USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 46 HIS HD1 : A 46 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HD1 : A 49 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 20 GLN : amide:sc= -5.22! C(o=-6.9!,f=-3.3!) USER MOD Set 1.2: A 21 SER OG : rot 179:sc= -1.71! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -57:sc= 0.276 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 11 SER OG : rot 41:sc= 0.1 USER MOD Single : A 12 TYR OH : rot -140:sc= 0.52 USER MOD Single : A 15 ASN : amide:sc= -2.62 K(o=-2.6,f=-10!) USER MOD Single : A 17 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1) USER MOD Single : A 18 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 19 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.56) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 43:sc= 0.444 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 45 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.41) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= -0.251 (180deg=-1.59!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.23! C(o=-1.2!,f=-4.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 130:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -26:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.077 -4.387 9.729 1.00 0.00 N ATOM 2 CA GLY A 1 -19.706 -5.685 10.260 1.00 0.00 C ATOM 3 C GLY A 1 -18.295 -5.703 10.814 1.00 0.00 C ATOM 4 O GLY A 1 -17.389 -6.272 10.206 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.050 -4.427 9.363 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.020 -3.674 10.484 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.427 -4.128 8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.406 -5.966 11.047 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.794 -6.435 9.473 1.00 0.00 H new ATOM 8 N SER A 2 -18.108 -5.077 11.972 1.00 0.00 N ATOM 9 CA SER A 2 -16.796 -5.019 12.606 1.00 0.00 C ATOM 10 C SER A 2 -16.841 -5.626 14.004 1.00 0.00 C ATOM 11 O SER A 2 -16.976 -4.913 14.999 1.00 0.00 O ATOM 12 CB SER A 2 -16.306 -3.572 12.681 1.00 0.00 C ATOM 13 OG SER A 2 -14.907 -3.517 12.898 1.00 0.00 O ATOM 0 H SER A 2 -18.848 -4.603 12.490 1.00 0.00 H new ATOM 0 HA SER A 2 -16.101 -5.599 11.999 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.554 -3.053 11.755 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.823 -3.051 13.487 1.00 0.00 H new ATOM 0 HG SER A 2 -14.619 -2.581 12.940 1.00 0.00 H new ATOM 19 N SER A 3 -16.726 -6.949 14.073 1.00 0.00 N ATOM 20 CA SER A 3 -16.757 -7.654 15.349 1.00 0.00 C ATOM 21 C SER A 3 -15.408 -8.302 15.644 1.00 0.00 C ATOM 22 O SER A 3 -15.341 -9.436 16.117 1.00 0.00 O ATOM 23 CB SER A 3 -17.856 -8.719 15.340 1.00 0.00 C ATOM 24 OG SER A 3 -19.136 -8.130 15.185 1.00 0.00 O ATOM 0 H SER A 3 -16.611 -7.554 13.260 1.00 0.00 H new ATOM 0 HA SER A 3 -16.971 -6.927 16.133 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.676 -9.425 14.529 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.824 -9.287 16.270 1.00 0.00 H new ATOM 0 HG SER A 3 -19.820 -8.831 15.181 1.00 0.00 H new ATOM 30 N GLY A 4 -14.333 -7.572 15.362 1.00 0.00 N ATOM 31 CA GLY A 4 -13.000 -8.091 15.604 1.00 0.00 C ATOM 32 C GLY A 4 -12.310 -8.533 14.328 1.00 0.00 C ATOM 33 O GLY A 4 -11.751 -9.628 14.265 1.00 0.00 O ATOM 0 H GLY A 4 -14.362 -6.631 14.970 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.398 -7.325 16.092 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.061 -8.935 16.292 1.00 0.00 H new ATOM 37 N SER A 5 -12.350 -7.681 13.309 1.00 0.00 N ATOM 38 CA SER A 5 -11.729 -7.993 12.027 1.00 0.00 C ATOM 39 C SER A 5 -12.389 -9.210 11.385 1.00 0.00 C ATOM 40 O SER A 5 -11.717 -10.053 10.791 1.00 0.00 O ATOM 41 CB SER A 5 -10.232 -8.248 12.211 1.00 0.00 C ATOM 42 OG SER A 5 -9.562 -8.270 10.962 1.00 0.00 O ATOM 0 H SER A 5 -12.806 -6.769 13.346 1.00 0.00 H new ATOM 0 HA SER A 5 -11.866 -7.137 11.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.803 -7.472 12.844 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.082 -9.198 12.725 1.00 0.00 H new ATOM 0 HG SER A 5 -9.964 -8.954 10.387 1.00 0.00 H new ATOM 48 N SER A 6 -13.710 -9.294 11.510 1.00 0.00 N ATOM 49 CA SER A 6 -14.461 -10.409 10.946 1.00 0.00 C ATOM 50 C SER A 6 -14.652 -10.230 9.443 1.00 0.00 C ATOM 51 O SER A 6 -14.633 -11.199 8.684 1.00 0.00 O ATOM 52 CB SER A 6 -15.823 -10.533 11.633 1.00 0.00 C ATOM 53 OG SER A 6 -16.550 -9.320 11.546 1.00 0.00 O ATOM 0 H SER A 6 -14.282 -8.603 11.997 1.00 0.00 H new ATOM 0 HA SER A 6 -13.891 -11.322 11.116 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.395 -11.337 11.171 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.683 -10.802 12.680 1.00 0.00 H new ATOM 0 HG SER A 6 -17.417 -9.426 11.991 1.00 0.00 H new ATOM 59 N GLY A 7 -14.835 -8.983 9.019 1.00 0.00 N ATOM 60 CA GLY A 7 -15.026 -8.699 7.609 1.00 0.00 C ATOM 61 C GLY A 7 -13.757 -8.213 6.938 1.00 0.00 C ATOM 62 O GLY A 7 -13.149 -8.936 6.149 1.00 0.00 O ATOM 0 H GLY A 7 -14.854 -8.164 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.378 -9.599 7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.805 -7.945 7.496 1.00 0.00 H new ATOM 66 N GLN A 8 -13.358 -6.985 7.251 1.00 0.00 N ATOM 67 CA GLN A 8 -12.154 -6.402 6.670 1.00 0.00 C ATOM 68 C GLN A 8 -11.703 -5.180 7.463 1.00 0.00 C ATOM 69 O GLN A 8 -12.511 -4.313 7.801 1.00 0.00 O ATOM 70 CB GLN A 8 -12.401 -6.015 5.211 1.00 0.00 C ATOM 71 CG GLN A 8 -13.522 -5.005 5.032 1.00 0.00 C ATOM 72 CD GLN A 8 -13.900 -4.804 3.578 1.00 0.00 C ATOM 73 OE1 GLN A 8 -13.857 -3.687 3.061 1.00 0.00 O ATOM 74 NE2 GLN A 8 -14.274 -5.889 2.908 1.00 0.00 N ATOM 0 H GLN A 8 -13.850 -6.374 7.903 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.363 -7.151 6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.482 -5.604 4.792 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.638 -6.913 4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.398 -5.338 5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.217 -4.050 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.295 -6.795 3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.540 -5.816 1.926 1.00 0.00 H new ATOM 83 N LEU A 9 -10.409 -5.116 7.759 1.00 0.00 N ATOM 84 CA LEU A 9 -9.851 -4.000 8.513 1.00 0.00 C ATOM 85 C LEU A 9 -10.543 -2.692 8.143 1.00 0.00 C ATOM 86 O LEU A 9 -11.085 -2.536 7.048 1.00 0.00 O ATOM 87 CB LEU A 9 -8.347 -3.885 8.254 1.00 0.00 C ATOM 88 CG LEU A 9 -7.465 -4.921 8.951 1.00 0.00 C ATOM 89 CD1 LEU A 9 -6.123 -5.040 8.246 1.00 0.00 C ATOM 90 CD2 LEU A 9 -7.270 -4.556 10.416 1.00 0.00 C ATOM 0 H LEU A 9 -9.727 -5.824 7.488 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.018 -4.191 9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.177 -3.956 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.020 -2.892 8.563 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.965 -5.888 8.902 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.509 -5.782 8.756 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.281 -5.348 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.616 -4.075 8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.640 -5.304 10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.792 -3.579 10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.239 -4.523 10.915 1.00 0.00 H new ATOM 102 N PRO A 10 -10.525 -1.728 9.076 1.00 0.00 N ATOM 103 CA PRO A 10 -11.145 -0.416 8.870 1.00 0.00 C ATOM 104 C PRO A 10 -10.392 0.426 7.845 1.00 0.00 C ATOM 105 O PRO A 10 -9.170 0.338 7.732 1.00 0.00 O ATOM 106 CB PRO A 10 -11.069 0.233 10.254 1.00 0.00 C ATOM 107 CG PRO A 10 -9.918 -0.435 10.923 1.00 0.00 C ATOM 108 CD PRO A 10 -9.898 -1.845 10.403 1.00 0.00 C ATOM 0 HA PRO A 10 -12.159 -0.501 8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.913 1.309 10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.993 0.083 10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.983 0.078 10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.034 -0.420 12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.882 -2.234 10.335 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.455 -2.521 11.052 1.00 0.00 H new ATOM 116 N SER A 11 -11.131 1.242 7.099 1.00 0.00 N ATOM 117 CA SER A 11 -10.533 2.098 6.081 1.00 0.00 C ATOM 118 C SER A 11 -10.580 3.562 6.506 1.00 0.00 C ATOM 119 O SER A 11 -11.642 4.090 6.838 1.00 0.00 O ATOM 120 CB SER A 11 -11.257 1.919 4.745 1.00 0.00 C ATOM 121 OG SER A 11 -12.653 2.110 4.893 1.00 0.00 O ATOM 0 H SER A 11 -12.144 1.328 7.181 1.00 0.00 H new ATOM 0 HA SER A 11 -9.490 