USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 423 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 Set 1.1: A 71 ASN : amide:sc= -2.48! C(o=-3.2!,f=-7.8!) USER MOD Set 1.2: A 74 CYS SG : rot 104:sc= 0.451 USER MOD Set 1.3: A 86 ASN : amide:sc= -1.18 K(o=-3.2,f=-2.2) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0512 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -150:sc= -1.51 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= -0.0943 (180deg=-0.52) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0623 K(o=-0.062,f=-0.81) USER MOD Single : A 92 ASN : amide:sc= -2.68 K(o=-2.7,f=-6.5!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.251 K(o=0.25,f=-8!) USER MOD Single : A 106 GLN : amide:sc= -0.6 K(o=-0.6,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 14.152 -4.798 -18.858 1.00 0.00 N ATOM 2 CA GLY A 50 13.606 -3.623 -19.513 1.00 0.00 C ATOM 3 C GLY A 50 13.305 -2.503 -18.537 1.00 0.00 C ATOM 4 O GLY A 50 14.049 -1.526 -18.455 1.00 0.00 O ATOM 0 HA2 GLY A 50 14.313 -3.267 -20.263 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.692 -3.896 -20.041 1.00 0.00 H new ATOM 8 N SER A 51 12.210 -2.644 -17.796 1.00 0.00 N ATOM 9 CA SER A 51 11.809 -1.633 -16.825 1.00 0.00 C ATOM 10 C SER A 51 12.818 -1.546 -15.684 1.00 0.00 C ATOM 11 O SER A 51 13.641 -2.442 -15.498 1.00 0.00 O ATOM 12 CB SER A 51 10.420 -1.952 -16.269 1.00 0.00 C ATOM 13 OG SER A 51 10.475 -3.023 -15.343 1.00 0.00 O ATOM 0 H SER A 51 11.585 -3.448 -17.850 1.00 0.00 H new ATOM 0 HA SER A 51 11.777 -0.669 -17.333 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.008 -1.068 -15.783 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.747 -2.209 -17.087 1.00 0.00 H new ATOM 0 HG SER A 51 9.575 -3.206 -15.001 1.00 0.00 H new ATOM 19 N SER A 52 12.749 -0.458 -14.924 1.00 0.00 N ATOM 20 CA SER A 52 13.658 -0.249 -13.803 1.00 0.00 C ATOM 21 C SER A 52 13.037 -0.744 -12.500 1.00 0.00 C ATOM 22 O SER A 52 11.993 -0.253 -12.072 1.00 0.00 O ATOM 23 CB SER A 52 14.019 1.232 -13.679 1.00 0.00 C ATOM 24 OG SER A 52 15.206 1.408 -12.925 1.00 0.00 O ATOM 0 H SER A 52 12.073 0.293 -15.064 1.00 0.00 H new ATOM 0 HA SER A 52 14.566 -0.821 -13.993 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.149 1.662 -14.672 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.199 1.770 -13.203 1.00 0.00 H new ATOM 0 HG SER A 52 15.415 2.363 -12.862 1.00 0.00 H new ATOM 30 N GLY A 53 13.688 -1.720 -11.874 1.00 0.00 N ATOM 31 CA GLY A 53 13.185 -2.265 -10.627 1.00 0.00 C ATOM 32 C GLY A 53 14.103 -3.321 -10.044 1.00 0.00 C ATOM 33 O GLY A 53 14.535 -4.234 -10.748 1.00 0.00 O ATOM 0 H GLY A 53 14.554 -2.142 -12.208 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.060 -1.458 -9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.199 -2.698 -10.795 1.00 0.00 H new ATOM 37 N SER A 54 14.404 -3.197 -8.755 1.00 0.00 N ATOM 38 CA SER A 54 15.281 -4.146 -8.080 1.00 0.00 C ATOM 39 C SER A 54 14.550 -4.841 -6.935 1.00 0.00 C ATOM 40 O SER A 54 14.615 -6.062 -6.794 1.00 0.00 O ATOM 41 CB SER A 54 16.525 -3.432 -7.547 1.00 0.00 C ATOM 42 OG SER A 54 16.176 -2.428 -6.610 1.00 0.00 O ATOM 0 H SER A 54 14.053 -2.448 -8.157 1.00 0.00 H new ATOM 0 HA SER A 54 15.586 -4.901 -8.805 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.190 -4.156 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.074 -2.985 -8.376 1.00 0.00 H new ATOM 0 HG SER A 54 16.989 -1.988 -6.284 1.00 0.00 H new ATOM 48 N SER A 55 13.856 -4.054 -6.120 1.00 0.00 N ATOM 49 CA SER A 55 13.116 -4.591 -4.984 1.00 0.00 C ATOM 50 C SER A 55 11.711 -4.000 -4.922 1.00 0.00 C ATOM 51 O SER A 55 11.463 -3.036 -4.198 1.00 0.00 O ATOM 52 CB SER A 55 13.862 -4.303 -3.680 1.00 0.00 C ATOM 53 OG SER A 55 14.935 -5.210 -3.494 1.00 0.00 O ATOM 0 H SER A 55 13.790 -3.042 -6.225 1.00 0.00 H new ATOM 0 HA SER A 55 13.031 -5.670 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.243 -3.282 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.172 -4.374 -2.839 1.00 0.00 H new ATOM 0 HG SER A 55 15.396 -5.003 -2.654 1.00 0.00 H new ATOM 59 N GLY A 56 10.794 -4.585 -5.686 1.00 0.00 N ATOM 60 CA GLY A 56 9.426 -4.103 -5.704 1.00 0.00 C ATOM 61 C GLY A 56 8.414 -5.229 -5.634 1.00 0.00 C ATOM 62 O GLY A 56 8.186 -5.930 -6.619 1.00 0.00 O ATOM 0 H GLY A 56 10.974 -5.385 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.271 -3.427 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.260 -3.525 -6.613 1.00 0.00 H new ATOM 66 N GLU A 57 7.806 -5.404 -4.465 1.00 0.00 N ATOM 67 CA GLU A 57 6.814 -6.455 -4.270 1.00 0.00 C ATOM 68 C GLU A 57 5.399 -5.887 -4.333 1.00 0.00 C ATOM 69 O GLU A 57 5.147 -4.740 -3.964 1.00 0.00 O ATOM 70 CB GLU A 57 7.036 -7.153 -2.926 1.00 0.00 C ATOM 71 CG GLU A 57 8.431 -7.734 -2.765 1.00 0.00 C ATOM 72 CD GLU A 57 8.505 -8.776 -1.666 1.00 0.00 C ATOM 73 OE1 GLU A 57 7.820 -9.813 -1.783 1.00 0.00 O ATOM 74 OE2 GLU A 57 9.249 -8.553 -0.688 1.00 0.00 O ATOM 0 H GLU A 57 7.983 -4.832 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 57 6.930 -7.183 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.853 -6.441 -2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.304 -7.953 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.745 -8.182 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.133 -6.929 -2.546 1.00 0.00 H new ATOM 81 N PRO A 58 4.453 -6.708 -4.812 1.00 0.00 N ATOM 82 CA PRO A 58 3.048 -6.310 -4.935 1.00 0.00 C ATOM 83 C PRO A 58 2.367 -6.158 -3.579 1.00 0.00 C ATOM 84 O PRO A 58 2.223 -7.127 -2.833 1.00 0.00 O ATOM 85 CB PRO A 58 2.420 -7.463 -5.722 1.00 0.00 C ATOM 86 CG PRO A 58 3.292 -8.637 -5.434 1.00 0.00 C ATOM 87 CD PRO A 58 4.682 -8.089 -5.270 1.00 0.00 C ATOM 0 HA PRO A 58 2.941 -5.338 -5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.393 -7.645 -5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.390 -7.244 -6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.967 -9.153 -4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.252 -9.362 -6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.257 -8.663 -4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.237 -8.114 -6.208 1.00 0.00 H new ATOM 95 N VAL A 59 1.951 -4.936 -3.264 1.00 0.00 N ATOM 96 CA VAL A 59 1.284 -4.657 -1.998 1.00 0.00 C ATOM 97 C VAL A 59 -0.228 -4.806 -2.129 1.00 0.00 C ATOM 98 O VAL A 59 -0.933 -3.846 -2.442 1.00 0.00 O ATOM 99 CB VAL A 59 1.607 -3.238 -1.494 1.00 0.00 C ATOM 100 CG1 VAL A 59 0.864 -2.950 -0.198 1.00 0.00 C ATOM 101 CG2 VAL A 59 3.107 -3.068 -1.307 1.00 0.00 C ATOM 0 