USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 30 CYS SG : rot -76:sc= 0.805 USER MOD Set 1.2: A 79 CYS SG : rot 179:sc= 0.971 USER MOD Set 2.1: A 57 GLN : amide:sc= 1.16 K(o=0.98,f=-0.93) USER MOD Set 2.2: A 62 CYS SG : rot -110:sc= -0.175 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0339 USER MOD Single : A 17 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.058) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -121:sc= -1.44 (180deg=-1.89) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -0.532 (180deg=-0.936) USER MOD Single : A 46 ASN : amide:sc= -0.84 X(o=-0.84,f=-0.46) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0057 X(o=-0.0057,f=-0.28) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 139:sc= -0.269 (180deg=-2.32!) USER MOD Single : A 77 TYR OH : rot -25:sc= 0.0179 USER MOD Single : A 81 CYS SG : rot 70:sc= -4.04! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 86 THR OG1 : rot 150:sc= -0.617 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 0.807 16.095 -2.219 1.00 0.00 N ATOM 81 CA ALA A 9 1.524 15.159 -1.362 1.00 0.00 C ATOM 82 C ALA A 9 2.588 14.400 -2.149 1.00 0.00 C ATOM 83 O ALA A 9 2.281 13.701 -3.114 1.00 0.00 O ATOM 84 CB ALA A 9 0.552 14.186 -0.712 1.00 0.00 C ATOM 0 HA ALA A 9 2.025 15.731 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.102 13.493 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.168 14.739 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.025 13.627 -1.485 1.00 0.00 H new ATOM 90 N LYS A 10 3.841 14.543 -1.730 1.00 0.00 N ATOM 91 CA LYS A 10 4.951 13.871 -2.395 1.00 0.00 C ATOM 92 C LYS A 10 5.315 12.578 -1.673 1.00 0.00 C ATOM 93 O LYS A 10 4.895 12.349 -0.538 1.00 0.00 O ATOM 94 CB LYS A 10 6.171 14.794 -2.455 1.00 0.00 C ATOM 95 CG LYS A 10 5.936 16.059 -3.263 1.00 0.00 C ATOM 96 CD LYS A 10 5.986 15.784 -4.757 1.00 0.00 C ATOM 97 CE LYS A 10 6.283 17.049 -5.547 1.00 0.00 C ATOM 98 NZ LYS A 10 6.926 16.747 -6.856 1.00 0.00 N ATOM 0 H LYS A 10 4.113 15.118 -0.933 1.00 0.00 H new ATOM 0 HA LYS A 10 4.638 13.625 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.459 15.069 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.009 14.247 -2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.966 16.483 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.689 16.803 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.751 15.036 -4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.034 15.365 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.357 17.598 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.936 17.697 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.112 17.635 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.823 16.246 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.292 16.149 -7.424 1.00 0.00 H new ATOM 112 N PHE A 11 6.100 11.736 -2.336 1.00 0.00 N ATOM 113 CA PHE A 11 6.521 10.465 -1.757 1.00 0.00 C ATOM 114 C PHE A 11 7.960 10.547 -1.254 1.00 0.00 C ATOM 115 O PHE A 11 8.890 10.766 -2.031 1.00 0.00 O ATOM 116 CB PHE A 11 6.392 9.343 -2.788 1.00 0.00 C ATOM 117 CG PHE A 11 4.991 8.824 -2.938 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.492 7.873 -2.063 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.172 9.288 -3.955 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.203 7.394 -2.198 1.00 0.00 C ATOM 121 CE2 PHE A 11 2.881 8.813 -4.095 1.00 0.00 C ATOM 122 CZ PHE A 11 2.397 7.864 -3.216 1.00 0.00 C ATOM 0 H PHE A 11 6.458 11.910 -3.275 1.00 0.00 H new ATOM 0 HA PHE A 11 5.870 10.247 -0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.741 9.707 -3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.047 8.520 -2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.118 7.501 -1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.546 10.029 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.826 6.653 -1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.252 9.184 -4.891 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.390 7.490 -3.325 1.00 0.00 H new ATOM 132 N THR A 12 8.135 10.369 0.052 1.00 0.00 N ATOM 133 CA THR A 12 9.458 10.424 0.660 1.00 0.00 C ATOM 134 C THR A 12 10.131 9.057 0.636 1.00 0.00 C ATOM 135 O THR A 12 11.325 8.948 0.358 1.00 0.00 O ATOM 136 CB THR A 12 9.387 10.924 2.115 1.00 0.00 C ATOM 137 OG1 THR A 12 8.523 10.078 2.882 1.00 0.00 O ATOM 138 CG2 THR A 12 8.882 12.358 2.171 1.00 0.00 C ATOM 0 H THR A 12 7.376 10.185 0.709 1.00 0.00 H new ATOM 0 HA THR A 12 10.048 11.126 0.071 1.00 0.00 H new ATOM 0 HB THR A 12 10.392 10.893 2.536 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.485 10.402 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.840 12.689 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.558 13.004 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.885 12.410 1.733 1.00 0.00 H new ATOM 146 N GLU A 13 9.358 8.016 0.929 1.00 0.00 N ATOM 147 CA GLU A 13 9.881 6.655 0.941 1.00 0.00 C ATOM 148 C GLU A 13 9.442 5.892 -0.305 1.00 0.00 C ATOM 149 O GLU A 13 10.240 5.201 -0.937 1.00 0.00 O ATOM 150 CB GLU A 13 9.413 5.916 2.196 1.00 0.00 C ATOM 151 CG GLU A 13 10.027 6.448 3.480 1.00 0.00 C ATOM 152 CD GLU A 13 11.529 6.254 3.533 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.241 6.915 2.747 1.00 0.00 O ATOM 154 OE2 GLU A 13 11.994 5.441 4.359 1.00 0.00 O ATOM 0 H GLU A 13 8.367 8.089 1.161 1.00 0.00 H new ATOM 0 HA GLU A 13 10.970 6.712 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.328 5.987 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.658 4.858 2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.798 7.509 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.569 5.946 4.332 1.00 0.00 H new ATOM 161 N GLY A 14 8.165 6.023 -0.653 1.00 0.00 N ATOM 162 CA GLY A 14 7.640 5.340 -1.821 1.00 0.00 C ATOM 163 C GLY A 14 7.396 3.866 -1.570 1.00 0.00 C ATOM 164 O GLY A 14 7.716 3.349 -0.498 1.00 0.00 O ATOM 0 H GLY A 14 7.485 6.590 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.706 5.813 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.339 5.453 -2.649 1.00 0.00 H new ATOM 168 N LEU A 15 6.827 3.185 -2.559 1.00 0.00 N ATOM 169 CA LEU A 15 6.538 1.760 -2.440 1.00 0.00 C ATOM 170 C LEU A 15 7.807 0.931 -2.610 1.00 0.00 C ATOM 171 O LEU A 15 8.825 1.429 -3.090 1.00 0.00 O ATOM 172 CB LEU A 15 5.498 1.342 -3.481 1.00 0.00 C ATOM 173 CG LEU A 15 4.054 1.750 -3.188 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.168 1.478 -4.394 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.530 1.017 -1.962 1.00 0.00 C ATOM 0 H LEU A 15 6.557 3.597 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 15 6.138 1.577 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.786 1.765 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.534 0.258 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 15 4.034 2.820 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.144 1.774 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.531 2.050 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.194 0.415 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.501 1.320 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.565 -0.058 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.149 1.263 -1.099 1.00 0.00 H new ATOM 187 N ARG A 16 7.737 -0.336 -2.215 1.00 0.00 N ATOM 188 CA ARG A 16 8.880 -1.234 -2.325 1.00 0.00 C ATOM 189 C ARG A 16 8.424 -2.662 -2.610 1.00 0.00 C ATOM 190 O ARG A 16 7.399 -3.110 -2.099 1.00 0.00 O ATOM 191 CB ARG A 16 9.709 -1.199 -1.040 1.00 0.00 C ATOM 192 CG ARG A 16 9.131 -2.048 0.081 1.00 0.00 C ATOM 193 CD ARG A 16 9.641 -1.597 1.441 1.00 0.00 C ATOM 194 NE ARG A 16 9.569 -2.665 2.434 1.00 0.00 N ATOM 195 CZ ARG A 16 10.510 -3.589 2.590 1.00 0.00 C ATOM 196 NH1 ARG A 16 11.591 -3.575 1.823 1.00 0.00 N ATOM 197 NH2 ARG A 16 10.372 -4.529 3.517 1.00 0.00 N ATOM 0 H ARG A 16 6.901 -0.764 -1.816 1.00 0.00 H new ATOM 0 HA ARG A 16 9.497 -0.895 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.720 -1.542 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.790 -0.167 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.043 -1.987 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.395 -3.093 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.673 -1.258 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.055 -0.744 1.783 1.00 0.00 H new ATOM 0 HE ARG A 16 8.751 -2.704 3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.702 -2.853 1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.312 -4.286 1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.543 -4.542 4.110 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.095 -5.238 3.636 1.00 0.00 H new ATOM 211 N ASN A 17 9.193 -3.371 -3.431 1.00 0.00 N ATOM 212 CA ASN A 17 8.867 -4.748 -3.785 1.00 0.00 C ATOM 213 C ASN A 17 8.771 -5.622 -2.538 1.00 0.00 C ATOM 214 O ASN A 17 9.470 -5.392 -1.552 1.00 0.00 O ATOM 215 CB ASN A 17 9.921 -5.314 -4.738 1.00 0.00 C ATOM 216 CG ASN A 17 11.259 -5.531 -4.058 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.543 -6.618 -3.555 1.00 0.00 O ATOM 218 ND2 ASN A 17 12.088 -4.494 -4.040 1.00 0.00 N ATOM 0 H ASN A 17 10.046 -3.015 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 17 7.898 -4.749 -4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.567 -6.260 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.050 -4.632 -5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.003 -4.580 -3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.810 -3.612 -4.470 1.00 0.00 H new ATOM 225 N GLU A 18 7.900 -6.625 -2.591 1.00 0.00 N ATOM 226 CA GLU A 18 7.713 -7.534 -1.466 1.00 0.00 C ATOM 227 C GLU A 18 7.119 -8.860 -1.930 1.00 0.00 C ATOM 228 O GLU A 18 6.754 -9.014 -3.095 1.00 0.00 O ATOM 229 CB GLU A 18 6.804 -6.896 -0.413 1.00 0.00 C ATOM 230 CG GLU A 18 5.341 -6.849 -0.820 1.00 0.00 C ATOM 231 CD GLU A 18 5.110 -6.026 -2.072 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.909 -5.101 -2.330 1.00 0.00 O ATOM 233 OE2 GLU A 18 4.130 -6.305 -2.795 1.00 0.00 O ATOM 0 H GLU A 18 7.313 -6.829 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 18 8.690 -7.729 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.895 -7.453 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.150 -5.882 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.981 -7.864 -0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.753 -6.432 -0.002 1.00 0.00 H new ATOM 240 N GLU A 19 7.028 -9.815 -1.010 1.00 0.00 N ATOM 241 CA GLU A 19 6.480 -11.129 -1.326 1.00 0.00 C ATOM 242 C GLU A 19 5.481 -11.573 -0.261 1.00 0.00 C ATOM 243 O GLU A 19 5.367 -10.951 0.795 1.00 0.00 O ATOM 244 CB GLU A 19 7.604 -12.160 -1.447 1.00 0.00 C ATOM 245 CG GLU A 19 8.377 -12.372 -0.156 1.00 0.00 C ATOM 246 CD GLU A 19 8.996 -11.092 0.371 1.00 0.00 C ATOM 247 OE1 GLU A 19 9.964 -10.603 -0.247 1.00 0.00 O ATOM 248 OE2 GLU A 19 8.511 -10.579 1.401 1.00 0.00 O ATOM 0 H GLU A 19 7.326 -9.704 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 19 5.959 -11.056 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.180 -13.112 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.296 -11.841 -2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.709 -12.786 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.163 -13.109 -0.324 1.00 0.00 H new ATOM 255 N ALA A 20 4.759 -12.651 -0.548 1.00 0.00 N ATOM 256 CA ALA A 20 3.771 -13.179 0.385 1.00 0.00 C ATOM 257 C ALA A 20 3.338 -14.586 -0.012 1.00 0.00 C ATOM 258 O ALA A 20 3.836 -15.148 -0.988 1.00 0.00 O ATOM 259 CB ALA A 20 2.566 -12.254 0.457 1.00 0.00 C ATOM 0 H ALA A 20 4.840 -13.176 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 20 4.232 -13.234 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.836 -12.661 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.884 -11.268 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.113 -12.169 -0.531 1.00 0.00 H new ATOM 265 N VAL A 21 2.407 -15.151 0.750 1.00 0.00 N ATOM 266 CA VAL A 21 1.906 -16.493 0.477 1.00 0.00 C ATOM 267 C VAL A 21 0.440 -16.458 0.060 1.00 0.00 C ATOM 268 O VAL A 21 -0.328 -15.618 0.527 1.00 0.00 O ATOM 269 CB VAL A 21 2.057 -17.409 1.706 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.525 -18.802 1.403 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.511 -17.471 2.149 1.00 0.00 C ATOM 0 H VAL A 21 1.984 -14.700 1.561 1.00 0.00 H new ATOM 0 HA VAL A 21 2.504 -16.894 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 21 1.469 -16.991 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.640 -19.435 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.470 -18.739 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.083 -19.232 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.599 -18.123 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.122 -17.865 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.855 -16.470 2.409 1.00 0.00 H new ATOM 281 N GLU A 22 0.059 -17.377 -0.821 1.00 0.00 N ATOM 282 CA GLU A 22 -1.315 -17.451 -1.302 1.00 0.00 C ATOM 283 C GLU A 22 -2.297 -17.514 -0.135 1.00 0.00 C ATOM 284 O GLU A 22 -2.060 -18.209 0.853 1.00 0.00 O ATOM 285 CB GLU A 22 -1.499 -18.673 -2.204 1.00 0.00 C ATOM 286 CG GLU A 22 -1.096 -18.429 -3.648 1.00 0.00 C ATOM 287 CD GLU A 22 -1.794 -19.366 -4.615 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.278 -20.482 -4.835 1.00 0.00 O ATOM 289 OE2 GLU A 22 -2.855 -18.984 -5.152 1.00 0.00 O ATOM 0 H GLU A 22 0.683 -18.081 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.520 -16.549 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.911 -19.500 -1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.544 -18.982 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.327 -17.398 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.017 -18.550 -3.746 1.00 0.00 H new ATOM 296 N GLY A 23 -3.400 -16.782 -0.256 1.00 0.00 N ATOM 297 CA GLY A 23 -4.400 -16.768 0.795 1.00 0.00 C ATOM 298 C GLY A 23 -4.141 -15.689 1.828 1.00 0.00 C ATOM 299 O GLY A 23 -5.075 -15.064 2.330 1.00 0.00 O ATOM 0 H GLY A 23 -3.619 -16.198 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.385 -16.615 0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.419 -17.740 1.287 1.00 0.00 H new ATOM 303 N ALA A 24 -2.870 -15.470 2.147 1.00 0.00 N ATOM 304 CA ALA A 24 -2.491 -14.460 3.126 1.00 0.00 C ATOM 305 C ALA A 24 -2.911 -13.067 2.668 1.00 0.00 C ATOM 306 O ALA A 24 -3.553 -12.911 1.629 1.00 0.00 O ATOM 307 CB ALA A 24 -0.991 -14.504 3.377 1.00 0.00 C ATOM 0 H ALA A 24 -2.085 -15.979 1.741 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.011 -14.681 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.722 -13.744 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.714 -15.488 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.460 -14.312 2.445 1.00 0.00 H new ATOM 313 N THR A 25 -2.547 -12.056 3.451 1.00 0.00 N ATOM 314 CA THR A 25 -2.888 -10.677 3.128 1.00 0.00 C ATOM 315 C THR A 25 -1.634 -9.835 2.918 1.00 0.00 C ATOM 316 O THR A 25 -0.936 -9.497 3.873 1.00 0.00 O ATOM 317 CB THR A 25 -3.745 -10.035 4.235 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.865 -10.875 4.537 1.00 0.00 O ATOM 319 CG2 THR A 25 -4.235 -8.659 3.811 1.00 0.00 C ATOM 0 H THR A 25 -2.015 -12.167 4.314 1.00 0.00 H new ATOM 0 HA THR A 25 -3.464 -10.703 2.203 1.00 0.00 H new ATOM 0 HB THR A 25 -3.125 -9.923 5.125 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.404 -10.461 5.243 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.838 -8.226 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.380 -8.014 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.839 -8.750 2.908 1.00 0.00 H new ATOM 327 N ALA A 26 -1.356 -9.499 1.663 1.00 0.00 N ATOM 328 CA ALA A 26 -0.187 -8.694 1.329 1.00 0.00 C ATOM 329 C ALA A 26 -0.083 -7.474 2.239 1.00 0.00 C ATOM 330 O ALA A 26 -0.981 -7.205 3.036 1.00 0.00 O ATOM 331 CB ALA A 26 -0.242 -8.264 -0.129 1.00 0.00 C ATOM 0 H ALA A 26 -1.924 -9.771 0.861 1.00 0.00 H new ATOM 0 HA ALA A 26 0.702 -9.306 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.637 -7.664 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.261 -9.147 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.142 -7.673 -0.300 1.00 0.00 H new ATOM 337 N MET A 27 1.018 -6.740 2.113 1.00 0.00 N ATOM 338 CA MET A 27 1.238 -5.549 2.924 1.00 0.00 C ATOM 339 C MET A 27 2.040 -4.506 2.152 1.00 0.00 C ATOM 340 O MET A 27 3.230 -4.690 1.892 1.00 0.00 O ATOM 341 CB MET A 27 1.968 -5.914 4.218 1.00 0.00 C ATOM 342 CG MET A 27 2.351 -4.708 5.061 1.00 0.00 C ATOM 343 SD MET A 27 0.975 -4.079 6.040 1.00 0.00 S ATOM 344 CE MET A 27 0.367 -2.776 4.972 1.00 0.00 C ATOM 0 H MET A 27 1.771 -6.949 1.457 1.00 0.00 H new ATOM 0 HA MET A 27 0.265 -5.124 3.171 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.333 -6.574 4.810 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.869 -6.475 3.971 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.170 -4.980 5.726 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.720 -3.916 4.409 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.408 -1.824 5.501 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.986 -2.721 4.077 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.663 -2.989 4.688 1.00 0.00 H new ATOM 354 N LEU A 28 1.381 -3.411 1.787 1.00 0.00 N ATOM 355 CA LEU A 28 2.033 -2.339 1.043 1.00 0.00 C ATOM 356 C LEU A 28 1.853 -0.999 1.750 1.00 0.00 C ATOM 357 O LEU A 28 0.729 -0.541 1.957 1.00 0.00 O ATOM 358 CB LEU A 28 1.469 -2.259 -0.376 1.00 0.00 C ATOM 359 CG LEU A 28 1.839 -3.412 -1.311 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.802 -3.559 -2.413 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.223 -3.193 -1.904 1.00 0.00 C ATOM 0 H LEU A 28 0.397 -3.243 1.994 1.00 0.00 H new ATOM 0 HA LEU A 28 3.099 -2.562 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.382 -2.205 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.808 -1.327 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 28 1.856 -4.335 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.082 -4.384 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.173 -3.762 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.753 -2.637 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.470 -4.022 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.233 -2.261 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.958 -3.138 -1.101 1.00 0.00 H new ATOM 373 N TRP A 29 2.967 -0.375 2.115 1.00 0.00 N ATOM 374 CA TRP A 29 2.932 0.914 2.797 1.00 0.00 C ATOM 375 C TRP A 29 3.811 1.933 2.080 1.00 0.00 C ATOM 376 O TRP A 29 4.689 1.567 1.298 1.00 0.00 O ATOM 377 CB TRP A 29 3.389 0.760 4.248 1.00 0.00 C ATOM 378 CG TRP A 29 4.864 0.526 4.385 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.494 -0.679 4.507 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.890 1.523 4.415 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.851 -0.491 4.611 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.120 0.851 4.557 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.891 2.918 4.335 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.335 1.528 4.621 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.097 3.589 4.398 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.306 2.893 4.539 1.00 0.00 C ATOM 0 H TRP A 29 3.905 -0.740 1.950 1.00 0.00 H new ATOM 0 HA TRP A 29 1.904 1.275 2.784 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.118 1.657 4.804 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.852 -0.072 4.704 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.999 -1.639 4.520 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.546 -1.231 4.712 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.965 3.462 4.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.267 0.994 4.