USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 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+ -152:sc= 0.00106 (180deg=0) USER MOD Single : A 2 SER OG : rot -54:sc= 0.217 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 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 18 HIS : no HD1:sc= 0.0522 K(o=0.052,f=-2.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 56:sc= 0.475 USER MOD Single : A 27 MET CE :methyl -165:sc= -0.798 (180deg=-1.36) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.301 F(o=-1.1,f=-0.3) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -51:sc= 0.38 USER MOD Single : A 53 ASN : amide:sc= -3.2! C(o=-3.2!,f=-4.5!) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.661 X(o=-0.66,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -134:sc= -3.01! (180deg=-10.4!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -9:sc= 0.22 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 61:sc= 0.0349 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.742 15.003 20.871 1.00 0.00 N ATOM 2 CA GLY A 1 -14.646 14.982 21.823 1.00 0.00 C ATOM 3 C GLY A 1 -13.789 13.739 21.693 1.00 0.00 C ATOM 4 O GLY A 1 -13.479 13.303 20.584 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.995 15.988 20.654 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.452 14.520 19.997 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.565 14.516 21.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.024 15.865 21.676 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.047 15.039 22.835 1.00 0.00 H new ATOM 8 N SER A 2 -13.403 13.167 22.829 1.00 0.00 N ATOM 9 CA SER A 2 -12.571 11.969 22.837 1.00 0.00 C ATOM 10 C SER A 2 -11.409 12.107 21.858 1.00 0.00 C ATOM 11 O SER A 2 -11.078 11.169 21.134 1.00 0.00 O ATOM 12 CB SER A 2 -13.408 10.738 22.483 1.00 0.00 C ATOM 13 OG SER A 2 -12.705 9.543 22.770 1.00 0.00 O ATOM 0 H SER A 2 -13.653 13.513 23.755 1.00 0.00 H new ATOM 0 HA SER A 2 -12.164 11.846 23.841 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.343 10.757 23.043 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.670 10.764 21.425 1.00 0.00 H new ATOM 0 HG SER A 2 -11.835 9.559 22.320 1.00 0.00 H new ATOM 19 N SER A 3 -10.794 13.285 21.843 1.00 0.00 N ATOM 20 CA SER A 3 -9.671 13.549 20.951 1.00 0.00 C ATOM 21 C SER A 3 -8.355 13.556 21.721 1.00 0.00 C ATOM 22 O SER A 3 -8.309 13.933 22.891 1.00 0.00 O ATOM 23 CB SER A 3 -9.864 14.889 20.237 1.00 0.00 C ATOM 24 OG SER A 3 -9.027 14.984 19.097 1.00 0.00 O ATOM 0 H SER A 3 -11.054 14.072 22.438 1.00 0.00 H new ATOM 0 HA SER A 3 -9.633 12.751 20.209 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.906 14.998 19.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.643 15.706 20.924 1.00 0.00 H new ATOM 0 HG SER A 3 -9.170 15.848 18.657 1.00 0.00 H new ATOM 30 N GLY A 4 -7.284 13.134 21.055 1.00 0.00 N ATOM 31 CA GLY A 4 -5.980 13.099 21.692 1.00 0.00 C ATOM 32 C GLY A 4 -5.369 11.712 21.684 1.00 0.00 C ATOM 33 O GLY A 4 -5.823 10.821 22.403 1.00 0.00 O ATOM 0 H GLY A 4 -7.296 12.816 20.086 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.310 13.791 21.181 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.072 13.446 22.721 1.00 0.00 H new ATOM 37 N SER A 5 -4.336 11.526 20.868 1.00 0.00 N ATOM 38 CA SER A 5 -3.665 10.236 20.765 1.00 0.00 C ATOM 39 C SER A 5 -2.220 10.410 20.309 1.00 0.00 C ATOM 40 O SER A 5 -1.839 11.468 19.807 1.00 0.00 O ATOM 41 CB SER A 5 -4.414 9.324 19.791 1.00 0.00 C ATOM 42 OG SER A 5 -4.594 9.957 18.537 1.00 0.00 O ATOM 0 H SER A 5 -3.946 12.253 20.268 1.00 0.00 H new ATOM 0 HA SER A 5 -3.662 9.776 21.753 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.859 8.396 19.657 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.384 9.058 20.210 1.00 0.00 H new ATOM 0 HG SER A 5 -5.073 9.353 17.932 1.00 0.00 H new ATOM 48 N SER A 6 -1.420 9.364 20.486 1.00 0.00 N ATOM 49 CA SER A 6 -0.015 9.401 20.096 1.00 0.00 C ATOM 50 C SER A 6 0.418 8.066 19.498 1.00 0.00 C ATOM 51 O SER A 6 0.250 7.014 20.112 1.00 0.00 O ATOM 52 CB SER A 6 0.862 9.740 21.303 1.00 0.00 C ATOM 53 OG SER A 6 0.488 10.983 21.872 1.00 0.00 O ATOM 0 H SER A 6 -1.720 8.480 20.897 1.00 0.00 H new ATOM 0 HA SER A 6 0.106 10.175 19.338 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.775 8.953 22.052 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.908 9.776 20.998 1.00 0.00 H new ATOM 0 HG SER A 6 1.062 11.176 22.642 1.00 0.00 H new ATOM 59 N GLY A 7 0.977 8.118 18.292 1.00 0.00 N ATOM 60 CA GLY A 7 1.426 6.908 17.630 1.00 0.00 C ATOM 61 C GLY A 7 2.837 7.032 17.089 1.00 0.00 C ATOM 62 O GLY A 7 3.034 7.311 15.907 1.00 0.00 O ATOM 0 H GLY A 7 1.127 8.977 17.762 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.381 6.076 18.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.746 6.672 16.812 1.00 0.00 H new ATOM 66 N ASP A 8 3.821 6.825 17.958 1.00 0.00 N ATOM 67 CA ASP A 8 5.222 6.916 17.561 1.00 0.00 C ATOM 68 C ASP A 8 5.498 6.045 16.339 1.00 0.00 C ATOM 69 O ASP A 8 5.393 4.821 16.402 1.00 0.00 O ATOM 70 CB ASP A 8 6.130 6.496 18.718 1.00 0.00 C ATOM 71 CG ASP A 8 7.576 6.892 18.493 1.00 0.00 C ATOM 72 OD1 ASP A 8 8.318 6.102 17.872 1.00 0.00 O ATOM 73 OD2 ASP A 8 7.965 7.992 18.936 1.00 0.00 O ATOM 0 H ASP A 8 3.675 6.593 18.941 1.00 0.00 H new ATOM 0 HA ASP A 8 5.434 7.953 17.301 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.771 6.951 19.641 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.069 5.416 18.850 1.00 0.00 H new ATOM 78 N GLN A 9 5.851 6.686 15.230 1.00 0.00 N ATOM 79 CA GLN A 9 6.140 5.970 13.993 1.00 0.00 C ATOM 80 C GLN A 9 7.446 6.458 13.374 1.00 0.00 C ATOM 81 O GLN A 9 7.717 7.659 13.339 1.00 0.00 O ATOM 82 CB GLN A 9 4.993 6.145 12.997 1.00 0.00 C ATOM 83 CG GLN A 9 4.898 5.023 11.975 1.00 0.00 C ATOM 84 CD GLN A 9 3.630 5.093 11.148 1.00 0.00 C ATOM 85 OE1 GLN A 9 2.755 4.234 11.259 1.00 0.00 O ATOM 86 NE2 GLN A 9 3.523 6.119 10.312 1.00 0.00 N ATOM 0 H GLN A 9 5.944 7.700 15.162 1.00 0.00 H new ATOM 0 HA GLN A 9 6.245 4.912 14.232 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.053 6.206 13.545 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.119 7.093 12.473 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.762 5.066 11.312 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.939 4.063 12.490 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.273 6.808 10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.691 6.218 9.730 1.00 0.00 H new ATOM 95 N ASP A 10 8.251 5.521 12.887 1.00 0.00 N ATOM 96 CA ASP A 10 9.528 5.855 12.268 1.00 0.00 C ATOM 97 C ASP A 10 9.555 5.419 10.806 1.00 0.00 C ATOM 98 O ASP A 10 10.622 5.275 10.209 1.00 0.00 O ATOM 99 CB ASP A 10 10.677 5.196 13.031 1.00 0.00 C ATOM 100 CG ASP A 10 11.959 6.002 12.958 1.00 0.00 C ATOM 101 OD1 ASP A 10 12.069 7.009 13.688 1.00 0.00 O ATOM 102 OD2 ASP A 10 12.853 5.626 12.170 1.00 0.00 O ATOM 0 H ASP A 10 8.042 4.523 12.909 1.00 0.00 H new ATOM 0 HA ASP A 10 9.650 6.937 12.307 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.390 5.069 14.075 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.854 4.200 12.626 1.00 0.00 H new ATOM 107 N THR A 11 8.373 5.209 10.235 1.00 0.00 N ATOM 108 CA THR A 11 8.260 4.787 8.845 1.00 0.00 C ATOM 109 C THR A 11 7.105 5.495 8.147 1.00 0.00 C ATOM 110 O THR A 11 6.021 5.644 8.714 1.00 0.00 O ATOM 111 CB THR A 11 8.056 3.264 8.735 1.00 0.00 C ATOM 112 OG1 THR A 11 8.920 2.586 9.654 1.00 0.00 O ATOM 113 CG2 THR A 11 8.334 2.781 7.319 1.00 0.00 C ATOM 0 H THR A 11 7.480 5.324 10.714 1.00 0.00 H new ATOM 0 HA THR A 11 9.196 5.057 8.356 1.00 0.00 H new ATOM 0 HB THR A 11 7.018 3.040 8.981 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.783 1.619 9.579 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.183 1.703 7.266 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.655 3.277 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.363 3.017 7.050 1.00 0.00 H new ATOM 121 N LEU A 12 7.341 5.928 6.914 1.00 0.00 N ATOM 122 CA LEU A 12 6.318 6.621 6.137 1.00 0.00 C ATOM 123 C LEU A 12 5.145 5.694 5.833 1.00 0.00 C ATOM 124 O LEU A 12 3.990 6.118 5.831 1.00 0.00 O ATOM 125 CB LEU A 12 6.914 7.154 4.833 1.00 0.00 C ATOM 126 CG LEU A 12 7.863 8.345 4.966 1.00 0.00 C ATOM 127 CD1 LEU A 12 8.816 8.403 3.782 1.00 0.00 C ATOM 128 CD2 LEU A 12 7.077 9.643 5.085 1.00 0.00 C ATOM 0 H LEU A 12 8.231 5.812 6.430 1.00 0.00 H new ATOM 0 HA LEU A 12 5.951 7.459 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.450 6.341 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.095 7.440 4.173 1.00 0.00 H new ATOM 0 HG LEU A 12 8.452 8.216 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.484 9.257 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.403 7.486 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.245 8.508 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.769 10.480 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.462 9.779 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.437 9.601 5.966 1.00 0.00 H new ATOM 140 N VAL A 13 5.451 4.426 5.576 1.00 0.00 N ATOM 141 CA VAL A 13 4.422 3.438 5.274 1.00 0.00 C ATOM 142 C VAL A 13 3.142 3.722 6.052 1.00 0.00 C ATOM 143 O VAL A 13 3.136 3.708 7.282 1.00 0.00 O ATOM 144 CB VAL A 13 4.901 2.011 5.599 1.00 0.00 C ATOM 145 CG1 VAL A 13 3.750 1.023 5.488 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.047 1.612 4.680 1.00 0.00 C ATOM 0 H VAL A 13 6.403 4.059 5.571 1.00 0.00 H new ATOM 0 HA VAL A 13 4.218 3.510 4.206 1.00 0.00 H new ATOM 0 HB VAL A 13 5.265 1.994 6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.108 0.020 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.964 1.300 6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.353 1.040 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.373 0.601 4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.711 1.645 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.879 2.304 4.814 1.00 0.00 H new ATOM 156 N GLN A 14 2.059 3.979 5.325 1.00 0.00 N ATOM 157 CA GLN A 