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.490 16.211 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.636 17.520 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.498 16.759 -4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.042 16.452 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.869 15.183 -3.969 1.00 0.00 H new ATOM 1043 N GLY A 71 3.207 12.431 -5.153 1.00 0.00 N ATOM 1044 CA GLY A 71 2.020 11.906 -5.800 1.00 0.00 C ATOM 1045 C GLY A 71 2.210 10.487 -6.298 1.00 0.00 C ATOM 1046 O GLY A 71 1.918 10.183 -7.454 1.00 0.00 O ATOM 0 H GLY A 71 3.157 12.474 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.186 11.933 -5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.753 12.549 -6.638 1.00 0.00 H new ATOM 1050 N ALA A 72 2.703 9.616 -5.423 1.00 0.00 N ATOM 1051 CA ALA A 72 2.932 8.221 -5.780 1.00 0.00 C ATOM 1052 C ALA A 72 2.967 7.336 -4.539 1.00 0.00 C ATOM 1053 O ALA A 72 3.749 7.572 -3.617 1.00 0.00 O ATOM 1054 CB ALA A 72 4.228 8.083 -6.566 1.00 0.00 C ATOM 0 H ALA A 72 2.951 9.852 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 72 2.103 7.891 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.386 7.036 -6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.166 8.678 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.061 8.436 -5.958 1.00 0.00 H new ATOM 1060 N LEU A 73 2.116 6.316 -4.522 1.00 0.00 N ATOM 1061 CA LEU A 73 2.050 5.394 -3.393 1.00 0.00 C ATOM 1062 C LEU A 73 2.906 4.158 -3.648 1.00 0.00 C ATOM 1063 O LEU A 73 2.698 3.437 -4.624 1.00 0.00 O ATOM 1064 CB LEU A 73 0.600 4.980 -3.132 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.363 6.107 -2.759 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.780 5.574 -2.620 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.083 6.785 -1.472 1.00 0.00 C ATOM 0 H LEU A 73 1.462 6.106 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 73 2.439 5.907 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.219 4.484 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.593 4.242 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.353 6.848 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.451 6.390 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.098 5.136 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.808 4.813 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.614 7.585 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.102 6.054 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.081 7.203 -1.608 1.00 0.00 H new ATOM 1079 N TYR A 74 3.866 3.917 -2.763 1.00 0.00 N ATOM 1080 CA TYR A 74 4.754 2.768 -2.892 1.00 0.00 C ATOM 1081 C TYR A 74 4.622 1.839 -1.689 1.00 0.00 C ATOM 1082 O TYR A 74 4.822 2.252 -0.546 1.00 0.00 O ATOM 1083 CB TYR A 74 6.205 3.231 -3.036 1.00 0.00 C ATOM 1084 CG TYR A 74 6.443 4.111 -4.242 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.526 3.568 -5.518 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.585 5.487 -4.105 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.743 4.368 -6.622 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.802 6.295 -5.204 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.880 5.731 -6.461 1.00 0.00 C ATOM 1090 OH TYR A 74 7.097 6.533 -7.558 1.00 0.00 O ATOM 0 H TYR A 74 4.049 4.502 -1.948 1.00 0.00 H new ATOM 0 HA TYR A 74 4.465 2.217 -3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.495 3.775 -2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.852 2.356 -3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.419 2.501 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.525 5.932 -3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.805 3.929 -7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.910 7.362 -5.080 1.00 0.00 H new ATOM 0 HH TYR A 74 7.170 7.467 -7.271 1.00 0.00 H new ATOM 1100 N CYS A 75 4.283 0.582 -1.954 1.00 0.00 N ATOM 1101 CA CYS A 75 4.123 -0.407 -0.895 1.00 0.00 C ATOM 1102 C CYS A 75 5.439 -0.629 -0.155 1.00 0.00 C ATOM 1103 O CYS A 75 6.517 -0.510 -0.736 1.00 0.00 O ATOM 1104 CB CYS A 75 3.624 -1.731 -1.477 1.00 0.00 C ATOM 1105 SG CYS A 75 4.803 -2.539 -2.606 1.00 0.00 S ATOM 0 H CYS A 75 4.114 0.224 -2.894 1.00 0.00 H new ATOM 0 HA CYS A 75 3.387 -0.028 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.397 -2.413 -0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.691 -1.552 -2.011 1.00 0.00 H new ATOM 1110 N GLU A 76 5.341 -0.951 1.131 1.00 0.00 N ATOM 1111 CA GLU A 76 6.524 -1.188 1.951 1.00 0.00 C ATOM 1112 C GLU A 76 7.600 -1.920 1.154 1.00 0.00 C ATOM 1113 O GLU A 76 8.786 -1.604 1.255 1.00 0.00 O ATOM 1114 CB GLU A 76 6.155 -1.998 3.195 1.00 0.00 C ATOM 1115 CG GLU A 76 5.218 -3.160 2.909 1.00 0.00 C ATOM 1116 CD GLU A 76 4.369 -3.533 4.109 1.00 0.00 C ATOM 1117 OE1 GLU A 76 4.672 -3.055 5.222 1.00 0.00 O ATOM 1118 OE2 GLU A 76 3.401 -4.303 3.935 1.00 0.00 O ATOM 0 H GLU A 76 4.456 -1.054 1.627 1.00 0.00 H new ATOM 0 HA GLU A 76 6.920 -0.221 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.067 -2.382 3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.687 -1.336 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.567 -2.900 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.803 -4.026 2.599 1.00 0.00 H new ATOM 1125 N LEU A 77 7.178 -2.900 0.363 1.00 0.00 N ATOM 1126 CA LEU A 77 8.105 -3.678 -0.452 1.00 0.00 C ATOM 1127 C LEU A 77 8.917 -2.771 -1.370 1.00 0.00 C ATOM 1128 O LEU A 77 10.145 -2.727 -1.289 1.00 0.00 O ATOM 1129 CB LEU A 77 7.341 -4.711 -1.282 1.00 0.00 C ATOM 1130 CG LEU A 77 6.415 -5.647 -0.504 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.371 -6.255 -1.427 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.219 -6.738 0.188 1.00 0.00 C ATOM 0 H LEU A 77 6.200 -3.175 0.268 1.00 0.00 H new ATOM 0 HA LEU A 77 8.793 -4.195 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.747 -4.181 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.065 -5.318 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 77 5.899 -5.064 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.722 -6.918 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.774 -5.460 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.867 -6.823 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.544 -7.395 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.763 -7.318 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.927 -6.284 0.881 1.00 0.00 H new ATOM 1144 N CYS A 78 8.224 -2.046 -2.242 1.00 0.00 N ATOM 1145 CA CYS A 78 8.880 -1.138 -3.175 1.00 0.00 C ATOM 1146 C CYS A 78 9.781 -0.154 -2.434 1.00 0.00 C ATOM 1147 O CYS A 78 10.947 0.023 -2.787 1.00 0.00 O ATOM 1148 CB CYS A 78 7.837 -0.374 -3.994 1.00 0.00 C ATOM 1149 SG CYS A 78 7.040 -1.369 -5.295 1.00 0.00 S ATOM 0 H CYS A 78 7.207 -2.070 -2.322 1.00 0.00 H new ATOM 0 HA CYS A 78 9.497 -1.732 -3.849 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.069 