USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=25 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 36 SER OG : rot 170:sc= -1.02 USER MOD Set 1.2: A 55 MET CE :methyl 153:sc= -0.333 (180deg=-1.4!) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 150:sc= 1.28 (180deg=0) USER MOD Set 2.2: A 62 TYR OH : rot 180:sc= 1.03 USER MOD Set 3.1: A 35 CYS SG : rot 143:sc= -2.64! USER MOD Set 3.2: A 38 CYS SG : rot -70:sc= 0.323 USER MOD Set 3.3: A 58 CYS SG : rot -59:sc= 0.737 USER MOD Set 4.1: A 8 CYS SG : rot 141:sc= 2.41 USER MOD Set 4.2: A 11 CYS SG : rot -41:sc= 0.684 USER MOD Set 4.3: A 29 HIS : no HD1:sc= -0.325 K(o=-0.49,f=-3.1) USER MOD Set 4.4: A 32 CYS SG : rot 149:sc= -3.26! USER MOD Set 5.1: A 24 MET CE :methyl -162:sc= -0.293 (180deg=-0.699) USER MOD Set 5.2: A 51 THR OG1 : rot -161:sc= 0.00942 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0243) USER MOD Single : A 22 TYR OH : rot 180:sc= 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= 0.131 USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0.0918 (180deg=0.0871) USER MOD Single : A 37 SER OG : rot -135:sc= 0.419 USER MOD Single : A 39 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.709 K(o=-0.71,f=-2.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.954 USER MOD Single : A 48 SER OG : rot 84:sc= 0.101 USER MOD Single : A 49 SER OG : rot 150:sc= -3.16! USER MOD Single : A 50 TYR OH : rot 47:sc= 1.04 USER MOD Single : A 53 SER OG : rot 125:sc= 0.101 USER MOD Single : A 60 ASN : amide:sc=-0.00821 X(o=-0.0082,f=-0.043) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -10.692 -1.620 -0.332 1.00 0.00 N ATOM 98 CA ARG A 7 -10.200 -2.765 0.404 1.00 0.00 C ATOM 99 C ARG A 7 -8.702 -2.624 0.632 1.00 0.00 C ATOM 100 O ARG A 7 -7.983 -2.110 -0.222 1.00 0.00 O ATOM 101 CB ARG A 7 -10.533 -4.067 -0.338 1.00 0.00 C ATOM 102 CG ARG A 7 -9.475 -4.512 -1.339 1.00 0.00 C ATOM 103 CD ARG A 7 -8.855 -5.856 -0.968 1.00 0.00 C ATOM 104 NE ARG A 7 -9.401 -6.419 0.270 1.00 0.00 N ATOM 105 CZ ARG A 7 -10.344 -7.363 0.308 1.00 0.00 C ATOM 106 NH1 ARG A 7 -10.916 -7.784 -0.818 1.00 0.00 N ATOM 107 NH2 ARG A 7 -10.719 -7.879 1.471 1.00 0.00 N ATOM 0 HA ARG A 7 -10.693 -2.806 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.678 -4.861 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.480 -3.940 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.923 -4.582 -2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.691 -3.756 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.017 -6.561 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.777 -5.735 -0.861 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.038 -6.068 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.634 -7.385 -1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.636 -8.506 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.287 -7.554 2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.440 -8.600 1.500 1.00 0.00 H new ATOM 121 N CYS A 8 -8.266 -2.981 1.824 1.00 0.00 N ATOM 122 CA CYS A 8 -6.883 -2.830 2.225 1.00 0.00 C ATOM 123 C CYS A 8 -6.018 -3.949 1.668 1.00 0.00 C ATOM 124 O CYS A 8 -6.443 -5.104 1.580 1.00 0.00 O ATOM 125 CB CYS A 8 -6.804 -2.831 3.748 1.00 0.00 C ATOM 126 SG CYS A 8 -5.192 -2.348 4.444 1.00 0.00 S ATOM 0 H CYS A 8 -8.864 -3.386 2.544 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.508 -1.887 1.827 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.566 -2.154 4.135 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.052 -3.830 4.108 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.378 -1.608 5.497 1.00 0.00 H new ATOM 131 N ALA A 9 -4.768 -3.615 1.414 1.00 0.00 N ATOM 132 CA ALA A 9 -3.779 -4.593 1.015 1.00 0.00 C ATOM 133 C ALA A 9 -2.741 -4.749 2.120 1.00 0.00 C ATOM 134 O ALA A 9 -1.817 -5.557 2.015 1.00 0.00 O ATOM 135 CB ALA A 9 -3.122 -4.184 -0.295 1.00 0.00 C ATOM 0 H ALA A 9 -4.412 -2.661 1.478 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.269 -5.554 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.381 -4.931 -0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.880 -4.110 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.633 -3.218 -0.171 1.00 0.00 H new ATOM 141 N GLY A 10 -2.928 -3.990 3.198 1.00 0.00 N ATOM 142 CA GLY A 10 -2.025 -4.055 4.330 1.00 0.00 C ATOM 143 C GLY A 10 -2.489 -5.050 5.369 1.00 0.00 C ATOM 144 O GLY A 10 -1.820 -6.058 5.613 1.00 0.00 O ATOM 0 H GLY A 10 -3.696 -3.327 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.029 -4.331 3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.942 -3.068 4.785 1.00 0.00 H new ATOM 148 N CYS A 11 -3.688 -4.836 5.899 1.00 0.00 N ATOM 149 CA CYS A 11 -4.272 -5.793 6.822 1.00 0.00 C ATOM 150 C CYS A 11 -5.163 -6.763 6.056 1.00 0.00 C ATOM 151 O CYS A 11 -5.127 -7.972 6.294 1.00 0.00 O ATOM 152 CB CYS A 11 -5.039 -5.093 7.956 1.00 0.00 C ATOM 153 SG CYS A 11 -6.447 -4.056 7.436 1.00 0.00 S ATOM 0 H CYS A 11 -4.266 -4.018 5.707 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.468 -6.357 7.295 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.407 -5.854 8.645 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.339 -4.470 8.513 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.123 -3.388 6.369 1.00 0.00 H new ATOM 158 N GLY A 12 -5.806 -6.252 5.013 1.00 0.00 N ATOM 159 CA GLY A 12 -6.528 -7.112 4.101 1.00 0.00 C ATOM 160 C GLY A 12 -8.032 -6.968 4.194 1.00 0.00 C ATOM 161 O GLY A 12 -8.762 -7.570 3.408 1.00 0.00 O ATOM 0 H GLY A 12 -5.839 -5.258 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.213 -6.892 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.258 -8.149 4.302 1.00 0.00 H new ATOM 165 N GLY A 13 -8.509 -6.151 5.123 1.00 0.00 N ATOM 166 CA GLY A 13 -9.923 -5.971 5.261 1.00 0.00 C ATOM 167 C GLY A 13 -10.466 -4.942 4.304 1.00 0.00 C ATOM 168 O GLY A 13 -9.862 -4.640 3.275 1.00 0.00 O ATOM 0 H GLY A 13 -7.937 -5.616 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.426 -6.923 5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.150 -5.668 6.283 1.00 0.00 H new ATOM 172 N LYS A 14 -11.579 -4.373 4.679 1.00 0.00 N ATOM 173 CA LYS A 14 -12.202 -3.305 3.914 1.00 0.00 C ATOM 174 C LYS A 14 -11.949 -1.966 4.583 1.00 0.00 C ATOM 175 O LYS A 14 -11.815 -1.892 5.806 1.00 0.00 O ATOM 176 CB LYS A 14 -13.702 -3.555 3.758 1.00 0.00 C ATOM 177 CG LYS A 14 -14.091 -4.053 2.375 1.00 0.00 C ATOM 178 CD LYS A 14 -13.440 -5.389 2.049 1.00 0.00 C ATOM 179 CE LYS A 14 -14.448 -6.374 1.482 1.00 0.00 C ATOM 180 NZ LYS A 14 -15.393 -6.855 2.523 1.00 0.00 N ATOM 0 H LYS A 14 -12.088 -4.631 5.524 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.758 -3.287 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.020 -4.285 4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.241 -2.631 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.175 -4.154 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.799 -3.315 1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.634 -5.237 1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.990 -5.805 2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.006 -5.899 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.921 -7.224 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.953 -7.645 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.859 -7.176 3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.030 -6.080 2.799 1.00 0.00 H new ATOM 194 N ILE A 15 -11.874 -0.916 3.788 1.00 0.00 N ATOM 195 CA ILE A 15 -11.630 0.412 4.315 1.00 0.00 C ATOM 196 C ILE A 15 -12.925 1.209 4.414 1.00 0.00 C ATOM 197 O ILE A 15 -13.427 1.738 3.419 1.00 0.00 O ATOM 198 CB ILE A 15 -10.617 1.192 3.451 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.619 0.223 2.804 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.903 2.236 4.302 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.333 0.872 2.348 1.00 0.00 C ATOM 0 H ILE A 15 -11.979 -0.957 2.774 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.210 0.282 5.312 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.147 1.711 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.382 -0.566 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.096 -0.254 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.190 