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.109 4.667 4.338 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.233 3.446 4.584 1.00 0.00 H new ATOM 397 N CYS A 30 3.570 3.211 2.351 1.00 0.00 N ATOM 398 CA CYS A 30 4.340 4.283 1.730 1.00 0.00 C ATOM 399 C CYS A 30 4.158 5.593 2.490 1.00 0.00 C ATOM 400 O CYS A 30 3.054 5.922 2.922 1.00 0.00 O ATOM 401 CB CYS A 30 3.919 4.462 0.271 1.00 0.00 C ATOM 402 SG CYS A 30 2.136 4.646 0.034 1.00 0.00 S ATOM 0 H CYS A 30 2.848 3.530 2.997 1.00 0.00 H new ATOM 0 HA CYS A 30 5.394 4.008 1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.421 5.340 -0.136 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.264 3.602 -0.304 1.00 0.00 H new ATOM 0 HG CYS A 30 1.560 3.487 0.156 1.00 0.00 H new ATOM 408 N GLU A 31 5.249 6.336 2.648 1.00 0.00 N ATOM 409 CA GLU A 31 5.209 7.609 3.358 1.00 0.00 C ATOM 410 C GLU A 31 4.984 8.766 2.388 1.00 0.00 C ATOM 411 O GLU A 31 5.143 8.614 1.176 1.00 0.00 O ATOM 412 CB GLU A 31 6.509 7.826 4.135 1.00 0.00 C ATOM 413 CG GLU A 31 6.470 7.278 5.552 1.00 0.00 C ATOM 414 CD GLU A 31 7.704 7.643 6.353 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.818 7.568 5.794 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.556 8.003 7.539 1.00 0.00 O ATOM 0 H GLU A 31 6.170 6.079 2.294 1.00 0.00 H new ATOM 0 HA GLU A 31 4.376 7.578 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.329 7.353 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.726 8.894 4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.585 7.660 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.373 6.193 5.515 1.00 0.00 H new ATOM 423 N LEU A 32 4.612 9.920 2.930 1.00 0.00 N ATOM 424 CA LEU A 32 4.365 11.104 2.114 1.00 0.00 C ATOM 425 C LEU A 32 4.815 12.368 2.837 1.00 0.00 C ATOM 426 O LEU A 32 4.867 12.407 4.067 1.00 0.00 O ATOM 427 CB LEU A 32 2.879 11.204 1.764 1.00 0.00 C ATOM 428 CG LEU A 32 2.204 9.906 1.319 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.722 9.932 1.657 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.410 9.682 -0.172 1.00 0.00 C ATOM 0 H LEU A 32 4.475 10.061 3.931 1.00 0.00 H new ATOM 0 HA LEU A 32 4.944 11.009 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.346 11.587 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.762 11.941 0.970 1.00 0.00 H new ATOM 0 HG LEU A 32 2.663 9.077 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.258 9.000 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.596 10.044 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.247 10.770 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.923 8.754 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.978 10.514 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.477 9.617 -0.386 1.00 0.00 H new ATOM 442 N SER A 33 5.139 13.402 2.067 1.00 0.00 N ATOM 443 CA SER A 33 5.587 14.668 2.634 1.00 0.00 C ATOM 444 C SER A 33 4.538 15.239 3.583 1.00 0.00 C ATOM 445 O SER A 33 4.832 16.112 4.400 1.00 0.00 O ATOM 446 CB SER A 33 5.885 15.674 1.520 1.00 0.00 C ATOM 447 OG SER A 33 6.893 16.588 1.915 1.00 0.00 O ATOM 0 H SER A 33 5.099 13.387 1.048 1.00 0.00 H new ATOM 0 HA SER A 33 6.500 14.482 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.202 15.144 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.976 16.218 1.264 1.00 0.00 H new ATOM 0 HG SER A 33 7.066 17.219 1.186 1.00 0.00 H new ATOM 453 N LYS A 34 3.312 14.739 3.470 1.00 0.00 N ATOM 454 CA LYS A 34 2.218 15.197 4.318 1.00 0.00 C ATOM 455 C LYS A 34 1.063 14.200 4.301 1.00 0.00 C ATOM 456 O LYS A 34 0.891 13.451 3.339 1.00 0.00 O ATOM 457 CB LYS A 34 1.726 16.570 3.854 1.00 0.00 C ATOM 458 CG LYS A 34 0.720 16.505 2.719 1.00 0.00 C ATOM 459 CD LYS A 34 0.476 17.876 2.111 1.00 0.00 C ATOM 460 CE LYS A 34 1.610 18.285 1.184 1.00 0.00 C ATOM 461 NZ LYS A 34 1.624 19.754 0.939 1.00 0.00 N ATOM 0 H LYS A 34 3.051 14.016 2.799 1.00 0.00 H new ATOM 0 HA LYS A 34 2.592 15.277 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.274 17.089 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.582 17.165 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.082 15.824 1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.221 16.097 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.463 17.868 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.371 18.614 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.562 17.980 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.510 17.759 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.411 19.992 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.726 20.041 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.745 20.255 1.842 1.00 0.00 H new ATOM 475 N VAL A 35 0.274 14.198 5.370 1.00 0.00 N ATOM 476 CA VAL A 35 -0.866 13.295 5.477 1.00 0.00 C ATOM 477 C VAL A 35 -1.916 13.607 4.416 1.00 0.00 C ATOM 478 O VAL A 35 -2.664 14.577 4.536 1.00 0.00 O ATOM 479 CB VAL A 35 -1.519 13.377 6.869 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.600 12.317 7.016 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.468 13.232 7.959 1.00 0.00 C ATOM 0 H VAL A 35 0.403 14.812 6.175 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.485 12.286 5.322 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.987 14.356 6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.050 12.391 8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.367 12.471 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.159 11.328 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.947 13.292 8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.030 12.268 7.858 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.267 14.032 7.865 1.00 0.00 H new ATOM 491 N ALA A 36 -1.966 12.779 3.378 1.00 0.00 N ATOM 492 CA ALA A 36 -2.926 12.965 2.297 1.00 0.00 C ATOM 493 C ALA A 36 -3.546 11.637 1.879 1.00 0.00 C ATOM 494 O ALA A 36 -2.957 10.569 2.048 1.00 0.00 O ATOM 495 CB ALA A 36 -2.256 13.636 1.107 1.00 0.00 C ATOM 0 H ALA A 36 -1.352 11.972 3.263 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.726 13.610 2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.984 13.769 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.867 14.608 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.436 13.012 0.751 1.00 0.00 H new ATOM 501 N PRO A 37 -4.763 11.701 1.320 1.00 0.00 N ATOM 502 CA PRO A 37 -5.490 10.511 0.866 1.00 0.00 C ATOM 503 C PRO A 37 -4.851 9.876 -0.365 1.00 0.00 C ATOM 504 O PRO A 37 -4.827 10.472 -1.442 1.00 0.00 O ATOM 505 CB PRO A 37 -6.881 11.053 0.526 1.00 0.00 C ATOM 506 CG PRO A 37 -6.660 12.492 0.209 1.00 0.00 C ATOM 507 CD PRO A 37 -5.524 12.940 1.087 1.00 0.00 C ATOM 0 HA PRO A 37 -5.496 9.725 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.316 10.523 -0.321 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.568 10.933 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.415 12.626 -0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.559 13.077 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.914 13.700 0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.884 13.372 2.021 1.00 0.00 H new ATOM 515 N VAL A 38 -4.333 8.663 -0.198 1.00 0.00 N ATOM 516 CA VAL A 38 -3.695 7.947 -1.295 1.00 0.00 C ATOM 517 C VAL A 38 -4.704 7.091 -2.053 1.00 0.00 C ATOM 518 O VAL A 38 -5.758 6.741 -1.522 1.00 0.00 O ATOM 519 CB VAL A 38 -2.553 7.046 -0.789 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.396 7.890 -0.274 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.058 6.103 0.293 1.00 0.00 C ATOM 0 H VAL A 38 -4.343 8.156 0.687 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.283 8.700 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.191 6.445 -1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.598 7.237 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.019 8.520 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.741 8.518 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.238 5.474 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.447 6.684 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.851 5.475 -0.113 1.00 0.00 H new ATOM 531 N GLU A 39 -4.373 6.757 -3.296 1.00 0.00 N ATOM 532 CA GLU A 39 -5.252 5.942 -4.127 1.00 0.00 C ATOM 533 C GLU A 39 -4.493 4.761 -4.725 1.00 0.00 C ATOM 534 O GLU A 39 -3.736 4.917 -5.683 1.00 0.00 O ATOM 535 CB GLU A 39 -5.863 6.788 -5.246 1.00 0.00 C ATOM 536 CG GLU A 39 -6.407 8.125 -4.769 1.00 0.00 C ATOM 537 CD GLU A 39 -7.862 8.045 -4.348 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.255 7.016 -3.760 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.608 9.013 -4.607 1.00 0.00 O ATOM 0 H GLU A 39 -3.504 7.038 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.052 5.556 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.107 6.965 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.668 6.225 -5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.808 8.478 -3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.303 8.861 -5.566 1.00 0.00 H new ATOM 546 N TRP A 40 -4.702 3.581 -4.153 1.00 0.00 N ATOM 547 CA TRP A 40 -4.037 2.372 -4.628 1.00 0.00 C ATOM 548 C TRP A 40 -4.705 1.846 -5.894 1.00 0.00 C ATOM 549 O TRP A 40 -5.932 1.792 -5.983 1.00 0.00 O ATOM 550 CB TRP A 40 -4.055 1.295 -3.543 1.00 0.00 C ATOM 551 CG TRP A 40 -3.632 1.801 -2.197 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.366 2.575 -1.344 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.375 1.571 -1.551 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.642 2.840 -0.207 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.417 2.234 -0.309 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.219 0.867 -1.899 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.348 2.214 0.582 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.158 0.848 -1.014 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.228 1.517 0.215 1.00 0.00 C ATOM 0 H TRP A 40 -5.326 3.435 -3.360 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.003 2.624 -4.862 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.061 0.882 -3.468 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.396 0.479 -3.840 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.369 2.927 -1.535 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.964 3.397 0.584 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.156 0.347 -2.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.400 2.730 1.