0.006 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.314 0.491 -4.454 1.00 0.00 H new ATOM 1154 N TYR A 79 9.232 0.481 -1.404 1.00 0.00 N ATOM 1155 CA TYR A 79 9.985 1.448 -0.614 1.00 0.00 C ATOM 1156 C TYR A 79 11.272 0.830 -0.078 1.00 0.00 C ATOM 1157 O TYR A 79 12.371 1.246 -0.441 1.00 0.00 O ATOM 1158 CB TYR A 79 9.132 1.965 0.546 1.00 0.00 C ATOM 1159 CG TYR A 79 9.850 2.961 1.428 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.820 2.546 2.332 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.558 4.318 1.357 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.477 3.453 3.141 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.212 5.232 2.161 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.170 4.795 3.051 1.00 0.00 C ATOM 1165 OH TYR A 79 11.824 5.701 3.854 1.00 0.00 O ATOM 0 H TYR A 79 8.269 0.344 -1.097 1.00 0.00 H new ATOM 0 HA TYR A 79 10.248 2.283 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.232 2.430 0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.810 1.120 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.065 1.496 2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.807 4.664 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.227 3.113 3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.974 6.283 2.093 1.00 0.00 H new ATOM 0 HH TYR A 79 12.202 6.416 3.300 1.00 0.00 H new ATOM 1175 N GLU A 80 11.125 -0.168 0.789 1.00 0.00 N ATOM 1176 CA GLU A 80 12.276 -0.844 1.376 1.00 0.00 C ATOM 1177 C GLU A 80 13.258 -1.285 0.295 1.00 0.00 C ATOM 1178 O GLU A 80 14.446 -1.471 0.557 1.00 0.00 O ATOM 1179 CB GLU A 80 11.821 -2.056 2.192 1.00 0.00 C ATOM 1180 CG GLU A 80 12.939 -2.708 2.988 1.00 0.00 C ATOM 1181 CD GLU A 80 13.111 -2.094 4.364 1.00 0.00 C ATOM 1182 OE1 GLU A 80 12.871 -0.877 4.505 1.00 0.00 O ATOM 1183 OE2 GLU A 80 13.486 -2.832 5.299 1.00 0.00 O ATOM 0 H GLU A 80 10.222 -0.525 1.100 1.00 0.00 H new ATOM 0 HA GLU A 80 12.782 -0.139 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.031 -1.747 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.387 -2.795 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.732 -3.773 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.874 -2.618 2.435 1.00 0.00 H new ATOM 1190 N LYS A 81 12.753 -1.452 -0.923 1.00 0.00 N ATOM 1191 CA LYS A 81 13.583 -1.870 -2.046 1.00 0.00 C ATOM 1192 C LYS A 81 14.386 -0.696 -2.596 1.00 0.00 C ATOM 1193 O LYS A 81 15.595 -0.801 -2.806 1.00 0.00 O ATOM 1194 CB LYS A 81 12.714 -2.471 -3.153 1.00 0.00 C ATOM 1195 CG LYS A 81 12.515 -3.971 -3.024 1.00 0.00 C ATOM 1196 CD LYS A 81 11.294 -4.440 -3.797 1.00 0.00 C ATOM 1197 CE LYS A 81 11.551 -4.445 -5.296 1.00 0.00 C ATOM 1198 NZ LYS A 81 11.311 -3.107 -5.905 1.00 0.00 N ATOM 0 H LYS A 81 11.771 -1.304 -1.157 1.00 0.00 H new ATOM 0 HA LYS A 81 14.280 -2.628 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.740 -1.982 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.171 -2.255 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.401 -4.489 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.405 -4.235 -1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.019 -5.443 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.449 -3.789 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.579 -4.752 -5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.905 -5.182 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.589 -3.189 -6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.981 -2.446 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.196 -2.750 -6.319 1.00 0.00 H new ATOM 1212 N PHE A 82 13.708 0.423 -2.826 1.00 0.00 N ATOM 1213 CA PHE A 82 14.359 1.618 -3.351 1.00 0.00 C ATOM 1214 C PHE A 82 14.913 2.478 -2.218 1.00 0.00 C ATOM 1215 O PHE A 82 16.105 2.782 -2.181 1.00 0.00 O ATOM 1216 CB PHE A 82 13.374 2.434 -4.191 1.00 0.00 C ATOM 1217 CG PHE A 82 12.667 1.625 -5.240 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.358 1.132 -6.336 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.312 1.356 -5.131 1.00 0.00 C ATOM 1220 CE1 PHE A 82 12.709 0.388 -7.303 1.00 0.00 C ATOM 1221 CE2 PHE A 82 10.659 0.612 -6.095 1.00 0.00 C ATOM 1222 CZ PHE A 82 11.358 0.127 -7.182 1.00 0.00 C ATOM 0 H PHE A 82 12.708 0.528 -2.657 1.00 0.00 H new ATOM 0 HA PHE A 82 15.189 1.301 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.633 2.885 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.910 3.251 -4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.415 1.331 -6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.760 1.732 -4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.258 0.011 -8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.602 0.410 -5.998 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.850 -0.455 -7.936 1.00 0.00 H new ATOM 1232 N PHE A 83 14.038 2.867 -1.296 1.00 0.00 N ATOM 1233 CA PHE A 83 14.438 3.692 -0.163 1.00 0.00 C ATOM 1234 C PHE A 83 15.539 3.011 0.644 1.00 0.00 C ATOM 1235 O PHE A 83 16.678 3.477 0.678 1.00 0.00 O ATOM 1236 CB PHE A 83 13.234 3.980 0.736 1.00 0.00 C ATOM 1237 CG PHE A 83 12.420 5.160 0.289 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.589 5.067 -0.816 1.00 0.00 C ATOM 1239 CD2 PHE A 83 12.487 6.363 0.973 1.00 0.00 C ATOM 1240 CE1 PHE A 83 10.838 6.151 -1.230 1.00 0.00 C ATOM 1241 CE2 PHE A 83 11.738 7.451 0.564 1.00 0.00 C ATOM 1242 CZ PHE A 83 10.914 7.345 -0.539 1.00 0.00 C ATOM 0 H PHE A 83 13.048 2.624 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 83 14.826 4.634 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.594 3.098 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.584 4.155 1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.527 4.136 -1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.131 6.452 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.193 6.065 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.797 8.383 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.330 8.194 -0.861 1.00 0.00 H new ATOM 1252 N ALA A 84 15.191 1.906 1.294 1.00 0.00 N ATOM 1253 CA ALA A 84 16.148 1.159 2.100 1.00 0.00 C ATOM 1254 C ALA A 84 17.042 0.288 1.224 1.00 0.00 C ATOM 1255 O ALA A 84 16.874 -0.930 1.167 1.00 0.00 O ATOM 1256 CB ALA A 84 15.421 0.306 3.129 1.00 0.00 C ATOM 0 H ALA A 84 14.252 1.508 1.278 1.00 0.00 H new ATOM 0 HA ALA A 84 16.782 1.875 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 84 16.149 -0.246 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.831 0.948 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.762 -0.396 2.619 1.00 0.00 H new ATOM 1262 N SER A 85 17.992 0.920 0.543 1.00 0.00 N ATOM 1263 CA SER A 85 18.909 0.202 -0.335 1.00 0.00 C ATOM 1264 C SER A 85 19.950 -0.564 0.477 1.00 0.00 C ATOM 1265 O SER A 85 21.021 -0.042 0.785 1.00 0.00 O ATOM 1266 CB SER A 85 19.605 1.176 -1.287 1.00 0.00 C ATOM 1267 OG SER A 85 