2.782 3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.634 2.932 4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.374 1.741 5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.683 0.119 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.556 1.642 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.831 1.324 3.203 1.00 0.00 H new ATOM 212 N ALA A 16 -13.414 1.357 5.634 1.00 0.00 N ATOM 213 CA ALA A 16 -14.584 2.180 5.896 1.00 0.00 C ATOM 214 C ALA A 16 -14.184 3.357 6.759 1.00 0.00 C ATOM 215 O ALA A 16 -15.025 4.072 7.306 1.00 0.00 O ATOM 216 CB ALA A 16 -15.685 1.373 6.565 1.00 0.00 C ATOM 0 H ALA A 16 -13.017 0.915 6.463 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.978 2.545 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.547 2.015 6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.978 0.549 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.321 0.976 7.512 1.00 0.00 H new ATOM 222 N ASP A 17 -12.883 3.560 6.851 1.00 0.00 N ATOM 223 CA ASP A 17 -12.329 4.665 7.604 1.00 0.00 C ATOM 224 C ASP A 17 -12.418 5.944 6.794 1.00 0.00 C ATOM 225 O ASP A 17 -12.755 5.918 5.606 1.00 0.00 O ATOM 226 CB ASP A 17 -10.873 4.384 7.972 1.00 0.00 C ATOM 227 CG ASP A 17 -10.731 3.904 9.398 1.00 0.00 C ATOM 228 OD1 ASP A 17 -10.645 4.754 10.309 1.00 0.00 O ATOM 229 OD2 ASP A 17 -10.721 2.674 9.616 1.00 0.00 O ATOM 0 H ASP A 17 -12.184 2.965 6.407 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.906 4.782 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.467 3.633 7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.283 5.290 7.834 1.00 0.00 H new ATOM 234 N ARG A 18 -12.077 7.050 7.425 1.00 0.00 N ATOM 235 CA ARG A 18 -12.075 8.337 6.761 1.00 0.00 C ATOM 236 C ARG A 18 -10.702 8.603 6.164 1.00 0.00 C ATOM 237 O ARG A 18 -10.568 9.262 5.133 1.00 0.00 O ATOM 238 CB ARG A 18 -12.443 9.432 7.764 1.00 0.00 C ATOM 239 CG ARG A 18 -12.561 10.816 7.158 1.00 0.00 C ATOM 240 CD ARG A 18 -13.361 11.740 8.059 1.00 0.00 C ATOM 241 NE ARG A 18 -14.780 11.380 8.097 1.00 0.00 N ATOM 242 CZ ARG A 18 -15.730 12.010 7.406 1.00 0.00 C ATOM 243 NH1 ARG A 18 -15.411 12.998 6.580 1.00 0.00 N ATOM 244 NH2 ARG A 18 -17.000 11.642 7.523 1.00 0.00 N ATOM 0 H ARG A 18 -11.796 7.082 8.405 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.811 8.335 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.390 9.173 8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.690 9.456 8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.566 11.232 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.041 10.749 6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.951 11.705 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.257 12.767 7.708 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.059 10.598 8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.436 13.278 6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.141 13.478 6.053 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.253 10.874 8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.723 12.128 6.992 1.00 0.00 H new ATOM 258 N PHE A 19 -9.687 8.070 6.824 1.00 0.00 N ATOM 259 CA PHE A 19 -8.312 8.214 6.379 1.00 0.00 C ATOM 260 C PHE A 19 -7.859 6.944 5.674 1.00 0.00 C ATOM 261 O PHE A 19 -7.768 5.880 6.290 1.00 0.00 O ATOM 262 CB PHE A 19 -7.401 8.498 7.579 1.00 0.00 C ATOM 263 CG PHE A 19 -7.410 9.931 8.039 1.00 0.00 C ATOM 264 CD1 PHE A 19 -8.569 10.689 7.988 1.00 0.00 C ATOM 265 CD2 PHE A 19 -6.254 10.517 8.529 1.00 0.00 C ATOM 266 CE1 PHE A 19 -8.576 12.000 8.414 1.00 0.00 C ATOM 267 CE2 PHE A 19 -6.256 11.830 8.957 1.00 0.00 C ATOM 268 CZ PHE A 19 -7.418 12.573 8.900 1.00 0.00 C ATOM 0 H PHE A 19 -9.793 7.527 7.681 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.251 9.049 5.681 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.704 7.860 8.409 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.380 8.219 7.319 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.479 10.247 7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.342 9.941 8.577 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.487 12.578 8.368 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.348 12.276 9.336 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.421 13.600 9.235 1.00 0.00 H new ATOM 278 N LEU A 20 -7.612 7.047 4.377 1.00 0.00 N ATOM 279 CA LEU A 20 -7.199 5.895 3.590 1.00 0.00 C ATOM 280 C LEU A 20 -6.143 6.294 2.564 1.00 0.00 C ATOM 281 O LEU A 20 -5.999 7.475 2.228 1.00 0.00 O ATOM 282 CB LEU A 20 -8.414 5.257 2.902 1.00 0.00 C ATOM 283 CG LEU A 20 -8.523 5.483 1.391 1.00 0.00 C ATOM 284 CD1 LEU A 20 -8.377 4.167 0.644 1.00 0.00 C ATOM 285 CD2 LEU A 20 -9.846 6.145 1.049 1.00 0.00 C ATOM 0 H LEU A 20 -7.690 7.915 3.848 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.756 5.158 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.390 4.183 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.318 5.642 3.374 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.715 6.146 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.457 4.346 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.405 3.728 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.165 3.482 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.908 6.299 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.667 5.505 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.914 7.107 1.557 1.00 0.00 H new ATOM 297 N LEU A 21 -5.399 5.309 2.081 1.00 0.00 N ATOM 298 CA LEU A 21 -4.349 5.545 1.107 1.00 0.00 C ATOM 299 C LEU A 21 -4.570 4.708 -0.146 1.00 0.00 C ATOM 300 O LEU A 21 -4.999 3.558 -0.068 1.00 0.00 O ATOM 301 CB LEU A 21 -2.989 5.202 1.714 1.00 0.00 C ATOM 302 CG LEU A 21 -1.839 6.114 1.288 1.00 0.00 C ATOM 303 CD1 LEU A 21 -0.890 6.347 2.446 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.093 5.520 0.105 1.00 0.00 C ATOM 0 H LEU A 21 -5.507 4.332 2.352 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.373 6.599 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.075 5.235 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.737 4.176 1.445 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.259 7.073 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.077 6.998 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.429 6.817 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.481 5.393 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.278 6.185 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.687 4.547 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.778 5.401 -0.735 1.00 0.00 H new ATOM 316 N TYR A 22 -4.184 5.263 -1.280 1.00 0.00 N ATOM 317 CA TYR A 22 -4.206 4.545 -2.542 1.00 0.00 C ATOM 318 C TYR A 22 -2.769 4.334 -3.011 1.00 0.00 C ATOM 319 O TYR A 22 -2.023 5.300 -3.173 1.00 0.00 O ATOM 320 CB TYR A 22 -4.995 5.322 -3.607 1.00 0.00 C ATOM 321 CG TYR A 22 -6.164 6.127 -3.071 1.00 0.00 C ATOM 322 CD1 TYR A 22 -7.392 5.527 -2.828 1.00 0.00 C ATOM 323 CD2 TYR A 22 -6.041 7.490 -2.820 1.00 0.00 C ATOM 324 CE1 TYR A 22 -8.462 6.260 -2.346 1.00 0.00 C ATOM 325 CE2 TYR A 22 -7.105 8.229 -2.341 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.312 7.610 -2.105 1.00 0.00 C ATOM 327 OH TYR A 22 -9.375 8.345 -1.627 1.00 0.00 O ATOM 0 H TYR A 22 -3.847 6.223 -1.353 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.700 3.584 -2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.313 5.998 -4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.368 4.617 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.514 4.471 -3.018 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.096 7.979 -3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.410 5.778 -2.159 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.991 9.286 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.101 9.279 -1.511 1.00 0.00 H new ATOM 337 N ALA A 23 -2.354 3.083 -3.125 1.00 0.00 N ATOM 338 CA ALA A 23 -0.979 2.767 -3.488 1.00 0.00 C ATOM 339 C ALA A 23 -0.915 1.494 -4.321 1.00 0.00 C ATOM 340 O ALA A 23 -1.537 0.488 -3.968 1.00 0.00 O ATOM 341 CB ALA A 23 -0.125 2.621 -2.237 1.00 0.00 C ATOM 0 H ALA A 23 -2.948 2.268 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.588 3.588 