1.806 5.963 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.865 2.629 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.063 0.921 4.353 1.00 0.00 H new ATOM 0 HG SER A 11 -12.818 2.868 5.491 1.00 0.00 H new ATOM 127 N TYR A 12 -9.422 4.213 6.493 1.00 0.00 N ATOM 128 CA TYR A 12 -9.329 5.616 6.879 1.00 0.00 C ATOM 129 C TYR A 12 -8.360 6.368 5.971 1.00 0.00 C ATOM 130 O TYR A 12 -7.457 5.774 5.381 1.00 0.00 O ATOM 131 CB TYR A 12 -8.880 5.737 8.336 1.00 0.00 C ATOM 132 CG TYR A 12 -7.383 5.622 8.519 1.00 0.00 C ATOM 133 CD1 TYR A 12 -6.725 4.420 8.290 1.00 0.00 C ATOM 134 CD2 TYR A 12 -6.627 6.717 8.922 1.00 0.00 C ATOM 135 CE1 TYR A 12 -5.359 4.311 8.457 1.00 0.00 C ATOM 136 CE2 TYR A 12 -5.260 6.617 9.090 1.00 0.00 C ATOM 137 CZ TYR A 12 -4.630 5.412 8.857 1.00 0.00 C ATOM 138 OH TYR A 12 -3.268 5.307 9.024 1.00 0.00 O ATOM 0 H TYR A 12 -8.534 3.791 6.219 1.00 0.00 H new ATOM 0 HA TYR A 12 -10.318 6.062 6.773 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.214 6.696 8.732 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.370 4.961 8.924 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.292 3.556 7.976 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.117 7.662 9.107 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.863 3.369 8.275 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.687 7.478 9.402 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.996 5.812 9.819 1.00 0.00 H new ATOM 148 N ARG A 13 -8.553 7.678 5.867 1.00 0.00 N ATOM 149 CA ARG A 13 -7.697 8.512 5.032 1.00 0.00 C ATOM 150 C ARG A 13 -6.747 9.345 5.888 1.00 0.00 C ATOM 151 O ARG A 13 -7.131 9.858 6.940 1.00 0.00 O ATOM 152 CB ARG A 13 -8.546 9.431 4.152 1.00 0.00 C ATOM 153 CG ARG A 13 -9.380 8.688 3.122 1.00 0.00 C ATOM 154 CD ARG A 13 -9.732 9.579 1.941 1.00 0.00 C ATOM 155 NE ARG A 13 -10.744 10.573 2.287 1.00 0.00 N ATOM 156 CZ ARG A 13 -11.230 11.459 1.425 1.00 0.00 C ATOM 157 NH1 ARG A 13 -10.798 11.474 0.171 1.00 0.00 N ATOM 158 NH2 ARG A 13 -12.150 12.331 1.816 1.00 0.00 N ATOM 0 H ARG A 13 -9.294 8.185 6.350 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.104 7.856 4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.208 10.019 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.891 10.134 3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.831 7.815 2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.295 8.322 3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.833 10.085 1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.095 8.963 1.118 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.097 10.588 3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.091 10.804 -0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.173 12.155 -0.489 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.485 12.322 2.779 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.523 13.011 1.153 1.00 0.00 H new ATOM 172 N PHE A 14 -5.506 9.475 5.431 1.00 0.00 N ATOM 173 CA PHE A 14 -4.501 10.245 6.156 1.00 0.00 C ATOM 174 C PHE A 14 -4.910 11.711 6.260 1.00 0.00 C ATOM 175 O PHE A 14 -5.220 12.353 5.257 1.00 0.00 O ATOM 176 CB PHE A 14 -3.143 10.130 5.461 1.00 0.00 C ATOM 177 CG PHE A 14 -2.091 11.026 6.051 1.00 0.00 C ATOM 178 CD1 PHE A 14 -2.062 12.377 5.745 1.00 0.00 C ATOM 179 CD2 PHE A 14 -1.131 10.517 6.910 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.096 13.205 6.285 1.00 0.00 C ATOM 181 CE2 PHE A 14 -0.163 11.340 7.454 1.00 0.00 C ATOM 182 CZ PHE A 14 -0.145 12.685 7.141 1.00 0.00 C ATOM 0 H PHE A 14 -5.172 9.057 4.562 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.422 9.837 7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.802 9.096 5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.263 10.370 4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.804 12.788 5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.139 9.466 7.157 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.085 14.256 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.579 10.931 8.124 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.611 13.329 7.565 1.00 0.00 H new ATOM 192 N ASN A 15 -4.908 12.234 7.482 1.00 0.00 N ATOM 193 CA ASN A 15 -5.280 13.624 7.719 1.00 0.00 C ATOM 194 C ASN A 15 -4.218 14.337 8.551 1.00 0.00 C ATOM 195 O ASN A 15 -4.121 14.156 9.765 1.00 0.00 O ATOM 196 CB ASN A 15 -6.634 13.699 8.427 1.00 0.00 C ATOM 197 CG ASN A 15 -7.752 13.092 7.601 1.00 0.00 C ATOM 198 OD1 ASN A 15 -7.505 12.344 6.655 1.00 0.00 O ATOM 199 ND2 ASN A 15 -8.991 13.414 7.956 1.00 0.00 N ATOM 0 H ASN A 15 -4.653 11.716 8.323 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.355 14.123 6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.570 13.181 9.384 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.870 14.741 8.644 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.784 13.037 7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.149 14.038 8.747 1.00 0.00 H new ATOM 206 N PRO A 16 -3.403 15.167 7.885 1.00 0.00 N ATOM 207 CA PRO A 16 -2.334 15.925 8.544 1.00 0.00 C ATOM 208 C PRO A 16 -2.877 17.026 9.448 1.00 0.00 C ATOM 209 O PRO A 16 -2.124 17.670 10.177 1.00 0.00 O ATOM 210 CB PRO A 16 -1.555 16.530 7.373 1.00 0.00 C ATOM 211 CG PRO A 16 -2.543 16.609 6.261 1.00 0.00 C ATOM 212 CD PRO A 16 -3.461 15.431 6.438 1.00 0.00 C ATOM 0 HA PRO A 16 -1.729 15.295 9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.163 17.515 7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.702 15.908 7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.099 17.546 6.299 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.044 16.573 5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.476 15.660 6.112 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.126 14.570 5.859 1.00 0.00 H new ATOM 220 N ASN A 17 -4.188 17.236 9.396 1.00 0.00 N ATOM 221 CA ASN A 17 -4.832 18.260 10.211 1.00 0.00 C ATOM 222 C ASN A 17 -5.243 17.696 11.567 1.00 0.00 C ATOM 223 O ASN A 17 -5.024 18.322 12.603 1.00 0.00 O ATOM 224 CB ASN A 17 -6.057 18.822 9.487 1.00 0.00 C ATOM 225 CG ASN A 17 -5.682 19.645 8.269 1.00 0.00 C ATOM 226 OD1 ASN A 17 -4.605 20.239 8.216 1.00 0.00 O ATOM 227 ND2 ASN A 17 -6.571 19.683 7.284 1.00 0.00 N ATOM 0 H ASN A 17 -4.826 16.711 8.798 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.114 19.064 10.374 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.704 18.000 9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.632 19.440 10.177 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.374 20.220 6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.451 19.175 7.371 1.00 0.00 H new ATOM 234 N ASN A 18 -5.840 16.508 11.552 1.00 0.00 N ATOM 235 CA ASN A 18 -6.283 15.859 12.781 1.00 0.00 C ATOM 236 C ASN A 18 -5.900 14.382 12.784 1.00 0.00 C ATOM 237 O ASN A 18 -5.981 13.707 11.758 1.00 0.00 O ATOM 238 CB ASN A 18 -7.797 16.006 12.943 1.00 0.00 C ATOM 239 CG ASN A 18 -8.284 17.398 12.592 1.00 0.00 C ATOM 240 OD1 ASN A 18 -8.903 17.607 11.548 1.00 0.00 O ATOM 241 ND2 ASN A 18 -8.006 18.360 13.465 1.00 0.00 N ATOM 0 H ASN A 18 -6.028 15.976 10.703 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.786 16.347 13.620 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.300 15.277 12.307 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.073 15.776 13.972 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.308 19.317 13.283 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.490 18.142 14.318 1.00 0.00 H new ATOM 248 N HIS A 19 -5.483 13.887 13.946 1.00 0.00 N ATOM 249 CA HIS A 19 -5.089 12.490 14.083 1.00 0.00 C ATOM 250 C HIS A 19 -4.931 12.112 15.553 1.00 0.00 C ATOM 251 O HIS A 19 -4.952 12.975 16.430 1.00 0.00 O ATOM 252 CB HIS A 19 -3.781 12.231 13.335 1.00 0.00 C ATOM 253 CG HIS A 19 -3.659 10.834 12.808 1.00 0.00 C ATOM 254 ND1 HIS A 19 -4.736 10.107 12.345 1.00 0.00 N ATOM 255 CD2 HIS A 19 -2.578 10.031 12.670 1.00 0.00 C ATOM 256 CE1 HIS A 19 -4.323 8.917 11.947 1.00 0.00 C ATOM 257 NE2 HIS A 19 -3.017 8.846 12.134 1.00 0.00 N ATOM 0 H HIS A 19 -5.410 14.432 14.805 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.875 11.872 13.649 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.702 12.932 12.504 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.944 12.433 14.003 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.560 10.277 12.933 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.947 8.136 11.538 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.430 8.041 11.915 1.00 0.00 H new ATOM 266 N GLN A 20 -4.775 10.818 15.813 