USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 528 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 52 LYS NZ :NH3+ -162:sc= 0.48 (180deg=0) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 0.446 USER MOD Set 2.1: A 35 CYS SG : rot -163:sc= 0.027 USER MOD Set 2.2: A 37 SER OG : rot 79:sc= 0.871 USER MOD Set 2.3: A 38 CYS SG : rot -56:sc= 0.501 USER MOD Set 2.4: A 58 CYS SG : rot -129:sc= -2.6! USER MOD Set 3.1: A 8 CYS SG : rot 149:sc= 2.31 USER MOD Set 3.2: A 11 CYS SG : rot -44:sc= 0.794 USER MOD Set 3.3: A 29 HIS : no HD1:sc=-0.00484 K(o=-0.6,f=-4) USER MOD Set 3.4: A 32 CYS SG : rot -163:sc= -3.71! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -32:sc= 0.266 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0702 USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= 0.57 (180deg=-0.594) USER MOD Single : A 36 SER OG : rot -140:sc= -1.02! USER MOD Single : A 39 GLN : amide:sc= -0.0248 X(o=-0.025,f=-0.39) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.023 F(o=-1.5!,f=-0.023) USER MOD Single : A 47 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 48 SER OG : rot 180:sc= -0.093 USER MOD Single : A 49 SER OG : rot -125:sc= 0.259 USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot -160:sc= 1.02 USER MOD Single : A 53 SER OG : rot 122:sc= 1.74 USER MOD Single : A 55 MET CE :methyl 153:sc= -0.688 (180deg=-2.55!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 75:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -10.702 -2.683 0.044 1.00 0.00 N ATOM 98 CA ARG A 7 -10.180 -3.306 1.246 1.00 0.00 C ATOM 99 C ARG A 7 -8.755 -2.858 1.478 1.00 0.00 C ATOM 100 O ARG A 7 -8.028 -2.560 0.529 1.00 0.00 O ATOM 101 CB ARG A 7 -10.231 -4.839 1.171 1.00 0.00 C ATOM 102 CG ARG A 7 -9.844 -5.415 -0.181 1.00 0.00 C ATOM 103 CD ARG A 7 -8.335 -5.508 -0.372 1.00 0.00 C ATOM 104 NE ARG A 7 -7.654 -6.081 0.790 1.00 0.00 N ATOM 105 CZ ARG A 7 -7.097 -7.291 0.810 1.00 0.00 C ATOM 106 NH1 ARG A 7 -7.186 -8.087 -0.251 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.450 -7.699 1.892 1.00 0.00 N ATOM 0 HA ARG A 7 -10.811 -2.993 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.566 -5.250 1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.240 -5.169 1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.281 -6.408 -0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.268 -4.794 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.121 -6.117 -1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.935 -4.513 -0.568 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.603 -5.518 1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.682 -7.772 -1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.758 -9.013 -0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.380 -7.087 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.022 -8.625 1.912 1.00 0.00 H new ATOM 121 N CYS A 8 -8.351 -2.878 2.729 1.00 0.00 N ATOM 122 CA CYS A 8 -6.992 -2.581 3.096 1.00 0.00 C ATOM 123 C CYS A 8 -6.103 -3.764 2.756 1.00 0.00 C ATOM 124 O CYS A 8 -6.438 -4.912 3.071 1.00 0.00 O ATOM 125 CB CYS A 8 -6.920 -2.297 4.588 1.00 0.00 C ATOM 126 SG CYS A 8 -5.255 -1.890 5.203 1.00 0.00 S ATOM 0 H CYS A 8 -8.958 -3.101 3.517 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.650 -1.705 2.545 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.591 -1.470 4.820 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.290 -3.168 5.129 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.352 -1.078 6.213 1.00 0.00 H new ATOM 131 N ALA A 9 -4.968 -3.482 2.150 1.00 0.00 N ATOM 132 CA ALA A 9 -4.004 -4.516 1.832 1.00 0.00 C ATOM 133 C ALA A 9 -2.985 -4.640 2.956 1.00 0.00 C ATOM 134 O ALA A 9 -2.062 -5.452 2.889 1.00 0.00 O ATOM 135 CB ALA A 9 -3.315 -4.209 0.513 1.00 0.00 C ATOM 0 H ALA A 9 -4.690 -2.542 1.867 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.526 -5.467 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.594 -4.995 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.058 -4.160 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.798 -3.252 0.587 1.00 0.00 H new ATOM 141 N GLY A 10 -3.165 -3.828 3.991 1.00 0.00 N ATOM 142 CA GLY A 10 -2.255 -3.838 5.112 1.00 0.00 C ATOM 143 C GLY A 10 -2.729 -4.730 6.235 1.00 0.00 C ATOM 144 O GLY A 10 -2.014 -5.646 6.652 1.00 0.00 O ATOM 0 H GLY A 10 -3.932 -3.160 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.274 -4.173 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.134 -2.822 5.486 1.00 0.00 H new ATOM 148 N CYS A 11 -3.933 -4.473 6.731 1.00 0.00 N ATOM 149 CA CYS A 11 -4.471 -5.272 7.816 1.00 0.00 C ATOM 150 C CYS A 11 -5.521 -6.250 7.300 1.00 0.00 C ATOM 151 O CYS A 11 -5.775 -7.289 7.912 1.00 0.00 O ATOM 152 CB CYS A 11 -5.052 -4.380 8.925 1.00 0.00 C ATOM 153 SG CYS A 11 -6.409 -3.270 8.420 1.00 0.00 S ATOM 0 H CYS A 11 -4.546 -3.727 6.402 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.652 -5.849 8.246 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.412 -5.021 9.730 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.246 -3.773 9.337 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.114 -2.714 7.282 1.00 0.00 H new ATOM 158 N GLY A 12 -6.130 -5.902 6.178 1.00 0.00 N ATOM 159 CA GLY A 12 -7.160 -6.739 5.602 1.00 0.00 C ATOM 160 C GLY A 12 -8.525 -6.403 6.158 1.00 0.00 C ATOM 161 O GLY A 12 -8.793 -6.639 7.337 1.00 0.00 O ATOM 0 H GLY A 12 -5.928 -5.051 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.167 -6.615 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.933 -7.786 5.802 1.00 0.00 H new ATOM 165 N GLY A 13 -9.367 -5.798 5.338 1.00 0.00 N ATOM 166 CA GLY A 13 -10.664 -5.387 5.792 1.00 0.00 C ATOM 167 C GLY A 13 -11.206 -4.242 4.976 1.00 0.00 C ATOM 168 O GLY A 13 -10.457 -3.363 4.545 1.00 0.00 O ATOM 0 H GLY A 13 -9.168 -5.586 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.352 -6.230 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.605 -5.091 6.839 1.00 0.00 H new ATOM 172 N LYS A 14 -12.503 -4.271 4.757 1.00 0.00 N ATOM 173 CA LYS A 14 -13.201 -3.217 4.031 1.00 0.00 C ATOM 174 C LYS A 14 -13.038 -1.887 4.756 1.00 0.00 C ATOM 175 O LYS A 14 -13.271 -1.801 5.962 1.00 0.00 O ATOM 176 CB LYS A 14 -14.680 -3.574 3.900 1.00 0.00 C ATOM 177 CG LYS A 14 -15.038 -4.188 2.554 1.00 0.00 C ATOM 178 CD LYS A 14 -15.361 -5.665 2.685 1.00 0.00 C ATOM 179 CE LYS A 14 -14.152 -6.530 2.369 1.00 0.00 C ATOM 180 NZ LYS A 14 -14.133 -7.769 3.189 1.00 0.00 N ATOM 0 H LYS A 14 -13.110 -5.026 5.076 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.771 -3.123 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.949 -4.273 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.278 -2.675 4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.894 -3.663 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.208 -4.056 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.705 -5.875 3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.179 -5.921 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.160 -6.794 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.240 -5.961 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.294 -8.333 2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.100 -7.517 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.991 -8.325 2.998 1.00 0.00 H new ATOM 194 N ILE A 15 -12.499 -0.894 4.062 1.00 0.00 N ATOM 195 CA ILE A 15 -12.184 0.377 4.694 1.00 0.00 C ATOM 196 C ILE A 15 -13.355 1.347 4.626 1.00 0.00 C ATOM 197 O ILE A 15 -14.194 1.374 5.527 1.00 0.00 O ATOM 198 CB ILE A 15 -10.942 1.047 4.072 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.945 -0.003 3.576 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.283 1.969 5.089 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.666 0.593 3.030 1.00 0.00 C ATOM 0 H ILE A 15 -12.273 -0.944 3.069 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.971 0.144 5.737 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.262 1.638 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.701 -0.678 4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.418 -0.604 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.407 2.438 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.991 