USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 45 THR OG1 : rot 154:sc= 0.387 USER MOD Set 1.2: A 60 GLN : amide:sc= 1.05 X(o=1.8,f=1.3) USER MOD Set 1.3: A 78 THR OG1 : rot 180:sc= 0.371 USER MOD Single : A 16 ASN :FLIP amide:sc= 0 F(o=-2.6!,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.88 K(o=-1.9,f=-4.2!) USER MOD Single : A 24 SER OG : rot 61:sc= 0.649 USER MOD Single : A 25 TYR OH : rot -30:sc= -0.841 USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= -0.18 (180deg=-0.785) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -2.13 F(o=-2.7,f=-2.1) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc=-0.00469 USER MOD Single : A 46 SER OG : rot 119:sc= 0.466 USER MOD Single : A 53 GLN : amide:sc= -0.0309 X(o=-0.031,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 61:sc= 1.26 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 70 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.004) USER MOD Single : A 73 CYS SG : rot 150:sc= -3.62! USER MOD Single : A 76 HIS : no HD1:sc= 0.131 K(o=0.13,f=-2.1!) USER MOD Single : A 77 THR OG1 : rot -150:sc= 0.767 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 93 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.4) USER MOD Single : A 94 CYS SG : rot 60:sc= -3.32! USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 109:sc= -4.14! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 166 N VAL A 15 -8.265 -9.382 -0.293 1.00 0.00 N ATOM 167 CA VAL A 15 -7.761 -9.370 1.075 1.00 0.00 C ATOM 168 C VAL A 15 -6.683 -8.307 1.254 1.00 0.00 C ATOM 169 O VAL A 15 -5.890 -8.055 0.347 1.00 0.00 O ATOM 170 CB VAL A 15 -7.186 -10.741 1.475 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.585 -10.683 2.871 1.00 0.00 C ATOM 172 CG2 VAL A 15 -8.262 -11.814 1.393 1.00 0.00 C ATOM 0 HA VAL A 15 -8.608 -9.138 1.721 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.392 -11.000 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.184 -11.661 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.783 -9.945 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.356 -10.401 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.838 -12.777 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.079 -11.562 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.640 -11.873 0.372 1.00 0.00 H new ATOM 182 N ASN A 16 -6.658 -7.688 2.429 1.00 0.00 N ATOM 183 CA ASN A 16 -5.676 -6.652 2.727 1.00 0.00 C ATOM 184 C ASN A 16 -4.557 -7.200 3.608 1.00 0.00 C ATOM 185 O ASN A 16 -4.810 -7.909 4.583 1.00 0.00 O ATOM 186 CB ASN A 16 -6.350 -5.465 3.419 1.00 0.00 C ATOM 187 CG ASN A 16 -7.281 -4.708 2.492 1.00 0.00 C ATOM 188 OD1 ASN A 16 -6.720 -4.115 1.445 1.00 0.00 O flip ATOM 189 ND2 ASN A 16 -8.491 -4.658 2.715 1.00 0.00 N flip ATOM 0 H ASN A 16 -7.307 -7.886 3.191 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.242 -6.317 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.912 -5.822 4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.585 -4.786 3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.879 -5.129 3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.105 -4.146 2.082 1.00 0.00 H new ATOM 196 N LEU A 17 -3.320 -6.866 3.259 1.00 0.00 N ATOM 197 CA LEU A 17 -2.161 -7.324 4.018 1.00 0.00 C ATOM 198 