14 0.772 4.266 5.948 1.00 0.00 C ATOM 158 C GLN A 14 -0.149 3.052 5.879 1.00 0.00 C ATOM 159 O GLN A 14 0.248 1.986 5.409 1.00 0.00 O ATOM 160 CB GLN A 14 0.108 5.464 5.267 1.00 0.00 C ATOM 161 CG GLN A 14 0.796 6.788 5.559 1.00 0.00 C ATOM 162 CD GLN A 14 0.228 7.483 6.780 1.00 0.00 C ATOM 163 OE1 GLN A 14 0.518 7.106 7.915 1.00 0.00 O ATOM 164 NE2 GLN A 14 -0.587 8.507 6.553 1.00 0.00 N ATOM 0 H GLN A 14 2.047 3.994 4.305 1.00 0.00 H new ATOM 0 HA GLN A 14 0.950 4.505 6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.098 5.299 4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.931 5.525 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.862 6.614 5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.697 7.443 4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.801 8.786 5.596 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.999 9.014 7.336 1.00 0.00 H new ATOM 173 N ARG A 15 -1.379 3.222 6.352 1.00 0.00 N ATOM 174 CA ARG A 15 -2.356 2.139 6.346 1.00 0.00 C ATOM 175 C ARG A 15 -3.773 2.687 6.203 1.00 0.00 C ATOM 176 O ARG A 15 -4.227 3.484 7.024 1.00 0.00 O ATOM 177 CB ARG A 15 -2.243 1.314 7.629 1.00 0.00 C ATOM 178 CG ARG A 15 -1.120 0.291 7.598 1.00 0.00 C ATOM 179 CD ARG A 15 -1.436 -0.909 8.477 1.00 0.00 C ATOM 180 NE ARG A 15 -2.525 -1.715 7.931 1.00 0.00 N ATOM 181 CZ ARG A 15 -2.966 -2.833 8.496 1.00 0.00 C ATOM 182 NH1 ARG A 15 -2.414 -3.276 9.617 1.00 0.00 N ATOM 183 NH2 ARG A 15 -3.962 -3.511 7.940 1.00 0.00 N ATOM 0 H ARG A 15 -1.723 4.099 6.744 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.145 1.497 5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.086 1.988 8.471 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.188 0.799 7.804 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.956 -0.041 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.193 0.756 7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.544 -1.527 8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.704 -0.566 9.476 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.971 -1.402 7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.648 -2.758 10.048 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.755 -4.135 10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.390 -3.174 7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.300 -4.370 8.375 1.00 0.00 H new ATOM 197 N ALA A 16 -4.467 2.254 5.156 1.00 0.00 N ATOM 198 CA ALA A 16 -5.832 2.699 4.907 1.00 0.00 C ATOM 199 C ALA A 16 -6.824 1.950 5.790 1.00 0.00 C ATOM 200 O ALA A 16 -6.877 0.720 5.774 1.00 0.00 O ATOM 201 CB ALA A 16 -6.187 2.516 3.438 1.00 0.00 C ATOM 0 H ALA A 16 -4.106 1.595 4.466 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.893 3.759 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.209 2.852 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.504 3.102 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.102 1.462 3.172 1.00 0.00 H new ATOM 207 N GLU A 17 -7.607 2.699 6.560 1.00 0.00 N ATOM 208 CA GLU A 17 -8.596 2.103 7.451 1.00 0.00 C ATOM 209 C GLU A 17 -9.696 1.406 6.655 1.00 0.00 C ATOM 210 O GLU A 17 -10.557 2.058 6.063 1.00 0.00 O ATOM 211 CB GLU A 17 -9.207 3.173 8.358 1.00 0.00 C ATOM 212 CG GLU A 17 -9.641 2.645 9.715 1.00 0.00 C ATOM 213 CD GLU A 17 -9.829 3.749 10.738 1.00 0.00 C ATOM 214 OE1 GLU A 17 -10.316 4.834 10.356 1.00 0.00 O ATOM 215 OE2 GLU A 17 -9.488 3.529 11.919 1.00 0.00 O ATOM 0 H GLU A 17 -7.576 3.718 6.585 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.091 1.359 8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.480 3.972 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.069 3.614 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.575 2.094 9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.896 1.939 10.081 1.00 0.00 H new ATOM 222 N HIS A 18 -9.660 0.078 6.646 1.00 0.00 N ATOM 223 CA HIS A 18 -10.653 -0.709 5.924 1.00 0.00 C ATOM 224 C HIS A 18 -12.059 -0.417 6.441 1.00 0.00 C ATOM 225 O HIS A 18 -12.434 -0.857 7.528 1.00 0.00 O ATOM 226 CB HIS A 18 -10.348 -2.201 6.057 1.00 0.00 C ATOM 227 CG HIS A 18 -9.285 -2.682 5.118 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.548 -3.501 4.040 1.00 0.00 N ATOM 229 CD2 HIS A 18 -7.952 -2.452 5.098 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.421 -3.756 3.399 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.438 -3.131 4.021 1.00 0.00 N ATOM 0 H HIS A 18 -8.954 -0.476 7.131 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.606 -0.429 4.872 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.038 -2.410 7.081 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.262 -2.767 5.879 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.396 -1.847 5.799 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.321 -4.371 2.517 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.456 -3.150 3.746 1.00 0.00 H new ATOM 240 N ILE A 19 -12.830 0.328 5.656 1.00 0.00 N ATOM 241 CA ILE A 19 -14.193 0.678 6.034 1.00 0.00 C ATOM 242 C ILE A 19 -15.196 -0.312 5.454 1.00 0.00 C ATOM 243 O ILE A 19 -15.268 -0.524 4.243 1.00 0.00 O ATOM 244 CB ILE A 19 -14.560 2.098 5.566 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.609 3.125 6.184 1.00 0.00 C ATOM 246 CG2 ILE A 19 -16.003 2.419 5.927 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.612 3.117 7.697 1.00 0.00 C ATOM 0 H ILE A 19 -12.534 0.701 4.754 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.238 0.640 7.122 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.459 2.144 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.597 2.930 5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.884 4.120 5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.247 3.426 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.667 1.703 5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.130 2.358 7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.915 3.870 8.066 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.615 3.342 8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.308 2.134 8.056 1.00 0.00 H new ATOM 259 N PRO A 20 -15.993 -0.934 6.336 1.00 0.00 N ATOM 260 CA PRO A 20 -17.009 -1.911 5.934 1.00 0.00 C ATOM 261 C PRO A 20 -18.173 -1.264 5.191 1.00 0.00 C ATOM 262 O PRO A 20 -18.279 -0.040 5.130 1.00 0.00 O ATOM 263 CB PRO A 20 -17.484 -2.497 7.266 1.00 0.00 C ATOM 264 CG PRO A 20 -17.205 -1.432 8.270 1.00 0.00 C ATOM 265 CD PRO A 20 -15.962 -0.730 7.794 1.00 0.00 C ATOM 0 HA PRO A 20 -16.610 -2.654 5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.545 -2.743 7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.951 -3.417 7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.041 -0.737 8.345 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.056 -1.860 9.262 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.975 0.329 8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.064 -1.156 8.241 1.00 0.00 H new ATOM 273 N ALA A 21 -19.044 -2.095 4.628 1.00 0.00 N ATOM 274 CA ALA A 21 -20.202 -1.603 3.892 1.00 0.00 C ATOM 275 C ALA A 21 -21.289 -1.113 4.842 1.00 0.00 C ATOM 276 O ALA A 21 -21.382 -1.566 5.982 1.00 0.00 O ATOM 277 CB ALA A 21 -20.748 -2.691 2.979 1.00 0.00 C ATOM 0 H ALA A 21 -18.970 -3.112 4.668 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.882 -0.758 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.613 -2.310 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.977 -2.992 2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.046 -3.552 3.577 1.00 0.00 H new ATOM 283 N GLY A 22 -22.111 -0.182 4.364 1.00 0.00 N ATOM 284 CA GLY A 22 -23.180 0.355 5.184 1.00 0.00 C ATOM 285 C GLY A 22 -22.666 1.254 6.291 1.00 0.00 C ATOM 286 O GLY A 22 -23.114 1.162 7.435 1.00 0.00 O ATOM 0 H GLY A 22 -22.055 0.209 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.869 0.917 4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.746 -0.467 5.621 1.00 0.00 H new ATOM 290 N LYS A 23 -21.722 2.125 5.953 1.00 0.00 N ATOM 291 CA LYS A 23 -21.145 3.045 6.927 1.00 0.00 C ATOM 292 C LYS A 23 -21.074 4.460 6.363 1.00 0.00 C ATOM 293 O LYS A 23 -21.595 5.402 6.960 1.00 0.00 O ATOM 294 CB LYS A 23 -19.745 2.577 7.334 1.00 0.00 C ATOM 295 CG LYS A 23 -19.749 1.552 8.455 1.00 0.00 C ATOM 296 CD LYS A 23 -20.101 2.187 9.790 1.00 0.00 C ATOM 297 CE LYS A 23 -20.222 1.143 10.889 1.00 0.00 C ATOM 298 NZ LYS A 23 -21.195 1.553 11.939 1.00 0.00 N ATOM 0 H LYS A 23 -21.340 2.214 5.012 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.789 3.055 7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.247 2.150 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.158 3.441 7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.466 0.764 8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.768 1.081 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.336 2.915 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.041 2.731 9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.535 0.193 10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.245 0.979 11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.249 0.815 12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.883 2.446 12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.133 1.685 11.510 1.00 0.00 H new ATOM 312 N ARG A 24 -20.429 4.602 5.209 1.00 0.00 N ATOM 313 CA ARG A 24 -20.292 5.902 4.565 1.00 0.00 C ATOM 314 C ARG A 24 -20.194 5.751 3.050 1.00 0.00 C ATOM 315 O ARG A 24 -19.632 4.777 2.547 1.00 0.00 O ATOM 316 CB ARG A 24 -19.056 6.630 5.097 1.00 0.00 C ATOM 317 CG ARG A 24 -18.892 8.037 4.543 1.00 0.00 C ATOM 318 CD ARG A 24 -17.427 8.434 4.457 1.00 0.00 C ATOM 319 NE ARG A 24 -16.865 8.743 5.769 1.00 0.00 N ATOM 320 CZ ARG A 24 -15.800 9.515 5.949 1.00 0.00 C ATOM 321 NH1 ARG A 24 -15.184 10.054 4.906 1.00 0.00 N ATOM 322 NH2 ARG A 24 -15.348 9.749 7.174 1.00 0.00 N ATOM 0 H ARG A 24 -19.993 3.832 4.701 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.180 6.490 4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.115 6.681 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.168 