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.900 2.385 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.140 3.555 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.523 1.818 -1.616 1.00 0.00 H new ATOM 347 N MET A 24 -0.192 1.561 -5.442 1.00 0.00 N ATOM 348 CA MET A 24 -0.049 0.426 -6.361 1.00 0.00 C ATOM 349 C MET A 24 -1.389 0.056 -6.980 1.00 0.00 C ATOM 350 O MET A 24 -1.663 -1.121 -7.231 1.00 0.00 O ATOM 351 CB MET A 24 0.542 -0.788 -5.645 1.00 0.00 C ATOM 352 CG MET A 24 2.026 -0.987 -5.891 1.00 0.00 C ATOM 353 SD MET A 24 2.622 -2.556 -5.236 1.00 0.00 S ATOM 354 CE MET A 24 2.281 -2.339 -3.489 1.00 0.00 C ATOM 0 H MET A 24 0.309 2.399 -5.738 1.00 0.00 H new ATOM 0 HA MET A 24 0.633 0.731 -7.155 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.373 -0.683 -4.573 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.008 -1.682 -5.966 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.224 -0.944 -6.962 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.581 -0.169 -5.431 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.864 -3.057 -2.912 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.552 -1.327 -3.188 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.219 -2.501 -3.303 1.00 0.00 H new ATOM 364 N ASP A 25 -2.250 1.059 -7.125 1.00 0.00 N ATOM 365 CA ASP A 25 -3.612 0.877 -7.634 1.00 0.00 C ATOM 366 C ASP A 25 -4.440 0.021 -6.683 1.00 0.00 C ATOM 367 O ASP A 25 -5.551 -0.394 -7.007 1.00 0.00 O ATOM 368 CB ASP A 25 -3.612 0.276 -9.044 1.00 0.00 C ATOM 369 CG ASP A 25 -3.849 1.320 -10.119 1.00 0.00 C ATOM 370 OD1 ASP A 25 -3.768 2.529 -9.816 1.00 0.00 O ATOM 371 OD2 ASP A 25 -4.118 0.937 -11.278 1.00 0.00 O ATOM 0 H ASP A 25 -2.025 2.026 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.071 1.864 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.657 -0.218 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.385 -0.490 -9.109 1.00 0.00 H new ATOM 376 N SER A 26 -3.941 -0.132 -5.465 1.00 0.00 N ATOM 377 CA SER A 26 -4.674 -0.807 -4.409 1.00 0.00 C ATOM 378 C SER A 26 -4.899 0.166 -3.262 1.00 0.00 C ATOM 379 O SER A 26 -4.319 1.249 -3.246 1.00 0.00 O ATOM 380 CB SER A 26 -3.904 -2.039 -3.921 1.00 0.00 C ATOM 381 OG SER A 26 -2.869 -2.384 -4.827 1.00 0.00 O ATOM 0 H SER A 26 -3.021 0.207 -5.184 1.00 0.00 H new ATOM 0 HA SER A 26 -5.636 -1.144 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.479 -1.840 -2.937 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.589 -2.879 -3.809 1.00 0.00 H new ATOM 0 HG SER A 26 -2.391 -3.172 -4.493 1.00 0.00 H new ATOM 387 N TYR A 27 -5.756 -0.190 -2.325 1.00 0.00 N ATOM 388 CA TYR A 27 -6.049 0.698 -1.213 1.00 0.00 C ATOM 389 C TYR A 27 -5.496 0.127 0.087 1.00 0.00 C ATOM 390 O TYR A 27 -5.245 -1.073 0.190 1.00 0.00 O ATOM 391 CB TYR A 27 -7.553 0.964 -1.116 1.00 0.00 C ATOM 392 CG TYR A 27 -8.170 1.411 -2.429 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.462 2.212 -3.319 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.450 1.017 -2.786 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.014 2.606 -4.522 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.007 1.403 -3.991 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.285 2.197 -4.853 1.00 0.00 C ATOM 398 OH TYR A 27 -9.835 2.575 -6.057 1.00 0.00 O ATOM 0 H TYR A 27 -6.258 -1.078 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.557 1.654 -1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.054 0.057 -0.777 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.732 1.728 -0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.462 2.532 -3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.022 0.398 -2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.451 3.232 -5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.004 1.083 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.738 2.201 -6.136 1.00 0.00 H new ATOM 408 N TRP A 28 -5.162 1.020 1.006 1.00 0.00 N ATOM 409 CA TRP A 28 -4.483 0.660 2.245 1.00 0.00 C ATOM 410 C TRP A 28 -5.007 1.516 3.392 1.00 0.00 C ATOM 411 O TRP A 28 -5.582 2.585 3.163 1.00 0.00 O ATOM 412 CB TRP A 28 -2.964 0.899 2.135 1.00 0.00 C ATOM 413 CG TRP A 28 -2.270 0.210 0.992 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.393 0.491 -0.340 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.302 -0.843 1.087 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.586 -0.340 -1.078 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.902 -1.164 -0.222 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.742 -1.549 2.156 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.035 -2.160 -0.493 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.188 -2.536 1.886 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.568 -2.833 0.573 1.00 0.00 C ATOM 0 H TRP A 28 -5.354 2.018 0.915 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.676 -0.397 2.430 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.790 1.971 2.046 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.497 0.576 3.066 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.033 1.257 -0.753 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.508 -0.344 -2.095 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.030 -1.328 3.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.329 -2.392 -1.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.629 -3.087 2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.297 -3.610 0.397 1.00 0.00 H new ATOM 432 N HIS A 29 -4.593 1.170 4.600 1.00 0.00 N ATOM 433 CA HIS A 29 -4.812 2.033 5.750 1.00 0.00 C ATOM 434 C HIS A 29 -3.552 2.858 5.987 1.00 0.00 C ATOM 435 O HIS A 29 -2.499 2.551 5.427 1.00 0.00 O ATOM 436 CB HIS A 29 -5.154 1.216 6.998 1.00 0.00 C ATOM 437 CG HIS A 29 -6.566 0.715 7.030 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.861 -0.619 6.907 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.726 1.404 7.178 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.174 -0.723 6.979 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.745 0.482 7.143 1.00 0.00 N ATOM 0 H HIS A 29 -4.104 0.300 4.810 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.657 2.691 5.548 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.476 0.365 7.060 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.977 1.830 7.881 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.829 2.472 7.300 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.718 -1.654 6.915 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.743 0.676 7.226 1.00 0.00 H new ATOM 449 N SER A 30 -3.671 3.927 6.760 1.00 0.00 N ATOM 450 CA SER A 30 -2.555 4.839 6.981 1.00 0.00 C ATOM 451 C SER A 30 -1.329 4.127 7.555 1.00 0.00 C ATOM 452 O SER A 30 -0.205 4.347 7.096 1.00 0.00 O ATOM 453 CB SER A 30 -2.990 5.973 7.904 1.00 0.00 C ATOM 454 OG SER A 30 -4.389 5.931 8.146 1.00 0.00 O ATOM 0 H SER A 30 -4.530 4.186 7.246 1.00 0.00 H new ATOM 0 HA SER A 30 -2.264 5.245 6.012 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.453 5.902 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.724 6.931 7.457 1.00 0.00 H new ATOM 0 HG SER A 30 -4.640 6.668 8.742 1.00 0.00 H new ATOM 460 N ARG A 31 -1.538 3.281 8.556 1.00 0.00 N ATOM 461 CA ARG A 31 -0.433 2.559 9.175 1.00 0.00 C ATOM 462 C ARG A 31 -0.327 1.139 8.627 1.00 0.00 C ATOM 463 O ARG A 31 0.613 0.416 8.946 1.00 0.00 O ATOM 464 CB ARG A 31 -0.577 2.528 10.698 1.00 0.00 C ATOM 465 CG ARG A 31 0.760 2.554 11.427 1.00 0.00 C ATOM 466 CD ARG A 31 0.842 1.482 12.504 1.00 0.00 C ATOM 467 NE ARG A 31 0.190 0.238 12.098 1.00 0.00 N ATOM 468 CZ ARG A 31 0.843 -0.867 11.733 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.170 -0.909 11.773 1.00 0.00 N ATOM 470 NH2 ARG A 31 0.165 -1.934 11.328 1.00 0.00 N ATOM 0 H ARG A 31 -2.455 3.079 8.954 1.00 0.00 H new ATOM 0 HA ARG A 31 0.484 3.093 8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.175 3.382 11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.124 1.630 10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.567 2.409 10.709 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.907 3.535 11.879 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.888 1.283 12.736 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.377 1.852 13.418 