C LEU A 17 -1.816 -6.341 5.132 1.00 0.00 C ATOM 199 O LEU A 17 -1.441 -5.198 4.870 1.00 0.00 O ATOM 200 CB LEU A 17 -0.958 -7.504 3.090 1.00 0.00 C ATOM 201 CG LEU A 17 -1.134 -8.507 1.950 1.00 0.00 C ATOM 202 CD1 LEU A 17 0.067 -8.471 1.017 1.00 0.00 C ATOM 203 CD2 LEU A 17 -1.342 -9.910 2.500 1.00 0.00 C ATOM 0 H LEU A 17 -3.093 -6.280 2.456 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.410 -8.284 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.709 -6.534 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.104 -7.814 3.692 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.020 -8.227 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.076 -9.192 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.170 -7.471 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.969 -8.724 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.465 -10.610 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.476 -10.200 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.234 -9.927 3.126 1.00 0.00 H new ATOM 215 N ALA A 18 -1.944 -6.794 6.374 1.00 0.00 N ATOM 216 CA ALA A 18 -1.642 -5.955 7.528 1.00 0.00 C ATOM 217 C ALA A 18 -0.136 -5.809 7.721 1.00 0.00 C ATOM 218 O ALA A 18 0.342 -4.776 8.191 1.00 0.00 O ATOM 219 CB ALA A 18 -2.283 -6.532 8.782 1.00 0.00 C ATOM 0 H ALA A 18 -2.255 -7.737 6.608 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.056 -4.964 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.049 -5.896 9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.364 -6.579 8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.895 -7.535 8.960 1.00 0.00 H new ATOM 225 N PHE A 19 0.606 -6.848 7.355 1.00 0.00 N ATOM 226 CA PHE A 19 2.058 -6.836 7.490 1.00 0.00 C ATOM 227 C PHE A 19 2.707 -7.764 6.468 1.00 0.00 C ATOM 228 O PHE A 19 2.387 -8.951 6.399 1.00 0.00 O ATOM 229 CB PHE A 19 2.464 -7.253 8.905 1.00 0.00 C ATOM 230 CG PHE A 19 3.831 -7.870 8.979 1.00 0.00 C ATOM 231 CD1 PHE A 19 4.918 -7.253 8.380 1.00 0.00 C ATOM 232 CD2 PHE A 19 4.031 -9.067 9.648 1.00 0.00 C ATOM 233 CE1 PHE A 19 6.177 -7.819 8.446 1.00 0.00 C ATOM 234 CE2 PHE A 19 5.288 -9.638 9.718 1.00 0.00 C ATOM 235 CZ PHE A 19 6.362 -9.012 9.117 1.00 0.00 C ATOM 0 H PHE A 19 0.226 -7.709 6.962 1.00 0.00 H new ATOM 0 HA PHE A 19 2.406 -5.820 7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.433 -6.379 9.556 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.732 -7.963 9.290 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.779 -6.319 7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.194 -9.560 10.121 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.015 -7.329 7.973 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.430 -10.572 10.242 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.346 -9.455 9.172 1.00 0.00 H new ATOM 245 N VAL A 20 3.621 -7.215 5.674 1.00 0.00 N ATOM 246 CA VAL A 20 4.317 -7.992 4.656 1.00 0.00 C ATOM 247 C VAL A 20 5.827 -7.926 4.850 1.00 0.00 C ATOM 248 O VAL A 20 6.431 -6.858 4.752 1.00 0.00 O ATOM 249 CB VAL A 20 3.970 -7.498 3.239 1.00 0.00 C ATOM 250 CG1 VAL A 20 4.945 -8.069 2.220 1.00 0.00 C ATOM 251 CG2 VAL A 20 2.538 -7.866 2.882 1.00 0.00 C ATOM 0 H VAL A 20 3.897 -6.234 5.717 1.00 0.00 H new ATOM 0 HA VAL A 20 3.985 -9.025 4.764 