H VAL A 59 2.064 -4.122 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 59 1.657 -5.384 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 59 1.274 -2.520 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.104 -1.943 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.210 -3.029 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.164 -3.672 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.317 -2.060 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.467 -3.793 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.613 -3.229 -2.259 1.00 0.00 H new ATOM 111 N LEU A 60 -0.721 -6.015 -1.886 1.00 0.00 N ATOM 112 CA LEU A 60 -2.150 -6.291 -1.975 1.00 0.00 C ATOM 113 C LEU A 60 -2.907 -5.623 -0.831 1.00 0.00 C ATOM 114 O LEU A 60 -2.338 -5.346 0.225 1.00 0.00 O ATOM 115 CB LEU A 60 -2.401 -7.800 -1.955 1.00 0.00 C ATOM 116 CG LEU A 60 -1.676 -8.615 -3.026 1.00 0.00 C ATOM 117 CD1 LEU A 60 -1.644 -10.087 -2.646 1.00 0.00 C ATOM 118 CD2 LEU A 60 -2.343 -8.427 -4.381 1.00 0.00 C ATOM 0 H LEU A 60 -0.152 -6.820 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.515 -5.881 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.111 -8.183 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.472 -7.971 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.649 -8.256 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.124 -10.651 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.121 -10.206 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.664 -10.460 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.814 -9.014 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.380 -8.759 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.314 -7.373 -4.658 1.00 0.00 H new ATOM 130 N CYS A 61 -4.193 -5.369 -1.048 1.00 0.00 N ATOM 131 CA CYS A 61 -5.029 -4.735 -0.036 1.00 0.00 C ATOM 132 C CYS A 61 -5.181 -5.636 1.186 1.00 0.00 C ATOM 133 O CYS A 61 -4.893 -6.832 1.128 1.00 0.00 O ATOM 134 CB CYS A 61 -6.406 -4.405 -0.615 1.00 0.00 C ATOM 135 SG CYS A 61 -7.409 -3.303 0.433 1.00 0.00 S ATOM 0 H CYS A 61 -4.679 -5.593 -1.916 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.542 -3.810 0.274 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.275 -3.940 -1.592 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.953 -5.334 -0.775 1.00 0.00 H new ATOM 140 N SER A 62 -5.637 -5.054 2.291 1.00 0.00 N ATOM 141 CA SER A 62 -5.825 -5.804 3.527 1.00 0.00 C ATOM 142 C SER A 62 -7.094 -6.648 3.464 1.00 0.00 C ATOM 143 O SER A 62 -7.073 -7.842 3.763 1.00 0.00 O ATOM 144 CB SER A 62 -5.893 -4.849 4.721 1.00 0.00 C ATOM 145 OG SER A 62 -5.861 -5.561 5.946 1.00 0.00 O ATOM 0 H SER A 62 -5.883 -4.066 2.355 1.00 0.00 H new ATOM 0 HA SER A 62 -4.972 -6.472 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.057 -4.151 4.680 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.806 -4.256 4.665 1.00 0.00 H new ATOM 0 HG SER A 62 -5.904 -4.928 6.693 1.00 0.00 H new ATOM 151 N ARG A 63 -8.197 -6.019 3.071 1.00 0.00 N ATOM 152 CA ARG A 63 -9.476 -6.711 2.969 1.00 0.00 C ATOM 153 C ARG A 63 -9.309 -8.063 2.282 1.00 0.00 C ATOM 154 O ARG A 63 -8.337 -8.290 1.560 1.00 0.00 O ATOM 155 CB ARG A 63 -10.482 -5.856 2.197 1.00 0.00 C ATOM 156 CG ARG A 63 -11.824 -6.537 1.985 1.00 0.00 C ATOM 157 CD ARG A 63 -12.908 -5.533 1.625 1.00 0.00 C ATOM 158 NE ARG A 63 -14.247 -6.097 1.771 1.00 0.00 N ATOM 159 CZ ARG A 63 -15.309 -5.649 1.111 1.00 0.00 C ATOM 160 NH1 ARG A 63 -15.189 -4.637 0.263 1.00 0.00 N ATOM 161 NH2 ARG A 63 -16.495 -6.215 1.297 1.00 0.00 N ATOM 0 H ARG A 63 -8.230 -5.031 2.818 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.851 -6.879 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.640 -4.921 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.058 -5.598 1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -11.735 -7.279 1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.109 -7.072 2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.814 -4.654 2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.766 -5.199 0.597 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.374 -6.878 2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.279 -4.200 0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.007 -4.295 -0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.592 -6.995 1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.310 -5.870 0.790 1.00 0.00 H new ATOM 175 N THR A 64 -10.263 -8.960 2.512 1.00 0.00 N ATOM 176 CA THR A 64 -10.221 -10.290 1.918 1.00 0.00 C ATOM 177 C THR A 64 -10.951 -10.318 0.580 1.00 0.00 C ATOM 178 O THR A 64 -10.472 -10.908 -0.389 1.00 0.00 O ATOM 179 CB THR A 64 -10.846 -11.343 2.852 1.00 0.00 C ATOM 180 OG1 THR A 64 -12.160 -10.932 3.244 1.00 0.00 O ATOM 181 CG2 THR A 64 -9.984 -11.549 4.088 1.00 0.00 C ATOM 0 H THR A 64 -11.074 -8.789 3.106 1.00 0.00 H new ATOM 0 HA THR A 64 -9.170 -10.532 1.761 1.00 0.00 H new ATOM 0 HB THR A 64 -10.908 -12.287 2.310 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.551 -11.608 3.836 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.445 -12.297 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.993 -11.890 3.788 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.895 -10.608 4.630 1.00 0.00 H new ATOM 189 N THR A 65 -12.114 -9.675 0.532 1.00 0.00 N ATOM 190 CA THR A 65 -12.911 -9.626 -0.688 1.00 0.00 C ATOM 191 C THR A 65 -12.416 -8.529 -1.624 1.00 0.00 C ATOM 192 O THR A 65 -13.042 -8.242 -2.645 1.00 0.00 O ATOM 193 CB THR A 65 -14.400 -9.387 -0.376 1.00 0.00 C ATOM 194 OG1 THR A 65 -14.532 -8.431 0.681 1.00 0.00 O ATOM 195 CG2 THR A 65 -15.085 -10.687 0.019 1.00 0.00 C ATOM 0 H THR A 65 -12.525 -9.181 1.324 1.00 0.00 H new ATOM 0 HA THR A 65 -12.801 -10.594 -1.177 1.00 0.00 H new ATOM 0 HB THR A 65 -14.880 -9.001 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.349 -8.616 1.189 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.136 -10.494 0.235 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.008 -11.402 -0.800 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.602 -11.098 0.906 1.00 0.00 H new ATOM 203 N CYS A 66 -11.290 -7.920 -1.270 1.00 0.00 N ATOM 204 CA CYS A 66 -10.711 -6.854 -2.079 1.00 0.00 C ATOM 205 C CYS A 66 -9.494 -7.356 -2.850 1.00 0.00 C ATOM 206 O CYS A 66 -9.508 -7.419 -4.080 1.00 0.00 O ATOM 207 CB CYS A 66 -10.314 -5.671 -1.193 1.00 0.00 C ATOM 208 SG CYS A 66 -10.016 -4.124 -2.107 1.00 0.00 S ATOM 0 H CYS A 66 -10.760 -8.146 -0.428 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.464 -6.526 -2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -11.101 -5.501 -0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -9.412 -5.932 -0.639 1.00 0.00 H new ATOM 213 N ARG A 67 -8.443 -7.714 -2.120 1.00 0.00 N ATOM 214 CA ARG A 67 -7.218 -8.210 -2.735 1.00 0.00 C ATOM 215 C ARG A 67 -6.835 -7.362 -3.944 1.00 0.00 C ATOM 216 O ARG A 67 -6.392 -7.885 -4.966 1.00 0.00 O ATOM 217 CB ARG A 67 -7.389 -9.671 -3.156 1.00 0.00 C ATOM 218 CG ARG A 67 -7.727 -10.601 -2.003 1.00 0.00 C ATOM 219 CD ARG A 67 -6.572 -10.712 -1.019 1.00 0.00 C ATOM 220 NE ARG A 67 -5.461 -11.486 -1.564 1.00 0.00 N ATOM 221 CZ ARG A 67 -5.391 -12.812 -1.508 1.00 0.00 C ATOM 222 NH1 ARG A 67 -6.364 -13.506 -0.934 1.00 0.00 N ATOM 223 NH2 ARG A 67 -4.347 -13.445 -2.027 1.00 0.00 N ATOM 0 H ARG A 67 -8.415 -7.670 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.418 -8.143 -1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.177 -9.734 -3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.469 -10.014 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.613 -10.233 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.972 -11.590 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.223 -9.714 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.923 -11.180 -0.099 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.696 -10.981 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.168 -13.022 -0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.308 -14.524 -0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.597 -12.914 -2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.294 -14.463 -1.983 1.00 0.00 H new ATOM 237 N ALA A 68 -7.008 -6.050 -3.820 1.00 0.00 N ATOM 238 CA ALA A 68 -6.680 -5.130 -4.901 1.00 0.00 C ATOM 239 C ALA A 68 -5.278 -4.557 -4.727 1.00 0.00 C ATOM 240 O ALA A 68 -5.031 -3.759 -3.823 1.00 0.00 O ATOM 241 CB ALA A 68 -7.706 -4.009 -4.971 1.00 0.00 C ATOM 0 H ALA A 68 -7.374 -5.601 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.703 -5.687 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.448 -3.330 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.695 -4.431 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.712 -3.462 -4.028 1.00 0.00 H new ATOM 247 N ALA A 69 -4.362 -4.969 -5.598 1.00 0.00 N ATOM 248 CA ALA A 69 -2.985 -4.495 -5.541 1.00 0.00 C ATOM 249 C ALA A 69 -2.929 -2.971 -5.543 1.00 0.00 C ATOM 250 O ALA A 69 -3.881 -2.305 -5.951 1.00 0.00 O ATOM 251 CB ALA A 69 -2.185 -5.056 -6.706 1.00 0.00 C ATOM 0 H ALA A 69 -4.549 -5.630 -6.352 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.544 -4.848 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.159 -4.694 -6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.188 -6.145 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.634 -4.732 -7.645 1.00 0.00 H new ATOM 257 N LEU A 70 -1.808 -2.424 -5.083 1.00 0.00 N ATOM 258 CA LEU A 70 -1.628 -0.978 -5.031 1.00 0.00 C ATOM 259 C LEU A 70 -1.785 -0.359 -6.417 1.00 0.00 C ATOM 260 O LEU A 70 -1.014 -0.652 -7.329 1.00 0.00 O ATOM 261 CB LEU A 70 -0.250 -0.636 -4.461 1.00 0.00 C ATOM 262 CG LEU A 70 -0.095 0.768 -3.876 1.00 0.00 C ATOM 263 CD1 LEU A 70 -0.836 0.879 -2.552 1.00 0.00 C ATOM 264 CD2 LEU A 70 1.376 1.112 -3.697 1.00 0.00 C ATOM 0 H LEU A 70 -1.011 -2.961 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.397 -0.564 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.011 -1.361 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.490 -0.762 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.532 1.482 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.715 1.885 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.895 0.677 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.430 0.155 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.467 2.115 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.838 0.394 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.879 1.074 -4.663 1.00 0.00 H new ATOM 276 N ASN A 71 -2.789 0.499 -6.565 1.00 0.00 N ATOM 277 CA ASN A 71 -3.047 1.160 -7.839 1.00 0.00 C ATOM 278 C ASN A 71 -2.999 2.677 -7.684 1.00 0.00 C ATOM 279 O ASN A 71 -3.179 3.221 -6.594 1.00 0.00 O ATOM 280 CB ASN A 71 -4.408 0.735 -8.392 1.00 0.00 C ATOM 281 CG ASN A 71 -5.433 0.512 -7.297 1.00 0.00 C ATOM 282 OD1 ASN A 71 -5.130 -0.080 -6.260 1.00 0.00 O ATOM 283 ND2 ASN A 71 -6.653 0.985 -7.522 1.00 0.00 N ATOM 0 H ASN A 71 -3.437 0.753 -5.819 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.268 0.859 -8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.773 1.500 -9.078 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.292 -0.182 -8.970 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.384 0.864 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.859 1.469 -8.396 1.00 0.00 H new ATOM 290 N PRO A 72 -2.751 3.379 -8.800 1.00 0.00 N ATOM 291 CA PRO A 72 -2.676 4.843 -8.815 1.00 0.00 C ATOM 292 C PRO A 72 -4.035 5.496 -8.588 1.00 0.00 C ATOM 293 O PRO A 72 -4.160 6.721 -8.625 1.00 0.00 O ATOM 294 CB PRO A 72 -2.158 5.157 -10.221 1.00 0.00 C ATOM 295 CG PRO A 72 -2.576 3.991 -11.048 1.00 0.00 C ATOM 296 CD PRO A 72 -2.527 2.797 -10.134 1.00 0.00 C ATOM 0 HA PRO A 72 -2.041 5.227 -8.017 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.584 6.085 -10.602 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.075 5.278 -10.226 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.580 4.136 -11.448 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.910 3.858 -11.900 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.294 2.065 -10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.567 2.285 -10.193 1.00 0.00 H new ATOM 304 N LEU A 73 -5.050 4.672 -8.355 1.00 0.00 N ATOM 305 CA LEU A 73 -6.401 5.170 -8.122 1.00 0.00 C ATOM 306 C LEU A 73 -6.652 5.390 -6.633 1.00 0.00 C ATOM 307 O LEU A 73 -7.231 6.401 -6.234 1.00 0.00 O ATOM 308 CB LEU A 73 -7.432 4.189 -8.684 1.00 0.00 C ATOM 309 CG LEU A 73 -7.323 3.885 -10.179 1.00 0.00 C ATOM 310 CD1 LEU A 73 -8.272 2.761 -10.566 1.00 0.00 C ATOM 311 CD2 LEU A 73 -7.611 5.134 -10.999 1.00 0.00 C ATOM 0 H LEU A 73 -4.963 3.656 -8.322 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.501 6.127 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.348 3.251 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.428 4.586 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.304 3.562 -10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.180 2.559 -11.633 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.020 1.862 -10.003 