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.830 0.213 12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.697 -0.093 12.084 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.662 -1.757 11.492 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.854 -1.909 11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.663 -2.779 11.049 1.00 0.00 H new ATOM 484 N CYS A 32 -1.226 0.779 7.720 1.00 0.00 N ATOM 485 CA CYS A 32 -1.134 -0.510 7.053 1.00 0.00 C ATOM 486 C CYS A 32 -0.095 -0.436 5.949 1.00 0.00 C ATOM 487 O CYS A 32 0.688 -1.368 5.758 1.00 0.00 O ATOM 488 CB CYS A 32 -2.488 -0.928 6.492 1.00 0.00 C ATOM 489 SG CYS A 32 -3.605 -1.640 7.739 1.00 0.00 S ATOM 0 H CYS A 32 -2.018 1.355 7.433 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.829 -1.264 7.779 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.968 -0.060 6.040 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.333 -1.657 5.697 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.836 -1.360 7.429 1.00 0.00 H new ATOM 494 N LEU A 33 0.046 0.752 5.381 1.00 0.00 N ATOM 495 CA LEU A 33 1.145 1.029 4.480 1.00 0.00 C ATOM 496 C LEU A 33 2.350 1.473 5.298 1.00 0.00 C ATOM 497 O LEU A 33 2.791 2.619 5.224 1.00 0.00 O ATOM 498 CB LEU A 33 0.758 2.098 3.455 1.00 0.00 C ATOM 499 CG LEU A 33 1.775 2.307 2.332 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.545 1.318 1.203 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.708 3.728 1.809 1.00 0.00 C ATOM 0 H LEU A 33 -0.588 1.537 5.530 1.00 0.00 H new ATOM 0 HA LEU A 33 1.395 0.125 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.201 1.827 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.613 3.045 3.975 1.00 0.00 H new ATOM 0 HG LEU A 33 2.770 2.134 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.280 1.486 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.647 0.302 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.542 1.455 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.439 3.857 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.709 3.926 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.928 4.424 2.618 1.00 0.00 H new ATOM 513 N LYS A 34 2.803 0.583 6.161 1.00 0.00 N ATOM 514 CA LYS A 34 3.921 0.864 7.043 1.00 0.00 C ATOM 515 C LYS A 34 5.209 0.405 6.404 1.00 0.00 C ATOM 516 O LYS A 34 5.206 -0.431 5.493 1.00 0.00 O ATOM 517 CB LYS A 34 3.727 0.180 8.402 1.00 0.00 C ATOM 518 CG LYS A 34 3.957 -1.326 8.378 1.00 0.00 C ATOM 519 CD LYS A 34 2.650 -2.088 8.250 1.00 0.00 C ATOM 520 CE LYS A 34 2.796 -3.300 7.345 1.00 0.00 C ATOM 521 NZ LYS A 34 1.504 -4.017 7.174 1.00 0.00 N ATOM 0 H LYS A 34 2.409 -0.351 6.271 1.00 0.00 H new ATOM 0 HA LYS A 34 3.970 1.940 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.409 0.630 9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.715 0.377 8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.611 -1.582 7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.469 -1.631 9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.317 -2.408 9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.880 -1.427 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.169 -2.984 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.537 -3.980 7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.656 -4.875 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.127 -4.281 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.824 -3.397 6.689 1.00 0.00 H new ATOM 535 N CYS A 35 6.301 0.980 6.855 1.00 0.00 N ATOM 536 CA CYS A 35 7.596 0.658 6.318 1.00 0.00 C ATOM 537 C CYS A 35 8.082 -0.696 6.821 1.00 0.00 C ATOM 538 O CYS A 35 7.372 -1.404 7.539 1.00 0.00 O ATOM 539 CB CYS A 35 8.592 1.735 6.691 1.00 0.00 C ATOM 540 SG CYS A 35 9.477 2.411 5.264 1.00 0.00 S ATOM 0 H CYS A 35 6.313 1.678 7.599 1.00 0.00 H new ATOM 0 HA CYS A 35 7.508 0.604 5.233 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.069 2.543 7.203 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.314 1.325 7.397 1.00 0.00 H new ATOM 0 HG CYS A 35 9.660 3.687 5.431 1.00 0.00 H new ATOM 545 N SER A 36 9.298 -1.048 6.446 1.00 0.00 N ATOM 546 CA SER A 36 9.862 -2.322 6.847 1.00 0.00 C ATOM 547 C SER A 36 10.936 -2.157 7.924 1.00 0.00 C ATOM 548 O SER A 36 10.959 -2.911 8.895 1.00 0.00 O ATOM 549 CB SER A 36 10.418 -3.055 5.629 1.00 0.00 C ATOM 550 OG SER A 36 9.644 -2.775 4.474 1.00 0.00 O ATOM 0 H SER A 36 9.911 -0.473 5.868 1.00 0.00 H new ATOM 0 HA SER A 36 9.062 -2.920 7.285 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.452 -2.756 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.424 -4.129 5.817 1.00 0.00 H new ATOM 0 HG SER A 36 10.104 -3.119 3.680 1.00 0.00 H new ATOM 556 N SER A 37 11.845 -1.204 7.745 1.00 0.00 N ATOM 557 CA SER A 37 12.928 -1.031 8.702 1.00 0.00 C ATOM 558 C SER A 37 12.687 0.167 9.619 1.00 0.00 C ATOM 559 O SER A 37 12.890 0.066 10.830 1.00 0.00 O ATOM 560 CB SER A 37 14.277 -0.914 7.983 1.00 0.00 C ATOM 561 OG SER A 37 14.450 0.361 7.390 1.00 0.00 O ATOM 0 H SER A 37 11.854 -0.552 6.961 1.00 0.00 H new ATOM 0 HA SER A 37 12.954 -1.920 9.333 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.084 -1.097 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.347 -1.684 7.215 1.00 0.00 H new ATOM 0 HG SER A 37 14.804 0.254 6.482 1.00 0.00 H new ATOM 567 N CYS A 38 12.187 1.278 9.076 1.00 0.00 N ATOM 568 CA CYS A 38 11.876 2.422 9.918 1.00 0.00 C ATOM 569 C CYS A 38 10.463 2.278 10.471 1.00 0.00 C ATOM 570 O CYS A 38 10.158 2.772 11.560 1.00 0.00 O ATOM 571 CB CYS A 38 12.083 3.747 9.159 1.00 0.00 C ATOM 572 SG CYS A 38 10.623 4.415 8.288 1.00 0.00 S ATOM 0 H CYS A 38 11.994 1.405 8.082 1.00 0.00 H new ATOM 0 HA CYS A 38 12.565 2.447 10.762 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.431 4.497 9.869 1.00 0.00 H new ATOM 0 HB3 CYS A 38 12.881 3.603 8.430 1.00 0.00 H new ATOM 0 HG CYS A 38 10.344 3.661 7.267 1.00 0.00 H new ATOM 577 N GLN A 39 9.671 1.455 9.776 1.00 0.00 N ATOM 578 CA GLN A 39 8.320 1.080 10.199 1.00 0.00 C ATOM 579 C GLN A 39 7.523 2.284 10.670 1.00 0.00 C ATOM 580 O GLN A 39 6.794 2.223 11.664 1.00 0.00 O ATOM 581 CB GLN A 39 8.373 0.019 11.296 1.00 0.00 C ATOM 582 CG GLN A 39 8.751 -1.359 10.781 1.00 0.00 C ATOM 583 CD GLN A 39 7.666 -2.386 11.023 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.443 -2.809 12.154 1.00 0.00 O ATOM 585 NE2 GLN A 39 6.973 -2.784 9.969 1.00 0.00 N ATOM 0 H GLN A 39 9.954 1.027 8.895 1.00 0.00 H new ATOM 0 HA GLN A 39 7.812 0.664 9.329 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.093 0.326 12.054 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.400 -0.038 11.785 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.959 -1.300 9.713 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.671 -1.685 11.267 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.189 -2.409 9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.223 -3.466 10.080 1.00 0.00 H new ATOM 594 N ALA A 40 7.637 3.369 9.932 1.00 0.00 N ATOM 595 CA ALA A 40 6.899 4.556 10.226 1.00 0.00 C ATOM 596 C ALA A 40 5.575 4.514 9.503 1.00 0.00 C ATOM 597 O ALA A 40 5.360 3.696 8.604 1.00 0.00 O ATOM 598 CB ALA A 40 7.689 5.790 9.820 1.00 0.00 C ATOM 0 H ALA A 40 8.245 3.442 9.116 1.00 0.00 H new ATOM 0 HA ALA A 40 6.720 4.609 11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.111 6.685 10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.631 5.815 10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.892 5.756 8.750 1.00 0.00 H new ATOM 604 N GLN A 41 4.727 5.431 9.865 1.00 0.00 N ATOM 605 CA GLN A 41 3.446 5.585 9.214 1.00 0.00 C ATOM 606 C GLN A 41 3.636 6.310 7.895 1.00 0.00 C ATOM 607 O GLN A 41 3.620 7.540 7.838 1.00 0.00 O ATOM 608 CB GLN A 41 2.481 6.352 10.120 1.00 0.00 C ATOM 609 CG GLN A 41 1.048 6.367 9.614 1.00 0.00 C ATOM 610 CD GLN A 41 0.040 6.578 10.723 1.00 0.00 C ATOM 611 OE1 GLN A 41 -1.041 5.991 10.715 1.00 0.00 O ATOM 612 NE2 GLN A 41 0.380 7.424 11.684 1.00 0.00 N ATOM 0 H GLN A 41 4.897 6.096 10.619 1.00 0.00 H new ATOM 0 HA GLN A 41 3.017 4.602 9.019 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.501 5.908 11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.831 7.379 10.222 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.937 