6.047 4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.344 8.095 3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.425 8.744 5.179 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.858 7.624 4.001 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.324 9.302 3.805 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.315 8.344 6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.528 9.876 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.366 10.647 5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.819 9.336 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.530 10.342 7.311 1.00 0.00 H new ATOM 336 N THR A 25 -20.745 6.721 2.327 1.00 0.00 N ATOM 337 CA THR A 25 -20.722 6.695 0.870 1.00 0.00 C ATOM 338 C THR A 25 -19.940 7.879 0.311 1.00 0.00 C ATOM 339 O THR A 25 -20.492 8.763 -0.344 1.00 0.00 O ATOM 340 CB THR A 25 -22.146 6.712 0.285 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.834 7.896 0.705 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.927 5.483 0.724 1.00 0.00 C ATOM 0 H THR A 25 -21.213 7.534 2.727 1.00 0.00 H new ATOM 0 HA THR A 25 -20.229 5.768 0.578 1.00 0.00 H new ATOM 0 HB THR A 25 -22.068 6.704 -0.802 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.313 8.685 0.448 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.930 5.518 0.298 1.00 0.00 H new ATOM 0 HG22 THR A 25 -22.416 4.584 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.995 5.465 1.812 1.00 0.00 H new ATOM 350 N PRO A 26 -18.625 7.898 0.575 1.00 0.00 N ATOM 351 CA PRO A 26 -17.740 8.968 0.106 1.00 0.00 C ATOM 352 C PRO A 26 -17.537 8.932 -1.405 1.00 0.00 C ATOM 353 O PRO A 26 -18.273 8.257 -2.124 1.00 0.00 O ATOM 354 CB PRO A 26 -16.422 8.681 0.830 1.00 0.00 C ATOM 355 CG PRO A 26 -16.457 7.219 1.113 1.00 0.00 C ATOM 356 CD PRO A 26 -17.902 6.877 1.350 1.00 0.00 C ATOM 0 HA PRO A 26 -18.150 9.956 0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.564 8.944 0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.341 9.261 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.054 6.650 0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.850 6.976 1.985 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -18.138 5.870 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.157 6.921 2.409 1.00 0.00 H new ATOM 364 N MET A 27 -16.533 9.663 -1.880 1.00 0.00 N ATOM 365 CA MET A 27 -16.232 9.712 -3.306 1.00 0.00 C ATOM 366 C MET A 27 -14.827 9.186 -3.584 1.00 0.00 C ATOM 367 O MET A 27 -13.849 9.666 -3.010 1.00 0.00 O ATOM 368 CB MET A 27 -16.366 11.144 -3.827 1.00 0.00 C ATOM 369 CG MET A 27 -17.756 11.474 -4.347 1.00 0.00 C ATOM 370 SD MET A 27 -18.182 10.542 -5.830 1.00 0.00 S ATOM 371 CE MET A 27 -19.951 10.815 -5.904 1.00 0.00 C ATOM 0 H MET A 27 -15.915 10.229 -1.299 1.00 0.00 H new ATOM 0 HA MET A 27 -16.948 9.075 -3.826 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.112 11.839 -3.026 1.00 0.00 H new ATOM 0 HB3 MET A 27 -15.641 11.300 -4.626 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.490 11.266 -3.568 1.00 0.00 H new ATOM 0 HG3 MET A 27 -17.815 12.541 -4.563 1.00 0.00 H new ATOM 0 HE1 MET A 27 -20.401 10.101 -6.594 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.382 10.681 -4.912 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.148 11.829 -6.251 1.00 0.00 H new ATOM 381 N CYS A 28 -14.735 8.198 -4.467 1.00 0.00 N ATOM 382 CA CYS A 28 -13.450 7.606 -4.821 1.00 0.00 C ATOM 383 C CYS A 28 -12.462 8.679 -5.268 1.00 0.00 C ATOM 384 O CYS A 28 -12.831 9.630 -5.956 1.00 0.00 O ATOM 385 CB CYS A 28 -13.631 6.569 -5.931 1.00 0.00 C ATOM 386 SG CYS A 28 -12.170 5.518 -6.213 1.00 0.00 S ATOM 0 H CYS A 28 -15.535 7.790 -4.951 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.048 7.114 -3.935 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.481 5.933 -5.684 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.878 7.085 -6.859 1.00 0.00 H new ATOM 391 N ALA A 29 -11.203 8.518 -4.873 1.00 0.00 N ATOM 392 CA ALA A 29 -10.161 9.470 -5.234 1.00 0.00 C ATOM 393 C ALA A 29 -9.510 9.095 -6.561 1.00 0.00 C ATOM 394 O ALA A 29 -8.394 9.521 -6.859 1.00 0.00 O ATOM 395 CB ALA A 29 -9.113 9.548 -4.134 1.00 0.00 C ATOM 0 H ALA A 29 -10.881 7.736 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.624 10.450 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.341 10.263 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.584 9.871 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.663 8.566 -3.990 1.00 0.00 H new ATOM 401 N HIS A 30 -10.215 8.295 -7.355 1.00 0.00 N ATOM 402 CA HIS A 30 -9.706 7.862 -8.652 1.00 0.00 C ATOM 403 C HIS A 30 -10.769 8.023 -9.734 1.00 0.00 C ATOM 404 O HIS A 30 -10.530 8.651 -10.766 1.00 0.00 O ATOM 405 CB HIS A 30 -9.247 6.406 -8.582 1.00 0.00 C ATOM 406 CG HIS A 30 -9.014 5.787 -9.926 1.00 0.00 C ATOM 407 ND1 HIS A 30 -9.888 5.369 -10.872 1.00 0.00 N flip ATOM 408 CD2 HIS A 30 -7.756 5.532 -10.430 1.00 0.00 C flip ATOM 409 CE1 HIS A 30 -9.149 4.876 -11.919 1.00 0.00 C flip ATOM 410 NE2 HIS A 30 -7.866 4.986 -11.628 1.00 0.00 N flip ATOM 0 H HIS A 30 -11.140 7.933 -7.123 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.854 8.491 -8.910 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.326 6.351 -8.001 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.996 5.823 -8.047 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.826 5.745 -9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.552 4.465 -12.833 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.092 4.698 -12.226 1.00 0.00 H new ATOM 419 N CYS A 31 -11.943 7.450 -9.493 1.00 0.00 N ATOM 420 CA CYS A 31 -13.043 7.527 -10.447 1.00 0.00 C ATOM 421 C CYS A 31 -14.023 8.631 -10.059 1.00 0.00 C ATOM 422 O CYS A 31 -14.889 9.010 -10.846 1.00 0.00 O ATOM 423 CB CYS A 31 -13.774 6.185 -10.524 1.00 0.00 C ATOM 424 SG CYS A 31 -14.345 5.555 -8.913 1.00 0.00 S ATOM 0 H CYS A 31 -12.157 6.927 -8.644 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.626 7.763 -11.426 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.633 6.289 -11.186 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.111 5.448 -10.976 1.00 0.00 H new ATOM 429 N ASN A 32 -13.878 9.142 -8.840 1.00 0.00 N ATOM 430 CA ASN A 32 -14.750 10.202 -8.347 1.00 0.00 C ATOM 431 C ASN A 32 -16.203 9.737 -8.310 1.00 0.00 C ATOM 432 O ASN A 32 -17.124 10.536 -8.479 1.00 0.00 O ATOM 433 CB ASN A 32 -14.623 11.446 -9.229 1.00 0.00 C ATOM 434 CG ASN A 32 -13.540 12.390 -8.743 1.00 0.00 C ATOM 435 OD1 ASN A 32 -13.828 13.448 -8.185 1.00 0.00 O ATOM 436 ND2 ASN A 32 -12.285 12.009 -8.955 1.00 0.00 N ATOM 0 H ASN A 32 -13.165 8.839 -8.176 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.441 10.451 -7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.404 11.142 -10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.577 11.972 -9.250 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.513 12.603 -8.651 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.093 11.123 -9.422 1.00 0.00 H new ATOM 443 N GLN A 33 -16.399 8.442 -8.086 1.00 0.00 N ATOM 444 CA GLN A 33 -17.739 7.872 -8.026 1.00 0.00 C ATOM 445 C GLN A 33 -18.087 7.446 -6.603 1.00 0.00 C ATOM 446 O GLN A 33 -17.259 6.870 -5.897 1.00 0.00 O ATOM 447 CB GLN A 33 -17.850 6.674 -8.971 1.00 0.00 C ATOM 448 CG GLN A 33 -17.623 7.028 -10.432 1.00 0.00 C ATOM 449 CD GLN A 33 -18.905 7.411 -11.145 1.00 0.00 C ATOM 450 OE1 GLN A 33 -19.830 7.951 -10.537 1.00 0.00 O ATOM 451 NE2 GLN A 33 -18.968 7.133 -12.442 1.00 0.00 N ATOM 0 H GLN A 33 -15.647 7.768 -7.943 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.447 8.640 -8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.124 5.918 -8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.838 6.227 -8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.915 7.854 -10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.168 6.178 -10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.178 6.685 -12.906 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.806 7.368 -12.974 1.00 0.00 H new ATOM 460 N VAL A 34 -19.317 7.733 -6.189 1.00 0.00 N ATOM 461 CA VAL A 34 -19.774 7.380 -4.850 1.00 0.00 C ATOM 462 C VAL A 34 -19.541 5.901 -4.563 1.00 0.00 C ATOM 463 O VAL A 34 -19.746 5.050 -5.428 1.00 0.00 O ATOM 464 CB VAL A 34 -21.270 7.697 -4.666 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.092 7.060 -5.777 1.00 0.00 C ATOM 466 CG2 VAL A 34 -21.750 7.229 -3.301 1.00 0.00 C ATOM 0 H VAL A 34 -20.015 8.209 -6.761 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.194 7.980 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.404 8.777 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.146 7.295 -5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.764 7.449 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.955 5.979 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -22.809 7.461 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.603 6.153 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.182 7.737 -2.522 1.00 0.00 H new ATOM 476 N ILE A 35 -19.111 5.602 -3.341 1.00 0.00 N ATOM 477 CA ILE A 35 -18.851 4.226 -2.939 1.00 0.00 C ATOM 478 C ILE A 35 -19.976 3.687 -2.062 1.00 0.00 C ATOM 479 O ILE A 35 -20.366 4.317 -1.079 1.00 0.00 O ATOM 480 CB ILE A 35 -17.518 4.104 -2.177 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.380 4.718 -2.994 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.222 2.646 -1.858 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.138 5.006 -2.179 1.00 0.00 C ATOM 0 H ILE A 35 -18.936 6.295 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.792 3.636 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.602 4.651 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.122 4.041 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.729 5.645 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.277 2.576 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -18.023 2.239 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.154 2.077 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.373 