2.740 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.979 1.390 5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.005 -0.207 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.899 1.246 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.171 1.170 3.811 1.00 0.00 H new ATOM 212 N ALA A 16 -13.345 2.212 3.606 1.00 0.00 N ATOM 213 CA ALA A 16 -14.332 3.285 3.479 1.00 0.00 C ATOM 214 C ALA A 16 -14.264 4.216 4.687 1.00 0.00 C ATOM 215 O ALA A 16 -15.271 4.792 5.108 1.00 0.00 O ATOM 216 CB ALA A 16 -15.737 2.726 3.307 1.00 0.00 C ATOM 0 H ALA A 16 -12.658 2.187 2.852 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.093 3.859 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.447 3.548 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.776 2.111 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.995 2.118 4.174 1.00 0.00 H new ATOM 222 N ASP A 17 -13.068 4.336 5.246 1.00 0.00 N ATOM 223 CA ASP A 17 -12.829 5.180 6.409 1.00 0.00 C ATOM 224 C ASP A 17 -12.704 6.630 5.984 1.00 0.00 C ATOM 225 O ASP A 17 -12.465 6.921 4.810 1.00 0.00 O ATOM 226 CB ASP A 17 -11.544 4.747 7.122 1.00 0.00 C ATOM 227 CG ASP A 17 -11.806 3.895 8.349 1.00 0.00 C ATOM 228 OD1 ASP A 17 -12.737 4.216 9.117 1.00 0.00 O ATOM 229 OD2 ASP A 17 -11.070 2.905 8.558 1.00 0.00 O ATOM 0 H ASP A 17 -12.237 3.852 4.907 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.672 5.075 7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.919 4.189 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.981 5.633 7.415 1.00 0.00 H new ATOM 234 N ARG A 18 -12.769 7.531 6.949 1.00 0.00 N ATOM 235 CA ARG A 18 -12.534 8.937 6.680 1.00 0.00 C ATOM 236 C ARG A 18 -11.054 9.146 6.391 1.00 0.00 C ATOM 237 O ARG A 18 -10.669 10.014 5.606 1.00 0.00 O ATOM 238 CB ARG A 18 -12.969 9.790 7.874 1.00 0.00 C ATOM 239 CG ARG A 18 -12.834 11.286 7.638 1.00 0.00 C ATOM 240 CD ARG A 18 -12.993 12.068 8.929 1.00 0.00 C ATOM 241 NE ARG A 18 -14.121 12.995 8.872 1.00 0.00 N ATOM 242 CZ ARG A 18 -14.325 13.969 9.759 1.00 0.00 C ATOM 243 NH1 ARG A 18 -13.480 14.137 10.768 1.00 0.00 N ATOM 244 NH2 ARG A 18 -15.372 14.778 9.638 1.00 0.00 N ATOM 0 H ARG A 18 -12.982 7.314 7.923 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.121 9.243 5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.007 9.561 8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.373 9.513 8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.859 11.500 7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.586 11.612 6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.135 11.374 9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.077 12.623 9.132 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.791 12.891 8.110 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.673 13.521 10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.637 14.883 11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.024 14.655 8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.523 15.522 10.320 1.00 0.00 H new ATOM 258 N PHE A 19 -10.236 8.322 7.025 1.00 0.00 N ATOM 259 CA PHE A 19 -8.797 8.380 6.867 1.00 0.00 C ATOM 260 C PHE A 19 -8.266 7.067 6.305 1.00 0.00 C ATOM 261 O PHE A 19 -7.994 6.130 7.054 1.00 0.00 O ATOM 262 CB PHE A 19 -8.150 8.650 8.220 1.00 0.00 C ATOM 263 CG PHE A 19 -7.864 10.098 8.484 1.00 0.00 C ATOM 264 CD1 PHE A 19 -8.866 11.049 8.375 1.00 0.00 C ATOM 265 CD2 PHE A 19 -6.593 10.508 8.847 1.00 0.00 C ATOM 266 CE1 PHE A 19 -8.604 12.380 8.622 1.00 0.00 C ATOM 267 CE2 PHE A 19 -6.325 11.839 9.096 1.00 0.00 C ATOM 268 CZ PHE A 19 -7.331 12.776 8.982 1.00 0.00 C ATOM 0 H PHE A 19 -10.554 7.594 7.664 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.553 9.183 6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.804 8.271 9.005 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.217 8.089 8.283 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.863 10.744 8.093 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.802 9.778 8.936 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.393 13.112 8.534 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.329 12.146 9.380 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.123 13.818 9.174 1.00 0.00 H new ATOM 278 N LEU A 20 -8.082 7.015 4.996 1.00 0.00 N ATOM 279 CA LEU A 20 -7.513 5.836 4.360 1.00 0.00 C ATOM 280 C LEU A 20 -6.425 6.233 3.371 1.00 0.00 C ATOM 281 O LEU A 20 -6.186 7.417 3.125 1.00 0.00 O ATOM 282 CB LEU A 20 -8.582 4.973 3.648 1.00 0.00 C ATOM 283 CG LEU A 20 -9.827 5.692 3.093 1.00 0.00 C ATOM 284 CD1 LEU A 20 -9.447 6.912 2.267 1.00 0.00 C ATOM 285 CD2 LEU A 20 -10.656 4.729 2.246 1.00 0.00 C ATOM 0 H LEU A 20 -8.317 7.772 4.354 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.079 5.230 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.098 4.453 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.920 4.210 4.350 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.420 6.032 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.350 7.393 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.893 7.615 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.825 6.603 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.533 5.248 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.053 4.365 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.974 3.886 2.860 1.00 0.00 H new ATOM 297 N LEU A 21 -5.792 5.230 2.792 1.00 0.00 N ATOM 298 CA LEU A 21 -4.761 5.429 1.795 1.00 0.00 C ATOM 299 C LEU A 21 -5.066 4.569 0.582 1.00 0.00 C ATOM 300 O LEU A 21 -5.793 3.583 0.679 1.00 0.00 O ATOM 301 CB LEU A 21 -3.388 5.053 2.356 1.00 0.00 C ATOM 302 CG LEU A 21 -2.259 5.993 1.963 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.404 6.320 3.171 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.419 5.372 0.863 1.00 0.00 C ATOM 0 H LEU A 21 -5.981 4.250 3.002 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.744 6.481 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.452 5.020 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.137 4.047 2.021 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.688 6.921 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.600 6.994 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.019 6.800 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.978 5.401 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.614 6.055 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.994 4.432 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.045 5.182 -0.009 1.00 0.00 H new ATOM 316 N TYR A 22 -4.450 4.897 -0.534 1.00 0.00 N ATOM 317 CA TYR A 22 -4.555 4.085 -1.731 1.00 0.00 C ATOM 318 C TYR A 22 -3.170 3.932 -2.333 1.00 0.00 C ATOM 319 O TYR A 22 -2.390 4.886 -2.353 1.00 0.00 O ATOM 320 CB TYR A 22 -5.516 4.699 -2.763 1.00 0.00 C ATOM 321 CG TYR A 22 -6.634 5.543 -2.176 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.467 6.902 -1.949 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.864 4.980 -1.875 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.489 7.671 -1.435 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.896 5.741 -1.366 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.702 7.091 -1.148 1.00 0.00 C ATOM 327 OH TYR A 22 -9.724 7.863 -0.640 1.00 0.00 O ATOM 0 H TYR A 22 -3.866 5.727 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.963 3.112 -1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.939 5.316 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.958 3.894 -3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.519 7.365 -2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.018 3.924 -2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.337 8.726 -1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.848 5.285 -1.140 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.349 8.580 -0.088 1.00 0.00 H new ATOM 337 N ALA A 23 -2.818 2.726 -2.725 1.00 0.00 N ATOM 338 CA ALA A 23 -1.488 2.473 -3.241 1.00 0.00 C ATOM 339 C ALA A 23 -1.498 1.353 -4.267 1.00 0.00 C ATOM 340 O ALA A 23 -1.701 0.184 -3.923 1.00 0.00 O ATOM 341 CB ALA A 23 -0.528 2.162 -2.100 1.00 0.00 C ATOM 0 H ALA A 23 -3.429 1.910 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.142 