1.00 0.00 H new ATOM 0 HB VAL A 20 4.057 -6.412 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.684 -7.709 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.958 -7.750 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.893 -9.158 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.310 -7.509 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.421 -8.949 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.855 -7.404 3.595 1.00 0.00 H new ATOM 261 N LYS A 21 6.434 -9.076 5.125 1.00 0.00 N ATOM 262 CA LYS A 21 7.875 -9.151 5.332 1.00 0.00 C ATOM 263 C LYS A 21 8.626 -8.546 4.150 1.00 0.00 C ATOM 264 O LYS A 21 8.655 -9.119 3.062 1.00 0.00 O ATOM 265 CB LYS A 21 8.307 -10.605 5.534 1.00 0.00 C ATOM 266 CG LYS A 21 9.498 -10.762 6.463 1.00 0.00 C ATOM 267 CD LYS A 21 10.631 -9.825 6.081 1.00 0.00 C ATOM 268 CE LYS A 21 11.629 -9.664 7.217 1.00 0.00 C ATOM 269 NZ LYS A 21 11.264 -8.538 8.120 1.00 0.00 N ATOM 0 H LYS A 21 5.949 -9.969 5.210 1.00 0.00 H new ATOM 0 HA LYS A 21 8.119 -8.578 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.467 -11.172 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.553 -11.040 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.189 -10.561 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.851 -11.793 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.142 -10.211 5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.223 -8.850 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.678 -10.589 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.623 -9.492 6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.969 -8.461 8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.242 -7.651 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.326 -8.714 8.533 1.00 0.00 H new ATOM 283 N ASN A 22 9.234 -7.386 4.373 1.00 0.00 N ATOM 284 CA ASN A 22 9.987 -6.704 3.326 1.00 0.00 C ATOM 285 C ASN A 22 11.071 -5.814 3.927 1.00 0.00 C ATOM 286 O ASN A 22 11.125 -5.618 5.141 1.00 0.00 O ATOM 287 CB ASN A 22 9.047 -5.866 2.457 1.00 0.00 C ATOM 288 CG ASN A 22 8.645 -4.566 3.127 1.00 0.00 C ATOM 289 OD1 ASN A 22 8.870 -3.482 2.589 1.00 0.00 O ATOM 290 ND2 ASN A 22 8.048 -4.670 4.309 1.00 0.00 N ATOM 0 H ASN A 22 9.220 -6.898 5.269 1.00 0.00 H new ATOM 0 HA ASN A 22 10.466 -7.461 2.706 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.534 -5.646 1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.153 -6.446 2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.756 -3.830 4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.882 -5.590 4.717 1.00 0.00 H new ATOM 297 N ASP A 23 11.932 -5.278 3.068 1.00 0.00 N ATOM 298 CA ASP A 23 13.014 -4.408 3.513 1.00 0.00 C ATOM 299 C ASP A 23 13.342 -3.362 2.452 1.00 0.00 C ATOM 300 O ASP A 23 13.629 -3.699 1.303 1.00 0.00 O ATOM 301 CB ASP A 23 14.261 -5.233 3.836 1.00 0.00 C ATOM 302 CG ASP A 23 15.145 -4.565 4.871 1.00 0.00 C ATOM 303 OD1 ASP A 23 15.130 -3.318 4.948 1.00 0.00 O ATOM 304 OD2 ASP A 23 15.851 -5.288 5.603 1.00 0.00 O ATOM 0 H ASP A 23 11.901 -5.431 2.060 1.00 0.00 H new ATOM 0 HA ASP A 23 12.685 -3.893 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.959 -6.215 4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.834 -5.394 2.923 1.00 0.00 H new ATOM 309 N SER