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.741 0.308 -1.274 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.618 1.482 0.886 1.00 0.00 H new ATOM 570 N ARG A 41 -3.891 1.460 -6.871 1.00 0.00 N ATOM 571 CA ARG A 41 -4.403 0.939 -8.132 1.00 0.00 C ATOM 572 C ARG A 41 -3.504 -0.172 -8.667 1.00 0.00 C ATOM 573 O ARG A 41 -2.317 -0.232 -8.348 1.00 0.00 O ATOM 574 CB ARG A 41 -4.514 2.062 -9.165 1.00 0.00 C ATOM 575 CG ARG A 41 -5.836 2.811 -9.111 1.00 0.00 C ATOM 576 CD ARG A 41 -5.674 4.259 -9.548 1.00 0.00 C ATOM 577 NE ARG A 41 -6.952 4.867 -9.908 1.00 0.00 N ATOM 578 CZ ARG A 41 -7.060 5.968 -10.644 1.00 0.00 C ATOM 579 NH1 ARG A 41 -5.972 6.577 -11.096 1.00 0.00 N ATOM 580 NH2 ARG A 41 -8.258 6.461 -10.931 1.00 0.00 N ATOM 0 H ARG A 41 -2.873 1.498 -6.813 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.394 0.524 -7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.699 2.769 -9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.385 1.641 -10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.563 2.315 -9.754 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.233 2.778 -8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.214 4.832 -8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.997 4.307 -10.401 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.808 4.422 -9.577 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.049 6.200 -10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.058 7.422 -11.661 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.097 5.995 -10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.340 7.306 -11.496 1.00 0.00 H new ATOM 594 N LYS A 42 -4.079 -1.049 -9.483 1.00 0.00 N ATOM 595 CA LYS A 42 -3.331 -2.158 -10.064 1.00 0.00 C ATOM 596 C LYS A 42 -3.559 -2.238 -11.570 1.00 0.00 C ATOM 597 O LYS A 42 -4.413 -2.988 -12.040 1.00 0.00 O ATOM 598 CB LYS A 42 -3.741 -3.477 -9.405 1.00 0.00 C ATOM 599 CG LYS A 42 -2.859 -4.651 -9.793 1.00 0.00 C ATOM 600 CD LYS A 42 -3.221 -5.903 -9.013 1.00 0.00 C ATOM 601 CE LYS A 42 -2.309 -7.067 -9.371 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.000 -8.378 -9.228 1.00 0.00 N ATOM 0 H LYS A 42 -5.061 -1.013 -9.757 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.270 -1.983 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.715 -3.356 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.772 -3.703 -9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.959 -4.845 -10.861 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.814 -4.398 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.151 -5.700 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.256 -6.174 -9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.958 -6.951 -10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.428 -7.049 -8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.293 -9.134 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.609 -8.359 -8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.582 -8.558 -10.071 1.00 0.00 H new ATOM 616 N GLY A 43 -2.787 -1.459 -12.323 1.00 0.00 N ATOM 617 CA GLY A 43 -2.919 -1.459 -13.768 1.00 0.00 C ATOM 618 C GLY A 43 -4.344 -1.202 -14.220 1.00 0.00 C ATOM 619 O GLY A 43 -4.918 -0.144 -13.963 1.00 0.00 O ATOM 0 H GLY A 43 -2.073 -0.829 -11.958 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.264 -0.696 -14.190 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.584 -2.419 -14.160 1.00 0.00 H new ATOM 623 N PRO A 44 -4.936 -2.187 -14.911 1.00 0.00 N ATOM 624 CA PRO A 44 -6.309 -2.086 -15.415 1.00 0.00 C ATOM 625 C PRO A 44 -7.342 -2.119 -14.293 1.00 0.00 C ATOM 626 O PRO A 44 -8.497 -1.746 -14.492 1.00 0.00 O ATOM 627 CB PRO A 44 -6.450 -3.321 -16.308 1.00 0.00 C ATOM 628 CG PRO A 44 -5.462 -4.296 -15.767 1.00 0.00 C ATOM 629 CD PRO A 44 -4.311 -3.476 -15.253 1.00 0.00 C ATOM 0 HA PRO A 44 -6.484 -1.144 -15.935 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.463 -3.722 -16.271 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.240 -3.082 -17.350 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.901 -4.895 -14.969 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.133 -4.989 -16.542 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.844 -3.939 -14.384 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.533 -3.358 -16.008 1.00 0.00 H new ATOM 637 N GLU A 45 -6.917 -2.567 -13.116 1.00 0.00 N ATOM 638 CA GLU A 45 -7.807 -2.647 -11.964 1.00 0.00 C ATOM 639 C GLU A 45 -7.744 -1.366 -11.137 1.00 0.00 C ATOM 640 O GLU A 45 -6.920 -0.490 -11.393 1.00 0.00 O ATOM 641 CB GLU A 45 -7.439 -3.849 -11.091 1.00 0.00 C ATOM 642 CG GLU A 45 -8.150 -5.131 -11.490 1.00 0.00 C ATOM 643 CD GLU A 45 -8.015 -6.223 -10.446 1.00 0.00 C ATOM 644 OE1 GLU A 45 -6.984 -6.928 -10.454 1.00 0.00 O ATOM 645 OE2 GLU A 45 -8.941 -6.372 -9.622 1.00 0.00 O ATOM 0 H GLU A 45 -5.963 -2.880 -12.935 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.826 -2.771 -12.332 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.362 -4.009 -11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.677 -3.620 -10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.207 -4.920 -11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.745 -5.487 -12.437 1.00 0.00 H new ATOM 652 N ASN A 46 -8.622 -1.266 -10.144 1.00 0.00 N ATOM 653 CA ASN A 46 -8.668 -0.092 -9.280 1.00 0.00 C ATOM 654 C ASN A 46 -8.942 -0.492 -7.833 1.00 0.00 C ATOM 655 O ASN A 46 -10.022 -0.988 -7.509 1.00 0.00 O ATOM 656 CB ASN A 46 -9.744 0.882 -9.764 1.00 0.00 C ATOM 657 CG ASN A 46 -9.821 0.952 -11.277 1.00 0.00 C ATOM 658 OD1 ASN A 46 -9.283 1.871 -11.895 1.00 0.00 O ATOM 659 ND2 ASN A 46 -10.493 -0.021 -11.881 1.00 0.00 N ATOM 0 H ASN A 46 -9.311 -1.983 -9.918 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.696 0.399 -9.325 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.712 0.576 -9.367 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.536 1.876 -9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.579 -0.027 -12.897 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.923 -0.763 -11.329 1.00 0.00 H new ATOM 666 N LEU A 47 -7.958 -0.273 -6.968 1.00 0.00 N ATOM 667 CA LEU A 47 -8.093 -0.610 -5.555 1.00 0.00 C ATOM 668 C LEU A 47 -8.580 0.593 -4.753 1.00 0.00 C ATOM 669 O LEU A 47 -8.437 1.737 -5.182 1.00 0.00 O ATOM 670 CB LEU A 47 -6.755 -1.100 -4.998 1.00 0.00 C ATOM 671 CG LEU A 47 -5.891 -1.923 -5.954 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.555 -2.260 -5.310 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.618 -3.192 -6.372 1.00 0.00 C ATOM 0 H LEU A 47 -7.058 0.136 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.831 -1.407 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.179 -0.233 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.952 -1.700 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.701 -1.326 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.954 -2.846 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.028 -1.339 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.725 -2.837 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.988 -3.765 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.839 -3.792 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.549 -2.929 -6.874 1.00 0.00 H new ATOM 685 N ARG A 48 -9.156 0.324 -3.585 1.00 0.00 N ATOM 686 CA ARG A 48 -9.664 1.384 -2.723 1.00 0.00 C ATOM 687 C ARG A 48 -10.160 0.815 -1.397 1.00 0.00 C ATOM 688 O ARG A 48 -10.402 -0.386 -1.277 1.00 0.00 O ATOM 689 CB ARG A 48 -10.795 2.141 -3.420 1.00 0.00 C ATOM 690 CG ARG A 48 -11.929 1.243 -3.890 1.00 0.00 C ATOM 691 CD ARG A 48 -13.232 2.016 -4.022 1.00 0.00 C ATOM 692 NE ARG A 48 -13.220 2.918 -5.171 1.00 0.00 N ATOM 693 CZ ARG A 48 -14.133 3.860 -5.374 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.126 4.024 -4.511 1.00 0.00 N ATOM 695 NH2 ARG A 48 -14.054 4.642 -6.444 1.00 0.00 N ATOM 0 H ARG A 48 -9.282 -0.618 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.846 2.075 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.195 2.890 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.388 2.677 -4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.669 0.799 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.061 0.422 -3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.061 1.315 -4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.406 2.590 -3.112 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.469 2.819 -5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.190 3.425 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.826 4.749 -4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.292 4.519 -7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.756 5.366 -6.600 1.00 0.00 H new ATOM 709 N ASP A 49 -10.308 1.685 -0.404 1.00 0.00 N ATOM 710 CA ASP A 49 -10.776 1.269 0.913 1.00 0.00 C ATOM 711 C ASP A 49 -12.142 0.598 0.818 1.00 0.00 C ATOM 712 O ASP A 49 -13.166 1.268 0.682 1.00 0.00 O ATOM 713 CB ASP A 49 -10.849 2.472 1.855 1.00 0.00 C ATOM 714 CG ASP A 49 -11.470 3.687 1.195 1.00 0.00 C ATOM 715 OD1 ASP A 49 -12.350 3.506 0.327 1.00 0.00 O ATOM 716 OD2 ASP A 49 -11.078 4.819 1.547 1.00 0.00 O ATOM 0 H ASP A 49 -10.111 2.682 -0.486 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.064 0.547 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.431 2.204 2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.845 2.722 2.199 1.00 0.00 H new ATOM 721 N GLY A 50 -12.151 -0.730 0.889 1.00 0.00 N ATOM 722 CA GLY A 50 -13.397 -1.469 0.808 1.00 0.00 C ATOM 723 C GLY A 50 -13.419 -2.671 1.731 1.00 0.00 C ATOM 724 O GLY A 50 -12.739 -2.687 2.757 1.00 0.00 O ATOM 0 H GLY A 50 -11.317 -1.307 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.226 -0.807 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.553 -1.800 -0.219 1.00 0.00 H new ATOM 728 N ASP A 51 -14.203 -3.680 1.367 1.00 0.00 N ATOM 729 CA ASP A 51 -14.311 -4.892 2.170 1.00 0.00 C ATOM 730 C ASP A 51 -13.062 -5.756 2.022 1.00 0.00 C ATOM 731 O ASP A 51 -12.302 -5.933 2.974 1.00 0.00 O ATOM 732 CB ASP A 51 -15.550 -5.691 1.762 1.00 0.00 C ATOM 733 CG ASP A 51 -15.812 -6.865 2.684 1.00 0.00 C ATOM 734 OD1 ASP A 51 -15.342 -6.828 3.841 1.00 0.00 O ATOM 735 OD2 ASP A 51 -16.487 -7.822 2.250 1.00 0.00 O ATOM 0 H ASP A 51 -14.773 -3.682 0.521 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.405 -4.598 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.419 -5.033 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.424 -6.055 0.742 1.00 0.00 H new ATOM 740 N ARG A 52 -12.859 -6.292 0.824 1.00 0.00 N ATOM 741 CA ARG A 52 -11.704 -7.139 0.552 1.00 0.00 C ATOM 742 C ARG A 52 -10.406 -6.347 0.681 1.00 0.00 C ATOM 743 O ARG A 52 -9.364 -6.897 1.040 1.00 0.00 O ATOM 744 CB ARG A 52 -11.807 -7.744 -0.849 1.00 0.00 C ATOM 745 CG ARG A 52 -11.628 -6.729 -1.966 1.00 0.00 C ATOM 746 CD ARG A 52 -12.267 -7.207 -3.261 1.00 0.00 C ATOM 747 NE ARG A 52 -11.372 -8.070 -4.027 1.00 0.00 N ATOM 748 CZ ARG A 52 -11.525 -8.324 -5.322 1.00 0.00 C ATOM 749 NH1 ARG A 52 -12.534 -7.783 -5.991 1.00 0.00 N ATOM 750 NH2 ARG A 52 -10.669 -9.119 -5.949 1.00 0.00 N ATOM 0 H ARG A 52 -13.479 -6.155 0.026 