3.375 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.467 1.974 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.489 3.010 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.875 1.279 -1.563 1.00 0.00 H new ATOM 347 N MET A 24 -1.307 1.731 -5.529 1.00 0.00 N ATOM 348 CA MET A 24 -1.296 0.786 -6.646 1.00 0.00 C ATOM 349 C MET A 24 -2.633 0.052 -6.745 1.00 0.00 C ATOM 350 O MET A 24 -2.689 -1.175 -6.619 1.00 0.00 O ATOM 351 CB MET A 24 -0.143 -0.216 -6.505 1.00 0.00 C ATOM 352 CG MET A 24 1.086 0.136 -7.335 1.00 0.00 C ATOM 353 SD MET A 24 1.650 -1.238 -8.358 1.00 0.00 S ATOM 354 CE MET A 24 1.181 -0.657 -9.987 1.00 0.00 C ATOM 0 H MET A 24 -1.155 2.701 -5.807 1.00 0.00 H new ATOM 0 HA MET A 24 -1.144 1.353 -7.565 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.145 -0.278 -5.456 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.496 -1.205 -6.798 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.856 0.989 -7.974 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.893 0.444 -6.670 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.464 -1.399 -10.733 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.103 -0.501 -10.021 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.691 0.283 -10.199 1.00 0.00 H new ATOM 364 N ASP A 25 -3.702 0.826 -6.939 1.00 0.00 N ATOM 365 CA ASP A 25 -5.073 0.305 -7.088 1.00 0.00 C ATOM 366 C ASP A 25 -5.660 -0.236 -5.784 1.00 0.00 C ATOM 367 O ASP A 25 -6.867 -0.143 -5.563 1.00 0.00 O ATOM 368 CB ASP A 25 -5.153 -0.771 -8.175 1.00 0.00 C ATOM 369 CG ASP A 25 -5.757 -0.242 -9.458 1.00 0.00 C ATOM 370 OD1 ASP A 25 -6.973 0.048 -9.467 1.00 0.00 O ATOM 371 OD2 ASP A 25 -5.027 -0.124 -10.468 1.00 0.00 O ATOM 0 H ASP A 25 -3.646 1.843 -6.999 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.676 1.163 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.154 -1.156 -8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.750 -1.608 -7.812 1.00 0.00 H new ATOM 376 N SER A 26 -4.827 -0.812 -4.934 1.00 0.00 N ATOM 377 CA SER A 26 -5.298 -1.363 -3.673 1.00 0.00 C ATOM 378 C SER A 26 -5.306 -0.291 -2.593 1.00 0.00 C ATOM 379 O SER A 26 -4.517 0.651 -2.638 1.00 0.00 O ATOM 380 CB SER A 26 -4.419 -2.542 -3.257 1.00 0.00 C ATOM 381 OG SER A 26 -3.869 -3.177 -4.399 1.00 0.00 O ATOM 0 H SER A 26 -3.824 -0.911 -5.092 1.00 0.00 H new ATOM 0 HA SER A 26 -6.320 -1.719 -3.804 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.617 -2.194 -2.606 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.008 -3.258 -2.683 1.00 0.00 H new ATOM 0 HG SER A 26 -3.307 -3.929 -4.117 1.00 0.00 H new ATOM 387 N TYR A 27 -6.234 -0.402 -1.659 1.00 0.00 N ATOM 388 CA TYR A 27 -6.359 0.590 -0.605 1.00 0.00 C ATOM 389 C TYR A 27 -5.638 0.125 0.648 1.00 0.00 C ATOM 390 O TYR A 27 -5.288 -1.049 0.778 1.00 0.00 O ATOM 391 CB TYR A 27 -7.827 0.878 -0.291 1.00 0.00 C ATOM 392 CG TYR A 27 -8.591 1.567 -1.403 1.00 0.00 C ATOM 393 CD1 TYR A 27 -8.013 1.817 -2.649 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.912 1.951 -1.209 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.735 2.424 -3.661 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.638 2.553 -2.217 1.00 0.00 C ATOM 397 CZ TYR A 27 -10.046 2.786 -3.439 1.00 0.00 C ATOM 398 OH TYR A 27 -10.776 3.373 -4.444 1.00 0.00 O ATOM 0 H TYR A 27 -6.909 -1.165 -1.608 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.898 1.513 -0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.325 -0.063 -0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.878 1.498 0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.986 1.532 -2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.380 1.775 -0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.274 2.613 -4.619 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.665 2.840 -2.048 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.682 3.564 -4.122 1.00 0.00 H new ATOM 408 N TRP A 28 -5.364 1.066 1.530 1.00 0.00 N ATOM 409 CA TRP A 28 -4.611 0.804 2.742 1.00 0.00 C ATOM 410 C TRP A 28 -5.113 1.703 3.862 1.00 0.00 C ATOM 411 O TRP A 28 -5.806 2.687 3.605 1.00 0.00 O ATOM 412 CB TRP A 28 -3.121 1.112 2.530 1.00 0.00 C ATOM 413 CG TRP A 28 -2.415 0.249 1.528 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.470 0.345 0.164 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.508 -0.817 1.815 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.664 -0.607 -0.410 1.00 0.00 N ATOM 417 CE2 TRP A 28 -1.061 -1.331 0.584 1.00 0.00 C ATOM 418 CE3 TRP A 28 -1.030 -1.393 2.991 1.00 0.00 C ATOM 419 CZ2 TRP A 28 -0.166 -2.388 0.506 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.144 -2.444 2.908 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.279 -2.931 1.672 1.00 0.00 C ATOM 0 H TRP A 28 -5.658 2.037 1.426 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.742 -0.247 2.999 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.025 2.152 2.218 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.609 1.018 3.488 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.062 1.065 -0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.536 -0.751 -1.412 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.350 -1.021 3.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.167 -2.768 -0.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.229 -2.898 3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.974 -3.757 1.639 1.00 0.00 H new ATOM 432 N HIS A 29 -4.527 1.532 5.031 1.00 0.00 N ATOM 433 CA HIS A 29 -4.649 2.526 6.082 1.00 0.00 C ATOM 434 C HIS A 29 -3.357 3.327 6.105 1.00 0.00 C ATOM 435 O HIS A 29 -2.354 2.880 5.554 1.00 0.00 O ATOM 436 CB HIS A 29 -4.902 1.869 7.438 1.00 0.00 C ATOM 437 CG HIS A 29 -6.323 1.451 7.642 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.687 0.131 7.650 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.431 2.212 7.834 1.00 0.00 C ATOM 440 CE1 HIS A 29 -7.994 0.102 7.842 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.491 1.347 7.960 1.00 0.00 N ATOM 0 H HIS A 29 -3.964 0.718 5.277 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.500 3.177 5.884 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.257 0.996 7.536 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.619 2.564 8.228 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.471 3.290 7.879 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.585 -0.801 7.897 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.467 1.600 8.113 1.00 0.00 H new ATOM 449 N SER A 30 -3.355 4.494 6.726 1.00 0.00 N ATOM 450 CA SER A 30 -2.146 5.306 6.757 1.00 0.00 C ATOM 451 C SER A 30 -1.103 4.687 7.689 1.00 0.00 C ATOM 452 O SER A 30 0.090 4.964 7.568 1.00 0.00 O ATOM 453 CB SER A 30 -2.464 6.746 7.166 1.00 0.00 C ATOM 454 OG SER A 30 -3.589 6.806 8.028 1.00 0.00 O ATOM 0 H SER A 30 -4.159 4.897 7.208 1.00 0.00 H new ATOM 0 HA SER A 30 -1.727 5.331 5.751 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.599 7.183 7.665 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.655 7.345 6.275 1.00 0.00 H new ATOM 0 HG SER A 30 -3.765 7.739 8.272 1.00 0.00 H new ATOM 460 N ARG A 31 -1.548 3.798 8.575 1.00 0.00 N ATOM 461 CA ARG A 31 -0.636 3.077 9.456 1.00 0.00 C ATOM 462 C ARG A 31 -0.274 1.721 8.852 1.00 0.00 C ATOM 463 O ARG A 31 0.832 1.220 9.056 1.00 0.00 O ATOM 464 CB ARG A 31 -1.251 2.886 10.845 1.00 0.00 C ATOM 465 CG ARG A 31 -0.238 2.485 11.910 1.00 0.00 C ATOM 466 CD ARG A 31 0.701 3.631 12.252 1.00 0.00 C ATOM 467 NE ARG A 31 2.088 3.180 12.364 1.00 0.00 N ATOM 468 CZ ARG A 31 3.033 3.809 13.065 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.768 4.952 13.685 1.00 0.00 N ATOM 470 NH2 ARG A 31 4.256 3.296 13.128 1.00 0.00 N ATOM 0 H ARG A 31 -2.532 3.561 8.701 1.00 0.00 H new ATOM 0 HA ARG A 31 0.271 3.672 9.562 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.737 3.813 11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.027 2.123 10.788 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.763 2.164 12.810 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.342 1.632 11.558 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.630 4.401 11.484 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.390 