A 24 13.295 -2.093 2.844 1.00 0.00 N ATOM 310 CA SER A 24 13.582 -0.998 1.926 1.00 0.00 C ATOM 311 C SER A 24 14.766 -0.171 2.419 1.00 0.00 C ATOM 312 O SER A 24 14.841 0.184 3.595 1.00 0.00 O ATOM 313 CB SER A 24 12.352 -0.103 1.765 1.00 0.00 C ATOM 314 OG SER A 24 12.720 1.199 1.343 1.00 0.00 O ATOM 0 H SER A 24 13.061 -1.798 3.792 1.00 0.00 H new ATOM 0 HA SER A 24 13.839 -1.427 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.670 -0.545 1.039 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.815 -0.044 2.712 1.00 0.00 H new ATOM 0 HG SER A 24 13.165 1.147 0.472 1.00 0.00 H new ATOM 320 N TYR A 25 15.687 0.131 1.511 1.00 0.00 N ATOM 321 CA TYR A 25 16.869 0.914 1.853 1.00 0.00 C ATOM 322 C TYR A 25 16.840 2.274 1.162 1.00 0.00 C ATOM 323 O TYR A 25 16.204 2.440 0.122 1.00 0.00 O ATOM 324 CB TYR A 25 18.139 0.157 1.461 1.00 0.00 C ATOM 325 CG TYR A 25 18.192 -0.219 -0.002 1.00 0.00 C ATOM 326 CD1 TYR A 25 17.470 -1.302 -0.488 1.00 0.00 C ATOM 327 CD2 TYR A 25 18.964 0.509 -0.899 1.00 0.00 C ATOM 328 CE1 TYR A 25 17.516 -1.650 -1.824 1.00 0.00 C ATOM 329 CE2 TYR A 25 19.015 0.170 -2.237 1.00 0.00 C ATOM 330 CZ TYR A 25 18.290 -0.911 -2.695 1.00 0.00 C ATOM 331 OH TYR A 25 18.338 -1.253 -4.027 1.00 0.00 O ATOM 0 H TYR A 25 15.638 -0.154 0.533 1.00 0.00 H new ATOM 0 HA TYR A 25 16.868 1.074 2.931 1.00 0.00 H new ATOM 0 HB2 TYR A 25 19.007 0.771 1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.213 -0.749 2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.862 -1.882 0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 25 19.534 1.355 -0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.949 -2.496 -2.185 1.00 0.00 H new ATOM 0 HE2 TYR A 25 19.619 0.748 -2.921 1.00 0.00 H new ATOM 0 HH TYR A 25 18.209 -2.220 -4.121 1.00 0.00 H new ATOM 341 N GLU A 26 17.535 3.243 1.749 1.00 0.00 N ATOM 342 CA GLU A 26 17.589 4.589 1.190 1.00 0.00 C ATOM 343 C GLU A 26 18.570 4.655 0.023 1.00 0.00 C ATOM 344 O GLU A 26 19.781 4.767 0.220 1.00 0.00 O ATOM 345 CB GLU A 26 17.994 5.597 2.268 1.00 0.00 C ATOM 346 CG GLU A 26 16.843 6.027 3.162 1.00 0.00 C ATOM 347 CD GLU A 26 17.250 7.089 4.165 1.00 0.00 C ATOM 348 OE1 GLU A 26 17.525 8.231 3.741 1.00 0.00 O ATOM 349 OE2 GLU A 26 17.293 6.779 5.374 1.00 0.00 O ATOM 0 H GLU A 26 18.068 3.122 2.610 1.00 0.00 H new ATOM 0 HA GLU A 26 16.595 4.841 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.779 5.160 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 26 18.419 6.478 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.030 6.409 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.457 5.158 3.695 1.00 0.00 H new ATOM 356 N LYS A 27 18.040 4.584 -1.193 1.00 0.00 N ATOM 357 CA LYS A 27 18.866 4.635 -2.393 1.00 0.00 C ATOM 358 C LYS A 27 18.874 6.040 -2.988 1.00 0.00 C ATOM 359 O LYS A 27 17.948 6.821 -2.774 1.00 0.00 O ATOM 360 CB LYS A 27 18.356 3.633 -3.432 1.00 0.00 C ATOM 361 CG LYS A 27 19.141 3.652 -4.732 1.00 0.00 C ATOM 362 CD LYS A 27 18.495 2.770 -5.786 1.00 0.00 C ATOM 363 CE LYS A 27 18.991 1.335 -5.694 1.00 0.00 C ATOM 364 NZ LYS A 27 20.460 1.241 -5.920 1.00 0.00 N ATOM 0 H LYS A 27 17.040 4.491 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 27 19.886 4.371 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.397 