5.440 -2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.381 5.707 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.764 4.078 -1.746 1.00 0.00 H new ATOM 495 N ARG A 36 -20.493 2.518 -2.424 1.00 0.00 N ATOM 496 CA ARG A 36 -21.574 1.894 -1.670 1.00 0.00 C ATOM 497 C ARG A 36 -21.027 0.853 -0.697 1.00 0.00 C ATOM 498 O ARG A 36 -21.324 0.888 0.497 1.00 0.00 O ATOM 499 CB ARG A 36 -22.578 1.241 -2.621 1.00 0.00 C ATOM 500 CG ARG A 36 -23.178 2.206 -3.630 1.00 0.00 C ATOM 501 CD ARG A 36 -24.222 1.525 -4.501 1.00 0.00 C ATOM 502 NE ARG A 36 -23.619 0.829 -5.635 1.00 0.00 N ATOM 503 CZ ARG A 36 -23.294 1.428 -6.775 1.00 0.00 C ATOM 504 NH1 ARG A 36 -23.511 2.726 -6.932 1.00 0.00 N ATOM 505 NH2 ARG A 36 -22.749 0.727 -7.761 1.00 0.00 N ATOM 0 H ARG A 36 -20.181 1.983 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.080 2.672 -1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -22.084 0.430 -3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.382 0.794 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.633 3.046 -3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.387 2.614 -4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.789 0.814 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -24.930 2.269 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 36 -23.438 -0.171 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -23.929 3.268 -6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -23.260 3.183 -7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.580 -0.272 -7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.499 1.187 -8.636 1.00 0.00 H new ATOM 519 N GLY A 37 -20.228 -0.073 -1.217 1.00 0.00 N ATOM 520 CA GLY A 37 -19.653 -1.111 -0.381 1.00 0.00 C ATOM 521 C GLY A 37 -18.491 -0.608 0.452 1.00 0.00 C ATOM 522 O GLY A 37 -18.350 0.590 0.699 1.00 0.00 O ATOM 0 H GLY A 37 -19.968 -0.123 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.423 -1.510 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.315 -1.934 -1.010 1.00 0.00 H new ATOM 526 N PRO A 38 -17.635 -1.537 0.902 1.00 0.00 N ATOM 527 CA PRO A 38 -16.465 -1.204 1.720 1.00 0.00 C ATOM 528 C PRO A 38 -15.395 -0.461 0.928 1.00 0.00 C ATOM 529 O PRO A 38 -15.078 -0.829 -0.204 1.00 0.00 O ATOM 530 CB PRO A 38 -15.944 -2.573 2.168 1.00 0.00 C ATOM 531 CG PRO A 38 -16.419 -3.519 1.120 1.00 0.00 C ATOM 532 CD PRO A 38 -17.742 -2.983 0.646 1.00 0.00 C ATOM 0 HA PRO A 38 -16.721 -0.539 2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.857 -2.578 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.332 -2.843 3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.706 -3.581 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.528 -4.526 1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.905 -3.193 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.574 -3.427 1.192 1.00 0.00 H new ATOM 540 N PHE A 39 -14.841 0.587 1.528 1.00 0.00 N ATOM 541 CA PHE A 39 -13.807 1.383 0.877 1.00 0.00 C ATOM 542 C PHE A 39 -12.610 1.581 1.803 1.00 0.00 C ATOM 543 O PHE A 39 -12.626 1.154 2.958 1.00 0.00 O ATOM 544 CB PHE A 39 -14.370 2.742 0.455 1.00 0.00 C ATOM 545 CG PHE A 39 -14.732 3.627 1.613 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.747 4.270 2.346 1.00 0.00 C ATOM 547 CD2 PHE A 39 -16.057 3.816 1.970 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.077 5.085 3.412 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.393 4.630 3.035 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.402 5.265 3.758 1.00 0.00 C ATOM 0 H PHE A 39 -15.091 0.905 2.464 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.473 0.845 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.635 3.253 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.255 2.584 -0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.709 4.132 2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.837 3.321 1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.299 5.581 3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.430 4.770 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.662 5.900 4.592 1.00 0.00 H new ATOM 560 N LEU A 40 -11.573 2.231 1.287 1.00 0.00 N ATOM 561 CA LEU A 40 -10.366 2.486 2.066 1.00 0.00 C ATOM 562 C LEU A 40 -10.118 3.984 2.212 1.00 0.00 C ATOM 563 O LEU A 40 -10.084 4.717 1.224 1.00 0.00 O ATOM 564 CB LEU A 40 -9.158 1.819 1.405 1.00 0.00 C ATOM 565 CG LEU A 40 -9.448 0.551 0.601 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.267 0.204 -0.292 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.774 -0.607 1.532 1.00 0.00 C ATOM 0 H LEU A 40 -11.543 2.591 0.333 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.509 2.062 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.685 2.544 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.433 1.575 2.181 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.315 0.736 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.491 -0.701 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.080 1.026 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.382 0.038 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.978 -1.501 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.927 -0.793 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.651 -0.358 2.129 1.00 0.00 H new ATOM 579 N VAL A 41 -9.943 4.432 3.451 1.00 0.00 N ATOM 580 CA VAL A 41 -9.694 5.842 3.726 1.00 0.00 C ATOM 581 C VAL A 41 -8.230 6.084 4.076 1.00 0.00 C ATOM 582 O VAL A 41 -7.719 5.545 5.057 1.00 0.00 O ATOM 583 CB VAL A 41 -10.578 6.353 4.880 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.759 5.270 5.933 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.979 7.609 5.493 1.00 0.00 C ATOM 0 H VAL A 41 -9.969 3.839 4.280 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.942 6.390 2.817 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.560 6.605 4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.386 5.649 6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.235 4.400 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.786 4.985 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.616 7.956 6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.985 7.386 5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.906 8.386 4.732 1.00 0.00 H new ATOM 595 N ALA A 42 -7.561 6.898 3.267 1.00 0.00 N ATOM 596 CA ALA A 42 -6.156 7.214 3.492 1.00 0.00 C ATOM 597 C ALA A 42 -5.786 8.552 2.860 1.00 0.00 C ATOM 598 O ALA A 42 -6.467 9.031 1.953 1.00 0.00 O ATOM 599 CB ALA A 42 -5.271 6.105 2.942 1.00 0.00 C ATOM 0 H ALA A 42 -7.969 7.351 2.449 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.994 7.293 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.224 6.354 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.509 5.167 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.445 5.998 1.871 1.00 0.00 H new ATOM 605 N LEU A 43 -4.704 9.150 3.345 1.00 0.00 N ATOM 606 CA LEU A 43 -4.243 10.434 2.828 1.00 0.00 C ATOM 607 C LEU A 43 -5.370 11.462 2.840 1.00 0.00 C ATOM 608 O LEU A 43 -5.366 12.411 2.057 1.00 0.00 O ATOM 609 CB LEU A 43 -3.703 10.269 1.406 1.00 0.00 C ATOM 610 CG LEU A 43 -2.259 9.780 1.289 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.377 10.470 2.319 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.192 8.269 1.454 1.00 0.00 C ATOM 0 H LEU A 43 -4.129 8.767 4.095 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.442 10.792 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.347 9.569 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.783 11.228 0.895 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.889 10.033 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.353 10.110 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.400 11.547 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.745 10.248 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.157 7.939 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.580 7.992 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.791 7.791 0.678 1.00 0.00 H new ATOM 624 N GLY A 44 -6.333 11.267 3.735 1.00 0.00 N ATOM 625 CA GLY A 44 -7.452 12.186 3.834 1.00 0.00 C ATOM 626 C GLY A 44 -8.406 12.065 2.663 1.00 0.00 C ATOM 627 O GLY A 44 -8.987 13.057 2.220 1.00 0.00 O ATOM 0 H GLY A 44 -6.358 10.489 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.993 11.996 4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.076 13.208 3.888 1.00 0.00 H new ATOM 631 N LYS A 45 -8.569 10.847 2.158 1.00 0.00 N ATOM 632 CA LYS A 45 -9.459 10.599 1.030 1.00 0.00 C ATOM 633 C LYS A 45 -9.887 9.136 0.986 1.00 0.00 C ATOM 634 O LYS A 45 -9.368 8.305 1.732 1.00 0.00 O ATOM 635 CB LYS A 45 -8.771 10.980 -0.283 1.00 0.00 C ATOM 636 CG LYS A 45 -8.946 12.441 -0.660 1.00 0.00 C ATOM 637 CD LYS A 45 -8.490 12.707 -2.085 1.00 0.00 C ATOM 638 CE LYS A 45 -7.968 14.127 -2.246 1.00 0.00 C ATOM 639 NZ LYS A 45 -8.009 14.575 -3.666 1.00 0.00 N ATOM 0 H LYS A 45 -8.096 10.016 2.512 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.348 11.216 1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.707 10.759 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.167 10.357 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.994 12.722 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.377 13.066 0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.708 11.998 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.321 12.544 -2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.563 14.804 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.944 14.181 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.645 15.547 -3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.420 13.944 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.990 14.547 -4.011 1.00 0.00 H new ATOM 653 N SER A 46 -10.835 8.827 0.107 1.00 0.00 N ATOM 654 CA SER A 46 -11.334 7.464 -0.032 1.00 0.00 C ATOM 655 C SER A 46 -10.966 6.887 -1.395 1.00 0.00 C ATOM 656 O SER A 46 -10.934 7.603 -2.396 1.00 0.00 O ATOM 657 CB SER A 46 -12.852 7.432 0.155 1.00 0.00 C ATOM 