4.088 13.191 1.00 0.00 H new ATOM 0 HE ARG A 31 2.351 2.326 11.872 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.834 5.358 13.628 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.498 5.424 14.218 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.469 2.425 12.642 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.982 3.773 13.663 1.00 0.00 H new ATOM 484 N CYS A 32 -1.178 1.174 8.042 1.00 0.00 N ATOM 485 CA CYS A 32 -0.925 -0.085 7.352 1.00 0.00 C ATOM 486 C CYS A 32 -0.028 0.157 6.139 1.00 0.00 C ATOM 487 O CYS A 32 0.712 -0.730 5.707 1.00 0.00 O ATOM 488 CB CYS A 32 -2.247 -0.734 6.942 1.00 0.00 C ATOM 489 SG CYS A 32 -3.407 -0.976 8.329 1.00 0.00 S ATOM 0 H CYS A 32 -2.092 1.584 7.849 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.409 -0.769 8.026 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.726 -0.115 6.184 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.040 -1.700 6.481 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.327 -1.826 7.982 1.00 0.00 H new ATOM 494 N LEU A 33 0.052 1.424 5.752 1.00 0.00 N ATOM 495 CA LEU A 33 1.043 1.890 4.795 1.00 0.00 C ATOM 496 C LEU A 33 2.387 1.965 5.515 1.00 0.00 C ATOM 497 O LEU A 33 2.708 2.986 6.128 1.00 0.00 O ATOM 498 CB LEU A 33 0.640 3.279 4.281 1.00 0.00 C ATOM 499 CG LEU A 33 0.691 3.508 2.763 1.00 0.00 C ATOM 500 CD1 LEU A 33 2.084 3.871 2.316 1.00 0.00 C ATOM 501 CD2 LEU A 33 0.215 2.306 1.983 1.00 0.00 C ATOM 0 H LEU A 33 -0.570 2.157 6.094 1.00 0.00 H new ATOM 0 HA LEU A 33 1.111 1.212 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.376 3.483 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.288 4.016 4.756 1.00 0.00 H new ATOM 0 HG LEU A 33 0.014 4.337 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.091 4.027 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.400 4.786 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.770 3.063 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.271 2.520 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.846 1.448 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.816 2.081 2.255 1.00 0.00 H new ATOM 513 N LYS A 34 3.002 0.807 5.700 1.00 0.00 N ATOM 514 CA LYS A 34 4.129 0.691 6.615 1.00 0.00 C ATOM 515 C LYS A 34 5.341 0.044 5.955 1.00 0.00 C ATOM 516 O LYS A 34 5.226 -0.644 4.944 1.00 0.00 O ATOM 517 CB LYS A 34 3.705 -0.116 7.857 1.00 0.00 C ATOM 518 CG LYS A 34 4.055 -1.601 7.803 1.00 0.00 C ATOM 519 CD LYS A 34 2.947 -2.425 7.165 1.00 0.00 C ATOM 520 CE LYS A 34 3.379 -3.006 5.826 1.00 0.00 C ATOM 521 NZ LYS A 34 2.341 -2.812 4.779 1.00 0.00 N ATOM 0 H LYS A 34 2.742 -0.061 5.232 1.00 0.00 H new ATOM 0 HA LYS A 34 4.423 1.698 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.176 0.323 8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.628 -0.015 7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.978 -1.736 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.243 -1.966 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.661 -3.234 7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.064 -1.801 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.309 -2.534 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.585 -4.070 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.801 -2.629 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.756 -3.669 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.740 -2.002 5.032 1.00 0.00 H new ATOM 535 N CYS A 35 6.488 0.233 6.588 1.00 0.00 N ATOM 536 CA CYS A 35 7.737 -0.362 6.151 1.00 0.00 C ATOM 537 C CYS A 35 7.777 -1.842 6.503 1.00 0.00 C ATOM 538 O CYS A 35 7.133 -2.271 7.455 1.00 0.00 O ATOM 539 CB CYS A 35 8.884 0.336 6.874 1.00 0.00 C ATOM 540 SG CYS A 35 10.341 0.740 5.865 1.00 0.00 S ATOM 0 H CYS A 35 6.577 0.808 7.426 1.00 0.00 H new ATOM 0 HA CYS A 35 7.825 -0.250 5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.503 1.259 7.310 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.205 -0.298 7.700 1.00 0.00 H new ATOM 0 HG CYS A 35 11.353 0.986 6.643 1.00 0.00 H new ATOM 545 N SER A 36 8.728 -2.547 5.915 1.00 0.00 N ATOM 546 CA SER A 36 9.050 -3.888 6.371 1.00 0.00 C ATOM 547 C SER A 36 10.282 -3.820 7.263 1.00 0.00 C ATOM 548 O SER A 36 10.885 -4.837 7.605 1.00 0.00 O ATOM 549 CB SER A 36 9.296 -4.817 5.183 1.00 0.00 C ATOM 550 OG SER A 36 8.396 -4.529 4.128 1.00 0.00 O ATOM 0 H SER A 36 9.286 -2.217 5.128 1.00 0.00 H new ATOM 0 HA SER A 36 8.211 -4.291 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.322 -4.704 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.178 -5.855 5.496 1.00 0.00 H new ATOM 0 HG SER A 36 8.093 -5.366 3.719 1.00 0.00 H new ATOM 556 N SER A 37 10.700 -2.594 7.556 1.00 0.00 N ATOM 557 CA SER A 37 11.905 -2.362 8.328 1.00 0.00 C ATOM 558 C SER A 37 11.600 -1.551 9.591 1.00 0.00 C ATOM 559 O SER A 37 11.545 -2.108 10.689 1.00 0.00 O ATOM 560 CB SER A 37 12.943 -1.652 7.456 1.00 0.00 C ATOM 561 OG SER A 37 12.559 -1.681 6.086 1.00 0.00 O ATOM 0 H SER A 37 10.216 -1.744 7.267 1.00 0.00 H new ATOM 0 HA SER A 37 12.310 -3.322 8.648 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.055 -0.619 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.914 -2.132 7.576 1.00 0.00 H new ATOM 0 HG SER A 37 11.877 -0.996 5.923 1.00 0.00 H new ATOM 567 N CYS A 38 11.408 -0.242 9.440 1.00 0.00 N ATOM 568 CA CYS A 38 11.134 0.621 10.584 1.00 0.00 C ATOM 569 C CYS A 38 9.669 0.516 11.009 1.00 0.00 C ATOM 570 O CYS A 38 9.334 0.738 12.173 1.00 0.00 O ATOM 571 CB CYS A 38 11.508 2.078 10.270 1.00 0.00 C ATOM 572 SG CYS A 38 10.460 2.902 9.022 1.00 0.00 S ATOM 0 H CYS A 38 11.437 0.241 8.542 1.00 0.00 H new ATOM 0 HA CYS A 38 11.751 0.284 11.416 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.464 2.654 11.194 1.00 0.00 H new ATOM 0 HB3 CYS A 38 12.542 2.104 9.926 1.00 0.00 H new ATOM 0 HG CYS A 38 10.466 2.207 7.923 1.00 0.00 H new ATOM 577 N GLN A 39 8.814 0.164 10.052 1.00 0.00 N ATOM 578 CA GLN A 39 7.377 0.012 10.285 1.00 0.00 C ATOM 579 C GLN A 39 6.779 1.276 10.886 1.00 0.00 C ATOM 580 O GLN A 39 5.906 1.216 11.756 1.00 0.00 O ATOM 581 CB GLN A 39 7.089 -1.189 11.190 1.00 0.00 C ATOM 582 CG GLN A 39 7.439 -2.523 10.555 1.00 0.00 C ATOM 583 CD GLN A 39 7.659 -3.619 11.577 1.00 0.00 C ATOM 584 OE1 GLN A 39 8.368 -3.430 12.569 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.051 -4.769 11.346 1.00 0.00 N ATOM 0 H GLN A 39 9.097 -0.025 9.090 1.00 0.00 H new ATOM 0 HA GLN A 39 6.908 -0.164 9.317 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.651 -1.078 12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.032 -1.188 11.456 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.638 -2.819 9.878 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.340 -2.408 9.952 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.474 -4.882 10.513 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.159 -5.544 12.001 1.00 0.00 H new ATOM 594 N ALA A 40 7.237 2.422 10.406 1.00 0.00 N ATOM 595 CA ALA A 40 6.716 3.693 10.860 1.00 0.00 C ATOM 596 C ALA A 40 5.457 4.043 10.078 1.00 0.00 C ATOM 597 O ALA A 40 4.802 3.165 9.504 1.00 0.00 O ATOM 598 CB ALA A 40 7.770 4.779 10.708 1.00 0.00 C ATOM 0 H ALA A 40 7.970 2.493 9.701 1.00 0.00 H new ATOM 0 HA ALA A 40 6.458 3.619 11.916 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.365 5.730 11.053 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.647 4.521 11.302 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.055 4.865 9.659 1.00 0.00 H new ATOM 604 N GLN A 41 5.169 5.320 9.981 1.00 0.00 N ATOM 605 CA GLN A 41 4.037 5.779 9.204 1.00 0.00 C ATOM 606 C GLN A 41 4.491 6.154 7.803 1.00 0.00 C ATOM 607 O GLN A 41 4.854 7.301 7.535 1.00 0.00 O ATOM 608 CB GLN A 41 3.361 6.967 9.885 1.00 0.00 C ATOM 609 CG GLN A 41 1.994 7.291 9.310 1.00 0.00 C ATOM 610 CD GLN A 41 0.892 7.256 10.350 1.00 0.00 C ATOM 611 OE1 GLN A 41 -0.135 6.468 10.091 1.00 0.00 O flip ATOM 612 NE2 GLN A 41 0.964 7.931 11.376 1.00 0.00 N flip ATOM 0 H GLN A 41 5.704 6.063 10.431 1.00 0.00 H new ATOM 0 HA GLN A 41 3.309 4.971 9.135 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.259 6.757 10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.003 7.843 