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.297 3.056 -10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.529 4.899 -12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.619 5.487 -10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.891 5.912 -10.743 1.00 0.00 H new ATOM 323 N CYS A 74 -6.210 4.439 -5.818 1.00 0.00 N ATOM 324 CA CYS A 74 -6.385 4.529 -4.372 1.00 0.00 C ATOM 325 C CYS A 74 -5.903 5.879 -3.850 1.00 0.00 C ATOM 326 O CYS A 74 -5.135 6.574 -4.515 1.00 0.00 O ATOM 327 CB CYS A 74 -5.627 3.399 -3.674 1.00 0.00 C ATOM 328 SG CYS A 74 -6.328 1.756 -3.958 1.00 0.00 S ATOM 0 H CYS A 74 -5.728 3.597 -6.133 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.448 4.433 -4.153 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.592 3.405 -4.015 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -5.610 3.595 -2.602 1.00 0.00 H new ATOM 0 HG CYS A 74 -5.595 1.114 -4.818 1.00 0.00 H new ATOM 334 N GLN A 75 -6.360 6.243 -2.656 1.00 0.00 N ATOM 335 CA GLN A 75 -5.976 7.510 -2.046 1.00 0.00 C ATOM 336 C GLN A 75 -4.782 7.328 -1.115 1.00 0.00 C ATOM 337 O GLN A 75 -4.910 6.768 -0.026 1.00 0.00 O ATOM 338 CB GLN A 75 -7.155 8.105 -1.272 1.00 0.00 C ATOM 339 CG GLN A 75 -8.219 8.722 -2.164 1.00 0.00 C ATOM 340 CD GLN A 75 -9.337 9.373 -1.374 1.00 0.00 C ATOM 341 OE1 GLN A 75 -9.946 8.747 -0.507 1.00 0.00 O ATOM 342 NE2 GLN A 75 -9.613 10.638 -1.670 1.00 0.00 N ATOM 0 H GLN A 75 -6.996 5.679 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 75 -5.689 8.196 -2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.611 7.324 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.782 8.866 -0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.757 9.466 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.638 7.951 -2.811 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.083 11.119 -2.396 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.355 11.128 -1.171 1.00 0.00 H new ATOM 351 N VAL A 76 -3.620 7.803 -1.552 1.00 0.00 N ATOM 352 CA VAL A 76 -2.402 7.692 -0.758 1.00 0.00 C ATOM 353 C VAL A 76 -2.265 8.867 0.204 1.00 0.00 C ATOM 354 O VAL A 76 -2.270 10.026 -0.211 1.00 0.00 O ATOM 355 CB VAL A 76 -1.151 7.629 -1.654 1.00 0.00 C ATOM 356 CG1 VAL A 76 0.109 7.537 -0.808 1.00 0.00 C ATOM 357 CG2 VAL A 76 -1.244 6.453 -2.615 1.00 0.00 C ATOM 0 H VAL A 76 -3.496 8.268 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.479 6.766 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.099 8.546 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.982 7.493 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.180 8.414 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.070 6.638 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.352 6.423 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.321 5.525 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.126 6.567 -3.245 1.00 0.00 H new ATOM 367 N ASP A 77 -2.142 8.560 1.491 1.00 0.00 N ATOM 368 CA ASP A 77 -2.001 9.590 2.513 1.00 0.00 C ATOM 369 C ASP A 77 -0.567 9.652 3.029 1.00 0.00 C ATOM 370 O ASP A 77 -0.322 9.533 4.229 1.00 0.00 O ATOM 371 CB ASP A 77 -2.962 9.323 3.672 1.00 0.00 C ATOM 372 CG ASP A 77 -3.411 10.598 4.359 1.00 0.00 C ATOM 373 OD1 ASP A 77 -3.914 11.503 3.660 1.00 0.00 O ATOM 374 OD2 ASP A 77 -3.260 10.691 5.595 1.00 0.00 O ATOM 0 H ASP A 77 -2.137 7.606 1.851 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.247 10.551 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.835 8.788 3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.476 8.673 4.400 1.00 0.00 H new ATOM 379 N TYR A 78 0.378 9.838 2.113 1.00 0.00 N ATOM 380 CA TYR A 78 1.788 9.913 2.475 1.00 0.00 C ATOM 381 C TYR A 78 1.968 10.581 3.835 1.00 0.00 C ATOM 382 O TYR A 78 2.789 10.152 4.646 1.00 0.00 O ATOM 383 CB TYR A 78 2.570 10.683 1.409 1.00 0.00 C ATOM 384 CG TYR A 78 2.163 10.340 -0.006 1.00 0.00 C ATOM 385 CD1 TYR A 78 1.063 10.947 -0.600 1.00 0.00 C ATOM 386 CD2 TYR A 78 2.877 9.408 -0.749 1.00 0.00 C ATOM 387 CE1 TYR A 78 0.687 10.636 -1.893 1.00 0.00 C ATOM 388 CE2 TYR A 78 2.510 9.092 -2.042 1.00 0.00 C ATOM 389 CZ TYR A 78 1.414 9.708 -2.610 1.00 0.00 C ATOM 390 OH TYR A 78 1.043 9.395 -3.897 1.00 0.00 O ATOM 0 H TYR A 78 0.193 9.939 1.115 1.00 0.00 H new ATOM 0 HA TYR A 78 2.175 8.896 2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.430 11.752 1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.634 10.478 1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.492 11.674 -0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.734 8.922 -0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.171 11.117 -2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.078 8.367 -2.606 1.00 0.00 H new ATOM 0 HH TYR A 78 1.659 8.726 -4.261 1.00 0.00 H new ATOM 400 N ARG A 79 1.192 11.633 4.077 1.00 0.00 N ATOM 401 CA ARG A 79 1.265 12.361 5.338 1.00 0.00 C ATOM 402 C ARG A 79 1.156 11.407 6.524 1.00 0.00 C ATOM 403 O ARG A 79 2.042 11.358 7.376 1.00 0.00 O ATOM 404 CB ARG A 79 0.154 13.410 5.409 1.00 0.00 C ATOM 405 CG ARG A 79 0.484 14.586 6.315 1.00 0.00 C ATOM 406 CD ARG A 79 0.298 14.229 7.781 1.00 0.00 C ATOM 407 NE ARG A 79 -1.095 14.356 8.203 1.00 0.00 N ATOM 408 CZ ARG A 79 -1.519 14.080 9.431 1.00 0.00 C ATOM 409 NH1 ARG A 79 -0.663 13.665 10.354 1.00 0.00 N ATOM 410 NH2 ARG A 79 -2.802 14.220 9.738 1.00 0.00 N ATOM 0 H ARG A 79 0.506 12.000 3.417 1.00 0.00 H new ATOM 0 HA ARG A 79 2.232 12.861 5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.048 13.782 4.404 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.761 12.935 5.763 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.513 14.901 6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.155 15.432 6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.636 13.207 7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.923 14.878 8.394 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.779 14.674 7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.324 13.557 10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.992 13.454 11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.464 14.540 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.127 14.008 10.681 1.00 0.00 H new ATOM 424 N ALA A 80 0.063 10.653 6.571 1.00 0.00 N ATOM 425 CA ALA A 80 -0.161 9.700 7.651 1.00 0.00 C ATOM 426 C ALA A 80 0.303 8.302 7.255 1.00 0.00 C ATOM 427 O ALA A 80 -0.239 7.301 7.723 1.00 0.00 O ATOM 428 CB ALA A 80 -1.632 9.679 8.039 1.00 0.00 C ATOM 0 H ALA A 80 -0.681 10.684 5.874 1.00 0.00 H new ATOM 0 HA ALA A 80 0.427 