7.158 8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.835 5.425 9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.286 7.891 11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.264 7.608 12.453 1.00 0.00 H new ATOM 621 N LEU A 42 3.912 5.542 6.853 1.00 0.00 N ATOM 622 CA LEU A 42 4.186 6.101 5.541 1.00 0.00 C ATOM 623 C LEU A 42 2.994 6.916 5.052 1.00 0.00 C ATOM 624 O LEU A 42 3.148 7.894 4.315 1.00 0.00 O ATOM 625 CB LEU A 42 4.510 4.990 4.544 1.00 0.00 C ATOM 626 CG LEU A 42 5.911 4.379 4.675 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.331 3.736 3.364 1.00 0.00 C ATOM 628 CD2 LEU A 42 6.929 5.430 5.102 1.00 0.00 C ATOM 0 H LEU A 42 3.952 4.524 6.892 1.00 0.00 H new ATOM 0 HA LEU A 42 5.051 6.760 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.773 4.195 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.397 5.386 3.535 1.00 0.00 H new ATOM 0 HG LEU A 42 5.875 3.611 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.327 3.307 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.623 2.950 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.344 4.490 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.913 4.970 5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.964 6.226 4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.639 5.847 6.066 1.00 0.00 H new ATOM 640 N GLY A 43 1.807 6.542 5.523 1.00 0.00 N ATOM 641 CA GLY A 43 0.596 7.243 5.151 1.00 0.00 C ATOM 642 C GLY A 43 0.422 8.569 5.868 1.00 0.00 C ATOM 643 O GLY A 43 -0.566 9.269 5.649 1.00 0.00 O ATOM 0 H GLY A 43 1.665 5.759 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.603 7.418 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.263 6.607 5.365 1.00 0.00 H new ATOM 647 N ASP A 44 1.368 8.913 6.729 1.00 0.00 N ATOM 648 CA ASP A 44 1.302 10.168 7.471 1.00 0.00 C ATOM 649 C ASP A 44 2.090 11.259 6.751 1.00 0.00 C ATOM 650 O ASP A 44 1.778 12.447 6.862 1.00 0.00 O ATOM 651 CB ASP A 44 1.828 9.967 8.902 1.00 0.00 C ATOM 652 CG ASP A 44 3.039 10.820 9.237 1.00 0.00 C ATOM 653 OD1 ASP A 44 2.860 11.965 9.707 1.00 0.00 O ATOM 654 OD2 ASP A 44 4.175 10.337 9.059 1.00 0.00 O ATOM 0 H ASP A 44 2.190 8.344 6.932 1.00 0.00 H new ATOM 0 HA ASP A 44 0.261 10.486 7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.029 10.194 9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.086 8.917 9.040 1.00 0.00 H new ATOM 659 N ILE A 45 3.128 10.850 6.036 1.00 0.00 N ATOM 660 CA ILE A 45 3.994 11.798 5.351 1.00 0.00 C ATOM 661 C ILE A 45 3.558 12.008 3.905 1.00 0.00 C ATOM 662 O ILE A 45 3.664 13.113 3.375 1.00 0.00 O ATOM 663 CB ILE A 45 5.467 11.344 5.389 1.00 0.00 C ATOM 664 CG1 ILE A 45 5.580 9.845 5.093 1.00 0.00 C ATOM 665 CG2 ILE A 45 6.074 11.667 6.747 1.00 0.00 C ATOM 666 CD1 ILE A 45 7.007 9.348 4.999 1.00 0.00 C ATOM 0 H ILE A 45 3.390 9.872 5.915 1.00 0.00 H new ATOM 0 HA ILE A 45 3.907 12.746 5.882 1.00 0.00 H new ATOM 0 HB ILE A 45 6.019 11.883 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.062 9.289 5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.067 9.629 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.115 11.343 6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.025 12.742 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.518 11.147 7.527 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.007 8.279 4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.524 9.876 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.519 9.531 5.944 1.00 0.00 H new ATOM 677 N GLY A 46 3.038 10.954 3.282 1.00 0.00 N ATOM 678 CA GLY A 46 2.558 11.058 1.916 1.00 0.00 C ATOM 679 C GLY A 46 3.680 11.223 0.908 1.00 0.00 C ATOM 680 O GLY A 46 3.470 11.731 -0.194 1.00 0.00 O ATOM 0 H GLY A 46 2.941 10.029 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.983 10.166 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.879 11.907 1.838 1.00 0.00 H new ATOM 684 N THR A 47 4.877 10.814 1.298 1.00 0.00 N ATOM 685 CA THR A 47 6.047 10.927 0.447 1.00 0.00 C ATOM 686 C THR A 47 6.240 9.665 -0.395 1.00 0.00 C ATOM 687 O THR A 47 5.303 8.893 -0.598 1.00 0.00 O ATOM 688 CB THR A 47 7.311 11.212 1.278 1.00 0.00 C ATOM 689 OG1 THR A 47 6.938 11.688 2.578 1.00 0.00 O ATOM 690 CG2 THR A 47 8.190 12.246 0.591 1.00 0.00 C ATOM 0 H THR A 47 5.063 10.396 2.210 1.00 0.00 H new ATOM 0 HA THR A 47 5.882 11.768 -0.227 1.00 0.00 H new ATOM 0 HB THR A 47 7.876 10.285 1.373 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.745 11.867 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.077 12.430 1.197 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.491 11.874 -0.388 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.633 13.175 0.471 1.00 0.00 H new ATOM 698 N SER A 48 7.402 9.547 -1.014 1.00 0.00 N ATOM 699 CA SER A 48 7.670 8.473 -1.950 1.00 0.00 C ATOM 700 C SER A 48 7.946 7.154 -1.233 1.00 0.00 C ATOM 701 O SER A 48 8.725 7.102 -0.279 1.00 0.00 O ATOM 702 CB SER A 48 8.871 8.857 -2.804 1.00 0.00 C ATOM 703 OG SER A 48 9.291 10.179 -2.491 1.00 0.00 O ATOM 0 H SER A 48 8.182 10.191 -0.882 1.00 0.00 H new ATOM 0 HA SER A 48 6.788 8.328 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.688 8.157 -2.631 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.612 8.790 -3.861 1.00 0.00 H new ATOM 0 HG SER A 48 9.880 10.158 -1.708 1.00 0.00 H new ATOM 709 N SER A 49 7.321 6.095 -1.723 1.00 0.00 N ATOM 710 CA SER A 49 7.526 4.757 -1.198 1.00 0.00 C ATOM 711 C SER A 49 7.822 3.807 -2.350 1.00 0.00 C ATOM 712 O SER A 49 7.453 4.083 -3.492 1.00 0.00 O ATOM 713 CB SER A 49 6.283 4.294 -0.439 1.00 0.00 C ATOM 714 OG SER A 49 5.107 4.773 -1.067 1.00 0.00 O ATOM 0 H SER A 49 6.657 6.140 -2.496 1.00 0.00 H new ATOM 0 HA SER A 49 8.370 4.763 -0.508 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.261 3.205 -0.396 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.324 4.652 0.590 1.00 0.00 H new ATOM 0 HG SER A 49 4.374 4.140 -0.915 1.00 0.00 H new ATOM 720 N TYR A 50 8.558 2.746 -2.073 1.00 0.00 N ATOM 721 CA TYR A 50 8.959 1.808 -3.110 1.00 0.00 C ATOM 722 C TYR A 50 8.520 0.398 -2.755 1.00 0.00 C ATOM 723 O TYR A 50 8.254 0.098 -1.590 1.00 0.00 O ATOM 724 CB TYR A 50 10.471 1.877 -3.316 1.00 0.00 C ATOM 725 CG TYR A 50 10.939 3.267 -3.669 1.00 0.00 C ATOM 726 CD1 TYR A 50 10.376 3.947 -4.737 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.916 3.911 -2.922 1.00 0.00 C ATOM 728 CE1 TYR A 50 10.770 5.229 -5.057 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.321 5.194 -3.237 1.00 0.00 C ATOM 730 CZ TYR A 50 11.742 5.848 -4.306 1.00 0.00 C ATOM 731 OH TYR A 50 12.134 7.129 -4.621 1.00 0.00 O ATOM 0 H TYR A 50 8.891 2.511 -1.138 1.00 0.00 H new ATOM 0 HA TYR A 50 8.470 2.082 -4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.974 1.547 -2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.759 1.187 -4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.614 3.464 -5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 50 12.366 3.402 -2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.318 5.744 -5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 50 13.086 5.682 -2.651 1.00 0.00 H new ATOM 0 HH TYR A 50 11.342 7.687 -4.768 1.00 0.00 H new ATOM 741 N THR A 51 8.356 -0.433 -3.772 1.00 0.00 N ATOM 742 CA THR A 51 7.855 -1.780 -3.581 1.00 0.00 C ATOM 743 C THR A 51 8.870 -2.825 -4.027 1.00 0.00 C ATOM 744 O THR A 51 9.119 -3.002 -5.224 1.00 0.00 O ATOM 745 CB THR A 51 6.551 -1.983 -4.361 1.00 0.00 C ATOM 746 OG1 THR A 51 5.710 -0.834 -4.196 1.00 0.00 O ATOM 747 CG2 THR A 51 5.824 -3.234 -3.891 1.00 0.00 C ATOM 0 H THR A 51 8.564 -0.194 -4.742 1.00 0.00 H new ATOM 0 HA THR A 51 7.671 -1.907 -2.514 1.00 0.00 H new ATOM 0 HB THR A 51 6.793 -2.109 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.788 -1.067 -4.430 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.902 -3.355 -4.460 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.462 -4.105 -4.044 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.586 -3.140 -2.831 1.00 0.00 H new ATOM 755 N LYS A 52 9.406 -3.557 -3.068 1.00 0.00 N ATOM 756 CA LYS A 52 10.331 -4.634 -3.360 1.00 0.00 C ATOM 757 C LYS A 52 10.281 -5.669 -2.249 1.00 0.00 C ATOM 758 O LYS A 52 10.026 -5.325 -1.095 1.00 0.00 O