9.793 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.023 8.280 8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.761 6.580 8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.775 8.527 11.538 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.212 7.894 12.064 1.00 0.00 H new ATOM 621 N LEU A 42 4.515 5.170 6.920 1.00 0.00 N ATOM 622 CA LEU A 42 4.962 5.383 5.554 1.00 0.00 C ATOM 623 C LEU A 42 3.853 6.025 4.732 1.00 0.00 C ATOM 624 O LEU A 42 4.067 6.452 3.601 1.00 0.00 O ATOM 625 CB LEU A 42 5.398 4.058 4.923 1.00 0.00 C ATOM 626 CG LEU A 42 6.911 3.834 4.863 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.529 3.919 6.251 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.231 2.492 4.225 1.00 0.00 C ATOM 0 H LEU A 42 4.229 4.213 7.126 1.00 0.00 H new ATOM 0 HA LEU A 42 5.819 6.056 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.947 3.240 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.998 4.007 3.910 1.00 0.00 H new ATOM 0 HG LEU A 42 7.342 4.623 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.605 3.756 6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.338 4.905 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.088 3.157 6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.312 2.353 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.780 1.693 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.831 2.466 3.211 1.00 0.00 H new ATOM 640 N GLY A 43 2.680 6.140 5.337 1.00 0.00 N ATOM 641 CA GLY A 43 1.564 6.779 4.679 1.00 0.00 C ATOM 642 C GLY A 43 1.288 8.158 5.237 1.00 0.00 C ATOM 643 O GLY A 43 0.135 8.562 5.379 1.00 0.00 O ATOM 0 H GLY A 43 2.483 5.799 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.768 6.855 3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.675 6.159 4.790 1.00 0.00 H new ATOM 647 N ASP A 44 2.357 8.876 5.547 1.00 0.00 N ATOM 648 CA ASP A 44 2.260 10.236 6.066 1.00 0.00 C ATOM 649 C ASP A 44 3.516 11.005 5.688 1.00 0.00 C ATOM 650 O ASP A 44 4.216 11.547 6.545 1.00 0.00 O ATOM 651 CB ASP A 44 2.091 10.227 7.586 1.00 0.00 C ATOM 652 CG ASP A 44 0.881 11.010 8.050 1.00 0.00 C ATOM 653 OD1 ASP A 44 0.957 12.253 8.122 1.00 0.00 O ATOM 654 OD2 ASP A 44 -0.156 10.387 8.365 1.00 0.00 O ATOM 0 H ASP A 44 3.313 8.536 5.447 1.00 0.00 H new ATOM 0 HA ASP A 44 1.386 10.719 5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.004 9.197 7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.986 10.644 8.048 1.00 0.00 H new ATOM 659 N ILE A 45 3.877 10.907 4.417 1.00 0.00 N ATOM 660 CA ILE A 45 5.135 11.461 3.926 1.00 0.00 C ATOM 661 C ILE A 45 4.940 12.213 2.613 1.00 0.00 C ATOM 662 O ILE A 45 5.905 12.502 1.905 1.00 0.00 O ATOM 663 CB ILE A 45 6.180 10.344 3.702 1.00 0.00 C ATOM 664 CG1 ILE A 45 5.548 9.164 2.949 1.00 0.00 C ATOM 665 CG2 ILE A 45 6.769 9.883 5.027 1.00 0.00 C ATOM 666 CD1 ILE A 45 6.158 8.925 1.589 1.00 0.00 C ATOM 0 H ILE A 45 3.314 10.447 3.702 1.00 0.00 H new ATOM 0 HA ILE A 45 5.492 12.154 4.688 1.00 0.00 H new ATOM 0 HB ILE A 45 6.990 10.747 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.653 8.261 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.480 9.347 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.502 9.097 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.254 10.724 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.973 9.497 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.665 8.078 1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.029 9.814 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.221 8.711 1.700 1.00 0.00 H new ATOM 677 N GLY A 46 3.688 12.423 2.236 1.00 0.00 N ATOM 678 CA GLY A 46 3.393 13.006 0.942 1.00 0.00 C ATOM 679 C GLY A 46 2.952 11.937 -0.033 1.00 0.00 C ATOM 680 O GLY A 46 2.112 11.102 0.313 1.00 0.00 O ATOM 0 H GLY A 46 2.870 12.200 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.610 13.758 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.276 13.516 0.557 1.00 0.00 H new ATOM 684 N THR A 47 3.647 11.817 -1.151 1.00 0.00 N ATOM 685 CA THR A 47 3.416 10.683 -2.028 1.00 0.00 C ATOM 686 C THR A 47 4.715 10.219 -2.684 1.00 0.00 C ATOM 687 O THR A 47 5.120 10.707 -3.740 1.00 0.00 O ATOM 688 CB THR A 47 2.360 11.020 -3.113 1.00 0.00 C ATOM 689 OG1 THR A 47 2.356 10.018 -4.140 1.00 0.00 O ATOM 690 CG2 THR A 47 2.611 12.388 -3.736 1.00 0.00 C ATOM 0 H THR A 47 4.360 12.474 -1.468 1.00 0.00 H new ATOM 0 HA THR A 47 3.031 9.870 -1.413 1.00 0.00 H new ATOM 0 HB THR A 47 1.387 11.041 -2.622 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.683 10.245 -4.816 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.851 12.589 -4.491 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.565 13.154 -2.962 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.597 12.401 -4.201 1.00 0.00 H new ATOM 698 N SER A 48 5.289 9.169 -2.114 1.00 0.00 N ATOM 699 CA SER A 48 6.415 8.474 -2.717 1.00 0.00 C ATOM 700 C SER A 48 6.620 7.139 -2.016 1.00 0.00 C ATOM 701 O SER A 48 6.956 7.113 -0.839 1.00 0.00 O ATOM 702 CB SER A 48 7.698 9.314 -2.655 1.00 0.00 C ATOM 703 OG SER A 48 7.546 10.449 -1.814 1.00 0.00 O ATOM 0 H SER A 48 4.987 8.776 -1.222 1.00 0.00 H new ATOM 0 HA SER A 48 6.189 8.304 -3.770 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.519 8.697 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.968 9.640 -3.660 1.00 0.00 H new ATOM 0 HG SER A 48 8.383 10.959 -1.798 1.00 0.00 H new ATOM 709 N SER A 49 6.409 6.039 -2.707 1.00 0.00 N ATOM 710 CA SER A 49 6.624 4.738 -2.101 1.00 0.00 C ATOM 711 C SER A 49 7.876 4.104 -2.685 1.00 0.00 C ATOM 712 O SER A 49 8.484 4.661 -3.594 1.00 0.00 O ATOM 713 CB SER A 49 5.410 3.846 -2.326 1.00 0.00 C ATOM 714 OG SER A 49 4.828 4.109 -3.589 1.00 0.00 O ATOM 0 H SER A 49 6.093 6.016 -3.676 1.00 0.00 H new ATOM 0 HA SER A 49 6.762 4.858 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.705 2.798 -2.266 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.676 4.016 -1.538 1.00 0.00 H new ATOM 0 HG SER A 49 3.881 4.332 -3.473 1.00 0.00 H new ATOM 720 N TYR A 50 8.246 2.928 -2.208 1.00 0.00 N ATOM 721 CA TYR A 50 9.395 2.240 -2.767 1.00 0.00 C ATOM 722 C TYR A 50 9.064 0.784 -3.037 1.00 0.00 C ATOM 723 O TYR A 50 9.050 -0.048 -2.128 1.00 0.00 O ATOM 724 CB TYR A 50 10.596 2.347 -1.825 1.00 0.00 C ATOM 725 CG TYR A 50 11.510 3.511 -2.139 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.989 3.718 -3.427 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.894 4.404 -1.151 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.827 4.778 -3.715 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.731 5.464 -1.430 1.00 0.00 C ATOM 730 CZ TYR A 50 13.194 5.648 -2.715 1.00 0.00 C ATOM 731 OH TYR A 50 14.031 6.703 -2.998 1.00 0.00 O ATOM 0 H TYR A 50 7.776 2.437 -1.448 1.00 0.00 H new ATOM 0 HA TYR A 50 9.653 2.717 -3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.236 2.444 -0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.170 1.422 -1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.701 3.039 -4.216 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.531 4.267 -0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 50 13.192 4.923 -4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 50 13.022 6.147 -0.645 1.00 0.00 H new ATOM 0 HH TYR A 50 13.898 6.986 -3.927 1.00 0.00 H new ATOM 741 N THR A 51 8.803 0.485 -4.296 1.00 0.00 N ATOM 742 CA THR A 51 8.493 -0.869 -4.706 1.00 0.00 C ATOM 743 C THR A 51 9.770 -1.618 -5.082 1.00 0.00 C ATOM 744 O THR A 51 10.332 -1.383 -6.153 1.00 0.00 O ATOM 745 CB THR A 51 7.550 -0.862 -5.925 1.00 0.00 C ATOM 746 OG1 THR A 51 7.059 0.467 -6.157 1.00 0.00 O ATOM 747 CG2 THR A 51 6.382 -1.814 -5.733 1.00 0.00 C ATOM 0 H THR A 51 8.800 1.167 -5.055 1.00 0.00 H new ATOM 0 HA THR A 51 8.006 -1.368 -3.868 1.00 0.00 H new ATOM 0 HB THR A 51 8.121 -1.199 -6.790 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.245 0.425 -6.701 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.739 -1.782 -6.612 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.758 -2.828 -5.595 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.810 -1.516 -4.854 1.00 0.00 H new ATOM 755 N LYS A 52 10.248 -2.480 -4.193 1.00 0.00 N ATOM 