10.019 8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.785 8.963 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.935 10.672 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.232 9.387 7.177 1.00 0.00 H new ATOM 434 N LYS A 81 1.310 8.241 6.390 1.00 0.00 N ATOM 435 CA LYS A 81 1.848 6.966 5.931 1.00 0.00 C ATOM 436 C LYS A 81 0.746 5.917 5.823 1.00 0.00 C ATOM 437 O LYS A 81 0.929 4.767 6.225 1.00 0.00 O ATOM 438 CB LYS A 81 2.941 6.478 6.884 1.00 0.00 C ATOM 439 CG LYS A 81 4.072 7.474 7.074 1.00 0.00 C ATOM 440 CD LYS A 81 3.770 8.454 8.195 1.00 0.00 C ATOM 441 CE LYS A 81 5.011 9.231 8.606 1.00 0.00 C ATOM 442 NZ LYS A 81 6.069 8.337 9.153 1.00 0.00 N ATOM 0 H LYS A 81 1.770 9.060 5.993 1.00 0.00 H new ATOM 0 HA LYS A 81 2.279 7.117 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.494 6.259 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.352 5.543 6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.995 6.939 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.236 8.021 6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.995 9.149 7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.376 7.914 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.402 9.772 7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.742 9.976 9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.727 8.894 9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.630 7.597 9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.590 7.895 8.369 1.00 0.00 H new ATOM 456 N LEU A 82 -0.396 6.319 5.278 1.00 0.00 N ATOM 457 CA LEU A 82 -1.528 5.413 5.116 1.00 0.00 C ATOM 458 C LEU A 82 -2.187 5.603 3.754 1.00 0.00 C ATOM 459 O LEU A 82 -2.392 6.731 3.305 1.00 0.00 O ATOM 460 CB LEU A 82 -2.553 5.641 6.228 1.00 0.00 C ATOM 461 CG LEU A 82 -2.247 4.976 7.571 1.00 0.00 C ATOM 462 CD1 LEU A 82 -3.175 5.505 8.653 1.00 0.00 C ATOM 463 CD2 LEU A 82 -2.366 3.463 7.455 1.00 0.00 C ATOM 0 H LEU A 82 -0.563 7.267 4.940 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.155 4.391 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.650 6.714 6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.522 5.283 5.880 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.222 5.220 7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.942 5.020 9.601 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.040 6.582 8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.209 5.293 8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.145 3.006 8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.380 3.200 7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.659 3.098 6.710 1.00 0.00 H new ATOM 475 N TRP A 83 -2.519 4.494 3.104 1.00 0.00 N ATOM 476 CA TRP A 83 -3.158 4.538 1.793 1.00 0.00 C ATOM 477 C TRP A 83 -4.556 3.932 1.848 1.00 0.00 C ATOM 478 O TRP A 83 -4.713 2.733 2.075 1.00 0.00 O ATOM 479 CB TRP A 83 -2.306 3.796 0.762 1.00 0.00 C ATOM 480 CG TRP A 83 -2.218 2.321 1.016 1.00 0.00 C ATOM 481 CD1 TRP A 83 -1.350 1.684 1.856 1.00 0.00 C ATOM 482 CD2 TRP A 83 -3.028 1.300 0.424 1.00 0.00 C ATOM 483 NE1 TRP A 83 -1.571 0.329 1.821 1.00 0.00 N ATOM 484 CE2 TRP A 83 -2.595 0.067 0.951 1.00 0.00 C ATOM 485 CE3 TRP A 83 -4.077 1.306 -0.499 1.00 0.00 C ATOM 486 CZ2 TRP A 83 -3.176 -1.144 0.584 1.00 0.00 C ATOM 487 CZ3 TRP A 83 -4.652 0.103 -0.863 1.00 0.00 C ATOM 488 CH2 TRP A 83 -4.201 -1.108 -0.321 1.00 0.00 C ATOM 0 H TRP A 83 -2.357 3.553 3.463 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.247 5.583 1.495 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.723 3.962 -0.231 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.301 4.218 0.760 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.600 2.174 2.459 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -1.055 -0.369 2.357 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.432 2.235 -0.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.830 -2.079 0.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.462 0.096 -1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.672 -2.031 -0.624 1.00 0.00 H new ATOM 499 N ALA A 84 -5.567 4.768 1.639 1.00 0.00 N ATOM 500 CA ALA A 84 -6.952 4.313 1.663 1.00 0.00 C ATOM 501 C ALA A 84 -7.357 3.718 0.319 1.00 0.00 C ATOM 502 O ALA A 84 -7.012 4.249 -0.737 1.00 0.00 O ATOM 503 CB ALA A 84 -7.878 5.461 2.034 1.00 0.00 C ATOM 0 H ALA A 84 -5.453 5.764 1.451 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.039 3.532 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -8.909 5.107 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -7.611 5.840 3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -7.779 6.260 1.300 1.00 0.00 H new ATOM 509 N CYS A 85 -8.091 2.611 0.364 1.00 0.00 N ATOM 510 CA CYS A 85 -8.542 1.942 -0.850 1.00 0.00 C ATOM 511 C CYS A 85 -9.674 2.722 -1.512 1.00 0.00 C ATOM 512 O CYS A 85 -10.404 3.458 -0.850 1.00 0.00 O ATOM 513 CB CYS A 85 -9.007 0.519 -0.530 1.00 0.00 C ATOM 514 SG CYS A 85 -8.874 -0.638 -1.930 1.00 0.00 S ATOM 0 H CYS A 85 -8.386 2.158 1.229 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.702 1.896 -1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.418 0.134 0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -10.045 0.553 -0.198 1.00 0.00 H new ATOM 519 N ASN A 86 -9.814 2.553 -2.823 1.00 0.00 N ATOM 520 CA ASN A 86 -10.857 3.241 -3.575 1.00 0.00 C ATOM 521 C ASN A 86 -12.113 2.382 -3.675 1.00 0.00 C ATOM 522 O ASN A 86 -13.228 2.899 -3.740 1.00 0.00 O ATOM 523 CB ASN A 86 -10.354 3.595 -4.976 1.00 0.00 C ATOM 524 CG ASN A 86 -10.384 2.407 -5.918 1.00 0.00 C ATOM 525 OD1 ASN A 86 -11.262 2.301 -6.775 1.00 0.00 O ATOM 526 ND2 ASN A 86 -9.422 1.504 -5.763 1.00 0.00 N ATOM 0 H ASN A 86 -9.219 1.946 -3.386 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.109 4.159 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.967 4.397 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.335 3.976 -4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.391 0.683 -6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.714 1.632 -5.040 1.00 0.00 H new ATOM 533 N PHE A 87 -11.924 1.066 -3.686 1.00 0.00 N ATOM 534 CA PHE A 87 -13.041 0.134 -3.778 1.00 0.00 C ATOM 535 C PHE A 87 -13.567 -0.223 -2.391 1.00 0.00 C ATOM 536 O PHE A 87 -14.619 0.259 -1.970 1.00 0.00 O ATOM 537 CB PHE A 87 -12.614 -1.136 -4.516 1.00 0.00 C ATOM 538 CG PHE A 87 -12.081 -0.877 -5.897 1.00 0.00 C ATOM 539 CD1 PHE A 87 -12.847 -0.201 -6.833 1.00 0.00 C ATOM 540 CD2 PHE A 87 -10.815 -1.307 -6.257 1.00 0.00 C ATOM 541 CE1 PHE A 