658 OG SER A 46 -13.520 7.849 -1.023 1.00 0.00 O ATOM 0 H SER A 46 -11.273 9.502 -0.520 1.00 0.00 H new ATOM 0 HA SER A 46 -10.867 6.852 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.168 6.422 0.418 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.133 8.080 0.985 1.00 0.00 H new ATOM 0 HG SER A 46 -13.152 8.707 -1.321 1.00 0.00 H new ATOM 664 N TRP A 47 -10.688 5.589 -1.426 1.00 0.00 N ATOM 665 CA TRP A 47 -10.322 4.914 -2.666 1.00 0.00 C ATOM 666 C TRP A 47 -11.059 3.587 -2.802 1.00 0.00 C ATOM 667 O TRP A 47 -11.630 3.080 -1.835 1.00 0.00 O ATOM 668 CB TRP A 47 -8.811 4.681 -2.717 1.00 0.00 C ATOM 669 CG TRP A 47 -8.014 5.837 -2.193 1.00 0.00 C ATOM 670 CD1 TRP A 47 -7.866 6.206 -0.886 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.256 6.775 -2.965 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.063 7.317 -0.800 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.675 7.685 -2.061 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.010 6.933 -4.331 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -5.865 8.737 -2.481 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.207 7.978 -4.747 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.642 8.868 -3.825 1.00 0.00 C ATOM 0 H TRP A 47 -10.709 4.982 -0.606 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.612 5.555 -3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.568 3.790 -2.139 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.516 4.483 -3.747 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.314 5.699 -0.044 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.798 7.791 0.063 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.440 6.251 -5.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.429 9.425 -1.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.012 8.111 -5.801 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.018 9.674 -4.182 1.00 0.00 H new ATOM 688 N HIS A 48 -11.043 3.026 -4.007 1.00 0.00 N ATOM 689 CA HIS A 48 -11.710 1.756 -4.269 1.00 0.00 C ATOM 690 C HIS A 48 -10.762 0.585 -4.026 1.00 0.00 C ATOM 691 O HIS A 48 -9.610 0.587 -4.459 1.00 0.00 O ATOM 692 CB HIS A 48 -12.231 1.715 -5.706 1.00 0.00 C ATOM 693 CG HIS A 48 -13.633 2.221 -5.849 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.051 2.991 -6.914 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.717 2.062 -5.054 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.330 3.285 -6.767 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.759 2.733 -5.646 1.00 0.00 N ATOM 0 H HIS A 48 -10.575 3.431 -4.818 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.552 1.668 -3.583 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.573 2.309 -6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.185 0.689 -6.072 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.755 1.510 -4.126 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.924 3.876 -7.448 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.709 2.795 -5.280 1.00 0.00 H new ATOM 705 N PRO A 49 -11.257 -0.440 -3.316 1.00 0.00 N ATOM 706 CA PRO A 49 -10.471 -1.636 -2.999 1.00 0.00 C ATOM 707 C PRO A 49 -10.198 -2.493 -4.230 1.00 0.00 C ATOM 708 O PRO A 49 -9.594 -3.561 -4.132 1.00 0.00 O ATOM 709 CB PRO A 49 -11.359 -2.392 -2.007 1.00 0.00 C ATOM 710 CG PRO A 49 -12.744 -1.940 -2.319 1.00 0.00 C ATOM 711 CD PRO A 49 -12.622 -0.510 -2.768 1.00 0.00 C ATOM 0 HA PRO A 49 -9.487 -1.384 -2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.258 -3.471 -2.127 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.089 -2.159 -0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.189 -2.557 -3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.387 -2.020 -1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.370 -0.260 -3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.758 0.185 -1.939 1.00 0.00 H new ATOM 719 N GLU A 50 -10.646 -2.018 -5.388 1.00 0.00 N ATOM 720 CA GLU A 50 -10.450 -2.743 -6.637 1.00 0.00 C ATOM 721 C GLU A 50 -9.409 -2.048 -7.511 1.00 0.00 C ATOM 722 O GLU A 50 -8.724 -2.691 -8.306 1.00 0.00 O ATOM 723 CB GLU A 50 -11.772 -2.862 -7.398 1.00 0.00 C ATOM 724 CG GLU A 50 -12.666 -3.982 -6.893 1.00 0.00 C ATOM 725 CD GLU A 50 -12.353 -5.316 -7.544 1.00 0.00 C ATOM 726 OE1 GLU A 50 -11.398 -5.984 -7.096 1.00 0.00 O ATOM 727 OE2 GLU A 50 -13.062 -5.690 -8.501 1.00 0.00 O ATOM 0 H GLU A 50 -11.147 -1.135 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.088 -3.742 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.311 -1.917 -7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.560 -3.026 -8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.553 -4.073 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.708 -3.724 -7.084 1.00 0.00 H new ATOM 734 N GLU A 51 -9.298 -0.733 -7.357 1.00 0.00 N ATOM 735 CA GLU A 51 -8.342 0.049 -8.132 1.00 0.00 C ATOM 736 C GLU A 51 -7.102 0.371 -7.303 1.00 0.00 C ATOM 737 O GLU A 51 -5.980 0.354 -7.810 1.00 0.00 O ATOM 738 CB GLU A 51 -8.990 1.344 -8.626 1.00 0.00 C ATOM 739 CG GLU A 51 -10.056 1.126 -9.686 1.00 0.00 C ATOM 740 CD GLU A 51 -10.981 2.318 -9.837 1.00 0.00 C ATOM 741 OE1 GLU A 51 -11.392 2.884 -8.802 1.00 0.00 O ATOM 742 OE2 GLU A 51 -11.294 2.685 -10.988 1.00 0.00 O ATOM 0 H GLU A 51 -9.858 -0.186 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.037 -0.547 -8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.434 1.864 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.216 1.996 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.575 0.920 -10.642 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.644 0.245 -9.429 1.00 0.00 H new ATOM 749 N PHE A 52 -7.313 0.665 -6.024 1.00 0.00 N ATOM 750 CA PHE A 52 -6.214 0.993 -5.124 1.00 0.00 C ATOM 751 C PHE A 52 -5.044 0.034 -5.322 1.00 0.00 C ATOM 752 O PHE A 52 -5.015 -1.053 -4.746 1.00 0.00 O ATOM 753 CB PHE A 52 -6.687 0.946 -3.669 1.00 0.00 C ATOM 754 CG PHE A 52 -5.853 1.782 -2.741 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.501 3.078 -3.081 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.422 1.272 -1.527 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.734 3.849 -2.229 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.655 2.038 -0.670 1.00 0.00 C ATOM 759 CZ PHE A 52 -4.311 3.329 -1.021 1.00 0.00 C ATOM 0 H PHE A 52 -8.235 0.683 -5.588 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.876 2.003 -5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.722 1.286 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.674 -0.088 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.830 3.491 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.689 0.264 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.465 4.857 -2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.325 1.628 0.273 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.713 3.930 -0.353 1.00 0.00 H new ATOM 769 N ASN A 53 -4.081 0.445 -6.141 1.00 0.00 N ATOM 770 CA ASN A 53 -2.909 -0.378 -6.416 1.00 0.00 C ATOM 771 C ASN A 53 -1.637 0.463 -6.394 1.00 0.00 C ATOM 772 O ASN A 53 -1.692 1.693 -6.417 1.00 0.00 O ATOM 773 CB ASN A 53 -3.053 -1.069 -7.774 1.00 0.00 C ATOM 774 CG ASN A 53 -3.678 -0.165 -8.819 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.479 1.049 -8.805 1.00 0.00 O ATOM 776 ND2 ASN A 53 -4.439 -0.756 -9.733 1.00 0.00 N ATOM 0 H ASN A 53 -4.089 1.343 -6.625 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.836 -1.136 -5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.072 -1.394 -8.119 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.664 -1.965 -7.660 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.886 -0.200 -10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.576 -1.766 -9.706 1.00 0.00 H new ATOM 783 N CYS A 54 -0.491 -0.208 -6.349 1.00 0.00 N ATOM 784 CA CYS A 54 0.796 0.476 -6.324 1.00 0.00 C ATOM 785 C CYS A 54 1.034 1.236 -7.625 1.00 0.00 C ATOM 786 O CYS A 54 0.242 1.146 -8.562 1.00 0.00 O ATOM 787 CB CYS A 54 1.927 -0.529 -6.094 1.00 0.00 C ATOM 788 SG CYS A 54 3.374 0.164 -5.231 1.00 0.00 S ATOM 0 H CYS A 54 -0.428 -1.226 -6.329 1.00 0.00 H new ATOM 0 HA CYS A 54 0.782 1.192 -5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.541 -1.369 -5.516 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.248 -0.926 -7.057 1.00 0.00 H new ATOM 793 N ALA A 55 2.131 1.986 -7.674 1.00 0.00 N ATOM 794 CA ALA A 55 2.474 2.760 -8.860 1.00 0.00 C ATOM 795 C ALA A 55 3.538 2.050 -9.690 1.00 0.00 C ATOM 796 O ALA A 55 3.598 2.209 -10.910 1.00 0.00 O ATOM 797 CB ALA A 55 2.951 4.149 -8.464 1.00 0.00 C ATOM 0 H ALA A 55 2.797 2.073 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 55 1.577 2.857 -9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.204 4.716 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.159 4.664 -7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.832 4.064 -7.828 1.00 0.00 H new ATOM 803 N HIS A 56 4.378 1.266 -9.021 1.00 0.00 N ATOM 804 CA HIS A 56 5.441 0.531 -9.698 1.00 0.00 C ATOM 805 C HIS A 56 5.042 -0.925 -9.916 1.00 0.00 C ATOM 806 O HIS A 56 4.996 -1.405 -11.049 1.00 0.00 O ATOM 807 CB HIS A 56 6.735 0.601 -8.886 1.00 0.00 C ATOM 808 CG HIS A 56 7.814 -0.303 -9.399 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.522 -0.049 -10.555 1.00 0.00 N ATOM 810 CD2 HIS A 56 8.304 -1.464 -8.906 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.401 -1.016 -10.751 1.00 0.00 C ATOM 812 NE2 HIS A 56 9.290 -1.887 -9.764 1.00 0.00 N ATOM 0 H HIS A 56 4.343 1.123 -8.012 1.00 0.00 H new ATOM 0 HA HIS A 56 5.606 0.994 -10.671 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.101 1.628 -8.889 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.518 0.343 -7.849 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.980 -1.965 -8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.093 -1.083 -11.578 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.846 -2.735 -9.656 1.00 0.00 H new ATOM 821 N CYS A 57 4.753 -1.624 -8.823 1.00 0.00 N ATOM 822 CA CYS A 57 4.359 -3.026 -8.893 1.00 0.00 C ATOM 823 C