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.694 -7.943 1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.053 -8.524 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.780 -8.223 -0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.071 -5.778 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.565 -6.549 -2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.186 -7.748 -3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.546 -6.345 -3.867 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.586 -8.502 -3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.194 -7.171 -5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.650 -7.979 -6.985 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.892 -9.536 -5.437 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.788 -9.313 -6.943 1.00 0.00 H new ATOM 764 N TYR A 53 -10.477 -5.054 0.386 1.00 0.00 N ATOM 765 CA TYR A 53 -9.307 -4.186 0.467 1.00 0.00 C ATOM 766 C TYR A 53 -9.303 -3.397 1.772 1.00 0.00 C ATOM 767 O TYR A 53 -10.012 -2.400 1.910 1.00 0.00 O ATOM 768 CB TYR A 53 -9.277 -3.225 -0.723 1.00 0.00 C ATOM 769 CG TYR A 53 -9.165 -3.921 -2.061 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.941 -4.393 -2.520 1.00 0.00 C ATOM 771 CD2 TYR A 53 -10.282 -4.106 -2.866 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.834 -5.029 -3.742 1.00 0.00 C ATOM 773 CE2 TYR A 53 -10.184 -4.742 -4.088 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.958 -5.201 -4.522 1.00 0.00 C ATOM 775 OH TYR A 53 -8.856 -5.834 -5.740 1.00 0.00 O ATOM 0 H TYR A 53 -11.332 -4.583 0.089 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.417 -4.815 0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.183 -2.619 -0.713 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.435 -2.542 -0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.059 -4.260 -1.911 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.243 -3.746 -2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.875 -5.389 -4.084 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.063 -4.879 -4.701 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.739 -5.875 -6.163 1.00 0.00 H new ATOM 785 N ILE A 54 -8.498 -3.851 2.727 1.00 0.00 N ATOM 786 CA ILE A 54 -8.399 -3.188 4.021 1.00 0.00 C ATOM 787 C ILE A 54 -7.363 -2.071 3.988 1.00 0.00 C ATOM 788 O ILE A 54 -6.170 -2.309 4.184 1.00 0.00 O ATOM 789 CB ILE A 54 -8.030 -4.183 5.137 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.060 -5.313 5.205 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.934 -3.466 6.476 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.639 -6.461 6.095 1.00 0.00 C ATOM 0 H ILE A 54 -7.905 -4.675 2.629 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.380 -2.764 4.234 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.057 -4.617 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.006 -4.910 5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.240 -5.691 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.673 -4.183 7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.167 -2.694 6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.894 -3.007 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.416 -7.225 6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.709 -6.890 5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.487 -6.097 7.111 1.00 0.00 H new ATOM 804 N LEU A 55 -7.824 -0.850 3.741 1.00 0.00 N ATOM 805 CA LEU A 55 -6.937 0.307 3.684 1.00 0.00 C ATOM 806 C LEU A 55 -6.940 1.061 5.010 1.00 0.00 C ATOM 807 O LEU A 55 -7.985 1.224 5.640 1.00 0.00 O ATOM 808 CB LEU A 55 -7.359 1.243 2.551 1.00 0.00 C ATOM 809 CG LEU A 55 -7.088 0.743 1.131 1.00 0.00 C ATOM 810 CD1 LEU A 55 -5.709 1.183 0.665 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.217 -0.772 1.066 1.00 0.00 C ATOM 0 H LEU A 55 -8.808 -0.635 3.577 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.925 -0.051 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.427 1.440 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.846 2.196 2.683 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.831 1.180 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.533 0.818 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.652 2.271 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.951 0.775 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.021 -1.111 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.497 -1.228 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.226 -1.064 1.358 1.00 0.00 H new ATOM 823 N ARG A 56 -5.765 1.521 5.426 1.00 0.00 N ATOM 824 CA ARG A 56 -5.633 2.260 6.676 1.00 0.00 C ATOM 825 C ARG A 56 -4.712 3.463 6.502 1.00 0.00 C ATOM 826 O ARG A 56 -4.128 3.660 5.437 1.00 0.00 O ATOM 827 CB ARG A 56 -5.093 1.346 7.778 1.00 0.00 C ATOM 828 CG ARG A 56 -6.003 0.171 8.095 1.00 0.00 C ATOM 829 CD ARG A 56 -5.638 -0.474 9.424 1.00 0.00 C ATOM 830 NE ARG A 56 -6.360 0.130 10.541 1.00 0.00 N ATOM 831 CZ ARG A 56 -5.974 0.025 11.807 1.00 0.00 C ATOM 832 NH1 ARG A 56 -4.879 -0.655 12.116 1.00 0.00 N ATOM 833 NH2 ARG A 56 -6.684 0.603 12.768 1.00 0.00 N ATOM 0 H ARG A 56 -4.891 1.395 4.916 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.621 2.620 6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.116 0.967 7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.943 1.933 8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.039 0.509 8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.933 -0.570 7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.860 -1.540 9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.565 -0.378 9.591 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.207 0.661 10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.330 -1.100 11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.585 -0.734 13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.527 1.128 12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.387 0.522 13.740 1.00 0.00 H new ATOM 847 N GLN A 57 -4.587 4.265 7.555 1.00 0.00 N ATOM 848 CA GLN A 57 -3.738 5.449 7.517 1.00 0.00 C ATOM 849 C GLN A 57 -3.583 6.053 8.909 1.00 0.00 C ATOM 850 O GLN A 57 -4.558 6.494 9.516 1.00 0.00 O ATOM 851 CB GLN A 57 -4.321 6.490 6.560 1.00 0.00 C ATOM 852 CG GLN A 57 -3.313 7.535 6.110 1.00 0.00 C ATOM 853 CD GLN A 57 -3.864 8.452 5.035 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.075 8.524 4.825 1.00 0.00 O ATOM 855 NE2 GLN A 57 -2.974 9.160 4.348 1.00 0.00 N ATOM 0 H GLN A 57 -5.063 4.116 8.445 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.753 5.147 7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.721 5.981 5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.158 6.991 7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.006 8.132 6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.421 7.035 5.734 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.980 9.069 4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.285 9.795 3.613 1.00 0.00 H new ATOM 864 N GLU A 58 -2.351 6.067 9.409 1.00 0.00 N ATOM 865 CA GLU A 58 -2.070 6.616 10.730 1.00 0.00 C ATOM 866 C GLU A 58 -1.183 7.853 10.628 1.00 0.00 C ATOM 867 O GLU A 58 -0.524 8.240 11.593 1.00 0.00 O ATOM 868 CB GLU A 58 -1.395 5.562 11.611 1.00 0.00 C ATOM 869 CG GLU A 58 -2.217 4.296 11.784 1.00 0.00 C ATOM 870 CD GLU A 58 -3.278 4.432 12.859 1.00 0.00 C ATOM 871 OE1 GLU A 58 -4.297 5.106 12.605 1.00 0.00 O ATOM 872 OE2 GLU A 58 -3.087 3.863 13.955 1.00 0.00 O ATOM 0 H GLU A 58 -1.533 5.705 8.920 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.018 6.906 11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.430 5.302 11.177 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.197 5.994 12.592 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.695 4.045 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.554 3.468 12.036 1.00 0.00 H new ATOM 879 N GLY A 59 -1.171 8.470 9.450 1.00 0.00 N ATOM 880 CA GLY A 59 -0.361 9.657 9.243 1.00 0.00 C ATOM 881 C GLY A 59 0.235 9.715 7.850 1.00 0.00 C ATOM 882 O GLY A 59 -0.304 9.129 6.910 1.00 0.00 O ATOM 0 H GLY A 59 -1.707 8.169 8.636 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.972 10.544 9.411 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.442 9.679 9.980 1.00 0.00 H new ATOM 886 N THR A 60 1.350 10.427 7.715 1.00 0.00 N ATOM 887 CA THR A 60 2.018 10.563 6.427 1.00 0.00 C ATOM 888 C THR A 60 2.219 9.204 5.766 1.00 0.00 C ATOM 889 O THR A 60 2.407 9.115 4.552 1.00 0.00 O ATOM 890 CB THR A 60 3.385 11.257 6.574 1.00 0.00 C ATOM 891 OG1 THR A 60 4.140 10.636 7.620 1.00 0.00 O ATOM 892 CG2 THR A 60 3.210 12.738 6.877 1.00 0.00 C ATOM 0 H THR A 60 1.809 10.918 8.482 1.00 0.00 H new ATOM 0 HA THR A 60 1.373 11.177 5.799 1.00 0.00 H new ATOM 0 HB THR A 60 3.922 11.157 5.631 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.008 11.082 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.189 13.207 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.661 13.213 6.064 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.655 12.856 7.808 1.00 0.00 H new ATOM 900 N ARG A 61 2.179 8.147 6.571 1.00 0.00 N ATOM 901 CA ARG A 61 2.357 6.793 6.063 1.00 0.00 C ATOM 902 C ARG A 61 1.015 6.078 5.935 1.00 0.00 C ATOM 903 O ARG A 61 0.119 6.268 6.759 1.00 0.00 O ATOM 904 CB ARG A 61 3.284 5.998 6.985 1.00 0.00 C ATOM 905 CG ARG A 61 3.125 4.492 6.858 1.00 0.00 C ATOM 906 CD ARG A 61 2.035 3.967 7.780 1.00 0.00 C ATOM 907 NE ARG A 61 2.523 3.759 9.141 1.00 0.00 N ATOM 908 CZ ARG A 61 2.409 4.662 10.108 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.826 5.828 9.867 1.00 0.00 N ATOM 910 NH2 ARG A 61 2.878 4.399 11.322 1.00 0.00 N ATOM 0 H ARG A 61 2.025 8.203 7.578 1.00 0.00 H new ATOM 0 HA ARG A 61 2.809 6.860 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.318 6.265 6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.092 6.289 8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.885 4.236 5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.070 4.004 7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.204 4.672 7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.648 3.027 7.386 1.00 0.00 H new ATOM 0 HE ARG A 61 2.976 2.872 9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.463 6.034 8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.740 6.519 10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.326 