87 -12.359 0.038 -8.104 1.00 0.00 C ATOM 542 CE2 PHE A 87 -10.322 -1.071 -7.526 1.00 0.00 C ATOM 543 CZ PHE A 87 -11.095 -0.396 -8.451 1.00 0.00 C ATOM 0 H PHE A 87 -11.007 0.622 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 87 -13.841 0.619 -4.337 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.850 -1.647 -3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.467 -1.811 -4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.836 0.143 -6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -10.206 -1.833 -5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -12.966 0.564 -8.826 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.334 -1.414 -7.794 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.712 -0.208 -9.443 1.00 0.00 H new ATOM 553 N CYS A 88 -12.827 -1.072 -1.685 1.00 0.00 N ATOM 554 CA CYS A 88 -13.218 -1.496 -0.346 1.00 0.00 C ATOM 555 C CYS A 88 -13.250 -0.309 0.613 1.00 0.00 C ATOM 556 O CYS A 88 -13.973 -0.323 1.610 1.00 0.00 O ATOM 557 CB CYS A 88 -12.251 -2.561 0.177 1.00 0.00 C ATOM 558 SG CYS A 88 -10.743 -1.885 0.943 1.00 0.00 S ATOM 0 H CYS A 88 -11.953 -1.480 -2.018 1.00 0.00 H new ATOM 0 HA CYS A 88 -14.220 -1.921 -0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.771 -3.180 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -11.965 -3.213 -0.648 1.00 0.00 H new ATOM 563 N TYR A 89 -12.464 0.715 0.304 1.00 0.00 N ATOM 564 CA TYR A 89 -12.401 1.909 1.138 1.00 0.00 C ATOM 565 C TYR A 89 -11.931 1.564 2.548 1.00 0.00 C ATOM 566 O TYR A 89 -12.566 1.940 3.534 1.00 0.00 O ATOM 567 CB TYR A 89 -13.769 2.590 1.196 1.00 0.00 C ATOM 568 CG TYR A 89 -14.024 3.537 0.045 1.00 0.00 C ATOM 569 CD1 TYR A 89 -13.225 4.658 -0.147 1.00 0.00 C ATOM 570 CD2 TYR A 89 -15.063 3.312 -0.849 1.00 0.00 C ATOM 571 CE1 TYR A 89 -13.455 5.526 -1.197 1.00 0.00 C ATOM 572 CE2 TYR A 89 -15.299 4.174 -1.902 1.00 0.00 C ATOM 573 CZ TYR A 89 -14.492 5.280 -2.072 1.00 0.00 C ATOM 574 OH TYR A 89 -14.724 6.142 -3.119 1.00 0.00 O ATOM 0 H TYR A 89 -11.861 0.743 -0.518 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.681 2.595 0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -14.546 1.825 1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.852 3.140 2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.411 4.854 0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.697 2.448 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.826 6.393 -1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.111 3.983 -2.588 1.00 0.00 H new ATOM 0 HH TYR A 89 -15.490 5.824 -3.641 1.00 0.00 H new ATOM 584 N GLN A 90 -10.816 0.847 2.635 1.00 0.00 N ATOM 585 CA GLN A 90 -10.261 0.451 3.924 1.00 0.00 C ATOM 586 C GLN A 90 -8.861 1.025 4.114 1.00 0.00 C ATOM 587 O GLN A 90 -8.031 0.975 3.206 1.00 0.00 O ATOM 588 CB GLN A 90 -10.220 -1.074 4.038 1.00 0.00 C ATOM 589 CG GLN A 90 -9.842 -1.570 5.424 1.00 0.00 C ATOM 590 CD GLN A 90 -10.855 -1.178 6.481 1.00 0.00 C ATOM 591 OE1 GLN A 90 -12.039 -1.008 6.189 1.00 0.00 O ATOM 592 NE2 GLN A 90 -10.395 -1.033 7.718 1.00 0.00 N ATOM 0 H GLN A 90 -10.279 0.528 1.829 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.906 0.850 4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.197 -1.476 3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.506 -1.465 3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.746 -2.656 5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.866 -1.169 5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.406 -1.184 7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.031 -0.771 8.471 1.00 0.00 H new ATOM 601 N ARG A 91 -8.606 1.570 5.299 1.00 0.00 N ATOM 602 CA ARG A 91 -7.307 2.155 5.607 1.00 0.00 C ATOM 603 C ARG A 91 -6.286 1.070 5.935 1.00 0.00 C ATOM 604 O ARG A 91 -6.364 0.426 6.980 1.00 0.00 O ATOM 605 CB ARG A 91 -7.428 3.129 6.781 1.00 0.00 C ATOM 606 CG ARG A 91 -8.414 4.259 6.536 1.00 0.00 C ATOM 607 CD ARG A 91 -7.728 5.475 5.933 1.00 0.00 C ATOM 608 NE ARG A 91 -6.760 6.069 6.851 1.00 0.00 N ATOM 609 CZ ARG A 91 -6.389 7.344 6.804 1.00 0.00 C ATOM 610 NH1 ARG A 91 -6.903 8.154 5.889 1.00 0.00 N ATOM 611 NH2 ARG A 91 -5.503 7.810 7.674 1.00 0.00 N ATOM 0 H ARG A 91 -9.282 1.619 6.061 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.963 2.699 4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -7.734 2.577 7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.447 3.554 6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.203 3.916 5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.891 4.537 7.476 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.223 5.186 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.478 6.219 5.666 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.346 5.473 7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.585 7.799 5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.616 9.132 5.855 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.106 7.190 8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.219 8.789 7.637 1.00 0.00 H new ATOM 625 N ASN A 92 -5.329 0.873 5.034 1.00 0.00 N ATOM 626 CA ASN A 92 -4.292 -0.135 5.227 1.00 0.00 C ATOM 627 C ASN A 92 -2.937 0.519 5.476 1.00 0.00 C ATOM 628 O ASN A 92 -2.643 1.585 4.935 1.00 0.00 O ATOM 629 CB ASN A 92 -4.212 -1.053 4.006 1.00 0.00 C ATOM 630 CG ASN A 92 -5.580 -1.401 3.452 1.00 0.00 C ATOM 631 OD1 ASN A 92 -6.285 -2.251 3.997 1.00 0.00 O ATOM 632 ND2 ASN A 92 -5.962 -0.744 2.363 1.00 0.00 N ATOM 0 H ASN A 92 -5.250 1.398 4.163 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.555 -0.728 6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.621 -0.568 3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.690 -1.970 4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.872 -0.936 1.945 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.345 -0.048 1.945 1.00 0.00 H new ATOM 639 N GLN A 93 -2.116 -0.127 6.296 1.00 0.00 N ATOM 640 CA GLN A 93 -0.791 0.392 6.617 1.00 0.00 C ATOM 641 C GLN A 93 0.207 0.053 5.515 1.00 0.00 C ATOM 642 O GLN A 93 0.149 -1.023 4.920 1.00 0.00 O ATOM 643 CB GLN A 93 -0.307 -0.176 7.952 1.00 0.00 C ATOM 644 CG GLN A 93 -1.219 0.157 9.121 1.00 0.00 C ATOM 645 CD GLN A 93 -1.078 -0.822 10.269 1.00 0.00 C ATOM 646 OE1 GLN A 93 -1.844 -1.780 10.381 1.00 0.00 O ATOM 647 NE2 GLN A 93 -0.095 -0.588 11.131 1.00 0.00 N ATOM 0 H GLN A 93 -2.344 -1.011 6.751 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.863 1.477 6.697 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.221 -1.259 7.867 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.692 