CYS A 57 2.883 -3.158 -9.259 1.00 0.00 C ATOM 824 O CYS A 57 2.399 -4.252 -9.549 1.00 0.00 O ATOM 825 CB CYS A 57 4.629 -3.721 -7.557 1.00 0.00 C ATOM 826 SG CYS A 57 3.536 -3.180 -6.204 1.00 0.00 S ATOM 0 H CYS A 57 4.784 -1.242 -7.878 1.00 0.00 H new ATOM 0 HA CYS A 57 4.953 -3.506 -9.671 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.519 -4.797 -7.691 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.664 -3.540 -7.268 1.00 0.00 H new ATOM 831 N LYS A 58 2.172 -2.035 -9.242 1.00 0.00 N ATOM 832 CA LYS A 58 0.752 -2.023 -9.573 1.00 0.00 C ATOM 833 C LYS A 58 0.032 -3.200 -8.924 1.00 0.00 C ATOM 834 O LYS A 58 -0.724 -3.915 -9.580 1.00 0.00 O ATOM 835 CB LYS A 58 0.561 -2.067 -11.090 1.00 0.00 C ATOM 836 CG LYS A 58 1.275 -0.947 -11.827 1.00 0.00 C ATOM 837 CD LYS A 58 0.409 0.298 -11.923 1.00 0.00 C ATOM 838 CE LYS A 58 -0.665 0.149 -12.989 1.00 0.00 C ATOM 839 NZ LYS A 58 -1.529 1.358 -13.078 1.00 0.00 N ATOM 0 H LYS A 58 2.557 -1.121 -9.002 1.00 0.00 H new ATOM 0 HA LYS A 58 0.322 -1.099 -9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.921 -3.025 -11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.504 -2.017 -11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.205 -0.706 -11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.544 -1.283 -12.829 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.059 0.492 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.034 1.161 -12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.195 -0.033 -13.955 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.281 -0.722 -12.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.248 1.217 -13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.998 1.518 -12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.945 2.185 -13.317 1.00 0.00 H new ATOM 853 N ASN A 59 0.272 -3.395 -7.631 1.00 0.00 N ATOM 854 CA ASN A 59 -0.355 -4.486 -6.893 1.00 0.00 C ATOM 855 C ASN A 59 -1.282 -3.947 -5.808 1.00 0.00 C ATOM 856 O ASN A 59 -1.073 -2.852 -5.285 1.00 0.00 O ATOM 857 CB ASN A 59 0.712 -5.385 -6.267 1.00 0.00 C ATOM 858 CG ASN A 59 1.523 -6.132 -7.309 1.00 0.00 C ATOM 859 OD1 ASN A 59 1.019 -6.468 -8.381 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.787 -6.394 -6.998 1.00 0.00 N ATOM 0 H ASN A 59 0.896 -2.812 -7.073 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.948 -5.072 -7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.381 -4.779 -5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.233 -6.102 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.382 -6.893 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.163 -6.097 -6.098 1.00 0.00 H new ATOM 867 N THR A 60 -2.307 -4.724 -5.473 1.00 0.00 N ATOM 868 CA THR A 60 -3.267 -4.325 -4.451 1.00 0.00 C ATOM 869 C THR A 60 -2.561 -3.750 -3.229 1.00 0.00 C ATOM 870 O THR A 60 -1.654 -4.371 -2.675 1.00 0.00 O ATOM 871 CB THR A 60 -4.145 -5.512 -4.012 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.079 -5.087 -3.013 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.290 -6.645 -3.465 1.00 0.00 C ATOM 0 H THR A 60 -2.494 -5.634 -5.895 1.00 0.00 H new ATOM 0 HA THR A 60 -3.902 -3.558 -4.895 1.00 0.00 H new ATOM 0 HB THR A 60 -4.687 -5.876 -4.884 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.635 -5.847 -2.740 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.932 -7.472 -3.162 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.600 -6.986 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.724 -6.290 -2.604 1.00 0.00 H new ATOM 881 N MET A 61 -2.983 -2.561 -2.812 1.00 0.00 N ATOM 882 CA MET A 61 -2.391 -1.903 -1.653 1.00 0.00 C ATOM 883 C MET A 61 -3.423 -1.724 -0.544 1.00 0.00 C ATOM 884 O MET A 61 -3.455 -0.693 0.127 1.00 0.00 O ATOM 885 CB MET A 61 -1.812 -0.544 -2.051 1.00 0.00 C ATOM 886 CG MET A 61 -0.565 -0.644 -2.914 1.00 0.00 C ATOM 887 SD MET A 61 0.444 0.849 -2.852 1.00 0.00 S ATOM 888 CE MET A 61 -0.755 2.089 -3.331 1.00 0.00 C ATOM 0 H MET A 61 -3.733 -2.033 -3.259 1.00 0.00 H new ATOM 0 HA MET A 61 -1.587 -2.536 -1.278 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.572 0.022 -2.590 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.575 0.019 -1.148 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.032 -1.495 -2.586 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.857 -0.838 -3.946 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.315 2.752 -4.076 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.634 1.601 -3.753 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.047 2.670 -2.456 1.00 0.00 H new ATOM 898 N ALA A 62 -4.265 -2.735 -0.357 1.00 0.00 N ATOM 899 CA ALA A 62 -5.297 -2.690 0.672 1.00 0.00 C ATOM 900 C ALA A 62 -4.777 -3.240 1.996 1.00 0.00 C ATOM 901 O ALA A 62 -4.785 -2.548 3.013 1.00 0.00 O ATOM 902 CB ALA A 62 -6.526 -3.465 0.222 1.00 0.00 C ATOM 0 H ALA A 62 -4.253 -3.595 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.576 -1.648 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.288 -3.423 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.919 -3.024 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.253 -4.504 0.037 1.00 0.00 H new ATOM 908 N TYR A 63 -4.326 -4.490 1.975 1.00 0.00 N ATOM 909 CA TYR A 63 -3.806 -5.135 3.174 1.00 0.00 C ATOM 910 C TYR A 63 -2.435 -4.575 3.542 1.00 0.00 C ATOM 911 O TYR A 63 -2.165 -4.279 4.706 1.00 0.00 O ATOM 912 CB TYR A 63 -3.712 -6.647 2.966 1.00 0.00 C ATOM 913 CG TYR A 63 -4.915 -7.237 2.265 1.00 0.00 C ATOM 914 CD1 TYR A 63 -6.066 -7.562 2.973 1.00 0.00 C ATOM 915 CD2 TYR A 63 -4.900 -7.471 0.896 1.00 0.00 C ATOM 916 CE1 TYR A 63 -7.167 -8.101 2.336 1.00 0.00 C ATOM 917 CE2 TYR A 63 -5.997 -8.009 0.251 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.128 -8.323 0.976 1.00 0.00 C ATOM 919 OH TYR A 63 -8.222 -8.860 0.337 1.00 0.00 O ATOM 0 H TYR A 63 -4.310 -5.076 1.140 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.495 -4.930 3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.817 -6.871 2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.592 -7.132 3.935 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.100 -7.390 4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.016 -7.228 0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.054 -8.347 2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.969 -8.183 -0.815 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.030 -8.951 -0.620 1.00 0.00 H new ATOM 929 N ILE A 64 -1.573 -4.433 2.541 1.00 0.00 N ATOM 930 CA ILE A 64 -0.231 -3.908 2.757 1.00 0.00 C ATOM 931 C ILE A 64 -0.254 -2.392 2.924 1.00 0.00 C ATOM 932 O ILE A 64 -1.298 -1.758 2.782 1.00 0.00 O ATOM 933 CB ILE A 64 0.710 -4.271 1.593 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.142 -3.755 0.269 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.924 -5.776 1.534 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.087 -3.921 -0.900 1.00 0.00 C ATOM 0 H ILE A 64 -1.780 -4.674 1.572 1.00 0.00 H new ATOM 0 HA ILE A 64 0.144 -4.366 3.672 1.00 0.00 H new ATOM 0 HB ILE A 64 1.675 -3.793 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.787 -4.282 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.107 -2.699 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.591 -6.016 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.368 -6.117 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.034 -6.274 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.618 -3.534 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.008 -3.371 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.317 -4.978 -1.035 1.00 0.00 H new ATOM 948 N GLY A 65 0.907 -1.818 3.226 1.00 0.00 N ATOM 949 CA GLY A 65 0.999 -0.381 3.405 1.00 0.00 C ATOM 950 C GLY A 65 1.374 0.341 2.126 1.00 0.00 C ATOM 951 O GLY A 65 1.342 -0.243 1.043 1.00 0.00 O ATOM 0 H GLY A 65 1.785 -2.323 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.043 -0.001 3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.740 -0.161 4.173 1.00 0.00 H new ATOM 955 N PHE A 66 1.730 1.615 2.250 1.00 0.00 N ATOM 956 CA PHE A 66 2.110 2.418 1.094 1.00 0.00 C ATOM 957 C PHE A 66 2.701 3.756 1.532 1.00 0.00 C ATOM 958 O PHE A 66 2.346 4.290 2.583 1.00 0.00 O ATOM 959 CB PHE A 66 0.899 2.654 0.189 1.00 0.00 C ATOM 960 CG PHE A 66 -0.286 3.228 0.912 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.249 4.518 1.417 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.438 2.477 1.086 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.338 5.047 2.083 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.530 3.002 1.751 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.480 4.289 2.249 1.00 0.00 C ATOM 0 H PHE A 66 1.763 2.114 3.139 1.00 0.00 H new ATOM 0 HA PHE A 66 2.870 1.870 0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.184 3.329 -0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.611 1.710 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.641 5.116 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.483 1.470 0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.296 6.053 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.421 2.406 1.881 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.333 4.702 2.767 1.00 0.00 H new ATOM 975 N VAL A 67 3.605 4.291 0.718 1.00 0.00 N ATOM 976 CA VAL A 67 4.245 5.566 1.019 1.00 0.00 C ATOM 977 C VAL A 67 3.929 6.606 -0.049 1.00 0.00 C ATOM 978 O VAL A 67 4.102 6.357 -1.242 1.00 0.00 O ATOM 979 CB VAL A 67 5.774 5.413 1.135 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.430 6.766 1.362 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.129 4.445 2.253 1.00 0.00 C ATOM 0 H VAL A 67 3.911 3.861 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 67 3.847 5.901 1.977 1.00 0.00 H new ATOM 0 HB VAL A 67 6.153 5.005 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.510 6.638 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.203 7.425 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.048 7.206 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.213 4.349 