18.712 1.642 -2.283 1.00 0.00 O ATOM 0 H SER A 85 18.147 1.927 0.582 1.00 0.00 H new ATOM 0 HA SER A 85 18.329 -0.513 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 85 19.999 2.022 -0.723 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.455 0.683 -1.758 1.00 0.00 H new ATOM 0 HG SER A 85 17.898 1.985 -1.858 1.00 0.00 H new ATOM 1273 N GLY A 86 19.625 -1.807 0.821 1.00 0.00 N ATOM 1274 CA GLY A 86 20.541 -2.625 1.594 1.00 0.00 C ATOM 1275 C GLY A 86 21.694 -3.150 0.762 1.00 0.00 C ATOM 1276 O GLY A 86 21.861 -2.788 -0.403 1.00 0.00 O ATOM 0 H GLY A 86 18.745 -2.261 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.934 -2.039 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.997 -3.465 2.026 1.00 0.00 H new ATOM 1280 N PRO A 87 22.515 -4.022 1.364 1.00 0.00 N ATOM 1281 CA PRO A 87 23.674 -4.615 0.689 1.00 0.00 C ATOM 1282 C PRO A 87 23.268 -5.600 -0.401 1.00 0.00 C ATOM 1283 O PRO A 87 22.380 -6.429 -0.203 1.00 0.00 O ATOM 1284 CB PRO A 87 24.409 -5.340 1.819 1.00 0.00 C ATOM 1285 CG PRO A 87 23.355 -5.637 2.829 1.00 0.00 C ATOM 1286 CD PRO A 87 22.376 -4.498 2.751 1.00 0.00 C ATOM 0 HA PRO A 87 24.279 -3.864 0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.882 -6.254 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.198 -4.717 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 87 22.866 -6.587 2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.783 -5.716 3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 87 21.359 -4.827 2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.613 -3.714 3.470 1.00 0.00 H new ATOM 1294 N SER A 88 23.924 -5.504 -1.553 1.00 0.00 N ATOM 1295 CA SER A 88 23.628 -6.385 -2.677 1.00 0.00 C ATOM 1296 C SER A 88 24.749 -7.400 -2.881 1.00 0.00 C ATOM 1297 O SER A 88 25.898 -7.032 -3.124 1.00 0.00 O ATOM 1298 CB SER A 88 23.427 -5.567 -3.955 1.00 0.00 C ATOM 1299 OG SER A 88 22.086 -5.124 -4.070 1.00 0.00 O ATOM 0 H SER A 88 24.664 -4.825 -1.733 1.00 0.00 H new ATOM 0 HA SER A 88 22.708 -6.925 -2.451 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.098 -4.708 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 88 23.689 -6.172 -4.823 1.00 0.00 H new ATOM 0 HG SER A 88 21.983 -4.602 -4.893 1.00 0.00 H new ATOM 1305 N SER A 89 24.405 -8.680 -2.780 1.00 0.00 N ATOM 1306 CA SER A 89 25.382 -9.749 -2.949 1.00 0.00 C ATOM 1307 C SER A 89 26.166 -9.569 -4.245 1.00 0.00 C ATOM 1308 O SER A 89 27.384 -9.737 -4.275 1.00 0.00 O ATOM 1309 CB SER A 89 24.684 -11.111 -2.947 1.00 0.00 C ATOM 1310 OG SER A 89 25.567 -12.137 -3.366 1.00 0.00 O ATOM 0 H SER A 89 23.458 -9.002 -2.582 1.00 0.00 H new ATOM 0 HA SER A 89 26.080 -9.705 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 89 24.314 -11.332 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 89 23.818 -11.080 -3.608 1.00 0.00 H new ATOM 0 HG SER A 89 25.098 -12.997 -3.355 1.00 0.00 H new ATOM 1316 N GLY A 90 25.457 -9.226 -5.316 1.00 0.00 N ATOM 1317 CA GLY A 90 26.102 -9.028 -6.601 1.00 0.00 C ATOM 1318 C GLY A 90 25.898 -7.628 -7.142 1.00 0.00 C ATOM 1319 O GLY A 90 25.063 -7.443 -8.027 1.00 0.00 O ATOM 0 H GLY A 90 24.447 -9.082 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 90 27.170 -9.224 -6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 90 25.710 -9.751 -7.316 1.00 0.00 H new TER 1323 GLY A 90 HETATM 1324 ZN ZN A 201 -12.726 4.021 -7.615 1.00 0.00 ZN HETATM 1325 ZN ZN A 401 4.790 -1.677 -4.771 1.00 0.00 ZN