756 CA LYS A 52 11.480 -3.218 -4.442 1.00 0.00 C ATOM 757 C LYS A 52 11.453 -4.578 -3.753 1.00 0.00 C ATOM 758 O LYS A 52 11.279 -4.655 -2.542 1.00 0.00 O ATOM 759 CB LYS A 52 12.690 -2.413 -3.952 1.00 0.00 C ATOM 760 CG LYS A 52 13.984 -2.750 -4.678 1.00 0.00 C ATOM 761 CD LYS A 52 14.100 -1.999 -5.994 1.00 0.00 C ATOM 762 CE LYS A 52 15.535 -1.972 -6.493 1.00 0.00 C ATOM 763 NZ LYS A 52 15.753 -0.905 -7.504 1.00 0.00 N ATOM 0 H LYS A 52 9.804 -2.685 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 52 11.564 -3.377 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.482 -1.350 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.825 -2.591 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.834 -2.503 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.028 -3.823 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.462 -2.471 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.739 -0.979 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.209 -1.816 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.786 -2.940 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.625 -1.103 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.947 -0.879 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.840 0.014 -7.025 1.00 0.00 H new ATOM 777 N SER A 53 11.690 -5.638 -4.531 1.00 0.00 N ATOM 778 CA SER A 53 11.815 -7.003 -4.002 1.00 0.00 C ATOM 779 C SER A 53 10.541 -7.500 -3.318 1.00 0.00 C ATOM 780 O SER A 53 10.581 -8.460 -2.550 1.00 0.00 O ATOM 781 CB SER A 53 12.977 -7.063 -3.010 1.00 0.00 C ATOM 782 OG SER A 53 14.222 -6.914 -3.679 1.00 0.00 O ATOM 0 H SER A 53 11.801 -5.577 -5.543 1.00 0.00 H new ATOM 0 HA SER A 53 11.998 -7.657 -4.854 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.864 -6.277 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.957 -8.014 -2.477 1.00 0.00 H new ATOM 0 HG SER A 53 14.699 -6.140 -3.314 1.00 0.00 H new ATOM 788 N GLY A 54 9.438 -6.797 -3.509 1.00 0.00 N ATOM 789 CA GLY A 54 8.240 -7.126 -2.765 1.00 0.00 C ATOM 790 C GLY A 54 8.410 -6.769 -1.303 1.00 0.00 C ATOM 791 O GLY A 54 7.808 -7.377 -0.421 1.00 0.00 O ATOM 0 H GLY A 54 9.349 -6.014 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.388 -6.588 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.024 -8.190 -2.863 1.00 0.00 H new ATOM 795 N MET A 55 9.280 -5.805 -1.063 1.00 0.00 N ATOM 796 CA MET A 55 9.577 -5.329 0.268 1.00 0.00 C ATOM 797 C MET A 55 9.218 -3.858 0.358 1.00 0.00 C ATOM 798 O MET A 55 9.470 -3.095 -0.576 1.00 0.00 O ATOM 799 CB MET A 55 11.062 -5.529 0.578 1.00 0.00 C ATOM 800 CG MET A 55 11.389 -5.529 2.064 1.00 0.00 C ATOM 801 SD MET A 55 12.211 -7.046 2.599 1.00 0.00 S ATOM 802 CE MET A 55 13.333 -7.339 1.231 1.00 0.00 C ATOM 0 H MET A 55 9.804 -5.328 -1.797 1.00 0.00 H new ATOM 0 HA MET A 55 8.994 -5.892 0.997 1.00 0.00 H new ATOM 0 HB2 MET A 55 11.389 -6.474 0.144 1.00 0.00 H new ATOM 0 HB3 MET A 55 11.634 -4.740 0.090 1.00 0.00 H new ATOM 0 HG2 MET A 55 12.028 -4.675 2.291 1.00 0.00 H new ATOM 0 HG3 MET A 55 10.469 -5.399 2.634 1.00 0.00 H new ATOM 0 HE1 MET A 55 14.199 -7.899 1.584 1.00 0.00 H new ATOM 0 HE2 MET A 55 12.821 -7.911 0.457 1.00 0.00 H new ATOM 0 HE3 MET A 55 13.662 -6.385 0.819 1.00 0.00 H new ATOM 812 N ILE A 56 8.628 -3.466 1.468 1.00 0.00 N ATOM 813 CA ILE A 56 8.245 -2.074 1.668 1.00 0.00 C ATOM 814 C ILE A 56 9.349 -1.323 2.375 1.00 0.00 C ATOM 815 O ILE A 56 9.792 -1.731 3.452 1.00 0.00 O ATOM 816 CB ILE A 56 6.956 -1.896 2.499 1.00 0.00 C ATOM 817 CG1 ILE A 56 6.151 -3.197 2.592 1.00 0.00 C ATOM 818 CG2 ILE A 56 6.119 -0.770 1.911 1.00 0.00 C ATOM 819 CD1 ILE A 56 5.337 -3.512 1.363 1.00 0.00 C ATOM 0 H ILE A 56 8.402 -4.085 2.246 1.00 0.00 H new ATOM 0 HA ILE A 56 8.063 -1.680 0.668 1.00 0.00 H new ATOM 0 HB ILE A 56 7.240 -1.632 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.837 -4.023 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.482 -3.136 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.210 -0.647 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.692 0.157 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.855 -1.012 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.799 -4.448 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.623 -2.708 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.999 -3.608 0.503 1.00 0.00 H new ATOM 830 N LEU A 57 9.791 -0.235 1.775 1.00 0.00 N ATOM 831 CA LEU A 57 10.848 0.569 2.372 1.00 0.00 C ATOM 832 C LEU A 57 10.529 2.052 2.305 1.00 0.00 C ATOM 833 O LEU A 57 9.944 2.528 1.333 1.00 0.00 O ATOM 834 CB LEU A 57 12.182 0.310 1.672 1.00 0.00 C ATOM 835 CG LEU A 57 12.484 -1.158 1.391 1.00 0.00 C ATOM 836 CD1 LEU A 57 13.160 -1.310 0.043 1.00 0.00 C ATOM 837 CD2 LEU A 57 13.339 -1.744 2.501 1.00 0.00 C ATOM 0 H LEU A 57 9.441 0.113 0.883 1.00 0.00 H new ATOM 0 HA LEU A 57 10.921 0.276 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.193 0.855 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.984 0.720 2.286 1.00 0.00 H new ATOM 0 HG LEU A 57 11.545 -1.710 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.369 -2.364 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.504 -0.927 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.094 -0.749 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.546 -2.792 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.278 -1.195 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.807 -1.666 3.449 1.00 0.00 H new ATOM 849 N CYS A 58 11.055 2.793 3.273 1.00 0.00 N ATOM 850 CA CYS A 58 10.995 4.237 3.238 1.00 0.00 C ATOM 851 C CYS A 58 12.221 4.756 2.496 1.00 0.00 C ATOM 852 O CYS A 58 13.035 3.962 2.035 1.00 0.00 O ATOM 853 CB CYS A 58 10.940 4.801 4.660 1.00 0.00 C ATOM 854 SG CYS A 58 12.244 4.177 5.772 1.00 0.00 S ATOM 0 H CYS A 58 11.528 2.410 4.092 1.00 0.00 H new ATOM 0 HA CYS A 58 10.093 4.560 2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.012 5.887 4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.968 4.566 5.093 1.00 0.00 H new ATOM 0 HG CYS A 58 11.705 3.741 6.872 1.00 0.00 H new ATOM 859 N ARG A 59 12.393 6.067 2.432 1.00 0.00 N ATOM 860 CA ARG A 59 13.568 6.632 1.782 1.00 0.00 C ATOM 861 C ARG A 59 14.828 6.213 2.531 1.00 0.00 C ATOM 862 O ARG A 59 15.785 5.725 1.933 1.00 0.00 O ATOM 863 CB ARG A 59 13.473 8.160 1.713 1.00 0.00 C ATOM 864 CG ARG A 59 14.697 8.823 1.094 1.00 0.00 C ATOM 865 CD ARG A 59 14.863 8.449 -0.373 1.00 0.00 C ATOM 866 NE ARG A 59 16.030 9.094 -0.978 1.00 0.00 N ATOM 867 CZ ARG A 59 16.030 9.642 -2.197 1.00 0.00 C ATOM 868 NH1 ARG A 59 14.917 9.675 -2.915 1.00 0.00 N ATOM 869 NH2 ARG A 59 17.141 10.178 -2.691 1.00 0.00 N ATOM 0 H ARG A 59 11.744 6.753 2.816 1.00 0.00 H new ATOM 0 HA ARG A 59 13.616 6.250 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.591 8.434 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.329 8.552 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.609 9.906 1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 59 15.589 8.528 1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.961 7.367 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.966 8.734 -0.923 1.00 0.00 H new ATOM 0 HE ARG A 59 16.894 9.127 -0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.055 9.281 -2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.922 10.094 -3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.999 10.172 -2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.136 10.595 -3.622 1.00 0.00 H new ATOM 883 N ASN A 60 14.782 6.339 3.851 1.00 0.00 N ATOM 884 CA ASN A 60 15.900 5.958 4.705 1.00 0.00 C ATOM 885 C ASN A 60 16.161 4.456 4.637 1.00 0.00 C ATOM 886 O ASN A 60 17.313 4.019 4.555 1.00 0.00 O ATOM 887 CB ASN A 60 15.619 6.384 6.153 1.00 0.00 C ATOM 888 CG ASN A 60 16.218 5.443 7.185 1.00 0.00 C ATOM 889 OD1 ASN A 60 17.430 5.415 7.391 1.00 0.00 O ATOM 890 ND2 ASN A 60 15.368 4.669 7.846 1.00 0.00 N ATOM 0 H ASN A 60 13.976 6.705 4.357 1.00 0.00 H new ATOM 0 HA ASN A 60 16.794 6.469 4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.016 7.387 6.313 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.541 6.440 6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.713 4.021 8.554 