1.00 0.00 N ATOM 267 CA GLN A 20 -4.615 10.327 17.177 1.00 0.00 C ATOM 268 C GLN A 20 -3.148 10.348 17.595 1.00 0.00 C ATOM 269 O GLN A 20 -2.820 10.698 18.728 1.00 0.00 O ATOM 270 CB GLN A 20 -5.173 8.908 17.299 1.00 0.00 C ATOM 271 CG GLN A 20 -4.491 7.905 16.383 1.00 0.00 C ATOM 272 CD GLN A 20 -3.307 7.225 17.041 1.00 0.00 C ATOM 273 OE1 GLN A 20 -3.144 7.279 18.261 1.00 0.00 O ATOM 274 NE2 GLN A 20 -2.473 6.578 16.236 1.00 0.00 N ATOM 0 H GLN A 20 -4.756 10.091 15.098 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.172 10.987 17.842 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.070 8.573 18.331 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.240 8.925 17.075 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.214 7.150 16.075 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.157 8.413 15.479 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.646 6.559 15.231 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.659 6.100 16.622 1.00 0.00 H new ATOM 283 N SER A 21 -2.270 9.970 16.672 1.00 0.00 N ATOM 284 CA SER A 21 -0.838 9.940 16.946 1.00 0.00 C ATOM 285 C SER A 21 -0.068 10.742 15.900 1.00 0.00 C ATOM 286 O SER A 21 -0.646 11.233 14.931 1.00 0.00 O ATOM 287 CB SER A 21 -0.332 8.497 16.973 1.00 0.00 C ATOM 288 OG SER A 21 -0.398 7.909 15.685 1.00 0.00 O ATOM 0 H SER A 21 -2.525 9.680 15.728 1.00 0.00 H new ATOM 0 HA SER A 21 -0.671 10.394 17.923 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.696 8.476 17.334 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.928 7.912 17.674 1.00 0.00 H new ATOM 0 HG SER A 21 -0.053 6.993 15.726 1.00 0.00 H new ATOM 294 N GLU A 22 1.239 10.869 16.106 1.00 0.00 N ATOM 295 CA GLU A 22 2.088 11.612 15.181 1.00 0.00 C ATOM 296 C GLU A 22 3.202 10.725 14.634 1.00 0.00 C ATOM 297 O GLU A 22 4.093 11.196 13.927 1.00 0.00 O ATOM 298 CB GLU A 22 2.689 12.835 15.877 1.00 0.00 C ATOM 299 CG GLU A 22 3.517 12.491 17.104 1.00 0.00 C ATOM 300 CD GLU A 22 4.626 13.493 17.358 1.00 0.00 C ATOM 301 OE1 GLU A 22 4.437 14.684 17.035 1.00 0.00 O ATOM 302 OE2 GLU A 22 5.685 13.086 17.882 1.00 0.00 O ATOM 0 H GLU A 22 1.733 10.468 16.903 1.00 0.00 H new ATOM 0 HA GLU A 22 1.470 11.945 14.347 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.315 13.376 15.167 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.883 13.508 16.170 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.865 12.447 17.977 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.950 11.499 16.979 1.00 0.00 H new ATOM 309 N GLN A 23 3.145 9.439 14.968 1.00 0.00 N ATOM 310 CA GLN A 23 4.150 8.487 14.511 1.00 0.00 C ATOM 311 C GLN A 23 3.692 7.779 13.240 1.00 0.00 C ATOM 312 O GLN A 23 3.845 6.565 13.102 1.00 0.00 O ATOM 313 CB GLN A 23 4.443 7.458 15.605 1.00 0.00 C ATOM 314 CG GLN A 23 3.242 6.601 15.970 1.00 0.00 C ATOM 315 CD GLN A 23 3.630 5.189 16.364 1.00 0.00 C ATOM 316 OE1 GLN A 23 4.115 4.953 17.471 1.00 0.00 O ATOM 317 NE2 GLN A 23 3.420 4.242 15.457 1.00 0.00 N ATOM 0 H GLN A 23 2.414 9.033 15.553 1.00 0.00 H new ATOM 0 HA GLN A 23 5.063 9.040 14.288 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.255 6.810 15.275 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.793 7.978 16.497 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.704 7.069 16.794 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.557 6.562 15.123 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.016 4.483 14.552 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.663 3.274 15.665 1.00 0.00 H new ATOM 326 N THR A 24 3.128 8.546 12.312 1.00 0.00 N ATOM 327 CA THR A 24 2.646 7.993 11.053 1.00 0.00 C ATOM 328 C THR A 24 3.795 7.761 10.078 1.00 0.00 C ATOM 329 O THR A 24 4.260 8.692 9.418 1.00 0.00 O ATOM 330 CB THR A 24 1.607 8.919 10.393 1.00 0.00 C ATOM 331 OG1 THR A 24 1.358 8.497 9.048 1.00 0.00 O ATOM 332 CG2 THR A 24 2.090 10.362 10.396 1.00 0.00 C ATOM 0 H THR A 24 2.994 9.552 12.409 1.00 0.00 H new ATOM 0 HA THR A 24 2.174 7.039 11.288 1.00 0.00 H new ATOM 0 HB THR A 24 0.683 8.860 10.968 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.277 7.521 9.021 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.340 10.998 9.925 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.250 10.690 11.423 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.026 10.434 9.842 1.00 0.00 H new ATOM 340 N LEU A 25 4.249 6.516 9.991 1.00 0.00 N ATOM 341 CA LEU A 25 5.344 6.162 9.095 1.00 0.00 C ATOM 342 C LEU A 25 5.140 4.768 8.510 1.00 0.00 C ATOM 343 O LEU A 25 4.596 3.880 9.168 1.00 0.00 O ATOM 344 CB LEU A 25 6.679 6.224 9.840 1.00 0.00 C ATOM 345 CG LEU A 25 7.933 6.026 8.988 1.00 0.00 C ATOM 346 CD1 LEU A 25 9.110 6.779 9.587 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.258 4.545 8.853 1.00 0.00 C ATOM 0 H LEU A 25 3.876 5.735 10.530 1.00 0.00 H new ATOM 0 HA LEU A 25 5.358 6.881 8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.751 7.192 10.336 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.672 5.464 10.622 1.00 0.00 H new ATOM 0 HG LEU A 25 7.740 6.427 7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.993 6.626 8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.877 7.843 9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.305 6.409 10.593 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.153 4.423 8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.431 4.119 9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.423 4.031 8.377 1.00 0.00 H new ATOM 359 N CYS A 26 5.580 4.582 7.270 1.00 0.00 N ATOM 360 CA CYS A 26 5.448 3.296 6.596 1.00 0.00 C ATOM 361 C CYS A 26 6.771 2.536 6.610 1.00 0.00 C ATOM 362 O CYS A 26 7.568 2.638 5.677 1.00 0.00 O ATOM 363 CB CYS A 26 4.979 3.499 5.154 1.00 0.00 C ATOM 364 SG CYS A 26 4.645 1.949 4.256 1.00 0.00 S ATOM 0 H CYS A 26 6.031 5.306 6.711 1.00 0.00 H new ATOM 0 HA CYS A 26 4.705 2.707 7.133 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.073 4.106 5.160 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.738 4.064 4.612 1.00 0.00 H new ATOM 369 N VAL A 27 6.998 1.773 7.675 1.00 0.00 N ATOM 370 CA VAL A 27 8.223 0.994 7.810 1.00 0.00 C ATOM 371 C VAL A 27 8.610 0.344 6.487 1.00 0.00 C ATOM 372 O VAL A 27 9.792 0.233 6.159 1.00 0.00 O ATOM 373 CB VAL A 27 8.076 -0.101 8.884 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.583 -1.397 8.260 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.396 -0.316 9.608 1.00 0.00 C ATOM 0 H VAL A 27 6.349 1.678 8.457 1.00 0.00 H new ATOM 0 HA VAL A 27 9.007 1.688 8.113 1.00 0.00 H new ATOM 0 HB VAL A 27 7.336 0.227 9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.485 -2.159 9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.613 -1.229 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.297 -1.733 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.275 -1.093 10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.158 -0.623 8.892 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.703 0.613 10.089 1.00 0.00 H new ATOM 385 N VAL A 28 7.606 -0.084 5.728 1.00 0.00 N ATOM 386 CA VAL A 28 7.841 -0.722 4.438 1.00 0.00 C ATOM 387 C VAL A 28 8.695 0.161 3.535 1.00 0.00 C ATOM 388 O VAL A 28 9.830 -0.183 3.206 1.00 0.00 O ATOM 389 CB VAL A 28 6.516 -1.042 3.721 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.780 -1.760 2.406 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.612 -1.873 4.618 1.00 0.00 C ATOM 0 H VAL A 28 6.622 -0.000 5.984 1.00 0.00 H new ATOM 0 HA VAL A 28 8.372 -1.653 4.637 1.00 0.00 H new ATOM 0 HB VAL A 28 6.007 -0.104 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.832 -1.978 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.387 -1.125 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.310 -2.692 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.680 -2.090 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.111 -2.808 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.395 -1.318 5.531 1.00 0.00 H new ATOM 401 N CYS A 29 8.141 1.302 3.139 1.00 0.00 N ATOM 402 CA CYS A 29 8.851 2.236 2.274 1.00 0.00 C ATOM 403 C CYS A 29 9.380 3.423 3.073 1.00 0.00 C ATOM 404 O CYS A 29 9.635 4.493 2.521 1.00 0.00 O ATOM 405 CB CYS A 29 7.930 2.730 1.156 1.00 0.00 C ATOM 406 SG CYS A 29 6.550 3.769 1.735 1.00 0.00 S ATOM 0 H CYS A 29 7.203 1.602 3.403 1.00 0.00 H new ATOM 0 HA CYS A 29 9.698 1.711 1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.521 3.297 0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.525 1.868 0.626 1.00 0.00 H new ATOM 411 N MET A 30 9.543 3.226 4.377 1.00 0.00 N ATOM 412 CA