3.503 11.512 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.790 5.093 12.064 1.00 0.00 H new ATOM 924 N CYS A 62 0.884 5.258 4.899 1.00 0.00 N ATOM 925 CA CYS A 62 -0.350 4.516 4.662 1.00 0.00 C ATOM 926 C CYS A 62 -0.104 3.013 4.742 1.00 0.00 C ATOM 927 O CYS A 62 1.037 2.567 4.848 1.00 0.00 O ATOM 928 CB CYS A 62 -0.933 4.878 3.295 1.00 0.00 C ATOM 929 SG CYS A 62 -1.043 6.657 2.987 1.00 0.00 S ATOM 0 H CYS A 62 1.616 5.090 4.209 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.065 4.791 5.438 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.319 4.423 2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.929 4.443 3.210 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.291 7.021 2.987 1.00 0.00 H new ATOM 935 N GLU A 63 -1.184 2.239 4.692 1.00 0.00 N ATOM 936 CA GLU A 63 -1.084 0.786 4.761 1.00 0.00 C ATOM 937 C GLU A 63 -2.212 0.125 3.973 1.00 0.00 C ATOM 938 O GLU A 63 -3.391 0.328 4.266 1.00 0.00 O ATOM 939 CB GLU A 63 -1.124 0.319 6.218 1.00 0.00 C ATOM 940 CG GLU A 63 0.200 0.481 6.945 1.00 0.00 C ATOM 941 CD GLU A 63 0.241 -0.275 8.259 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.361 0.210 9.240 1.00 0.00 O ATOM 943 OE2 GLU A 63 0.874 -1.350 8.307 1.00 0.00 O ATOM 0 H GLU A 63 -2.136 2.593 4.604 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.133 0.491 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.892 0.881 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.419 -0.730 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.008 0.130 6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.379 1.539 7.133 1.00 0.00 H new ATOM 950 N LEU A 64 -1.841 -0.665 2.972 1.00 0.00 N ATOM 951 CA LEU A 64 -2.820 -1.356 2.140 1.00 0.00 C ATOM 952 C LEU A 64 -2.787 -2.859 2.394 1.00 0.00 C ATOM 953 O LEU A 64 -1.719 -3.471 2.410 1.00 0.00 O ATOM 954 CB LEU A 64 -2.553 -1.071 0.661 1.00 0.00 C ATOM 955 CG LEU A 64 -2.957 -2.174 -0.319 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.470 -2.315 -0.371 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.398 -1.887 -1.705 1.00 0.00 C ATOM 0 H LEU A 64 -0.870 -0.843 2.717 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.810 -0.984 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.081 -0.158 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.488 -0.874 0.536 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.537 -3.117 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.738 -3.104 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.846 -2.568 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.912 -1.374 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.695 -2.682 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.788 -0.935 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.310 -1.839 -1.656 1.00 0.00 H new ATOM 969 N GLN A 65 -3.962 -3.447 2.591 1.00 0.00 N ATOM 970 CA GLN A 65 -4.067 -4.880 2.842 1.00 0.00 C ATOM 971 C GLN A 65 -5.064 -5.529 1.888 1.00 0.00 C ATOM 972 O GLN A 65 -6.227 -5.130 1.824 1.00 0.00 O ATOM 973 CB GLN A 65 -4.488 -5.135 4.290 1.00 0.00 C ATOM 974 CG GLN A 65 -3.317 -5.272 5.250 1.00 0.00 C ATOM 975 CD GLN A 65 -3.712 -5.023 6.692 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.378 -4.035 7.004 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.303 -5.919 7.582 1.00 0.00 N ATOM 0 H GLN A 65 -4.855 -2.954 2.582 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.087 -5.326 2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.126 -4.317 4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.088 -6.044 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.894 -6.273 5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.534 -4.569 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.753 -6.723 7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.539 -5.803 8.568 1.00 0.00 H new ATOM 986 N ILE A 66 -4.601 -6.531 1.148 1.00 0.00 N ATOM 987 CA ILE A 66 -5.452 -7.236 0.198 1.00 0.00 C ATOM 988 C ILE A 66 -5.904 -8.581 0.757 1.00 0.00 C ATOM 989 O ILE A 66 -5.227 -9.595 0.584 1.00 0.00 O ATOM 990 CB ILE A 66 -4.730 -7.466 -1.142 1.00 0.00 C ATOM 991 CG1 ILE A 66 -4.162 -6.148 -1.674 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.679 -8.087 -2.156 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.921 -6.322 -2.520 1.00 0.00 C ATOM 0 H ILE A 66 -3.641 -6.873 1.188 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.324 -6.605 0.027 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.903 -8.156 -0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.927 -5.645 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.929 -5.496 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.153 -8.243 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.039 -9.044 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.525 -7.419 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.574 -5.347 -2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.140 -6.797 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.153 -6.948 -3.382 1.00 0.00 H new ATOM 1005 N CYS A 67 -7.051 -8.582 1.426 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.595 -9.803 2.010 1.00 0.00 C ATOM 1007 C CYS A 67 -7.866 -10.847 0.932 1.00 0.00 C ATOM 1008 O CYS A 67 -8.679 -10.631 0.034 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.883 -9.497 2.776 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.192 -10.605 4.172 1.00 0.00 S ATOM 0 H CYS A 67 -7.623 -7.751 1.578 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.856 -10.206 2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.840 -8.471 3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.725 -9.554 2.087 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.302 -10.266 4.758 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.177 -11.981 1.026 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.356 -13.041 0.052 1.00 0.00 C ATOM 1018 C GLY A 68 -6.392 -12.928 -1.112 1.00 0.00 C ATOM 1019 O GLY A 68 -6.746 -12.414 -2.174 1.00 0.00 O ATOM 0 H GLY A 68 -6.498 -12.184 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.219 -14.006 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.379 -13.016 -0.324 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.169 -13.407 -0.914 1.00 0.00 N ATOM 1024 CA LEU A 69 -4.149 -13.355 -1.955 1.00 0.00 C ATOM 1025 C LEU A 69 -4.287 -14.536 -2.911 1.00 0.00 C ATOM 1026 O LEU A 69 -5.034 -15.478 -2.646 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.753 -13.352 -1.330 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.279 -12.017 -0.754 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -1.027 -12.213 0.087 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -2.022 -11.015 -1.871 1.00 0.00 C ATOM 0 H LEU A 69 -4.860 -13.836 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.289 -12.434 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.731 -14.097 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.037 -13.673 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.065 -11.621 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.704 -11.252 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.244 -12.895 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.234 -12.632 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.685 -10.071 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.254 -11.404 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.942 -10.851 -2.432 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.561 -14.479 -4.023 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.599 -15.545 -5.016 1.00 0.00 C ATOM 1044 C ALA A 70 -2.568 -15.309 -6.114 1.00 0.00 C ATOM 1045 O ALA A 70 -2.127 -14.181 -6.333 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.993 -15.659 -5.614 1.00 0.00 C ATOM 0 H ALA A 70 -2.939 -13.705 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.352 -16.482 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.007 -16.459 -6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.710 -15.882 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.262 -14.717 -6.093 1.00 0.00 H new ATOM 1052 N MET A 71 -2.186 -16.381 -6.801 1.00 0.00 N ATOM 1053 CA MET A 71 -1.206 -16.290 -7.877 1.00 0.00 C ATOM 1054 C MET A 71 -1.469 -15.066 -8.749 1.00 0.00 C ATOM 1055 O MET A 71 -0.536 -14.433 -9.243 1.00 0.00 O ATOM 1056 CB MET A 71 -1.238 -17.557 -8.734 1.00 0.00 C ATOM 1057 CG MET A 71 -0.881 -18.819 -7.965 1.00 0.00 C ATOM 1058 SD MET A 71 0.885 -19.177 -7.999 1.00 0.00 S ATOM 1059 CE MET A 71 1.450 -18.225 -6.590 1.00 0.00 C ATOM 0 H MET A 71 -2.540 -17.322 -6.632 1.00 0.00 H new ATOM 0 HA MET A 71 -0.218 -16.189 -7.427 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.234 -17.671 -9.162 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.545 -17.440 -9.567 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.206 -18.713 -6.930 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.427 -19.663 -8.386 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.191 -18.801 -6.036 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.899 -17.294 -6.936 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.604 -18.001 -5.940 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.743 -14.739 -8.934 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.128 -13.590 -9.745 1.00 0.00 C ATOM 1071 C ALA A 72 -2.655 -12.287 -9.109 1.00 0.00 C ATOM 1072 O ALA A 72 -2.057 -11.442 -9.775 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.636 -13.566 -9.945 1.00 0.00 C ATOM 0 H ALA A 72 -3.527 -15.254 -8.533 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.646 -13.685 -10.718 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.909 -12.703 -10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.951 -14.479 -10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.131 -13.499 -8.976 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.928 -12.132 -7.818 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.530 -10.931 -7.093 1.00 0.00 C ATOM 1081 C ASP A 73 -1.133 -10.481 -7.510 1.00 0.00 C ATOM 1082 O ASP A 73 -0.872 -9.287 -7.653 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.567 -11.185 -5.585 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.978 -11.173 -5.031 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.562 -10.075 -4.917 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.499 -12.262 -4.711 1.00 0.00 O ATOM 0 H ASP A 73 -3.423 -12.822 -7.253 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.236 -10.138 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.103 -12.148 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.974 -10.425 -5.077 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.240 -11.445 -7.705 1.00 0.00 N ATOM 1092 CA ALA A 74 1.129 -11.148 -8.107 1.00 0.00 C ATOM 1093 C ALA A 74 1.158 -10.314 -9.383 1.00 0.00 C ATOM 1094 O ALA A 74 0.844 -10.807 -10.466 1.00 0.00 O ATOM 1095 CB ALA A 74 1.914 -12.437 -8.299 1.00 0.00 C ATOM 0 H ALA A 74 -0.440 -12.439 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 74 1.596 -10.566 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.935 -12.200 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.931 -12.995 -7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.439 -13.040 -9.073 1.00 0.00 H new ATOM 1101 N GLY A 75 1.536 -9.046 -9.248 1.00 0.00 N ATOM 1102 CA GLY A 75 1.597 -8.164 -10.399 1.00 0.00 C ATOM 1103 C GLY A 75 2.365 -6.889 -10.111 1.00 0.00 C ATOM 1104 O GLY A 75 3.532 -6.934 -9.724 1.00 0.00 O ATOM 0 H GLY A 75 1.801 -8.614 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.068 -8.688 -11.230 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.584 -7.912 -10.714 1.00 0.00 H new ATOM 1108 N GLU A 76 1.709 -5.749 -10.303 1.00 0.00 N ATOM 1109 CA GLU A 76 2.340 -4.456 -10.064 1.00 0.00 C ATOM 1110 C GLU A 76 1.334 -3.456 -9.500 1.00 0.00 C ATOM 1111 O GLU A 76 0.425 -3.011 -10.201 1.00 0.00 O ATOM 1112 CB GLU A 76 2.945 -3.911 -11.359 1.00 0.00 C ATOM 1113 CG GLU A 76 3.272 -2.429 -11.302 1.00 0.00 C ATOM 1114 CD GLU A 76 3.707 -1.875 -12.645 1.00 0.00 C ATOM 1115 OE1 GLU A 76 2.924 -1.983 -13.612 1.00 0.00 O ATOM 1116 OE2 GLU A 76 4.829 -1.334 -12.730 1.00 0.00 O ATOM 0 H GLU A 76 0.742 -5.694 -10.623 1.00 0.00 H new ATOM 0 HA GLU A 76 3.135 -4.599 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.855 -4.467 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.249 -4.089 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.397 -1.881 -10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.064 -2.263 -10.571 1.00 0.00 H new ATOM 1123 N TYR A 77 1.504 -3.108 -8.229 1.00 0.00 N ATOM 1124 CA TYR A 77 0.611 -2.164 -7.569 1.00 0.00 C ATOM 1125 C TYR A 77 1.173 -0.747 -7.631 1.00 0.00 C ATOM 1126 O TYR A 77 2.389 -0.550 -7.654 1.00 0.00 O ATOM 1127 CB TYR A 77 0.388 -2.573 -6.113 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.322 -3.899 -5.958 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.300 -5.089 -6.317 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.615 -3.963 -5.454 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.345 -6.302 -6.178 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.267 -5.172 -5.310 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.628 -6.339 -5.674 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.275 -7.546 -5.534 1.00 0.00 O ATOM 0 H TYR A 77 2.252 -3.466 -7.636 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.344 -2.179 -8.094 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.352 -2.626 -5.607 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.193 -1.799 -5.612 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.305 -5.065 -6.711 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.119 -3.051 -5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.153 -7.217 -6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.272 -5.204 -4.915 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.905 -8.191 -6.172 1.00 0.00 H new ATOM 1144 N LEU A 78 0.281 0.236 -7.658 1.00 0.00 N ATOM 1145 CA LEU A 78 0.686 1.636 -7.716 1.00 0.00 C ATOM 1146 C LEU A 78 -0.045 2.459 -6.660 1.00 0.00 C ATOM 1147 O LEU A 78 -1.191 2.167 -6.315 1.00 0.00 O ATOM 1148 CB LEU A 78 0.412 2.210 -9.107 1.00 0.00 C ATOM 1149 CG LEU A 78 1.351 1.746 -10.221 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.844 0.454 -10.843 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.496 2.828 -11.281 1.00 0.00 C ATOM 0 H LEU A 78 -0.728 0.090 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 78 1.756 1.687 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.609 1.953 -9.389 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.462 3.297 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 78 2.333 1.556 -9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.525 0.139 -11.634 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.792 -0.322 -10.079 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.149 0.617 -11.263 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.168 2.481 -12.066 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.519 3.049 -11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.905 3.730 -10.826 1.00 0.00 H new ATOM 1163 N CYS A 79 0.622 3.490 -6.154 1.00 0.00 N ATOM 1164 CA CYS A 79 0.035 4.357 -5.139 1.00 0.00 C ATOM 1165 C CYS A 79 0.068 5.816 -5.584 1.00 0.00 C ATOM 1166 O CYS A 79 1.123 6.449 -5.596 1.00 0.00 O ATOM 1167 CB CYS A 79 0.778 4.200 -3.812 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.174 4.721 -2.366 1.00 0.00 S ATOM 0 H CYS A 79 1.570 3.746 -6.430 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.005 4.061 -5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.063 3.155 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.701 4.779 -3.854 1.00 0.00 H new ATOM 0 HG CYS A 79 0.527 4.521 -1.290 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.096 6.343 -5.952 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.201 7.727 -6.399 1.00 0.00 C ATOM 1176 C VAL A 80 -1.579 8.650 -5.246 1.00 0.00 C ATOM 1177 O VAL A 80 -2.502 8.362 -4.484 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.242 7.876 -7.524 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.065 9.204 -8.243 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.141 6.714 -8.500 1.00 0.00 C ATOM 0 H VAL A 80 -1.979 5.832 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.221 8.011 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.237 7.861 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.809 9.291 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.192 10.022 -7.534 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.066 9.252 -8.677 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.884 6.835 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.144 6.694 -8.941 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.323 5.778 -7.972 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.859 9.760 -5.124 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.119 10.727 -4.063 1.00 0.00 C ATOM 1192 C CYS A 81 -0.997 12.154 -4.586 1.00 0.00 C ATOM 1193 O CYS A 81 0.100 12.626 -4.883 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.149 10.512 -2.900 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.681 11.266 -1.346 1.00 0.00 S ATOM 0 H CYS A 81 -0.091 10.013 -5.746 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.139 10.576 -3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.016 9.441 -2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.825 10.918 -3.174 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.709 10.621 -0.880 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.132 12.837 -4.698 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.130 14.204 -5.187 1.00 0.00 C ATOM 1203 C GLY A 82 -1.811 14.289 -6.666 1.00 0.00 C ATOM 1204 O GLY A 82 -2.701 14.169 -7.508 1.00 0.00 O ATOM 0 H GLY A 82 -3.053 12.469 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.105 14.654 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.399 14.786 -4.626 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.537 14.499 -6.984 1.00 0.00 N ATOM 1209 CA GLN A 83 -0.104 14.604 -8.372 1.00 0.00 C ATOM 1210 C GLN A 83 0.956 13.555 -8.692 1.00 0.00 C ATOM 1211 O GLN A 83 1.092 13.125 -9.837 1.00 0.00 O ATOM 1212 CB GLN A 83 0.446 16.003 -8.653 1.00 0.00 C ATOM 1213 CG GLN A 83 0.427 16.380 -10.126 1.00 0.00 C ATOM 1214 CD GLN A 83 0.283 17.873 -10.344 1.00 0.00 C ATOM 1215 OE1 GLN A 83 0.918 18.676 -9.661 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -0.556 18.254 -11.301 1.00 0.00 N ATOM 0 H GLN A 83 0.212 14.600 -6.299 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.970 14.427 -9.010 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.138 16.733 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.470 16.062 -8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.347 16.035 -10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.397 15.864 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.062 17.554 -11.844 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.694 19.246 -11.493 1.00 0.00 H new ATOM 1225 N GLU A 84 1.705 13.147 -7.672 1.00 0.00 N ATOM 1226 CA GLU A 84 2.753 12.149 -7.846 1.00 0.00 C ATOM 1227 C GLU A 84 2.173 10.738 -7.808 1.00 0.00 C ATOM 1228 O GLU A 84 0.963 10.556 -7.674 1.00 0.00 O ATOM 1229 CB GLU A 84 3.820 12.303 -6.760 1.00 0.00 C ATOM 1230 CG GLU A 84 4.689 13.538 -6.930 1.00 0.00 C ATOM 1231 CD GLU A 84 5.131 13.746 -8.366 1.00 0.00 C ATOM 1232 OE1 GLU A 84 5.957 12.945 -8.853 1.00 0.00 O ATOM 1233 OE2 GLU A 84 4.653 14.708 -9.001 1.00 0.00 O ATOM 0 H GLU A 84 1.605 13.492 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 84 3.212 12.308 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.332 12.344 -5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.457 11.418 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.137 14.415 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.568 13.450 -6.292 1.00 0.00 H new ATOM 1240 N ARG A 85 3.045 9.742 -7.926 1.00 0.00 N ATOM 1241 CA ARG A 85 2.621 8.348 -7.907 1.00 0.00 C ATOM 1242 C ARG A 85 3.825 7.412 -7.936 1.00 0.00 C ATOM 1243 O ARG A 85 4.917 7.799 -8.355 1.00 0.00 O ATOM 1244 CB ARG A 85 1.705 8.055 -9.098 1.00 0.00 C ATOM 1245 CG ARG A 85 2.346 8.346 -10.445 1.00 0.00 C ATOM 1246 CD ARG A 85 1.570 7.700 -11.582 1.00 0.00 C ATOM 1247 NE ARG A 85 2.111 8.064 -12.889 1.00 0.00 N ATOM 1248 CZ ARG A 85 1.842 9.211 -13.502 1.00 0.00 C ATOM 1249 NH1 ARG A 85 1.044 10.101 -12.930 1.00 0.00 N ATOM 1250 NH2 ARG A 85 2.372 9.469 -14.691 1.00 0.00 N ATOM 0 H ARG A 85 4.050 