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.369 4.722 7.646 1.00 0.00 H new ATOM 897 N ASP A 61 15.100 3.664 4.744 1.00 0.00 N ATOM 898 CA ASP A 61 15.248 2.215 4.812 1.00 0.00 C ATOM 899 C ASP A 61 15.567 1.621 3.446 1.00 0.00 C ATOM 900 O ASP A 61 16.178 0.556 3.358 1.00 0.00 O ATOM 901 CB ASP A 61 14.000 1.564 5.413 1.00 0.00 C ATOM 902 CG ASP A 61 14.069 1.515 6.930 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.205 1.501 7.474 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.015 1.448 7.601 1.00 0.00 O ATOM 0 H ASP A 61 14.137 3.997 4.785 1.00 0.00 H new ATOM 0 HA ASP A 61 16.092 2.002 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.115 2.121 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.892 0.553 5.020 1.00 0.00 H new ATOM 909 N TYR A 62 15.266 2.365 2.388 1.00 0.00 N ATOM 910 CA TYR A 62 15.643 1.955 1.041 1.00 0.00 C ATOM 911 C TYR A 62 17.160 1.983 0.897 1.00 0.00 C ATOM 912 O TYR A 62 17.760 1.025 0.428 1.00 0.00 O ATOM 913 CB TYR A 62 15.002 2.860 -0.013 1.00 0.00 C ATOM 914 CG TYR A 62 15.239 2.398 -1.436 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.439 1.419 -2.012 1.00 0.00 C ATOM 916 CD2 TYR A 62 16.266 2.936 -2.201 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.655 0.991 -3.309 1.00 0.00 C ATOM 918 CE2 TYR A 62 16.489 2.513 -3.498 1.00 0.00 C ATOM 919 CZ TYR A 62 15.682 1.540 -4.046 1.00 0.00 C ATOM 920 OH TYR A 62 15.899 1.116 -5.339 1.00 0.00 O ATOM 0 H TYR A 62 14.764 3.252 2.436 1.00 0.00 H new ATOM 0 HA TYR A 62 15.281 0.939 0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.929 2.911 0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 62 15.394 3.871 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.635 0.985 -1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 62 16.902 3.698 -1.775 1.00 0.00 H new ATOM 0 HE1 TYR A 62 14.022 0.230 -3.742 1.00 0.00 H new ATOM 0 HE2 TYR A 62 17.292 2.943 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 62 16.660 1.603 -5.720 1.00 0.00 H new ATOM 930 N ILE A 63 17.779 3.059 1.369 1.00 0.00 N ATOM 931 CA ILE A 63 19.234 3.181 1.335 1.00 0.00 C ATOM 932 C ILE A 63 19.874 2.209 2.323 1.00 0.00 C ATOM 933 O ILE A 63 21.030 1.818 2.176 1.00 0.00 O ATOM 934 CB ILE A 63 19.703 4.615 1.670 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.699 5.654 1.155 1.00 0.00 C ATOM 936 CG2 ILE A 63 21.087 4.873 1.096 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.691 5.832 -0.349 1.00 0.00 C ATOM 0 H ILE A 63 17.298 3.859 1.780 1.00 0.00 H new ATOM 0 HA ILE A 63 19.547 2.943 0.318 1.00 0.00 H new ATOM 0 HB ILE A 63 19.759 4.709 2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.699 5.365 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.920 6.615 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.400 5.888 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.795 4.162 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 63 21.059 4.755 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.952 6.585 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.677 6.154 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.438 4.885 -0.826 1.00 0.00 H new ATOM 948 N ARG A 64 19.105 1.823 3.327 1.00 0.00 N ATOM 949 CA ARG A 64 19.570 0.898 4.347 1.00 0.00 C ATOM 950 C ARG A 64 19.589 -0.536 3.813 1.00 0.00 C ATOM 951 O ARG A 64 20.550 -1.276 4.022 1.00 0.00 O ATOM 952 CB ARG A 64 18.661 1.006 5.579 1.00 0.00 C ATOM 953 CG ARG A 64 18.787 -0.145 6.565 1.00 0.00 C ATOM 954 CD ARG A 64 17.522 -0.988 6.596 1.00 0.00 C ATOM 955 NE ARG A 64 16.706 -0.721 7.779 1.00 0.00 N ATOM 956 CZ ARG A 64 16.476 -1.616 8.742 1.00 0.00 C ATOM 957 NH1 ARG A 64 16.976 -2.843 8.645 1.00 0.00 N ATOM 958 NH2 ARG A 64 15.739 -1.285 9.796 1.00 0.00 N ATOM 0 H ARG A 64 18.145 2.140 3.458 1.00 0.00 H new ATOM 0 HA ARG A 64 20.590 1.159 4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.885 1.938 6.098 1.00 0.00 H new ATOM 0 HB3 ARG A 64 17.625 1.069 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 64 19.636 -0.770 6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.989 0.248 7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.934 -0.790 5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 64 17.791 -2.044 6.574 1.00 0.00 H new ATOM 0 HE ARG A 64 16.287 0.204 7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.537 -3.102 7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.799 -3.526 9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.348 -0.346 9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.564 -1.970 10.531 1.00 0.00 H new ATOM 972 N LEU A 65 18.491 -0.944 3.194 1.00 0.00 N ATOM 973 CA LEU A 65 18.340 -2.320 2.741 1.00 0.00 C ATOM 974 C LEU A 65 18.837 -2.508 1.311 1.00 0.00 C ATOM 975 O LEU A 65 19.289 -3.593 0.942 1.00 0.00 O ATOM 976 CB LEU A 65 16.873 -2.740 2.834 1.00 0.00 C ATOM 977 CG LEU A 65 16.607 -3.984 3.676 1.00 0.00 C ATOM 978 CD1 LEU A 65 15.781 -3.630 4.903 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.899 -5.042 2.846 1.00 0.00 C ATOM 0 H LEU A 65 17.692 -0.343 2.994 1.00 0.00 H new ATOM 0 HA LEU A 65 18.949 -2.948 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.300 -1.911 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.497 -2.915 1.826 1.00 0.00 H new ATOM 0 HG LEU A 65 17.563 -4.387 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.601 -4.529 5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.322 -2.902 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.828 -3.204 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.716 -5.924 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.949 -4.647 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.524 -5.315 1.996 1.00 0.00 H new ATOM 991 N PHE A 66 18.661 -1.491 0.482 1.00 0.00 N ATOM 992 CA PHE A 66 18.996 -1.603 -0.931 1.00 0.00 C ATOM 993 C PHE A 66 19.927 -0.486 -1.372 1.00 0.00 C ATOM 994 O PHE A 66 20.014 -0.181 -2.561 1.00 0.00 O ATOM 995 CB PHE A 66 17.725 -1.583 -1.782 1.00 0.00 C ATOM 996 CG PHE A 66 16.953 -2.867 -1.718 1.00 0.00 C ATOM 997 CD1 PHE A 66 17.276 -3.926 -2.548 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.915 -3.016 -0.817 1.00 0.00 C ATOM 999 CE1 PHE A 66 16.572 -5.111 -2.480 1.00 0.00 C ATOM 1000 CE2 PHE A 66 15.210 -4.197 -0.743 1.00 0.00 C ATOM 1001 CZ PHE A 66 15.538 -5.246 -1.574 1.00 0.00 C ATOM 0 H PHE A 66 18.290 -0.582 0.760 1.00 0.00 H new ATOM 0 HA PHE A 66 19.512 -2.553 -1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.086 -0.765 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.992 -1.378 -2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 66 18.086 -3.824 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.654 -2.197 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.829 -5.931 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 66 14.401 -4.301 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.987 -6.173 -1.517 1.00 0.00 H new ATOM 1011 N GLY A 67 20.687 0.060 -0.426 1.00 0.00 N ATOM 1012 CA GLY A 67 21.677 1.062 -0.767 1.00 0.00 C ATOM 1013 C GLY A 67 22.764 0.470 -1.637 1.00 0.00 C ATOM 1014 O GLY A 67 23.262 1.109 -2.563 1.00 0.00 O ATOM 0 H GLY A 67 20.634 -0.173 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 67 21.198 1.890 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 67 22.116 1.471 0.143 1.00 0.00 H new ATOM 1424 N GLU A 102 11.218 6.135 -6.440 1.00 0.00 N ATOM 1425 CA GLU A 102 10.101 6.564 -5.612 1.00 0.00 C ATOM 1426 C GLU A 102 8.802 6.516 -6.403 1.00 0.00 C ATOM 1427 O GLU A 102 8.676 7.132 -7.465 1.00 0.00 O ATOM 1428 CB GLU A 102 10.340 7.972 -5.061 1.00 0.00 C ATOM 1429 CG GLU A 102 11.021 8.911 -6.041 1.00 0.00 C ATOM 1430 CD GLU A 102 10.154 10.100 -6.404 1.00 0.00 C ATOM 1431 OE1 GLU A 102 9.207 10.407 -5.652 1.00 0.00 O ATOM 1432 OE2 GLU A 102 10.412 10.735 -7.452 1.00 0.00 O ATOM 0 HA GLU A 102 10.020 5.878 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.383 8.403 -4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.949 7.900 -4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.956 9.266 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.277 8.362 -6.947 1.00 0.00 H new ATOM 1439 N ARG A 103 7.874 5.716 -5.918 1.00 0.00 N