MET A 30 10.043 4.280 5.253 1.00 0.00 C ATOM 413 C MET A 30 9.609 5.654 4.753 1.00 0.00 C ATOM 414 O MET A 30 10.423 6.571 4.645 1.00 0.00 O ATOM 415 CB MET A 30 11.569 4.215 5.343 1.00 0.00 C ATOM 416 CG MET A 30 12.098 2.842 5.725 1.00 0.00 C ATOM 417 SD MET A 30 13.640 2.926 6.656 1.00 0.00 S ATOM 418 CE MET A 30 13.020 3.214 8.311 1.00 0.00 C ATOM 0 H MET A 30 9.336 2.347 4.851 1.00 0.00 H new ATOM 0 HA MET A 30 9.620 4.125 6.246 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.994 4.504 4.382 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.913 4.945 6.076 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.348 2.320 6.319 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.255 2.253 4.821 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.857 3.290 9.005 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.449 4.142 8.329 1.00 0.00 H new ATOM 0 HE3 MET A 30 12.376 2.386 8.608 1.00 0.00 H new ATOM 428 N CYS A 31 8.323 5.788 4.449 1.00 0.00 N ATOM 429 CA CYS A 31 7.781 7.051 3.959 1.00 0.00 C ATOM 430 C CYS A 31 6.450 7.369 4.633 1.00 0.00 C ATOM 431 O CYS A 31 5.579 6.507 4.748 1.00 0.00 O ATOM 432 CB CYS A 31 7.598 6.997 2.442 1.00 0.00 C ATOM 433 SG CYS A 31 7.324 8.611 1.674 1.00 0.00 S ATOM 0 H CYS A 31 7.636 5.038 4.533 1.00 0.00 H new ATOM 0 HA CYS A 31 8.490 7.842 4.204 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.481 6.540 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.753 6.349 2.212 1.00 0.00 H new ATOM 0 HG CYS A 31 7.183 8.462 0.390 1.00 0.00 H new ATOM 439 N ASP A 32 6.301 8.612 5.078 1.00 0.00 N ATOM 440 CA ASP A 32 5.077 9.045 5.742 1.00 0.00 C ATOM 441 C ASP A 32 3.902 9.047 4.768 1.00 0.00 C ATOM 442 O ASP A 32 3.922 9.748 3.756 1.00 0.00 O ATOM 443 CB ASP A 32 5.261 10.440 6.340 1.00 0.00 C ATOM 444 CG ASP A 32 3.967 11.229 6.381 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.518 11.689 5.310 1.00 0.00 O ATOM 446 OD2 ASP A 32 3.402 11.384 7.484 1.00 0.00 O ATOM 0 H ASP A 32 7.013 9.337 4.991 1.00 0.00 H new ATOM 0 HA ASP A 32 4.860 8.340 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.660 10.349 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.999 10.988 5.754 1.00 0.00 H new ATOM 451 N PHE A 33 2.881 8.256 5.079 1.00 0.00 N ATOM 452 CA PHE A 33 1.698 8.165 4.231 1.00 0.00 C ATOM 453 C PHE A 33 1.313 9.537 3.685 1.00 0.00 C ATOM 454 O PHE A 33 1.637 10.565 4.279 1.00 0.00 O ATOM 455 CB PHE A 33 0.527 7.568 5.014 1.00 0.00 C ATOM 456 CG PHE A 33 0.899 6.353 5.815 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.477 5.253 5.202 1.00 0.00 C ATOM 458 CD2 PHE A 33 0.670 6.310 7.181 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.821 4.133 5.936 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.012 5.194 7.920 1.00 0.00 C ATOM 461 CZ PHE A 33 1.587 4.103 7.297 1.00 0.00 C ATOM 0 H PHE A 33 2.849 7.668 5.912 1.00 0.00 H new ATOM 0 HA PHE A 33 1.934 7.512 3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.125 8.327 5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.269 7.304 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.661 5.271 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.219 7.159 7.674 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.272 3.283 5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.830 5.174 8.984 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.853 3.229 7.873 1.00 0.00 H new ATOM 471 N GLU A 34 0.621 9.542 2.550 1.00 0.00 N ATOM 472 CA GLU A 34 0.193 10.788 1.924 1.00 0.00 C ATOM 473 C GLU A 34 -1.275 11.073 2.227 1.00 0.00 C ATOM 474 O GLU A 34 -2.026 10.176 2.611 1.00 0.00 O ATOM 475 CB GLU A 34 0.409 10.724 0.410 1.00 0.00 C ATOM 476 CG GLU A 34 1.873 10.740 0.004 1.00 0.00 C ATOM 477 CD GLU A 34 2.084 10.311 -1.435 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.528 10.969 -2.339 1.00 0.00 O ATOM 479 OE2 GLU A 34 2.806 9.317 -1.657 1.00 0.00 O ATOM 0 H GLU A 34 0.345 8.699 2.046 1.00 0.00 H new ATOM 0 HA GLU A 34 0.795 11.598 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.057 9.818 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.098 11.568 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.274 11.744 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.436 10.079 0.663 1.00 0.00 H new ATOM 486 N SER A 35 -1.677 12.328 2.051 1.00 0.00 N ATOM 487 CA SER A 35 -3.053 12.733 2.310 1.00 0.00 C ATOM 488 C SER A 35 -3.979 12.253 1.197 1.00 0.00 C ATOM 489 O SER A 35 -3.571 12.139 0.041 1.00 0.00 O ATOM 490 CB SER A 35 -3.143 14.254 2.443 1.00 0.00 C ATOM 491 OG SER A 35 -2.479 14.900 1.370 1.00 0.00 O ATOM 0 H SER A 35 -1.069 13.081 1.730 1.00 0.00 H new ATOM 0 HA SER A 35 -3.370 12.274 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.189 14.559 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.701 14.566 3.389 1.00 0.00 H new ATOM 0 HG SER A 35 -2.552 15.871 1.477 1.00 0.00 H new ATOM 497 N ARG A 36 -5.229 11.974 1.554 1.00 0.00 N ATOM 498 CA ARG A 36 -6.213 11.505 0.586 1.00 0.00 C ATOM 499 C ARG A 36 -5.779 10.179 -0.032 1.00 0.00 C ATOM 500 O ARG A 36 -5.774 10.026 -1.253 1.00 0.00 O ATOM 501 CB ARG A 36 -6.418 12.549 -0.513 1.00 0.00 C ATOM 502 CG ARG A 36 -6.829 13.915 0.014 1.00 0.00 C ATOM 503 CD ARG A 36 -8.249 13.898 0.556 1.00 0.00 C ATOM 504 NE ARG A 36 -8.808 15.243 0.667 1.00 0.00 N ATOM 505 CZ ARG A 36 -9.823 15.553 1.466 1.00 0.00 C ATOM 506 NH1 ARG A 36 -10.387 14.619 2.220 1.00 0.00 N ATOM 507 NH2 ARG A 36 -10.276 16.799 1.513 1.00 0.00 N ATOM 0 H ARG A 36 -5.584 12.065 2.506 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.156 11.350 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.494 12.651 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.181 12.191 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.142 14.225 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.752 14.653 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.880 13.296 -0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.258 13.420 1.535 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.397 15.985 0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.042 13.660 2.187 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.166 14.860 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.845 17.521 0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.055 17.035 2.127 1.00 0.00 H new ATOM 521 N GLN A 37 -5.416 9.226 0.820 1.00 0.00 N ATOM 522 CA GLN A 37 -4.980 7.914 0.356 1.00 0.00 C ATOM 523 C GLN A 37 -5.449 6.817 1.306 1.00 0.00 C ATOM 524 O GLN A 37 -5.519 7.019 2.519 1.00 0.00 O ATOM 525 CB GLN A 37 -3.456 7.876 0.228 1.00 0.00 C ATOM 526 CG GLN A 37 -2.895 8.953 -0.686 1.00 0.00 C ATOM 527 CD GLN A 37 -2.778 8.493 -2.126 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.777 8.166 -2.768 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.555 8.466 -2.642 1.00 0.00 N ATOM 0 H GLN A 37 -5.415 9.337 1.834 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.425 7.736 -0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.014 7.985 1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.156 6.898 -0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.536 9.833 -0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.912 9.256 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.755 8.746 -2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.415 8.166 -3.607 1.00 0.00 H new ATOM 538 N LEU A 38 -5.771 5.655 0.748 1.00 0.00 N ATOM 539 CA LEU A 38 -6.234 4.525 1.545 1.00 0.00 C ATOM 540 C LEU A 38 -5.070 3.850 2.263 1.00 0.00 C ATOM 541 O LEU A 38 -4.027 3.586 1.663 1.00 0.00 O ATOM 542 CB LEU A 38 -6.957 3.511 0.657 1.00 0.00 C ATOM 543 CG LEU A 38 -7.954 2.591 1.362 1.00 0.00 C ATOM 544 CD1 LEU A 38 -9.112 3.396 1.933 1.00 0.00 C ATOM 545 CD2 LEU A 38 -8.466 1.525 0.405 1.00 0.00 C ATOM 0 H LEU A 38 -5.720 5.471 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.929 4.903 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.486 4.055 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.208 2.892 0.163 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.441 2.095 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.811 2.724 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.731 4.122 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.624 3.920 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.174 0.880 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.962 2.003 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.629 0.928 0.044 1.00 0.00 H new ATOM 557 N LEU A 39 -5.255 3.572 3.548 1.00 0.00 N