ATOM 759 CB LYS A 52 11.752 -4.095 -3.526 1.00 0.00 C ATOM 760 CG LYS A 52 12.311 -4.304 -4.925 1.00 0.00 C ATOM 761 CD LYS A 52 13.258 -3.185 -5.322 1.00 0.00 C ATOM 762 CE LYS A 52 14.183 -3.615 -6.448 1.00 0.00 C ATOM 763 NZ LYS A 52 14.525 -2.488 -7.354 1.00 0.00 N ATOM 0 H LYS A 52 9.215 -3.423 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 52 10.037 -5.105 -4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.759 -3.030 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.406 -4.583 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.836 -5.258 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.491 -4.358 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.683 -2.313 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.850 -2.883 -4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.098 -4.030 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.708 -4.410 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.472 -2.640 -7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.827 -2.437 -8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.515 -1.597 -6.818 1.00 0.00 H new ATOM 777 N SER A 53 10.407 -6.941 -2.628 1.00 0.00 N ATOM 778 CA SER A 53 10.308 -8.057 -1.683 1.00 0.00 C ATOM 779 C SER A 53 8.893 -8.190 -1.122 1.00 0.00 C ATOM 780 O SER A 53 8.693 -8.743 -0.037 1.00 0.00 O ATOM 781 CB SER A 53 11.309 -7.878 -0.538 1.00 0.00 C ATOM 782 OG SER A 53 12.644 -7.929 -1.016 1.00 0.00 O ATOM 0 H SER A 53 10.579 -7.227 -3.592 1.00 0.00 H new ATOM 0 HA SER A 53 10.545 -8.972 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.133 -6.923 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.156 -8.658 0.208 1.00 0.00 H new ATOM 0 HG SER A 53 13.120 -7.117 -0.743 1.00 0.00 H new ATOM 788 N GLY A 54 7.918 -7.637 -1.838 1.00 0.00 N ATOM 789 CA GLY A 54 6.547 -7.643 -1.358 1.00 0.00 C ATOM 790 C GLY A 54 6.372 -6.724 -0.169 1.00 0.00 C ATOM 791 O GLY A 54 5.428 -6.866 0.613 1.00 0.00 O ATOM 0 H GLY A 54 8.053 -7.185 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.878 -7.333 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.262 -8.658 -1.080 1.00 0.00 H new ATOM 795 N MET A 55 7.331 -5.827 0.006 1.00 0.00 N ATOM 796 CA MET A 55 7.347 -4.924 1.143 1.00 0.00 C ATOM 797 C MET A 55 7.230 -3.480 0.681 1.00 0.00 C ATOM 798 O MET A 55 7.462 -3.170 -0.490 1.00 0.00 O ATOM 799 CB MET A 55 8.640 -5.107 1.939 1.00 0.00 C ATOM 800 CG MET A 55 8.418 -5.510 3.386 1.00 0.00 C ATOM 801 SD MET A 55 9.601 -6.751 3.959 1.00 0.00 S ATOM 802 CE MET A 55 11.118 -6.164 3.202 1.00 0.00 C ATOM 0 H MET A 55 8.116 -5.706 -0.634 1.00 0.00 H new ATOM 0 HA MET A 55 6.494 -5.158 1.780 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.252 -5.865 1.450 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.206 -4.176 1.914 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.491 -4.626 4.020 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.406 -5.900 3.498 1.00 0.00 H new ATOM 0 HE1 MET A 55 11.971 -6.487 3.799 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.204 -6.573 2.195 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.102 -5.075 3.151 1.00 0.00 H new ATOM 812 N ILE A 56 6.925 -2.600 1.619 1.00 0.00 N ATOM 813 CA ILE A 56 6.816 -1.176 1.342 1.00 0.00 C ATOM 814 C ILE A 56 7.871 -0.418 2.138 1.00 0.00 C ATOM 815 O ILE A 56 8.069 -0.686 3.324 1.00 0.00 O ATOM 816 CB ILE A 56 5.411 -0.635 1.696 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.330 -1.399 0.922 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.317 0.857 1.415 1.00 0.00 C ATOM 819 CD1 ILE A 56 4.407 -1.216 -0.579 1.00 0.00 C ATOM 0 H ILE A 56 6.746 -2.850 2.592 1.00 0.00 H new ATOM 0 HA ILE A 56 6.976 -1.027 0.274 1.00 0.00 H new ATOM 0 HB ILE A 56 5.246 -0.789 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.413 -2.461 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.349 -1.073 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.320 1.214 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.057 1.387 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.507 1.041 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.610 -1.787 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.293 -0.160 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.373 -1.570 -0.940 1.00 0.00 H new ATOM 830 N LEU A 57 8.628 0.425 1.452 1.00 0.00 N ATOM 831 CA LEU A 57 9.739 1.131 2.073 1.00 0.00 C ATOM 832 C LEU A 57 9.787 2.580 1.609 1.00 0.00 C ATOM 833 O LEU A 57 9.567 2.861 0.429 1.00 0.00 O ATOM 834 CB LEU A 57 11.067 0.453 1.716 1.00 0.00 C ATOM 835 CG LEU A 57 11.043 -1.075 1.662 1.00 0.00 C ATOM 836 CD1 LEU A 57 11.078 -1.561 0.220 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.210 -1.644 2.449 1.00 0.00 C ATOM 0 H LEU A 57 8.493 0.637 0.463 1.00 0.00 H new ATOM 0 HA LEU A 57 9.589 1.103 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.394 0.827 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.817 0.760 2.445 1.00 0.00 H new ATOM 0 HG LEU A 57 10.115 -1.426 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.060 -2.651 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.210 -1.175 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.989 -1.205 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.183 -2.733 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.146 -1.286 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.140 -1.322 3.488 1.00 0.00 H new ATOM 849 N CYS A 58 10.187 3.476 2.505 1.00 0.00 N ATOM 850 CA CYS A 58 10.411 4.862 2.136 1.00 0.00 C ATOM 851 C CYS A 58 11.743 4.980 1.396 1.00 0.00 C ATOM 852 O CYS A 58 12.479 3.998 1.278 1.00 0.00 O ATOM 853 CB CYS A 58 10.386 5.781 3.377 1.00 0.00 C ATOM 854 SG CYS A 58 11.697 5.475 4.616 1.00 0.00 S ATOM 0 H CYS A 58 10.361 3.265 3.488 1.00 0.00 H new ATOM 0 HA CYS A 58 9.606 5.187 1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.462 6.815 3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.418 5.675 3.866 1.00 0.00 H new ATOM 0 HG CYS A 58 11.604 4.255 5.054 1.00 0.00 H new ATOM 859 N ARG A 59 12.049 6.167 0.898 1.00 0.00 N ATOM 860 CA ARG A 59 13.299 6.388 0.179 1.00 0.00 C ATOM 861 C ARG A 59 14.495 6.053 1.068 1.00 0.00 C ATOM 862 O ARG A 59 15.451 5.415 0.629 1.00 0.00 O ATOM 863 CB ARG A 59 13.381 7.839 -0.303 1.00 0.00 C ATOM 864 CG ARG A 59 14.720 8.211 -0.923 1.00 0.00 C ATOM 865 CD ARG A 59 14.682 8.147 -2.446 1.00 0.00 C ATOM 866 NE ARG A 59 13.501 8.808 -3.012 1.00 0.00 N ATOM 867 CZ ARG A 59 13.251 10.117 -2.923 1.00 0.00 C ATOM 868 NH1 ARG A 59 14.130 10.933 -2.352 1.00 0.00 N ATOM 869 NH2 ARG A 59 12.138 10.618 -3.447 1.00 0.00 N ATOM 0 H ARG A 59 11.453 6.991 0.976 1.00 0.00 H new ATOM 0 HA ARG A 59 13.322 5.729 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.592 8.013 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.186 8.502 0.539 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.998 9.217 -0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 59 15.492 7.537 -0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.582 8.614 -2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.696 7.104 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 59 12.824 8.228 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.003 10.561 -1.978 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.932 11.932 -2.288 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.474 10.003 -3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.947 11.618 -3.379 1.00 0.00 H new ATOM 883 N ASN A 60 14.393 6.429 2.335 1.00 0.00 N ATOM 884 CA ASN A 60 15.432 6.143 3.318 1.00 0.00 C ATOM 885 C ASN A 60 15.547 4.636 3.571 1.00 0.00 C ATOM 886 O ASN A 60 16.652 4.085 3.593 1.00 0.00 O ATOM 887 CB ASN A 60 15.130 6.898 4.621 1.00 0.00 C ATOM 888 CG ASN A 60 15.686 6.221 5.861 1.00 0.00 C ATOM 889 OD1 ASN A 60 16.893 6.010 5.988 1.00 0.00 O ATOM 890 ND2 ASN A 60 14.809 5.884 6.792 1.00 0.00 N ATOM 0 H ASN A 60 13.593 6.938 2.710 1.00 0.00 H new ATOM 0 HA ASN A 60 16.391 6.483 2.927 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.543 7.905 4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.050 7.003 4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.125 5.433 7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.817 