ATOM 1440 CA ARG A 103 6.603 5.518 -6.583 1.00 0.00 C ATOM 1441 C ARG A 103 5.549 6.473 -6.022 1.00 0.00 C ATOM 1442 O ARG A 103 5.848 7.625 -5.715 1.00 0.00 O ATOM 1443 CB ARG A 103 6.156 4.060 -6.440 1.00 0.00 C ATOM 1444 CG ARG A 103 5.818 3.393 -7.763 1.00 0.00 C ATOM 1445 CD ARG A 103 7.040 3.244 -8.655 1.00 0.00 C ATOM 1446 NE ARG A 103 7.972 2.231 -8.156 1.00 0.00 N ATOM 1447 CZ ARG A 103 9.251 2.154 -8.523 1.00 0.00 C ATOM 1448 NH1 ARG A 103 9.738 2.993 -9.431 1.00 0.00 N ATOM 1449 NH2 ARG A 103 10.044 1.224 -8.003 1.00 0.00 N ATOM 0 H ARG A 103 7.980 5.186 -5.053 1.00 0.00 H new ATOM 0 HA ARG A 103 6.722 5.738 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.947 3.493 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.283 4.019 -5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.386 2.411 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.060 3.980 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.721 2.976 -9.662 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.553 4.203 -8.727 1.00 0.00 H new ATOM 0 HE ARG A 103 7.622 1.544 -7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.133 3.699 -9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.717 2.931 -9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.675 0.564 -7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.022 1.170 -8.288 1.00 0.00 H new ATOM 1463 N LEU A 104 4.308 6.021 -5.958 1.00 0.00 N ATOM 1464 CA LEU A 104 3.201 6.879 -5.552 1.00 0.00 C ATOM 1465 C LEU A 104 2.547 6.412 -4.250 1.00 0.00 C ATOM 1466 O LEU A 104 2.408 5.219 -4.003 1.00 0.00 O ATOM 1467 CB LEU A 104 2.133 6.976 -6.667 1.00 0.00 C ATOM 1468 CG LEU A 104 1.991 5.790 -7.648 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.067 5.820 -8.720 1.00 0.00 C ATOM 1470 CD2 LEU A 104 1.997 4.447 -6.934 1.00 0.00 C ATOM 0 H LEU A 104 4.039 5.063 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 104 3.627 7.867 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.166 7.130 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.345 7.870 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 104 1.020 5.906 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.936 4.971 -9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.989 6.747 -9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.049 5.763 -8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.895 3.646 -7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.936 4.327 -6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.165 4.405 -6.231 1.00 0.00 H new ATOM 1482 N ILE A 105 2.027 7.363 -3.493 1.00 0.00 N ATOM 1483 CA ILE A 105 1.207 7.060 -2.327 1.00 0.00 C ATOM 1484 C ILE A 105 -0.010 7.977 -2.331 1.00 0.00 C ATOM 1485 O ILE A 105 0.127 9.198 -2.331 1.00 0.00 O ATOM 1486 CB ILE A 105 1.985 7.217 -0.994 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.768 5.944 -0.682 1.00 0.00 C ATOM 1488 CG2 ILE A 105 1.053 7.561 0.167 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.924 6.169 0.266 1.00 0.00 C ATOM 0 H ILE A 105 2.158 8.360 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 105 0.903 6.015 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 105 2.683 8.045 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.091 5.207 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.147 5.522 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.635 7.663 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.541 8.500 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.317 6.766 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.437 5.224 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.621 6.883 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.549 6.562 1.211 1.00 0.00 H new ATOM 1500 N THR A 106 -1.193 7.399 -2.413 1.00 0.00 N ATOM 1501 CA THR A 106 -2.407 8.189 -2.479 1.00 0.00 C ATOM 1502 C THR A 106 -2.962 8.437 -1.084 1.00 0.00 C ATOM 1503 O THR A 106 -3.783 7.669 -0.578 1.00 0.00 O ATOM 1504 CB THR A 106 -3.469 7.494 -3.347 1.00 0.00 C ATOM 1505 OG1 THR A 106 -2.827 6.626 -4.295 1.00 0.00 O ATOM 1506 CG2 THR A 106 -4.331 8.506 -4.081 1.00 0.00 C ATOM 0 H THR A 106 -1.339 6.390 -2.435 1.00 0.00 H new ATOM 0 HA THR A 106 -2.157 9.146 -2.936 1.00 0.00 H new ATOM 0 HB THR A 106 -4.115 6.911 -2.691 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.507 5.821 -3.837 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.072 7.983 -4.686 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.839 9.144 -3.358 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.702 9.119 -4.727 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.489 9.497 -0.455 1.00 0.00 N ATOM 1515 CA ARG A 107 -2.946 9.860 0.873 1.00 0.00 C ATOM 1516 C ARG A 107 -4.055 10.890 0.764 1.00 0.00 C ATOM 1517 O ARG A 107 -3.809 12.088 0.872 1.00 0.00 O ATOM 1518 CB ARG A 107 -1.787 10.428 1.699 1.00 0.00 C ATOM 1519 CG ARG A 107 -1.674 9.844 3.098 1.00 0.00 C ATOM 1520 CD ARG A 107 -3.032 9.696 3.772 1.00 0.00 C ATOM 1521 NE ARG A 107 -3.377 10.859 4.591 1.00 0.00 N ATOM 1522 CZ ARG A 107 -2.829 11.130 5.780 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -1.838 10.378 6.246 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -3.259 12.167 6.491 1.00 0.00 N ATOM 0 H ARG A 107 -1.785 10.124 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.326 8.969 1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.853 10.248 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.907 11.509 1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.189 8.869 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.036 10.485 3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.799 9.550 3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.029 8.803 4.397 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.081 11.504 4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.493 9.591 5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.422 10.587 7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.008 12.758 6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.840 12.372 7.398 1.00 0.00 H new ATOM 1538 N LEU A 108 -5.265 10.424 0.510 1.00 0.00 N ATOM 1539 CA LEU A 108 -6.395 11.321 0.358 1.00 0.00 C ATOM 1540 C LEU A 108 -7.520 10.938 1.306 1.00 0.00 C ATOM 1541 O LEU A 108 -8.267 9.987 1.059 1.00 0.00 O ATOM 1542 CB LEU A 108 -6.894 11.314 -1.087 1.00 0.00 C ATOM 1543 CG LEU A 108 -6.476 12.524 -1.922 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -6.477 12.176 -3.400 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -7.393 13.708 -1.649 1.00 0.00 C ATOM 0 H LEU A 108 -5.489 9.434 0.405 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.064 12.329 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.530 10.411 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.982 11.256 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.463 12.805 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.177 13.049 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.776 11.361 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.478 11.868 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.078 14.559 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.418 13.441 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.340 13.973 -0.593 1.00 0.00 H new ATOM 1557 N GLU A 109 -7.636 11.700 2.379 1.00 0.00 N ATOM 1558 CA GLU A 109 -8.681 11.500 3.365 1.00 0.00 C ATOM 1559 C GLU A 109 -10.006 12.019 2.826 1.00 0.00 C ATOM 1560 O GLU A 109 -10.029 12.887 1.954 1.00 0.00 O ATOM 1561 CB GLU A 109 -8.329 12.229 4.663 1.00 0.00 C ATOM 1562 CG GLU A 109 -6.970 11.849 5.228 1.00 0.00 C ATOM 1563 CD GLU A 109 -5.878 12.811 4.813 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -5.475 12.789 3.636 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -5.398 13.580 5.664 1.00 0.00 O ATOM 0 H GLU A 109 -7.008 12.475 2.591 1.00 0.00 H new ATOM 0 HA GLU A 109 -8.770 10.434 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.350 13.304 4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.095 12.016 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.028 11.819 6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -6.710 10.844 4.895 1.00 0.00 H new