ATOM 558 CA LEU A 39 -4.220 2.926 4.348 1.00 0.00 C ATOM 559 C LEU A 39 -4.790 1.740 5.119 1.00 0.00 C ATOM 560 O LEU A 39 -6.001 1.640 5.319 1.00 0.00 O ATOM 561 CB LEU A 39 -3.597 3.929 5.320 1.00 0.00 C ATOM 562 CG LEU A 39 -3.097 5.237 4.705 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.557 6.162 5.785 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.031 4.960 3.656 1.00 0.00 C ATOM 0 H LEU A 39 -6.112 3.784 4.059 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.448 2.559 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.335 4.169 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.761 3.445 5.824 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.937 5.732 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.206 7.088 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.348 6.387 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.730 5.675 6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.687 5.902 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.191 4.443 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.451 4.336 2.867 1.00 0.00 H new ATOM 576 N ARG A 40 -3.909 0.844 5.553 1.00 0.00 N ATOM 577 CA ARG A 40 -4.324 -0.335 6.304 1.00 0.00 C ATOM 578 C ARG A 40 -3.522 -0.468 7.595 1.00 0.00 C ATOM 579 O ARG A 40 -2.293 -0.544 7.570 1.00 0.00 O ATOM 580 CB ARG A 40 -4.153 -1.594 5.453 1.00 0.00 C ATOM 581 CG ARG A 40 -5.271 -1.804 4.445 1.00 0.00 C ATOM 582 CD ARG A 40 -6.533 -2.327 5.113 1.00 0.00 C ATOM 583 NE ARG A 40 -7.677 -2.321 4.205 1.00 0.00 N ATOM 584 CZ ARG A 40 -7.938 -3.301 3.347 1.00 0.00 C ATOM 585 NH1 ARG A 40 -7.143 -4.360 3.282 1.00 0.00 N ATOM 586 NH2 ARG A 40 -8.998 -3.224 2.552 1.00 0.00 N ATOM 0 H ARG A 40 -2.903 0.912 5.397 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.377 -0.219 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.203 -1.537 4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.100 -2.462 6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.489 -0.863 3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.945 -2.508 3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.360 -3.342 5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.760 -1.716 5.986 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.310 -1.521 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.328 -4.424 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.346 -5.111 2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.613 -2.412 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.197 -3.977 1.894 1.00 0.00 H new ATOM 600 N VAL A 41 -4.225 -0.494 8.723 1.00 0.00 N ATOM 601 CA VAL A 41 -3.578 -0.619 10.024 1.00 0.00 C ATOM 602 C VAL A 41 -3.511 -2.076 10.467 1.00 0.00 C ATOM 603 O VAL A 41 -4.540 -2.723 10.667 1.00 0.00 O ATOM 604 CB VAL A 41 -4.318 0.200 11.098 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.691 -0.024 12.466 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.315 1.678 10.737 1.00 0.00 C ATOM 0 H VAL A 41 -5.242 -0.430 8.762 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.566 -0.230 9.914 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.353 -0.138 11.139 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.227 0.563 13.212 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.750 -1.081 12.725 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.646 0.286 12.443 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.842 2.242 11.507 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.287 2.033 10.667 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.814 1.819 9.778 1.00 0.00 H new ATOM 616 N LEU A 42 -2.294 -2.586 10.620 1.00 0.00 N ATOM 617 CA LEU A 42 -2.092 -3.968 11.041 1.00 0.00 C ATOM 618 C LEU A 42 -2.760 -4.231 12.387 1.00 0.00 C ATOM 619 O LEU A 42 -3.017 -3.315 13.169 1.00 0.00 O ATOM 620 CB LEU A 42 -0.597 -4.281 11.131 1.00 0.00 C ATOM 621 CG LEU A 42 0.116 -4.535 9.803 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.560 -4.950 10.043 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.618 -5.598 8.998 1.00 0.00 C ATOM 0 H LEU A 42 -1.433 -2.064 10.459 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.549 -4.619 10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.102 -3.450 11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.467 -5.159 11.764 1.00 0.00 H new ATOM 0 HG LEU A 42 0.116 -3.608 9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.052 -5.127 9.086 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.082 -4.157 10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.582 -5.864 10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.096 -5.766 8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.649 -6.528 9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.635 -5.263 8.795 1.00 0.00 H new ATOM 635 N PRO A 43 -3.046 -5.511 12.666 1.00 0.00 N ATOM 636 CA PRO A 43 -3.685 -5.924 13.919 1.00 0.00 C ATOM 637 C PRO A 43 -2.760 -5.767 15.121 1.00 0.00 C ATOM 638 O PRO A 43 -3.105 -6.154 16.238 1.00 0.00 O ATOM 639 CB PRO A 43 -4.007 -7.402 13.683 1.00 0.00 C ATOM 640 CG PRO A 43 -3.017 -7.847 12.662 1.00 0.00 C ATOM 641 CD PRO A 43 -2.767 -6.654 11.781 1.00 0.00 C ATOM 0 HA PRO A 43 -4.558 -5.314 14.151 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.914 -7.979 14.603 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.029 -7.533 13.327 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.094 -8.184 13.134 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.404 -8.686 12.083 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.742 -6.635 11.412 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.420 -6.655 10.908 1.00 0.00 H new ATOM 649 N CYS A 44 -1.583 -5.196 14.886 1.00 0.00 N ATOM 650 CA CYS A 44 -0.608 -4.986 15.949 1.00 0.00 C ATOM 651 C CYS A 44 -0.515 -3.509 16.319 1.00 0.00 C ATOM 652 O CYS A 44 0.399 -3.092 17.029 1.00 0.00 O ATOM 653 CB CYS A 44 0.767 -5.502 15.517 1.00 0.00 C ATOM 654 SG CYS A 44 1.202 -5.105 13.793 1.00 0.00 S ATOM 0 H CYS A 44 -1.282 -4.870 13.968 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.939 -5.542 16.826 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.525 -5.082 16.178 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.795 -6.584 15.648 1.00 0.00 H new ATOM 659 N ASN A 45 -1.470 -2.722 15.834 1.00 0.00 N ATOM 660 CA ASN A 45 -1.497 -1.291 16.113 1.00 0.00 C ATOM 661 C ASN A 45 -0.430 -0.559 15.306 1.00 0.00 C ATOM 662 O ASN A 45 0.189 0.389 15.790 1.00 0.00 O ATOM 663 CB ASN A 45 -1.285 -1.038 17.608 1.00 0.00 C ATOM 664 CG ASN A 45 -1.721 0.353 18.026 1.00 0.00 C ATOM 665 OD1 ASN A 45 -0.897 1.253 18.183 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.024 0.534 18.209 1.00 0.00 N ATOM 0 H ASN A 45 -2.235 -3.051 15.246 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.475 -0.907 15.821 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.842 -1.778 18.182 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.231 -1.174 17.851 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.377 1.448 18.491 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.671 -0.241 18.067 1.00 0.00 H new ATOM 673 N HIS A 46 -0.220 -1.005 14.071 1.00 0.00 N ATOM 674 CA HIS A 46 0.771 -0.391 13.195 1.00 0.00 C ATOM 675 C HIS A 46 0.137 0.043 11.877 1.00 0.00 C ATOM 676 O HIS A 46 -0.588 -0.724 11.245 1.00 0.00 O ATOM 677 CB HIS A 46 1.918 -1.366 12.926 1.00 0.00 C ATOM 678 CG HIS A 46 2.925 -1.427 14.033 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.557 -2.592 14.412 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.409 -0.457 14.844 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.386 -2.337 15.409 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.315 -1.048 15.690 1.00 0.00 N ATOM 0 H HIS A 46 -0.723 -1.789 13.655 1.00 0.00 H new ATOM 0 HA HIS A 46 1.165 0.493 13.696 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.507 -2.362 12.765 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.421 -1.076 12.004 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.134 0.587 14.829 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.014 -3.059 15.909 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.847 -0.570 16.417 1.00 0.00 H new ATOM 690 N GLU A 47 0.416 1.277 11.470 1.00 0.00 N ATOM 691 CA GLU A 47 -0.129 1.813 10.228 1.00 0.00 C ATOM 692 C GLU A 47 0.792 1.504 9.052 1.00 0.00 C ATOM 693 O GLU A 47 2.015 1.487 9.194 1.00 0.00 O ATOM 694 CB GLU A 47 -0.334 3.325 10.345 1.00 0.00 C ATOM 695 CG GLU A 47 -1.155 3.735 11.556 1.00 0.00 C ATOM 696 CD GLU A 47 -1.287 