0.208 8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.995 1.163 9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.254 0.163 8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.517 0.218 11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.048 -1.214 11.923 1.00 0.00 H new ATOM 656 N PHE A 94 1.122 0.979 5.247 1.00 0.00 N ATOM 657 CA PHE A 94 2.133 0.779 4.215 1.00 0.00 C ATOM 658 C PHE A 94 2.933 -0.494 4.477 1.00 0.00 C ATOM 659 O PHE A 94 2.971 -1.016 5.592 1.00 0.00 O ATOM 660 CB PHE A 94 3.075 1.983 4.154 1.00 0.00 C ATOM 661 CG PHE A 94 2.580 3.087 3.265 1.00 0.00 C ATOM 662 CD1 PHE A 94 1.378 3.723 3.531 1.00 0.00 C ATOM 663 CD2 PHE A 94 3.316 3.490 2.162 1.00 0.00 C ATOM 664 CE1 PHE A 94 0.920 4.739 2.714 1.00 0.00 C ATOM 665 CE2 PHE A 94 2.863 4.505 1.341 1.00 0.00 C ATOM 666 CZ PHE A 94 1.664 5.131 1.618 1.00 0.00 C ATOM 0 H PHE A 94 1.184 1.875 5.730 1.00 0.00 H new ATOM 0 HA PHE A 94 1.623 0.676 3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.217 2.375 5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.052 1.653 3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.792 3.421 4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.255 3.005 1.941 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.019 5.226 2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.446 4.808 0.484 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.308 5.926 0.979 1.00 0.00 H new ATOM 676 N PRO A 95 3.589 -1.007 3.425 1.00 0.00 N ATOM 677 CA PRO A 95 4.400 -2.224 3.515 1.00 0.00 C ATOM 678 C PRO A 95 5.672 -2.015 4.330 1.00 0.00 C ATOM 679 O PRO A 95 6.115 -0.888 4.555 1.00 0.00 O ATOM 680 CB PRO A 95 4.744 -2.530 2.055 1.00 0.00 C ATOM 681 CG PRO A 95 4.669 -1.212 1.364 1.00 0.00 C ATOM 682 CD PRO A 95 3.588 -0.437 2.067 1.00 0.00 C ATOM 0 HA PRO A 95 3.869 -3.031 4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.738 -2.968 1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.042 -3.244 1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.623 -0.688 1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.434 -1.338 0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.803 0.632 2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.621 -0.562 1.579 1.00 0.00 H new ATOM 690 N PRO A 96 6.275 -3.124 4.783 1.00 0.00 N ATOM 691 CA PRO A 96 7.505 -3.087 5.579 1.00 0.00 C ATOM 692 C PRO A 96 8.713 -2.647 4.759 1.00 0.00 C ATOM 693 O PRO A 96 9.479 -1.780 5.179 1.00 0.00 O ATOM 694 CB PRO A 96 7.672 -4.537 6.041 1.00 0.00 C ATOM 695 CG PRO A 96 6.955 -5.346 5.017 1.00 0.00 C ATOM 696 CD PRO A 96 5.802 -4.499 4.553 1.00 0.00 C ATOM 0 HA PRO A 96 7.440 -2.369 6.397 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.724 -4.815 6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.247 -4.688 7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.614 -5.597 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.603 -6.287 5.440 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.572 -4.674 3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.894 -4.712 5.118 1.00 0.00 H new ATOM 704 N SER A 97 8.878 -3.251 3.586 1.00 0.00 N ATOM 705 CA SER A 97 9.995 -2.924 2.708 1.00 0.00 C ATOM 706 C SER A 97 9.539 -2.030 1.558 1.00 0.00 C ATOM 707 O SER A 97 9.289 -2.505 0.450 1.00 0.00 O ATOM 708 CB SER A 97 10.629 -4.202 2.155 1.00 0.00 C ATOM 709 OG SER A 97 11.561 -3.907 1.130 1.00 0.00 O ATOM 0 H SER A 97 8.252 -3.969 3.222 1.00 0.00 H new ATOM 0 HA SER A 97 10.738 -2.383 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.128 -4.742 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.851 -4.858 1.765 1.00 0.00 H new ATOM 0 HG SER A 97 11.953 -4.740 0.795 1.00 0.00 H new ATOM 715 N TYR A 98 9.433 -0.735 1.831 1.00 0.00 N ATOM 716 CA TYR A 98 9.005 0.226 0.821 1.00 0.00 C ATOM 717 C TYR A 98 10.185 1.052 0.319 1.00 0.00 C ATOM 718 O TYR A 98 10.064 2.256 0.093 1.00 0.00 O ATOM 719 CB TYR A 98 7.927 1.150 1.390 1.00 0.00 C ATOM 720 CG TYR A 98 8.450 2.130 2.417 1.00 0.00 C ATOM 721 CD1 TYR A 98 8.750 1.717 3.709 1.00 0.00 C ATOM 722 CD2 TYR A 98 8.642 3.467 2.094 1.00 0.00 C ATOM 723 CE1 TYR A 98 9.227 2.609 4.650 1.00 0.00 C ATOM 724 CE2 TYR A 98 9.120 4.365 3.029 1.00 0.00 C ATOM 725 CZ TYR A 98 9.411 3.932 4.305 1.00 0.00 C ATOM 726 OH TYR A 98 9.886 4.824 5.239 1.00 0.00 O ATOM 0 H TYR A 98 9.637 -0.326 2.743 1.00 0.00 H new ATOM 0 HA TYR A 98 8.591 -0.330 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 98 7.467 1.705 0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.143 0.544 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.608 0.682 3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.414 3.810 1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.455 2.272 5.651 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.265 5.401 2.761 1.00 0.00 H new ATOM 0 HH TYR A 98 9.959 5.714 4.834 1.00 0.00 H new ATOM 736 N ALA A 99 11.328 0.395 0.147 1.00 0.00 N ATOM 737 CA ALA A 99 12.530 1.066 -0.330 1.00 0.00 C ATOM 738 C ALA A 99 12.651 0.965 -1.847 1.00 0.00 C ATOM 739 O ALA A 99 12.628 -0.129 -2.409 1.00 0.00 O ATOM 740 CB ALA A 99 13.764 0.479 0.339 1.00 0.00 C ATOM 0 H ALA A 99 11.446 -0.601 0.331 1.00 0.00 H new ATOM 0 HA ALA A 99 12.454 2.121 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 99 14.654 0.990 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 99 13.689 0.609 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.834 -0.583 0.106 1.00 0.00 H new ATOM 746 N GLY A 100 12.778 2.113 -2.505 1.00 0.00 N ATOM 747 CA GLY A 100 12.899 2.131 -3.951 1.00 0.00 C ATOM 748 C GLY A 100 11.740 1.436 -4.638 1.00 0.00 C ATOM 749 O GLY A 100 11.935 0.699 -5.605 1.00 0.00 O ATOM 0 H GLY A 100 12.799 3.032 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.955 3.164 -4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.832 1.647 -4.241 1.00 0.00 H new ATOM 753 N ILE A 101 10.532 1.670 -4.137 1.00 0.00 N ATOM 754 CA ILE A 101 9.338 1.060 -4.710 1.00 0.00 C ATOM 755 C ILE A 101 8.958 1.726 -6.028 1.00 0.00 C ATOM 756 O ILE A 101 8.802 2.945 -6.097 1.00 0.00 O ATOM 757 CB ILE A 101 8.143 1.146 -3.742 1.00 0.00 C ATOM 758 CG1 ILE A 101 8.495 0.494 -2.403 1.00 0.00 C ATOM 759 CG2 ILE A 101 6.917 0.485 -4.354 1.00 0.00 C ATOM 760 CD1 ILE A 101 8.769 -0.990 -2.508 1.00 0.00 C ATOM 0 H ILE A 101 10.354 2.277 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 101 9.575 0.012 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 101 7.914 2.197 -3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.372 