6.075 6.651 1.00 0.00 H new ATOM 897 N ASP A 61 14.400 3.970 3.685 1.00 0.00 N ATOM 898 CA ASP A 61 14.363 2.519 3.874 1.00 0.00 C ATOM 899 C ASP A 61 14.982 1.803 2.691 1.00 0.00 C ATOM 900 O ASP A 61 15.681 0.805 2.852 1.00 0.00 O ATOM 901 CB ASP A 61 12.927 2.026 4.045 1.00 0.00 C ATOM 902 CG ASP A 61 12.570 1.759 5.487 1.00 0.00 C ATOM 903 OD1 ASP A 61 12.484 2.724 6.263 1.00 0.00 O ATOM 904 OD2 ASP A 61 12.406 0.570 5.854 1.00 0.00 O ATOM 0 H ASP A 61 13.481 4.412 3.650 1.00 0.00 H new ATOM 0 HA ASP A 61 14.935 2.298 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.241 2.769 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.789 1.113 3.466 1.00 0.00 H new ATOM 909 N TYR A 62 14.662 2.291 1.503 1.00 0.00 N ATOM 910 CA TYR A 62 15.116 1.685 0.263 1.00 0.00 C ATOM 911 C TYR A 62 16.634 1.548 0.229 1.00 0.00 C ATOM 912 O TYR A 62 17.158 0.462 -0.021 1.00 0.00 O ATOM 913 CB TYR A 62 14.640 2.518 -0.923 1.00 0.00 C ATOM 914 CG TYR A 62 14.708 1.788 -2.239 1.00 0.00 C ATOM 915 CD1 TYR A 62 13.914 0.675 -2.480 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.568 2.212 -3.240 1.00 0.00 C ATOM 917 CE1 TYR A 62 13.976 0.004 -3.684 1.00 0.00 C ATOM 918 CE2 TYR A 62 15.636 1.547 -4.446 1.00 0.00 C ATOM 919 CZ TYR A 62 14.837 0.446 -4.664 1.00 0.00 C ATOM 920 OH TYR A 62 14.904 -0.219 -5.865 1.00 0.00 O ATOM 0 H TYR A 62 14.080 3.118 1.372 1.00 0.00 H new ATOM 0 HA TYR A 62 14.690 0.683 0.201 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.612 2.834 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 62 15.245 3.422 -0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.237 0.329 -1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 62 16.194 3.076 -3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.354 -0.862 -3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.312 1.888 -5.216 1.00 0.00 H new ATOM 0 HH TYR A 62 15.559 0.221 -6.446 1.00 0.00 H new ATOM 930 N ILE A 63 17.335 2.648 0.488 1.00 0.00 N ATOM 931 CA ILE A 63 18.793 2.648 0.470 1.00 0.00 C ATOM 932 C ILE A 63 19.353 1.825 1.630 1.00 0.00 C ATOM 933 O ILE A 63 20.409 1.203 1.515 1.00 0.00 O ATOM 934 CB ILE A 63 19.377 4.079 0.531 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.439 5.087 -0.146 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.759 4.118 -0.110 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.367 4.957 -1.656 1.00 0.00 C ATOM 0 H ILE A 63 16.916 3.551 0.713 1.00 0.00 H new ATOM 0 HA ILE A 63 19.092 2.197 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 63 19.472 4.361 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.437 4.966 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.767 6.096 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.155 5.132 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.426 3.440 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.685 3.810 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.682 5.706 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.359 5.109 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.008 3.962 -1.919 1.00 0.00 H new ATOM 948 N ARG A 64 18.610 1.779 2.725 1.00 0.00 N ATOM 949 CA ARG A 64 19.005 1.001 3.891 1.00 0.00 C ATOM 950 C ARG A 64 18.906 -0.497 3.601 1.00 0.00 C ATOM 951 O ARG A 64 19.722 -1.290 4.071 1.00 0.00 O ATOM 952 CB ARG A 64 18.116 1.372 5.088 1.00 0.00 C ATOM 953 CG ARG A 64 18.095 0.334 6.202 1.00 0.00 C ATOM 954 CD ARG A 64 18.117 0.987 7.572 1.00 0.00 C ATOM 955 NE ARG A 64 16.835 1.605 7.904 1.00 0.00 N ATOM 956 CZ ARG A 64 16.710 2.758 8.557 1.00 0.00 C ATOM 957 NH1 ARG A 64 17.790 3.428 8.945 1.00 0.00 N ATOM 958 NH2 ARG A 64 15.504 3.237 8.829 1.00 0.00 N ATOM 0 H ARG A 64 17.725 2.274 2.831 1.00 0.00 H new ATOM 0 HA ARG A 64 20.043 1.233 4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.459 2.321 5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 64 17.097 1.528 4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.203 -0.285 6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.955 -0.328 6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 64 18.365 0.240 8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 64 18.902 1.743 7.601 1.00 0.00 H new ATOM 0 HE ARG A 64 15.983 1.123 7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.719 3.059 8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.690 4.311 9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.673 2.722 8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.407 4.121 9.329 1.00 0.00 H new ATOM 972 N LEU A 65 17.845 -0.883 2.910 1.00 0.00 N ATOM 973 CA LEU A 65 17.559 -2.289 2.677 1.00 0.00 C ATOM 974 C LEU A 65 18.284 -2.827 1.449 1.00 0.00 C ATOM 975 O LEU A 65 18.991 -3.832 1.532 1.00 0.00 O ATOM 976 CB LEU A 65 16.050 -2.501 2.520 1.00 0.00 C ATOM 977 CG LEU A 65 15.362 -3.182 3.703 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.183 -4.363 4.189 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.137 -2.186 4.827 1.00 0.00 C ATOM 0 H LEU A 65 17.167 -0.241 2.500 1.00 0.00 H new ATOM 0 HA LEU A 65 17.922 -2.841 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.578 -1.532 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.874 -3.098 1.625 1.00 0.00 H new ATOM 0 HG LEU A 65 14.392 -3.554 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.678 -4.835 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.294 -5.086 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.167 -4.017 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.646 -2.685 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 65 16.096 -1.786 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.507 -1.371 4.470 1.00 0.00 H new ATOM 991 N PHE A 66 18.039 -2.216 0.298 1.00 0.00 N ATOM 992 CA PHE A 66 18.582 -2.718 -0.959 1.00 0.00 C ATOM 993 C PHE A 66 19.431 -1.661 -1.653 1.00 0.00 C ATOM 994 O PHE A 66 19.670 -1.742 -2.856 1.00 0.00 O ATOM 995 CB PHE A 66 17.452 -3.164 -1.898 1.00 0.00 C ATOM 996 CG PHE A 66 16.259 -3.756 -1.198 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.347 -4.987 -0.566 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.048 -3.081 -1.175 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.251 -5.532 0.074 1.00 0.00 C ATOM 1000 CE2 PHE A 66 13.949 -3.623 -0.537 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.051 -4.849 0.089 1.00 0.00 C ATOM 0 H PHE A 66 17.470 -1.375 0.207 1.00 0.00 H new ATOM 0 HA PHE A 66 19.213 -3.575 -0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.124 -2.306 -2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.848 -3.898 -2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 66 17.283 -5.526 -0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.963 -2.121 -1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.333 -6.492 0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.011 -3.088 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.193 -5.273 0.590 1.00 0.00 H new ATOM 1011 N GLY A 67 19.877 -0.666 -0.892 1.00 0.00 N ATOM 1012 CA GLY A 67 20.665 0.422 -1.455 1.00 0.00 C ATOM 1013 C GLY A 67 22.041 -0.017 -1.920 1.00 0.00 C ATOM 1014 O GLY A 67 22.719 0.725 -2.640 1.00 0.00 O ATOM 0 H GLY A 67 19.707 -0.592 0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.125 0.856 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.774 1.208 -0.708 1.00 0.00 H new ATOM 1424 N GLU A 102 8.904 5.269 -8.280 1.00 0.00 N ATOM 1425 CA GLU A 102 8.401 6.480 -7.647 1.00 0.00 C ATOM 1426 C GLU A 102 6.890 6.602 -7.813 1.00 0.00 C ATOM 1427 O GLU A 102 6.288 5.903 -8.634 1.00 0.00 O ATOM 1428 CB GLU A 102 9.090 7.707 -8.240 1.00 0.00 C ATOM 1429 CG GLU A 102 10.143 8.309 -7.329 1.00 0.00 C ATOM 1430 CD GLU A 102 9.554 9.253 -6.301 1.00 0.00 C ATOM 1431 OE1 GLU A 102 8.322 9.465 -6.311 1.00 0.00 O ATOM 1432 OE2 GLU A 102 10.323 9.800 -5.483 1.00 0.00 O ATOM 0 HA GLU A 102 8.623 6.421 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.555 7.431 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.338 8.464 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.676 7.508 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.876 8.846 -7.932 1.00 0.00 H new ATOM 1439 N ARG A 103 6.301 7.530 -7.059 1.00 0.00 N ATOM 1440 CA ARG