5.240 11.688 1.00 0.00 C ATOM 697 OE1 GLU A 47 -1.195 5.936 10.655 1.00 0.00 O ATOM 698 OE2 GLU A 47 -1.483 5.722 12.824 1.00 0.00 O ATOM 0 H GLU A 47 1.016 1.924 11.982 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.092 1.336 10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.640 3.813 10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.827 3.687 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.148 3.292 11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.691 3.334 12.457 1.00 0.00 H new ATOM 705 N PHE A 48 0.196 1.258 7.890 1.00 0.00 N ATOM 706 CA PHE A 48 0.962 0.948 6.688 1.00 0.00 C ATOM 707 C PHE A 48 0.218 1.403 5.436 1.00 0.00 C ATOM 708 O PHE A 48 -0.922 1.862 5.510 1.00 0.00 O ATOM 709 CB PHE A 48 1.243 -0.555 6.610 1.00 0.00 C ATOM 710 CG PHE A 48 2.015 -1.082 7.786 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.399 -1.032 7.801 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.356 -1.628 8.876 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.113 -1.515 8.881 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.065 -2.113 9.959 1.00 0.00 C ATOM 715 CZ PHE A 48 3.445 -2.058 9.961 1.00 0.00 C ATOM 0 H PHE A 48 -0.815 1.267 7.755 1.00 0.00 H new ATOM 0 HA PHE A 48 1.909 1.486 6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.296 -1.090 6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.799 -0.766 5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.927 -0.610 6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.277 -1.675 8.879 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.192 -1.468 8.881 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.540 -2.535 10.803 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.001 -2.439 10.805 1.00 0.00 H new ATOM 725 N HIS A 49 0.871 1.272 4.286 1.00 0.00 N ATOM 726 CA HIS A 49 0.273 1.669 3.017 1.00 0.00 C ATOM 727 C HIS A 49 -0.572 0.539 2.437 1.00 0.00 C ATOM 728 O HIS A 49 -0.097 -0.585 2.277 1.00 0.00 O ATOM 729 CB HIS A 49 1.360 2.072 2.020 1.00 0.00 C ATOM 730 CG HIS A 49 1.631 3.544 1.992 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.896 4.079 2.121 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.792 4.597 1.847 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.823 5.397 2.059 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.557 5.736 1.892 1.00 0.00 N ATOM 0 H HIS A 49 1.815 0.894 4.207 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.375 2.526 3.202 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.282 1.546 2.268 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.065 1.746 1.022 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.279 4.550 1.720 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.656 6.080 2.132 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.205 6.690 1.810 1.00 0.00 H new ATOM 742 N ALA A 50 -1.827 0.845 2.125 1.00 0.00 N ATOM 743 CA ALA A 50 -2.738 -0.145 1.562 1.00 0.00 C ATOM 744 C ALA A 50 -2.040 -0.994 0.504 1.00 0.00 C ATOM 745 O ALA A 50 -2.379 -2.161 0.307 1.00 0.00 O ATOM 746 CB ALA A 50 -3.961 0.540 0.970 1.00 0.00 C ATOM 0 H ALA A 50 -2.236 1.771 2.252 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.060 -0.806 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.632 -0.211 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.479 1.097 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.649 1.225 0.182 1.00 0.00 H new ATOM 752 N LYS A 51 -1.064 -0.400 -0.174 1.00 0.00 N ATOM 753 CA LYS A 51 -0.318 -1.102 -1.212 1.00 0.00 C ATOM 754 C LYS A 51 0.894 -1.816 -0.622 1.00 0.00 C ATOM 755 O LYS A 51 1.049 -3.028 -0.777 1.00 0.00 O ATOM 756 CB LYS A 51 0.134 -0.120 -2.296 1.00 0.00 C ATOM 757 CG LYS A 51 1.015 1.001 -1.772 1.00 0.00 C ATOM 758 CD LYS A 51 1.130 2.136 -2.776 1.00 0.00 C ATOM 759 CE LYS A 51 -0.140 2.971 -2.820 1.00 0.00 C ATOM 760 NZ LYS A 51 -0.244 3.756 -4.082 1.00 0.00 N ATOM 0 H LYS A 51 -0.771 0.565 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.977 -1.848 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.677 -0.667 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.746 0.313 -2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.604 1.381 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.008 0.610 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.976 2.771 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.333 1.728 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.008 2.318 -2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.158 3.650 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.123 4.312 -4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.571 4.398 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.252 3.107 -4.895 1.00 0.00 H new ATOM 774 N CYS A 52 1.749 -1.059 0.056 1.00 0.00 N ATOM 775 CA CYS A 52 2.947 -1.620 0.671 1.00 0.00 C ATOM 776 C CYS A 52 2.608 -2.866 1.484 1.00 0.00 C ATOM 777 O CYS A 52 3.018 -3.975 1.141 1.00 0.00 O ATOM 778 CB CYS A 52 3.620 -0.580 1.568 1.00 0.00 C ATOM 779 SG CYS A 52 4.180 0.912 0.685 1.00 0.00 S ATOM 0 H CYS A 52 1.635 -0.055 0.194 1.00 0.00 H new ATOM 0 HA CYS A 52 3.636 -1.903 -0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.922 -0.285 2.351 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.476 -1.040 2.061 1.00 0.00 H new ATOM 784 N VAL A 53 1.856 -2.675 2.564 1.00 0.00 N ATOM 785 CA VAL A 53 1.460 -3.783 3.426 1.00 0.00 C ATOM 786 C VAL A 53 0.971 -4.970 2.604 1.00 0.00 C ATOM 787 O VAL A 53 1.304 -6.119 2.896 1.00 0.00 O ATOM 788 CB VAL A 53 0.352 -3.361 4.408 1.00 0.00 C ATOM 789 CG1 VAL A 53 -0.962 -3.149 3.672 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.194 -4.398 5.510 1.00 0.00 C ATOM 0 H VAL A 53 1.509 -1.764 2.863 1.00 0.00 H new ATOM 0 HA VAL A 53 2.344 -4.076 3.992 1.00 0.00 H new ATOM 0 HB VAL A 53 0.639 -2.416 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.733 -2.851 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.837 -2.367 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.259 -4.077 3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.593 -4.084 6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.071 -5.359 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.133 -4.495 6.056 1.00 0.00 H new ATOM 800 N ASP A 54 0.180 -4.686 1.576 1.00 0.00 N ATOM 801 CA ASP A 54 -0.354 -5.731 0.710 1.00 0.00 C ATOM 802 C ASP A 54 0.773 -6.544 0.082 1.00 0.00 C ATOM 803 O ASP A 54 0.697 -7.770 -0.002 1.00 0.00 O ATOM 804 CB ASP A 54 -1.229 -5.118 -0.384 1.00 0.00 C ATOM 805 CG ASP A 54 -2.667 -4.931 0.061 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.882 -4.601 1.246 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.576 -5.117 -0.775 1.00 0.00 O ATOM 0 H ASP A 54 -0.106 -3.741 1.321 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.963 -6.399 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.815 -4.154 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.205 -5.758 -1.266 1.00 0.00 H new ATOM 812 N LYS A 55 1.818 -5.854 -0.361 1.00 0.00 N ATOM 813 CA LYS A 55 2.962 -6.511 -0.983 1.00 0.00 C ATOM 814 C LYS A 55 3.779 -7.276 0.053 1.00 0.00 C ATOM 815 O LYS A 55 4.218 -8.399 -0.195 1.00 0.00 O ATOM 816 CB LYS A 55 3.848 -5.480 -1.687 1.00 0.00 C ATOM 817 CG LYS A 55 4.830 -6.093 -2.670 1.00 0.00 C ATOM 818 CD LYS A 55 5.821 -5.062 -3.184 1.00 0.00 C ATOM 819 CE LYS A 55 7.018 -4.927 -2.256 1.00 0.00 C ATOM 820 NZ LYS A 55 6.762 -3.953 -1.159 1.00 0.00 N ATOM 0 H LYS A 55 1.897 -4.839 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 55 2.586 -7.221 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.214 -4.769 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.402 -4.916 -0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.369 -6.908 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.285 -6.525 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.162 -5.348 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.325 -4.096 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.258 -5.901 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.888 -4.608 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.641 -3.445 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.036 -3.272 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.430 -4.461 -0.314 1.00 0.00 H new ATOM 834 N TRP A 56 3.978 -6.662 1.214 1.00 0.00 N ATOM 835 CA TRP A 56 4.742 -7.287 2.288 1.00 0.00 C ATOM 836 C TRP A 56 4.046 -8.548 2.788 1.00 0.00 C ATOM 837 O TRP A 56 4.700 -9.519 3.172 1.00 0.00 O ATOM 838 CB TRP A 56 4.935 -6.304 3.443 1.00 0.00 C ATOM 839 CG TRP A 56 5.664 -6.895 4.611 1.00 0.00 C ATOM 840 CD1 TRP A 56 5.110 -7.494 5.706 1.00 0.00 C ATOM 841 CD2 TRP A 56 7.083 -6.942 4.801 1.00 0.00 C ATOM 842 NE1 TRP A 56 6.098 -7.910 6.565 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.317 -7.585 6.032 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.177 -6.506 4.049 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.601 -7.799 6.527 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.451 -6.720 4.542 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.654 -7.362 5.770 1.00 0.00 C ATOM 0 H TRP A 56 3.621 -5.733 1.436 1.00 0.00 H new ATOM 0 HA TRP A 56 5.718 -7.566 1.891 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.485 -5.435 3.083 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.959 -5.949 3.775 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.051 -7.622 5.872 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.948 -8.384 7.456 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.030 -6.011 3.