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.738 4.822 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.691 3.469 2.042 1.00 0.00 H new ATOM 991 N GLU A 68 3.466 7.773 0.387 1.00 0.00 N ATOM 992 CA GLU A 68 3.125 8.851 -0.533 1.00 0.00 C ATOM 993 C GLU A 68 4.339 9.732 -0.813 1.00 0.00 C ATOM 994 O GLU A 68 4.789 10.479 0.055 1.00 0.00 O ATOM 995 CB GLU A 68 1.987 9.700 0.038 1.00 0.00 C ATOM 996 CG GLU A 68 1.775 11.011 -0.699 1.00 0.00 C ATOM 997 CD GLU A 68 0.714 11.880 -0.052 1.00 0.00 C ATOM 998 OE1 GLU A 68 1.054 12.628 0.888 1.00 0.00 O ATOM 999 OE2 GLU A 68 -0.455 11.812 -0.485 1.00 0.00 O ATOM 0 H GLU A 68 3.319 7.996 1.371 1.00 0.00 H new ATOM 0 HA GLU A 68 2.798 8.402 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.063 9.122 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.195 9.912 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.716 11.560 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.489 10.802 -1.730 1.00 0.00 H new ATOM 1006 N GLU A 69 4.864 9.637 -2.031 1.00 0.00 N ATOM 1007 CA GLU A 69 6.027 10.424 -2.424 1.00 0.00 C ATOM 1008 C GLU A 69 5.892 10.911 -3.864 1.00 0.00 C ATOM 1009 O GLU A 69 5.744 10.115 -4.791 1.00 0.00 O ATOM 1010 CB GLU A 69 7.306 9.596 -2.272 1.00 0.00 C ATOM 1011 CG GLU A 69 8.577 10.427 -2.315 1.00 0.00 C ATOM 1012 CD GLU A 69 8.789 11.234 -1.049 1.00 0.00 C ATOM 1013 OE1 GLU A 69 7.788 11.550 -0.373 1.00 0.00 O ATOM 1014 OE2 GLU A 69 9.956 11.551 -0.735 1.00 0.00 O ATOM 0 H GLU A 69 4.503 9.024 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 69 6.085 11.293 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.268 9.054 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.342 8.850 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.432 9.769 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.536 11.102 -3.170 1.00 0.00 H new ATOM 1021 N LYS A 70 5.944 12.227 -4.044 1.00 0.00 N ATOM 1022 CA LYS A 70 5.829 12.824 -5.369 1.00 0.00 C ATOM 1023 C LYS A 70 4.567 12.339 -6.076 1.00 0.00 C ATOM 1024 O LYS A 70 4.603 11.972 -7.249 1.00 0.00 O ATOM 1025 CB LYS A 70 7.060 12.485 -6.212 1.00 0.00 C ATOM 1026 CG LYS A 70 8.350 13.075 -5.669 1.00 0.00 C ATOM 1027 CD LYS A 70 8.617 14.456 -6.243 1.00 0.00 C ATOM 1028 CE LYS A 70 8.017 15.548 -5.369 1.00 0.00 C ATOM 1029 NZ LYS A 70 8.568 16.890 -5.702 1.00 0.00 N ATOM 0 H LYS A 70 6.065 12.901 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 70 5.765 13.905 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.162 11.401 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.905 12.846 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.294 13.136 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.183 12.413 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.692 14.611 -6.335 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.198 14.521 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.934 15.559 -5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.215 15.324 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.134 17.606 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.598 16.888 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.357 17.115 -6.695 1.00 0.00 H new ATOM 1043 N GLY A 71 3.451 12.342 -5.353 1.00 0.00 N ATOM 1044 CA GLY A 71 2.193 11.902 -5.928 1.00 0.00 C ATOM 1045 C GLY A 71 2.235 10.455 -6.376 1.00 0.00 C ATOM 1046 O GLY A 71 1.800 10.126 -7.479 1.00 0.00 O ATOM 0 H GLY A 71 3.396 12.641 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.397 12.029 -5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.945 12.536 -6.779 1.00 0.00 H new ATOM 1050 N ALA A 72 2.763 9.587 -5.519 1.00 0.00 N ATOM 1051 CA ALA A 72 2.861 8.167 -5.833 1.00 0.00 C ATOM 1052 C ALA A 72 2.869 7.323 -4.562 1.00 0.00 C ATOM 1053 O ALA A 72 3.579 7.633 -3.604 1.00 0.00 O ATOM 1054 CB ALA A 72 4.109 7.893 -6.658 1.00 0.00 C ATOM 0 H ALA A 72 3.129 9.843 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 72 1.984 7.889 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.169 6.829 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.062 8.460 -7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.992 8.194 -6.094 1.00 0.00 H new ATOM 1060 N LEU A 73 2.075 6.258 -4.560 1.00 0.00 N ATOM 1061 CA LEU A 73 1.991 5.370 -3.406 1.00 0.00 C ATOM 1062 C LEU A 73 2.827 4.113 -3.623 1.00 0.00 C ATOM 1063 O LEU A 73 2.529 3.300 -4.498 1.00 0.00 O ATOM 1064 CB LEU A 73 0.534 4.986 -3.138 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.358 6.092 -2.572 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.787 5.596 -2.413 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.188 6.587 -1.240 1.00 0.00 C ATOM 0 H LEU A 73 1.481 5.989 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 73 2.386 5.902 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.094 4.634 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.522 4.146 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.361 6.926 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.407 6.396 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.176 5.290 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.803 4.745 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.459 7.374 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.220 5.760 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.194 6.982 -1.383 1.00 0.00 H new ATOM 1079 N TYR A 74 3.875 3.960 -2.821 1.00 0.00 N ATOM 1080 CA TYR A 74 4.755 2.802 -2.926 1.00 0.00 C ATOM 1081 C TYR A 74 4.622 1.904 -1.700 1.00 0.00 C ATOM 1082 O TYR A 74 4.834 2.342 -0.568 1.00 0.00 O ATOM 1083 CB TYR A 74 6.208 3.253 -3.087 1.00 0.00 C ATOM 1084 CG TYR A 74 6.434 4.155 -4.279 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.496 3.635 -5.566 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.586 5.527 -4.119 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.703 4.455 -6.658 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.791 6.354 -5.205 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.849 5.814 -6.473 1.00 0.00 C ATOM 1090 OH TYR A 74 7.055 6.635 -7.558 1.00 0.00 O ATOM 0 H TYR A 74 4.136 4.623 -2.091 1.00 0.00 H new ATOM 0 HA TYR A 74 4.459 2.231 -3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.520 3.775 -2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.844 2.373 -3.182 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.380 2.572 -5.715 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.543 5.954 -3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.750 4.034 -7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.905 7.418 -5.063 1.00 0.00 H new ATOM 0 HH TYR A 74 7.136 7.563 -7.255 1.00 0.00 H new ATOM 1100 N CYS A 75 4.271 0.644 -1.933 1.00 0.00 N ATOM 1101 CA CYS A 75 4.109 -0.318 -0.850 1.00 0.00 C ATOM 1102 C CYS A 75 5.421 -0.514 -0.096 1.00 0.00 C ATOM 1103 O CYS A 75 6.502 -0.343 -0.658 1.00 0.00 O ATOM 1104 CB CYS A 75 3.619 -1.659 -1.400 1.00 0.00 C ATOM 1105 SG CYS A 75 4.780 -2.459 -2.553 1.00 0.00 S ATOM 0 H CYS A 75 4.093 0.265 -2.863 1.00 0.00 H new ATOM 0 HA CYS A 75 3.366 0.076 -0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.429 -2.334 -0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.667 -1.505 -1.908 1.00 0.00 H new ATOM 1110 N GLU A 76 5.317 -0.874 1.180 1.00 0.00 N ATOM 1111 CA GLU A 76 6.495 -1.093 2.010 1.00 0.00 C ATOM 1112 C GLU A 76 7.550 -1.898 1.256 1.00 0.00 C ATOM 1113 O GLU A 76 8.749 -1.644 1.382 1.00 0.00 O ATOM 1114 CB GLU A 76 6.110 -1.818 3.301 1.00 0.00 C ATOM 1115 CG GLU A 76 5.468 -3.176 3.067 1.00 0.00 C ATOM 1116 CD GLU A 76 5.252 -3.948 4.354 1.00 0.00 C ATOM 1117 OE1 GLU A 76 6.001 -3.706 5.324 1.00 0.00 O ATOM 1118 OE2 GLU A 76 4.334 -4.794 4.392 1.00 0.00 O ATOM 0 H GLU A 76 4.429 -1.020 1.661 1.00 0.00 H new ATOM 0 HA GLU A 76 6.917 -0.120 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.001 -1.948 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.421 -1.192 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.510 -3.039 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.099 -3.761 2.398 1.00 0.00 H new ATOM 1125 N LEU A 77 7.095 -2.871 0.474 1.00 0.00 N ATOM 1126 CA LEU A 77 7.999 -3.715 -0.300 1.00 0.00 C ATOM 1127 C LEU A 77 8.846 -2.877 -1.252 1.00 0.00 C ATOM 1128 O LEU A 77 10.076 -2.930 -1.216 1.00 0.00 O ATOM 1129 CB LEU A 77 7.204 -4.757 -1.090 1.00 0.00 C ATOM 1130 CG LEU A 77 6.519 -5.846 -0.264 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.493 -6.589 -1.106 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.549 -6.814 0.301 1.00 0.00 C ATOM 0 H LEU A 77 6.107 -3.095 0.359 1.00 0.00 H new ATOM 0 HA LEU A 77 8.665 -4.225 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.443 -4.239 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.878 -5.237 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 77 6.000 -5.371 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.016 -7.360 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.738 -5.888 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.989 -7.052 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.044 -7.582 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.096 -7.282 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.246 -6.272 0.940 1.00 0.00 H new ATOM 1144 N CYS A 78 8.181 -2.101 -2.101 1.00 0.00 N ATOM 1145 CA CYS A 78 8.871 -1.249 -3.061 1.00 0.00 C ATOM 1146 C CYS A 78 9.805 -0.274 -2.351 1.00 0.00 C ATOM 1147 O CYS A 78 11.011 -0.262 -2.596 1.00 0.00 O ATOM 1148 CB CYS A 78 7.859 -0.477 -3.910 1.00 0.00 C ATOM 1149 SG CYS A 78 7.006 -1.493 -5.158 1.00 0.00 S ATOM 0 H CYS A 78 7.163 -2.045 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 78 9.468 -1.888 -3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.115 -0.029 -3.251 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.373 0.342 -4.413 1.00 0.00 H new ATOM 1154 N TYR A 79 9.238 0.543 -1.469 1.00 0.00 N ATOM 1155 CA TYR A 79 10.019 1.523 -0.724 1.00 0.00 C ATOM 1156 C TYR A 79 11.198 0.859 -0.019 1.00 0.00 C ATOM 1157 O TYR A 79 12.353 1.208 -0.259 1.00 0.00 O ATOM 1158 CB TYR A 79 9.135 2.238 0.300 1.00 0.00 C ATOM 1159 CG TYR A 79 9.883 3.239 1.151 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.779 2.821 2.126 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.693 4.605 0.978 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.463 3.732 2.906 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.374 5.524 1.753 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.258 5.083 2.716 1.00 0.00 C ATOM 1165 OH TYR A 79 11.939 5.994 3.490 1.00 0.00 O ATOM 0 H TYR A 79 8.241 0.546 -1.253 1.00 0.00 H new ATOM 0 HA TYR A 79 10.408 2.254 -1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.328 2.750 -0.224 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.672 1.495 0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.944 1.764 2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.002 4.954 0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.155 3.389 3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.215 6.582 1.606 1.00 0.00 H new ATOM 0 HH TYR A 79 11.681 6.903 3.229 1.00 0.00 H new ATOM 1175 N GLU A 80 10.896 -0.100 0.850 1.00 0.00 N ATOM 1176 CA GLU A 80 11.930 -0.813 1.590 1.00 0.00 C ATOM 1177 C GLU A 80 13.003 -1.348 0.646 1.00 0.00 C ATOM 1178 O GLU A 80 14.111 -1.678 1.070 1.00 0.00 O ATOM 1179 CB GLU A 80 11.316 -1.965 2.387 1.00 0.00 C ATOM 1180 CG GLU A 80 12.345 -2.841 3.082 1.00 0.00 C ATOM 1181 CD GLU A 80 13.215 -2.064 4.051 1.00 0.00 C ATOM 1182 OE1 GLU A 80 12.667 -1.225 4.797 1.00 0.00 O ATOM 1183 OE2 GLU A 80 14.442 -2.293 4.062 1.00 0.00 O ATOM 0 H GLU A 80 9.944 -0.401 1.059 1.00 0.00 H new ATOM 0 HA GLU A 80 12.396 -0.111 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.635 -1.557 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.719 -2.583 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.833 -3.639 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.978 -3.316 2.332 1.00 0.00 H new ATOM 1190 N LYS A 81 12.666 -1.432 -0.636 1.00 0.00 N ATOM 1191 CA LYS A 81 13.598 -1.927 -1.643 1.00 0.00 C ATOM 1192 C LYS A 81 14.401 -0.781 -2.250 1.00 0.00 C ATOM 1193 O LYS A 81 15.623 -0.723 -2.109 1.00 0.00 O ATOM 1194 CB LYS A 81 12.843 -2.674 -2.744 1.00 0.00 C ATOM 1195 CG LYS A 81 12.733 -4.169 -2.499 1.00 0.00 C ATOM 1196 CD LYS A 81 12.094 -4.882 -3.679 1.00 0.00 C ATOM 1197 CE LYS A 81 12.272 -6.389 -3.582 1.00 0.00 C ATOM 1198 NZ LYS A 81 13.638 -6.815 -3.993 1.00 0.00 N ATOM 0 H LYS A 81 11.753 -1.163 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 81 14.289 -2.614 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.841 -2.254 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.346 -2.506 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.725 -4.583 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.142 -4.349 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.032 -4.642 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.537 -4.521 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.084 -6.711 -2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.533 -6.883 -4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.718 -7.849 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.809 -6.530 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.343 -6.364 -3.375 1.00 0.00 H new ATOM 1212 N PHE A 82 13.707 0.130 -2.924 1.00 0.00 N ATOM 1213 CA PHE A 82 14.356 1.274 -3.553 1.00 0.00 C ATOM 1214 C PHE A 82 14.934 2.217 -2.501 1.00 0.00 C ATOM 1215 O PHE A 82 16.142 2.451 -2.457 1.00 0.00 O ATOM 1216 CB PHE A 82 13.362 2.028 -4.439 1.00 0.00 C ATOM 1217 CG PHE A 82 12.903 1.238 -5.631 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.632 1.250 -6.809 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.742 0.484 -5.573 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.211 0.524 -7.907 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.316 -0.244 -6.668 1.00 0.00 C ATOM 1222 CZ PHE A 82 12.052 -0.224 -7.836 1.00 0.00 C ATOM 0 H PHE A 82 12.695 0.098 -3.049 1.00 0.00 H new ATOM 0 HA PHE A 82 15.173 0.902 -4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.494 2.307 -3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.823 2.954 -4.782 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.539 1.833 -6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.163 0.465 -4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.788 0.542 -8.820 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.409 -0.827 -6.610 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.722 -0.792 -8.693 1.00 0.00 H new ATOM 1232 N PHE A 83 14.062 2.755 -1.655 1.00 0.00 N ATOM 1233 CA PHE A 83 14.483 3.674 -0.604 1.00 0.00 C ATOM 1234 C PHE A 83 15.514 3.018 0.311 1.00 0.00 C ATOM 1235 O PHE A 83 16.702 3.335 0.253 1.00 0.00 O ATOM 1236 CB PHE A 83 13.276 4.133 0.216 1.00 0.00 C ATOM 1237 CG PHE A 83 12.551 5.302 -0.386 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.727 5.131 -1.487 1.00 0.00 C ATOM 1239 CD2 PHE A 83 12.695 6.573 0.147 1.00 0.00 C ATOM 1240 CE1 PHE A 83 11.058 6.205 -2.044 1.00 0.00 C ATOM 1241 CE2 PHE A 83 12.029 7.651 -0.405 1.00 0.00 C ATOM 1242 CZ PHE A 83 11.210 7.467 -1.503 1.00 0.00 C ATOM 0 H PHE A 83 13.059 2.570 -1.677 1.00 0.00 H new ATOM 0 HA PHE A 83 14.942 4.542 -1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.581 3.300 0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.609 4.400 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.606 4.147 -1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.335 6.723 1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.417 6.058 -2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.148 8.636 0.021 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.690 8.308 -1.937 1.00 0.00 H new ATOM 1252 N ALA A 84 15.050 2.102 1.154 1.00 0.00 N ATOM 1253 CA ALA A 84 15.930 1.400 2.080 1.00 0.00 C ATOM 1254 C ALA A 84 16.819 0.404 1.343 1.00 0.00 C ATOM 1255 O ALA A 84 16.555 -0.798 1.344 1.00 0.00 O ATOM 1256 CB ALA A 84 15.113 0.690 3.149 1.00 0.00 C ATOM 0 H ALA A 84 14.069 1.828 1.215 1.00 0.00 H new ATOM 0 HA ALA A 84 16.574 2.137 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.783 0.170 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.525 1.421 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.445 -0.031 2.678 1.00 0.00 H new ATOM 1262 N SER A 85 17.875 0.912 0.715 1.00 0.00 N ATOM 1263 CA SER A 85 18.801 0.068 -0.030 1.00 0.00 C ATOM 1264 C SER A 85 19.733 -0.683 0.917 1.00 0.00 C ATOM 1265 O SER A 85 20.447 -0.076 1.714 1.00 0.00 O ATOM 1266 CB SER A 85 19.621 0.912 -1.008 1.00 0.00 C ATOM 1267 OG SER A 85 18.779 1.712 -1.820 1.00 0.00 O ATOM 0 H SER A 85 18.110 1.904 0.708 1.00 0.00 H new ATOM 0 HA SER A 85 18.217 -0.661 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 85 20.310 1.549 -0.454 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.226 0.260 -1.638 1.00 0.00 H new ATOM 0 HG SER A 85 17.846 1.443 -1.688 1.00 0.00 H new ATOM 1273 N GLY A 86 19.720 -2.009 0.823 1.00 0.00 N ATOM 1274 CA GLY A 86 20.567 -2.822 1.676 1.00 0.00 C ATOM 1275 C GLY A 86 22.022 -2.783 1.254 1.00 0.00 C ATOM 1276 O GLY A 86 22.696 -1.758 1.366 1.00 0.00 O ATOM 0 H GLY A 86 19.138 -2.535 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.481 -2.475 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 86 20.214 -3.853 1.657 1.00 0.00 H new ATOM 1280 N PRO A 87 22.529 -3.920 0.757 1.00 0.00 N ATOM 1281 CA PRO A 87 23.920 -4.038 0.308 1.00 0.00 C ATOM 1282 C PRO A 87 24.186 -3.247 -0.968 1.00 0.00 C ATOM 1283 O PRO A 87 25.285 -3.293 -1.521 1.00 0.00 O ATOM 1284 CB PRO A 87 24.084 -5.538 0.051 1.00 0.00 C ATOM 1285 CG PRO A 87 22.707 -6.026 -0.239 1.00 0.00 C ATOM 1286 CD PRO A 87 21.784 -5.180 0.594 1.00 0.00 C ATOM 0 HA PRO A 87 24.620 -3.638 1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.755 -5.725 -0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 87 24.509 -6.044 0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 87 22.474 -5.930 -1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 87 22.605 -7.081 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 87 20.827 -5.020 0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 87 21.569 -5.647 1.555 1.00 0.00 H new ATOM 1294 N SER A 88 23.173 -2.520 -1.431 1.00 0.00 N ATOM 1295 CA SER A 88 23.298 -1.721 -2.644 1.00 0.00 C ATOM 1296 C SER A 88 24.395 -0.672 -2.493 1.00 0.00 C ATOM 1297 O SER A 88 24.346 0.169 -1.596 1.00 0.00 O ATOM 1298 CB SER A 88 21.967 -1.041 -2.970 1.00 0.00 C ATOM 1299 OG SER A 88 21.786 -0.918 -4.370 1.00 0.00 O ATOM 0 H SER A 88 22.257 -2.468 -0.984 1.00 0.00 H new ATOM 0 HA SER A 88 23.568 -2.388 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 88 21.146 -1.618 -2.543 1.00 0.00 H new ATOM 0 HB3 SER A 88 21.937 -0.054 -2.508 1.00 0.00 H new ATOM 0 HG SER A 88 20.927 -0.482 -4.552 1.00 0.00 H new ATOM 1305 N SER A 89 25.384 -0.728 -3.380 1.00 0.00 N ATOM 1306 CA SER A 89 26.496 0.215 -3.344 1.00 0.00 C ATOM 1307 C SER A 89 26.583 1.002 -4.648 1.00 0.00 C ATOM 1308 O SER A 89 27.213 0.564 -5.610 1.00 0.00 O ATOM 1309 CB SER A 89 27.812 -0.525 -3.094 1.00 0.00 C ATOM 1310 OG SER A 89 27.780 -1.216 -1.857 1.00 0.00 O ATOM 0 H SER A 89 25.438 -1.416 -4.131 1.00 0.00 H new ATOM 0 HA SER A 89 26.320 0.915 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 89 27.996 -1.231 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.639 0.185 -3.096 1.00 0.00 H new ATOM 0 HG SER A 89 27.062 -1.883 -1.873 1.00 0.00 H new ATOM 1316 N GLY A 90 25.945 2.168 -4.672 1.00 0.00 N ATOM 1317 CA GLY A 90 25.961 2.999 -5.862 1.00 0.00 C ATOM 1318 C GLY A 90 24.662 2.925 -6.639 1.00 0.00 C ATOM 1319 O GLY A 90 24.558 2.111 -7.555 1.00 0.00 O ATOM 0 H GLY A 90 25.417 2.552 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 90 26.151 4.034 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 90 26.784 2.690 -6.506 1.00 0.00 H new TER 1323 GLY A 90 HETATM 1324 ZN ZN A 201 -12.742 4.127 -8.001 1.00 0.00 ZN HETATM 1325 ZN ZN A 401 4.680 -1.705 -4.750 1.00 0.00 ZN