A 103 4.864 7.803 -7.116 1.00 0.00 C ATOM 1441 C ARG A 103 4.057 6.580 -6.694 1.00 0.00 C ATOM 1442 O ARG A 103 3.402 5.935 -7.516 1.00 0.00 O ATOM 1443 CB ARG A 103 4.452 8.255 -8.519 1.00 0.00 C ATOM 1444 CG ARG A 103 4.574 9.752 -8.728 1.00 0.00 C ATOM 1445 CD ARG A 103 6.003 10.157 -9.043 1.00 0.00 C ATOM 1446 NE ARG A 103 6.614 10.893 -7.938 1.00 0.00 N ATOM 1447 CZ ARG A 103 6.499 12.210 -7.768 1.00 0.00 C ATOM 1448 NH1 ARG A 103 5.824 12.946 -8.644 1.00 0.00 N ATOM 1449 NH2 ARG A 103 7.062 12.794 -6.717 1.00 0.00 N ATOM 0 H ARG A 103 6.806 8.114 -6.392 1.00 0.00 H new ATOM 0 HA ARG A 103 4.651 8.611 -6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.071 7.741 -9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.421 7.953 -8.702 1.00 0.00 H new ATOM 0 HG2 ARG A 103 3.919 10.061 -9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.236 10.274 -7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.594 9.267 -9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.017 10.773 -9.942 1.00 0.00 H new ATOM 0 HE ARG A 103 7.161 10.367 -7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 103 5.389 12.504 -9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.741 13.953 -8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.582 12.235 -6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.975 13.802 -6.586 1.00 0.00 H new ATOM 1463 N LEU A 104 4.102 6.270 -5.410 1.00 0.00 N ATOM 1464 CA LEU A 104 3.381 5.126 -4.878 1.00 0.00 C ATOM 1465 C LEU A 104 2.268 5.574 -3.940 1.00 0.00 C ATOM 1466 O LEU A 104 1.170 5.026 -3.962 1.00 0.00 O ATOM 1467 CB LEU A 104 4.343 4.192 -4.137 1.00 0.00 C ATOM 1468 CG LEU A 104 4.292 2.714 -4.546 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.360 1.936 -3.630 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.859 2.565 -5.996 1.00 0.00 C ATOM 0 H LEU A 104 4.632 6.796 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 104 2.933 4.589 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.359 4.556 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.135 4.261 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 104 5.297 2.303 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.338 0.890 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.718 2.005 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.355 2.354 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.831 1.508 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.867 2.998 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.568 3.082 -6.642 1.00 0.00 H new ATOM 1482 N ILE A 105 2.560 6.559 -3.102 1.00 0.00 N ATOM 1483 CA ILE A 105 1.587 7.027 -2.126 1.00 0.00 C ATOM 1484 C ILE A 105 0.649 8.071 -2.723 1.00 0.00 C ATOM 1485 O ILE A 105 1.067 9.174 -3.086 1.00 0.00 O ATOM 1486 CB ILE A 105 2.269 7.610 -0.862 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.833 6.479 0.000 1.00 0.00 C ATOM 1488 CG2 ILE A 105 1.289 8.448 -0.045 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.686 6.960 1.154 1.00 0.00 C ATOM 0 H ILE A 105 3.456 7.046 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 105 1.004 6.154 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 105 3.084 8.257 -1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.006 5.887 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.428 5.817 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.795 8.844 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.921 9.274 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.451 7.826 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.050 6.102 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.533 7.527 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.089 7.598 1.806 1.00 0.00 H new ATOM 1500 N THR A 106 -0.633 7.751 -2.699 1.00 0.00 N ATOM 1501 CA THR A 106 -1.679 8.684 -3.061 1.00 0.00 C ATOM 1502 C THR A 106 -2.674 8.745 -1.907 1.00 0.00 C ATOM 1503 O THR A 106 -3.341 7.759 -1.611 1.00 0.00 O ATOM 1504 CB THR A 106 -2.391 8.254 -4.363 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.458 8.258 -5.455 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.558 9.175 -4.690 1.00 0.00 C ATOM 0 H THR A 106 -0.977 6.830 -2.426 1.00 0.00 H new ATOM 0 HA THR A 106 -1.244 9.667 -3.244 1.00 0.00 H new ATOM 0 HB THR A 106 -2.781 7.248 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.915 7.983 -6.277 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.036 8.843 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.282 9.148 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.193 10.194 -4.817 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.584 9.787 -1.105 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.351 9.837 0.130 1.00 0.00 C ATOM 1516 C ARG A 107 -4.374 10.965 0.103 1.00 0.00 C ATOM 1517 O ARG A 107 -4.181 11.977 -0.571 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.405 9.975 1.339 1.00 0.00 C ATOM 1519 CG ARG A 107 -2.421 11.344 2.006 1.00 0.00 C ATOM 1520 CD ARG A 107 -1.469 12.312 1.321 1.00 0.00 C ATOM 1521 NE ARG A 107 -0.773 13.170 2.277 1.00 0.00 N ATOM 1522 CZ ARG A 107 0.229 13.985 1.951 1.00 0.00 C ATOM 1523 NH1 ARG A 107 0.648 14.056 0.693 1.00 0.00 N ATOM 1524 NH2 ARG A 107 0.813 14.728 2.883 1.00 0.00 N ATOM 0 H ARG A 107 -1.996 10.602 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.903 8.902 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.672 9.222 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.388 9.756 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.433 11.749 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.144 11.241 3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.738 11.750 0.740 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.026 12.931 0.618 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.072 13.143 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.202 13.486 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.415 14.681 0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.495 14.675 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 107 1.580 15.351 2.632 1.00 0.00 H new ATOM 1538 N LEU A 108 -5.438 10.797 0.869 1.00 0.00 N ATOM 1539 CA LEU A 108 -6.456 11.826 1.003 1.00 0.00 C ATOM 1540 C LEU A 108 -7.013 11.808 2.417 1.00 0.00 C ATOM 1541 O LEU A 108 -7.727 10.882 2.801 1.00 0.00 O ATOM 1542 CB LEU A 108 -7.574 11.627 -0.019 1.00 0.00 C ATOM 1543 CG LEU A 108 -7.863 12.842 -0.898 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -7.328 12.618 -2.304 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -9.356 13.134 -0.926 1.00 0.00 C ATOM 0 H LEU A 108 -5.620 9.952 1.411 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.001 12.797 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.314 10.785 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.487 11.354 0.511 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.355 13.708 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.542 13.493 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.251 12.458 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.808 11.742 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.545 14.003 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.888 12.271 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.706 13.337 0.086 1.00 0.00 H new ATOM 1557 N GLU A 109 -6.594 12.777 3.211 1.00 0.00 N ATOM 1558 CA GLU A 109 -6.973 12.837 4.613 1.00 0.00 C ATOM 1559 C GLU A 109 -7.833 14.068 4.882 1.00 0.00 C ATOM 1560 O GLU A 109 -7.606 15.132 4.298 1.00 0.00 O ATOM 1561 CB GLU A 109 -5.718 12.857 5.492 1.00 0.00 C ATOM 1562 CG GLU A 109 -4.690 13.888 5.061 1.00 0.00 C ATOM 1563 CD GLU A 109 -3.260 13.450 5.305 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -3.044 12.504 6.089 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -2.342 14.055 4.711 1.00 0.00 O ATOM 0 H GLU A 109 -5.987 13.538 2.907 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.560 11.951 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.010 13.056 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -5.258 11.869 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.821 14.100 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.873 14.819 5.597 1.00 0.00 H new