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.760 -8.292 7.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.304 -6.386 3.970 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.662 -7.515 6.127 1.00 0.00 H new ATOM 858 N LEU A 57 2.718 -8.528 2.780 1.00 0.00 N ATOM 859 CA LEU A 57 1.933 -9.671 3.233 1.00 0.00 C ATOM 860 C LEU A 57 1.992 -10.809 2.219 1.00 0.00 C ATOM 861 O LEU A 57 1.854 -11.980 2.573 1.00 0.00 O ATOM 862 CB LEU A 57 0.479 -9.256 3.467 1.00 0.00 C ATOM 863 CG LEU A 57 0.221 -8.377 4.690 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.249 -7.993 4.771 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.658 -9.090 5.962 1.00 0.00 C ATOM 0 H LEU A 57 2.162 -7.733 2.465 1.00 0.00 H new ATOM 0 HA LEU A 57 2.359 -10.024 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.127 -8.726 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.125 -10.159 3.559 1.00 0.00 H new ATOM 0 HG LEU A 57 0.809 -7.465 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.414 -7.367 5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.531 -7.442 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.857 -8.894 4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.467 -8.449 6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.097 -10.019 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.723 -9.314 5.906 1.00 0.00 H new ATOM 877 N LYS A 58 2.200 -10.457 0.954 1.00 0.00 N ATOM 878 CA LYS A 58 2.282 -11.447 -0.112 1.00 0.00 C ATOM 879 C LYS A 58 3.464 -12.386 0.106 1.00 0.00 C ATOM 880 O LYS A 58 3.329 -13.605 0.004 1.00 0.00 O ATOM 881 CB LYS A 58 2.411 -10.754 -1.471 1.00 0.00 C ATOM 882 CG LYS A 58 1.076 -10.472 -2.139 1.00 0.00 C ATOM 883 CD LYS A 58 1.219 -9.463 -3.266 1.00 0.00 C ATOM 884 CE LYS A 58 -0.110 -9.212 -3.961 1.00 0.00 C ATOM 885 NZ LYS A 58 0.068 -8.507 -5.261 1.00 0.00 N ATOM 0 H LYS A 58 2.315 -9.492 0.643 1.00 0.00 H new ATOM 0 HA LYS A 58 1.365 -12.037 -0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.948 -9.815 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.014 -11.377 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.661 -11.400 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.370 -10.095 -1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.606 -8.525 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.947 -9.827 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.617 -10.162 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.753 -8.619 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.861 -8.355 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.529 -7.589 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.661 -9.085 -5.891 1.00 0.00 H new ATOM 899 N ALA A 59 4.623 -11.810 0.407 1.00 0.00 N ATOM 900 CA ALA A 59 5.828 -12.595 0.643 1.00 0.00 C ATOM 901 C ALA A 59 6.032 -12.854 2.132 1.00 0.00 C ATOM 902 O ALA A 59 6.324 -13.977 2.542 1.00 0.00 O ATOM 903 CB ALA A 59 7.042 -11.888 0.058 1.00 0.00 C ATOM 0 H ALA A 59 4.753 -10.802 0.493 1.00 0.00 H new ATOM 0 HA ALA A 59 5.707 -13.558 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.935 -12.486 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.906 -11.760 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.156 -10.911 0.529 1.00 0.00 H new ATOM 909 N ASN A 60 5.875 -11.808 2.937 1.00 0.00 N ATOM 910 CA ASN A 60 6.043 -11.924 4.382 1.00 0.00 C ATOM 911 C ASN A 60 4.698 -11.826 5.095 1.00 0.00 C ATOM 912 O ASN A 60 4.138 -10.739 5.238 1.00 0.00 O ATOM 913 CB ASN A 60 6.986 -10.834 4.895 1.00 0.00 C ATOM 914 CG ASN A 60 8.014 -10.423 3.858 1.00 0.00 C ATOM 915 OD1 ASN A 60 7.666 -10.039 2.741 1.00 0.00 O ATOM 916 ND2 ASN A 60 9.288 -10.503 4.224 1.00 0.00 N ATOM 0 H ASN A 60 5.632 -10.871 2.614 1.00 0.00 H new ATOM 0 HA ASN A 60 6.477 -12.901 4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.402 -9.962 5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.498 -11.191 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.024 -10.241 3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.530 -10.827 5.160 1.00 0.00 H new ATOM 923 N ARG A 61 4.186 -12.968 5.541 1.00 0.00 N ATOM 924 CA ARG A 61 2.907 -13.011 6.239 1.00 0.00 C ATOM 925 C ARG A 61 3.056 -12.522 7.677 1.00 0.00 C ATOM 926 O ARG A 61 2.589 -13.168 8.616 1.00 0.00 O ATOM 927 CB ARG A 61 2.344 -14.434 6.229 1.00 0.00 C ATOM 928 CG ARG A 61 3.260 -15.456 6.883 1.00 0.00 C ATOM 929 CD ARG A 61 3.070 -16.839 6.281 1.00 0.00 C ATOM 930 NE ARG A 61 1.767 -17.408 6.617 1.00 0.00 N ATOM 931 CZ ARG A 61 1.517 -18.052 7.751 1.00 0.00 C ATOM 932 NH1 ARG A 61 2.475 -18.208 8.654 1.00 0.00 N ATOM 933 NH2 ARG A 61 0.306 -18.541 7.984 1.00 0.00 N ATOM 0 H ARG A 61 4.637 -13.876 5.431 1.00 0.00 H new ATOM 0 HA ARG A 61 2.215 -12.350 5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.383 -14.439 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.156 -14.734 5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.298 -15.145 6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.060 -15.493 7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.171 -16.780 5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.858 -17.502 6.639 1.00 0.00 H new ATOM 0 HE ARG A 61 1.008 -17.305 5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.407 -17.833 8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.280 -18.703 9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.434 -18.422 7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.115 -19.036 8.855 1.00 0.00 H new ATOM 947 N THR A 62 3.709 -11.376 7.842 1.00 0.00 N ATOM 948 CA THR A 62 3.921 -10.801 9.164 1.00 0.00 C ATOM 949 C THR A 62 4.112 -9.290 9.082 1.00 0.00 C ATOM 950 O THR A 62 4.091 -8.709 7.997 1.00 0.00 O ATOM 951 CB THR A 62 5.146 -11.424 9.859 1.00 0.00 C ATOM 952 OG1 THR A 62 6.251 -11.476 8.949 1.00 0.00 O ATOM 953 CG2 THR A 62 4.829 -12.825 10.360 1.00 0.00 C ATOM 0 H THR A 62 4.100 -10.828 7.076 1.00 0.00 H new ATOM 0 HA THR A 62 3.029 -11.021 9.751 1.00 0.00 H new ATOM 0 HB THR A 62 5.408 -10.800 10.714 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.027 -11.872 9.399 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.709 -13.245 10.847 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.006 -12.779 11.074 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.544 -13.457 9.519 1.00 0.00 H new ATOM 961 N CYS A 63 4.299 -8.659 10.236 1.00 0.00 N ATOM 962 CA CYS A 63 4.494 -7.215 10.296 1.00 0.00 C ATOM 963 C CYS A 63 5.969 -6.859 10.135 1.00 0.00 C ATOM 964 O CYS A 63 6.837 -7.367 10.844 1.00 0.00 O ATOM 965 CB CYS A 63 3.966 -6.663 11.622 1.00 0.00 C ATOM 966 SG CYS A 63 4.286 -4.886 11.866 1.00 0.00 S ATOM 0 H CYS A 63 4.320 -9.125 11.143 1.00 0.00 H new ATOM 0 HA CYS A 63 3.937 -6.763 9.475 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.892 -6.839 11.675 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.420 -7.219 12.442 1.00 0.00 H new ATOM 971 N PRO A 64 6.260 -5.964 9.179 1.00 0.00 N ATOM 972 CA PRO A 64 7.629 -5.518 8.902 1.00 0.00 C ATOM 973 C PRO A 64 8.194 -4.652 10.023 1.00 0.00 C ATOM 974 O PRO A 64 9.258 -4.048 9.877 1.00 0.00 O ATOM 975 CB PRO A 64 7.482 -4.701 7.616 1.00 0.00 C ATOM 976 CG PRO A 64 6.069 -4.230 7.625 1.00 0.00 C ATOM 977 CD PRO A 64 5.275 -5.317 8.295 1.00 0.00 C ATOM 0 HA PRO A 64 8.321 -6.355 8.814 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.178 -3.863 7.598 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.691 -5.308 6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.975 -3.288 