9.875 -8.036 1.00 0.00 H new ATOM 0 HA ARG A 85 2.071 8.175 -6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.406 7.007 -9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.796 8.649 -9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.393 9.424 -10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.372 7.978 -10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.595 6.616 -11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.524 8.003 -11.525 1.00 0.00 H new ATOM 0 HE ARG A 85 2.729 7.401 -13.357 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.634 9.906 -12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.839 10.981 -13.403 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.986 8.786 -15.135 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.165 10.350 -15.161 1.00 0.00 H new ATOM 1264 N THR A 86 3.620 6.177 -7.488 1.00 0.00 N ATOM 1265 CA THR A 86 4.689 5.186 -7.461 1.00 0.00 C ATOM 1266 C THR A 86 4.167 3.804 -7.836 1.00 0.00 C ATOM 1267 O THR A 86 2.962 3.608 -7.998 1.00 0.00 O ATOM 1268 CB THR A 86 5.352 5.113 -6.073 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.220 3.977 -6.004 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.302 5.023 -4.976 1.00 0.00 C ATOM 0 H THR A 86 2.723 5.839 -7.139 1.00 0.00 H new ATOM 0 HA THR A 86 5.432 5.502 -8.194 1.00 0.00 H new ATOM 0 HB THR A 86 5.933 6.023 -5.924 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.960 4.167 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.794 4.972 -4.005 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.661 5.904 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.698 4.128 -5.123 1.00 0.00 H new ATOM 1278 N SER A 87 5.080 2.848 -7.971 1.00 0.00 N ATOM 1279 CA SER A 87 4.712 1.484 -8.330 1.00 0.00 C ATOM 1280 C SER A 87 5.660 0.477 -7.685 1.00 0.00 C ATOM 1281 O SER A 87 6.812 0.794 -7.391 1.00 0.00 O ATOM 1282 CB SER A 87 4.725 1.312 -9.850 1.00 0.00 C ATOM 1283 OG SER A 87 6.051 1.259 -10.346 1.00 0.00 O ATOM 0 H SER A 87 6.081 2.993 -7.837 1.00 0.00 H new ATOM 0 HA SER A 87 3.704 1.297 -7.959 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.196 0.398 -10.120 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.191 2.140 -10.317 1.00 0.00 H new ATOM 0 HG SER A 87 6.032 1.147 -11.319 1.00 0.00 H new ATOM 1289 N ALA A 88 5.166 -0.737 -7.469 1.00 0.00 N ATOM 1290 CA ALA A 88 5.968 -1.791 -6.861 1.00 0.00 C ATOM 1291 C ALA A 88 5.560 -3.164 -7.385 1.00 0.00 C ATOM 1292 O ALA A 88 4.539 -3.304 -8.060 1.00 0.00 O ATOM 1293 CB ALA A 88 5.841 -1.744 -5.346 1.00 0.00 C ATOM 0 H ALA A 88 4.214 -1.015 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 88 7.010 -1.622 -7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.445 -2.537 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.189 -0.777 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.797 -1.884 -5.064 1.00 0.00 H new ATOM 1299 N THR A 89 6.363 -4.175 -7.072 1.00 0.00 N ATOM 1300 CA THR A 89 6.087 -5.536 -7.513 1.00 0.00 C ATOM 1301 C THR A 89 5.849 -6.462 -6.326 1.00 0.00 C ATOM 1302 O THR A 89 6.611 -6.455 -5.358 1.00 0.00 O ATOM 1303 CB THR A 89 7.242 -6.097 -8.364 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.536 -5.202 -9.442 1.00 0.00 O ATOM 1305 CG2 THR A 89 6.889 -7.469 -8.919 1.00 0.00 C ATOM 0 H THR A 89 7.211 -4.077 -6.514 1.00 0.00 H new ATOM 0 HA THR A 89 5.185 -5.493 -8.123 1.00 0.00 H new ATOM 0 HB THR A 89 8.120 -6.196 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.272 -5.565 -9.977 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.720 -7.845 -9.516 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.695 -8.156 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.999 -7.391 -9.544 1.00 0.00 H new ATOM 1313 N LEU A 90 4.789 -7.258 -6.405 1.00 0.00 N ATOM 1314 CA LEU A 90 4.452 -8.192 -5.335 1.00 0.00 C ATOM 1315 C LEU A 90 4.691 -9.633 -5.775 1.00 0.00 C ATOM 1316 O LEU A 90 4.557 -9.965 -6.953 1.00 0.00 O ATOM 1317 CB LEU A 90 2.992 -8.010 -4.915 1.00 0.00 C ATOM 1318 CG LEU A 90 2.457 -9.016 -3.895 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.168 -8.852 -2.561 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.954 -8.854 -3.724 1.00 0.00 C ATOM 0 H LEU A 90 4.148 -7.276 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 90 5.098 -7.980 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.876 -7.008 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.369 -8.062 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 90 2.654 -10.021 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.774 -9.576 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.237 -9.019 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.003 -7.843 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.591 -9.578 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.734 -7.845 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.459 -9.023 -4.680 1.00 0.00 H new ATOM 1332 N THR A 91 5.044 -10.486 -4.819 1.00 0.00 N ATOM 1333 CA THR A 91 5.300 -11.892 -5.106 1.00 0.00 C ATOM 1334 C THR A 91 4.383 -12.796 -4.291 1.00 0.00 C ATOM 1335 O THR A 91 4.212 -12.600 -3.087 1.00 0.00 O ATOM 1336 CB THR A 91 6.765 -12.267 -4.812 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.631 -11.646 -5.768 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.956 -13.776 -4.852 1.00 0.00 C ATOM 0 H THR A 91 5.159 -10.228 -3.839 1.00 0.00 H new ATOM 0 HA THR A 91 5.100 -12.039 -6.167 1.00 0.00 H new ATOM 0 HB THR A 91 7.014 -11.912 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.560 -11.888 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.998 -14.017 -4.641 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.317 -14.244 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.690 -14.150 -5.840 1.00 0.00 H new ATOM 1346 N ILE A 92 3.795 -13.787 -4.954 1.00 0.00 N ATOM 1347 CA ILE A 92 2.896 -14.722 -4.289 1.00 0.00 C ATOM 1348 C ILE A 92 3.500 -16.121 -4.237 1.00 0.00 C ATOM 1349 O ILE A 92 3.947 -16.654 -5.253 1.00 0.00 O ATOM 1350 CB ILE A 92 1.531 -14.791 -4.998 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.941 -13.387 -5.153 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.577 -15.689 -4.225 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.533 -12.755 -3.841 1.00 0.00 C ATOM 0 H ILE A 92 3.925 -13.963 -5.950 1.00 0.00 H new ATOM 0 HA ILE A 92 2.751 -14.353 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 92 1.675 -15.217 -5.991 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.674 -12.746 -5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.072 -13.437 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.383 -15.727 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.995 -16.694 -4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.435 -15.290 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.124 -11.762 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.223 -13.374 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.404 -12.672 -3.191 1.00 0.00 H new ATOM 1365 N ARG A 93 3.508 -16.712 -3.046 1.00 0.00 N ATOM 1366 CA ARG A 93 4.056 -18.050 -2.861 1.00 0.00 C ATOM 1367 C ARG A 93 2.939 -19.078 -2.702 1.00 0.00 C ATOM 1368 O ARG A 93 2.172 -19.031 -1.741 1.00 0.00 O ATOM 1369 CB ARG A 93 4.973 -18.084 -1.637 1.00 0.00 C ATOM 1370 CG ARG A 93 6.357 -17.511 -1.897 1.00 0.00 C ATOM 1371 CD ARG A 93 7.253 -18.518 -2.600 1.00 0.00 C ATOM 1372 NE ARG A 93 8.602 -17.997 -2.809 1.00 0.00 N ATOM 1373 CZ ARG A 93 9.474 -18.533 -3.656 1.00 0.00 C ATOM 1374 NH1 ARG A 93 9.139 -19.598 -4.371 1.00 0.00 N ATOM 1375 NH2 ARG A 93 10.682 -18.002 -3.790 1.00 0.00 N ATOM 0 H ARG A 93 3.141 -16.285 -2.195 1.00 0.00 H new ATOM 0 HA ARG A 93 4.636 -18.304 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.504 -17.526 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.074 -19.115 -1.297 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.271 -16.611 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.813 -17.214 -0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.305 -19.432 -2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.814 -18.785 -3.561 1.00 0.00 H new ATOM 0 HE ARG A 93 8.890 -17.177 -2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.210 -20.008 -4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.810 -20.008 -5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.942 -17.182 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.351 -18.414 -4.440 1.00 0.00 H new ATOM 1389 N ALA A 94 2.855 -20.005 -3.651 1.00 0.00 N ATOM 1390 CA ALA A 94 1.834 -21.044 -3.615 1.00 0.00 C ATOM 1391 C ALA A 94 1.849 -21.783 -2.281 1.00 0.00 C ATOM 1392 O ALA A 94 2.864 -22.361 -1.891 1.00 0.00 O ATOM 1393 CB ALA A 94 2.036 -22.021 -4.764 1.00 0.00 C ATOM 0 H ALA A 94 3.482 -20.057 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 94 0.860 -20.566 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.267 -22.792 -4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.967 -21.487 -5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.019 -22.485 -4.679 1.00 0.00 H new ATOM 1399 N LEU A 95 0.718 -21.759 -1.585 1.00 0.00 N ATOM 1400 CA LEU A 95 0.600 -22.426 -0.293 1.00 0.00 C ATOM 1401 C LEU A 95 1.121 -23.858 -0.370 1.00 0.00 C ATOM 1402 O LEU A 95 1.120 -24.489 -1.427 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.857 -22.426 0.173 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.373 -21.112 0.761 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.892 -21.064 0.707 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -0.882 -20.938 2.191 1.00 0.00 C ATOM 0 H LEU A 95 -0.131 -21.285 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 95 1.205 -21.876 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.488 -22.695 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.978 -23.209 0.922 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.982 -20.289 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.242 -20.122 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.222 -21.142 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.303 -21.894 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.259 -19.998 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.243 -21.765 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.208 -20.927 2.203 1.00 0.00 H new