0.989 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.675 0.655 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.081 0.554 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.657 0.990 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.133 -0.564 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.012 -1.386 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.885 -1.497 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.608 -1.158 -3.183 1.00 0.00 H new ATOM 772 N SER A 102 8.810 0.917 -7.072 1.00 0.00 N ATOM 773 CA SER A 102 8.451 1.428 -8.390 1.00 0.00 C ATOM 774 C SER A 102 7.144 2.213 -8.330 1.00 0.00 C ATOM 775 O SER A 102 7.044 3.313 -8.872 1.00 0.00 O ATOM 776 CB SER A 102 8.322 0.276 -9.389 1.00 0.00 C ATOM 777 OG SER A 102 7.433 -0.718 -8.909 1.00 0.00 O ATOM 0 H SER A 102 8.933 -0.095 -7.031 1.00 0.00 H new ATOM 0 HA SER A 102 9.243 2.099 -8.721 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.964 0.658 -10.345 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.302 -0.165 -9.569 1.00 0.00 H new ATOM 0 HG SER A 102 7.366 -1.442 -9.566 1.00 0.00 H new ATOM 783 N GLU A 103 6.145 1.638 -7.667 1.00 0.00 N ATOM 784 CA GLU A 103 4.844 2.284 -7.538 1.00 0.00 C ATOM 785 C GLU A 103 4.977 3.646 -6.863 1.00 0.00 C ATOM 786 O GLU A 103 4.523 4.661 -7.392 1.00 0.00 O ATOM 787 CB GLU A 103 3.887 1.397 -6.737 1.00 0.00 C ATOM 788 CG GLU A 103 3.467 0.136 -7.474 1.00 0.00 C ATOM 789 CD GLU A 103 2.431 0.406 -8.548 1.00 0.00 C ATOM 790 OE1 GLU A 103 2.829 0.756 -9.679 1.00 0.00 O ATOM 791 OE2 GLU A 103 1.225 0.269 -8.258 1.00 0.00 O ATOM 0 H GLU A 103 6.212 0.728 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 103 4.440 2.432 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.364 1.117 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.997 1.973 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.344 -0.324 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.065 -0.582 -6.759 1.00 0.00 H new ATOM 798 N LEU A 104 5.602 3.660 -5.690 1.00 0.00 N ATOM 799 CA LEU A 104 5.796 4.896 -4.941 1.00 0.00 C ATOM 800 C LEU A 104 6.529 5.935 -5.784 1.00 0.00 C ATOM 801 O LEU A 104 6.163 7.109 -5.796 1.00 0.00 O ATOM 802 CB LEU A 104 6.579 4.620 -3.657 1.00 0.00 C ATOM 803 CG LEU A 104 5.878 3.743 -2.619 1.00 0.00 C ATOM 804 CD1 LEU A 104 6.796 3.479 -1.436 1.00 0.00 C ATOM 805 CD2 LEU A 104 4.583 4.395 -2.156 1.00 0.00 C ATOM 0 H LEU A 104 5.983 2.829 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 104 4.814 5.292 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.523 4.146 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.823 5.575 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 104 5.634 2.788 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.280 2.853 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.696 2.969 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.071 4.426 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.098 3.757 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.803 5.364 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.919 4.532 -3.010 1.00 0.00 H new ATOM 817 N ASN A 105 7.564 5.492 -6.490 1.00 0.00 N ATOM 818 CA ASN A 105 8.348 6.383 -7.338 1.00 0.00 C ATOM 819 C ASN A 105 7.477 7.009 -8.422 1.00 0.00 C ATOM 820 O ASN A 105 6.370 6.541 -8.688 1.00 0.00 O ATOM 821 CB ASN A 105 9.510 5.621 -7.978 1.00 0.00 C ATOM 822 CG ASN A 105 10.702 6.514 -8.260 1.00 0.00 C ATOM 823 OD1 ASN A 105 10.549 7.705 -8.533 1.00 0.00 O ATOM 824 ND2 ASN A 105 11.899 5.941 -8.197 1.00 0.00 N ATOM 0 H ASN A 105 7.879 4.522 -6.492 1.00 0.00 H new ATOM 0 HA ASN A 105 8.747 7.181 -6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.816 4.809 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 105 9.173 5.165 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 105 12.738 6.492 -8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 105 11.979 4.950 -7.967 1.00 0.00 H new ATOM 831 N GLN A 106 7.985 8.068 -9.044 1.00 0.00 N ATOM 832 CA GLN A 106 7.252 8.757 -10.100 1.00 0.00 C ATOM 833 C GLN A 106 7.766 8.348 -11.476 1.00 0.00 C ATOM 834 O GLN A 106 8.947 8.054 -11.662 1.00 0.00 O ATOM 835 CB GLN A 106 7.372 10.272 -9.927 1.00 0.00 C ATOM 836 CG GLN A 106 6.610 10.810 -8.728 1.00 0.00 C ATOM 837 CD GLN A 106 5.149 10.406 -8.735 1.00 0.00 C ATOM 838 OE1 GLN A 106 4.804 9.275 -8.390 1.00 0.00 O ATOM 839 NE2 GLN A 106 4.280 11.329 -9.130 1.00 0.00 N ATOM 0 H GLN A 106 8.900 8.467 -8.835 1.00 0.00 H new ATOM 0 HA GLN A 106 6.203 8.471 -10.025 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.425 10.535 -9.826 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.006 10.762 -10.829 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.078 10.448 -7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.682 11.898 -8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.609 12.254 -9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.283 11.113 -9.156 1.00 0.00 H new ATOM 848 N PRO A 107 6.860 8.327 -12.465 1.00 0.00 N ATOM 849 CA PRO A 107 7.199 7.955 -13.842 1.00 0.00 C ATOM 850 C PRO A 107 8.068 9.003 -14.528 1.00 0.00 C ATOM 851 O PRO A 107 7.945 10.198 -14.259 1.00 0.00 O ATOM 852 CB PRO A 107 5.835 7.858 -14.529 1.00 0.00 C ATOM 853 CG PRO A 107 4.946 8.751 -13.734 1.00 0.00 C ATOM 854 CD PRO A 107 5.435 8.665 -12.315 1.00 0.00 C ATOM 0 HA PRO A 107 7.779 7.033 -13.884 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.892 8.180 -15.569 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.465 6.833 -14.532 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.993 9.776 -14.102 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.906 8.433 -13.808 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.299 9.608 -11.785 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.898 7.902 -11.751 1.00 0.00 H new ATOM 862 N ALA A 108 8.946 8.548 -15.416 1.00 0.00 N ATOM 863 CA ALA A 108 9.833 9.447 -16.143 1.00 0.00 C ATOM 864 C ALA A 108 10.765 10.188 -15.189 1.00 0.00 C ATOM 865 O ALA A 108 11.157 11.325 -15.448 1.00 0.00 O ATOM 866 CB ALA A 108 9.023 10.437 -16.966 1.00 0.00 C ATOM 0 H ALA A 108 9.062 7.562 -15.649 1.00 0.00 H new ATOM 0 HA ALA A 108 10.445 8.847 -16.816 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.699 11.102 -17.504 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.403 9.895 -17.680 1.00 0.00 H new ATOM 0 HB3 ALA A 108 8.386 11.024 -16.305 1.00 0.00 H new TER 872 ALA A 108 HETATM 873 ZN ZN A 200 -9.236 -2.587 -0.664 1.00 0.00 ZN