8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.710 -4.053 6.611 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.435 -4.912 8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.864 -6.019 7.570 1.00 0.00 H new ATOM 985 N ILE A 65 7.477 -4.595 11.140 1.00 0.00 N ATOM 986 CA ILE A 65 7.909 -3.804 12.285 1.00 0.00 C ATOM 987 C ILE A 65 8.140 -4.686 13.507 1.00 0.00 C ATOM 988 O ILE A 65 9.271 -4.844 13.968 1.00 0.00 O ATOM 989 CB ILE A 65 6.878 -2.716 12.639 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.627 -1.810 11.432 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.357 -1.900 13.830 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.763 -0.609 11.748 1.00 0.00 C ATOM 0 H ILE A 65 6.594 -5.087 11.276 1.00 0.00 H new ATOM 0 HA ILE A 65 8.847 -3.326 12.002 1.00 0.00 H new ATOM 0 HB ILE A 65 5.939 -3.199 12.909 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.584 -1.466 11.041 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.151 -2.393 10.643 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.618 -1.135 14.068 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.491 -2.556 14.690 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.306 -1.423 13.586 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.627 -0.012 10.847 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.792 -0.945 12.111 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.247 -0.004 12.515 1.00 0.00 H new ATOM 1004 N CYS A 66 7.061 -5.261 14.027 1.00 0.00 N ATOM 1005 CA CYS A 66 7.144 -6.129 15.195 1.00 0.00 C ATOM 1006 C CYS A 66 7.046 -7.597 14.790 1.00 0.00 C ATOM 1007 O CYS A 66 6.680 -8.452 15.598 1.00 0.00 O ATOM 1008 CB CYS A 66 6.033 -5.788 16.191 1.00 0.00 C ATOM 1009 SG CYS A 66 4.350 -6.031 15.538 1.00 0.00 S ATOM 0 H CYS A 66 6.118 -5.141 13.657 1.00 0.00 H new ATOM 0 HA CYS A 66 8.111 -5.965 15.670 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.158 -6.403 17.083 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.144 -4.749 16.502 1.00 0.00 H new ATOM 1014 N ARG A 67 7.375 -7.882 13.535 1.00 0.00 N ATOM 1015 CA ARG A 67 7.324 -9.246 13.022 1.00 0.00 C ATOM 1016 C ARG A 67 6.105 -9.985 13.565 1.00 0.00 C ATOM 1017 O ARG A 67 6.101 -11.212 13.656 1.00 0.00 O ATOM 1018 CB ARG A 67 8.600 -10.002 13.394 1.00 0.00 C ATOM 1019 CG ARG A 67 9.719 -9.847 12.377 1.00 0.00 C ATOM 1020 CD ARG A 67 10.519 -8.576 12.617 1.00 0.00 C ATOM 1021 NE ARG A 67 11.581 -8.403 11.630 1.00 0.00 N ATOM 1022 CZ ARG A 67 12.504 -7.451 11.703 1.00 0.00 C ATOM 1023 NH1 ARG A 67 12.496 -6.591 12.712 1.00 0.00 N ATOM 1024 NH2 ARG A 67 13.439 -7.358 10.766 1.00 0.00 N ATOM 0 H ARG A 67 7.680 -7.187 12.854 1.00 0.00 H new ATOM 0 HA ARG A 67 7.244 -9.196 11.936 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.951 -9.650 14.364 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.366 -11.061 13.505 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.382 -10.711 12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.298 -9.829 11.372 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.851 -7.716 12.585 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.954 -8.605 13.616 1.00 0.00 H new ATOM 0 HE ARG A 67 11.616 -9.049 10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.780 -6.660 13.435 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.206 -5.861 12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.449 -8.018 9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.147 -6.626 10.823 1.00 0.00 H new ATOM 1038 N ALA A 68 5.073 -9.229 13.925 1.00 0.00 N ATOM 1039 CA ALA A 68 3.848 -9.813 14.458 1.00 0.00 C ATOM 1040 C ALA A 68 3.168 -10.704 13.423 1.00 0.00 C ATOM 1041 O ALA A 68 3.663 -10.862 12.306 1.00 0.00 O ATOM 1042 CB ALA A 68 2.898 -8.717 14.918 1.00 0.00 C ATOM 0 H ALA A 68 5.061 -8.211 13.857 1.00 0.00 H new ATOM 0 HA ALA A 68 4.113 -10.433 15.314 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.988 -9.167 15.314 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.377 -8.123 15.696 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.648 -8.074 14.074 1.00 0.00 H new ATOM 1048 N ASP A 69 2.035 -11.283 13.801 1.00 0.00 N ATOM 1049 CA ASP A 69 1.287 -12.158 12.905 1.00 0.00 C ATOM 1050 C ASP A 69 -0.014 -11.497 12.460 1.00 0.00 C ATOM 1051 O ASP A 69 -0.924 -11.294 13.262 1.00 0.00 O ATOM 1052 CB ASP A 69 0.987 -13.491 13.592 1.00 0.00 C ATOM 1053 CG ASP A 69 0.312 -14.482 12.665 1.00 0.00 C ATOM 1054 OD1 ASP A 69 0.456 -14.334 11.432 1.00 0.00 O ATOM 1055 OD2 ASP A 69 -0.359 -15.405 13.170 1.00 0.00 O ATOM 0 H ASP A 69 1.613 -11.163 14.722 1.00 0.00 H new ATOM 0 HA ASP A 69 1.900 -12.343 12.023 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.917 -13.922 13.964 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.348 -13.315 14.457 1.00 0.00 H new ATOM 1060 N SER A 70 -0.093 -11.164 11.176 1.00 0.00 N ATOM 1061 CA SER A 70 -1.280 -10.521 10.625 1.00 0.00 C ATOM 1062 C SER A 70 -2.464 -11.482 10.618 1.00 0.00 C ATOM 1063 O SER A 70 -3.605 -11.081 10.844 1.00 0.00 O ATOM 1064 CB SER A 70 -1.004 -10.024 9.204 1.00 0.00 C ATOM 1065 OG SER A 70 -0.621 -11.092 8.356 1.00 0.00 O ATOM 0 H SER A 70 0.651 -11.329 10.498 1.00 0.00 H new ATOM 0 HA SER A 70 -1.529 -9.669 11.258 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.896 -9.540 8.805 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.216 -9.272 9.225 1.00 0.00 H new ATOM 0 HG SER A 70 -1.159 -11.069 7.537 1.00 0.00 H new ATOM 1071 N GLY A 71 -2.184 -12.755 10.356 1.00 0.00 N ATOM 1072 CA GLY A 71 -3.235 -13.755 10.324 1.00 0.00 C ATOM 1073 C GLY A 71 -3.374 -14.407 8.962 1.00 0.00 C ATOM 1074 O GLY A 71 -3.036 -13.822 7.933 1.00 0.00 O ATOM 0 H GLY A 71 -1.248 -13.112 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.026 -14.521 11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.182 -13.291 10.600 1.00 0.00 H new ATOM 1078 N PRO A 72 -3.881 -15.649 8.945 1.00 0.00 N ATOM 1079 CA PRO A 72 -4.074 -16.408 7.706 1.00 0.00 C ATOM 1080 C PRO A 72 -5.193 -15.834 6.843 1.00 0.00 C ATOM 1081 O PRO A 72 -5.007 -15.592 5.650 1.00 0.00 O ATOM 1082 CB PRO A 72 -4.446 -17.807 8.202 1.00 0.00 C ATOM 1083 CG PRO A 72 -5.034 -17.587 9.553 1.00 0.00 C ATOM 1084 CD PRO A 72 -4.305 -16.407 10.134 1.00 0.00 C ATOM 0 HA PRO A 72 -3.187 -16.387 7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.160 -18.287 7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.571 -18.455 8.252 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.104 -17.390 9.486 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.911 -18.470 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.952 -15.813 10.780 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.452 -16.719 10.737 1.00 0.00 H new ATOM 1092 N SER A 73 -6.354 -15.618 7.453 1.00 0.00 N ATOM 1093 CA SER A 73 -7.503 -15.076 6.739 1.00 0.00 C ATOM 1094 C SER A 73 -7.065 -14.031 5.718 1.00 0.00 C ATOM 1095 O SER A 73 -7.384 -14.132 4.534 1.00 0.00 O ATOM 1096 CB SER A 73 -8.497 -14.457 7.725 1.00 0.00 C ATOM 1097 OG SER A 73 -9.203 -15.460 8.435 1.00 0.00 O ATOM 0 H SER A 73 -6.523 -15.810 8.440 1.00 0.00 H new ATOM 0 HA SER A 73 -7.989 -15.895 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.965 -13.816 8.428 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.202 -13.824 7.186 1.00 0.00 H new ATOM 0 HG SER A 73 -9.830 -15.039 9.059 1.00 0.00 H new ATOM 1103 N SER A 74 -6.330 -13.026 6.186 1.00 0.00 N ATOM 1104 CA SER A 74 -5.850 -11.960 5.316 1.00 0.00 C ATOM 1105 C SER A 74 -4.889 -12.507 4.265 1.00 0.00 C ATOM 1106 O SER A 74 -4.964 -12.148 3.091 1.00 0.00 O ATOM 1107 CB SER A 74 -5.158 -10.873 6.140 1.00 0.00 C ATOM 1108 OG SER A 74 -4.078 -11.408 6.885 1.00 0.00 O ATOM 0 H SER A 74 -6.054 -12.929 7.163 1.00 0.00 H new ATOM 0 HA SER A 74 -6.710 -11.527 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.794 -10.087 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.877 -10.412 6.817 1.00 0.00 H new ATOM 0 HG SER A 74 -4.236 -12.361 7.052 1.00 0.00 H new ATOM 1114 N GLY A 75 -3.984 -13.380 4.698 1.00 0.00 N ATOM 1115 CA GLY A 75 -3.019 -13.963 3.784 1.00 0.00 C ATOM 1116 C GLY A 75 -1.647 -13.333 3.909 1.00 0.00 C ATOM 1117 O GLY A 75 -1.520 -12.298 4.562 1.00 0.00 O ATOM 0 H GLY A 75 -3.902 -13.694 5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.943 -15.033 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.377 -13.847 2.761 1.00 0.00 H new TER 1121 GLY A 75 HETATM 1122 ZN ZN A 201 4.520 2.797 2.053 1.00 0.00 ZN HETATM 1123 ZN ZN A 401 3.486 -4.588 14.058 1.00 0.00 ZN