2.630 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.309 3.846 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 27 19.207 4.675 -5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.160 3.313 -4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.412 2.790 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.712 3.168 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.748 0.929 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.470 0.723 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.652 0.542 -6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.826 2.169 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.928 0.945 -5.040 1.00 0.00 H new ATOM 378 N GLY A 28 19.927 6.354 -3.737 1.00 0.00 N ATOM 379 CA GLY A 28 20.035 7.664 -4.352 1.00 0.00 C ATOM 380 C GLY A 28 19.620 8.781 -3.414 1.00 0.00 C ATOM 381 O GLY A 28 19.464 8.583 -2.209 1.00 0.00 O ATOM 0 H GLY A 28 20.707 5.725 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.064 7.827 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.413 7.695 -5.246 1.00 0.00 H new ATOM 385 N PRO A 29 19.436 9.988 -3.970 1.00 0.00 N ATOM 386 CA PRO A 29 19.035 11.164 -3.193 1.00 0.00 C ATOM 387 C PRO A 29 17.598 11.067 -2.693 1.00 0.00 C ATOM 388 O PRO A 29 17.332 11.241 -1.503 1.00 0.00 O ATOM 389 CB PRO A 29 19.176 12.315 -4.193 1.00 0.00 C ATOM 390 CG PRO A 29 19.020 11.676 -5.530 1.00 0.00 C ATOM 391 CD PRO A 29 19.604 10.296 -5.400 1.00 0.00 C ATOM 0 HA PRO A 29 19.641 11.284 -2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.416 13.078 -4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 29 20.145 12.805 -4.099 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.970 11.630 -5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.539 12.248 -6.299 1.00 0.00 H new ATOM 0 HD2 PRO A 29 19.080 9.577 -6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 29 20.653 10.274 -5.695 1.00 0.00 H new ATOM 399 N ASP A 30 16.676 10.786 -3.607 1.00 0.00 N ATOM 400 CA ASP A 30 15.266 10.664 -3.258 1.00 0.00 C ATOM 401 C ASP A 30 14.714 9.309 -3.691 1.00 0.00 C ATOM 402 O ASP A 30 13.503 9.135 -3.826 1.00 0.00 O ATOM 403 CB ASP A 30 14.458 11.788 -3.908 1.00 0.00 C ATOM 404 CG ASP A 30 14.988 12.165 -5.277 1.00 0.00 C ATOM 405 OD1 ASP A 30 15.640 11.313 -5.915 1.00 0.00 O ATOM 406 OD2 ASP A 30 14.753 13.313 -5.709 1.00 0.00 O ATOM 0 H ASP A 30 16.880 10.638 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 30 15.178 10.743 -2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.417 11.478 -3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.475 12.665 -3.261 1.00 0.00 H new ATOM 411 N SER A 31 15.611 8.352 -3.907 1.00 0.00 N ATOM 412 CA SER A 31 15.215 7.014 -4.329 1.00 0.00 C ATOM 413 C SER A 31 15.023 6.099 -3.124 1.00 0.00 C ATOM 414 O SER A 31 15.731 6.212 -2.124 1.00 0.00 O ATOM 415 CB SER A 31 16.265 6.422 -5.271 1.00 0.00 C ATOM 416 OG SER A 31 16.663 7.366 -6.250 1.00 0.00 O ATOM 0 H SER A 31 16.617 8.479 -3.797 1.00 0.00 H new ATOM 0 HA SER A 31 14.265 7.093 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.134 6.101 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.861 5.535 -5.760 1.00 0.00 H new ATOM 0 HG SER A 31 17.336 6.963 -6.838 1.00 0.00 H new ATOM 422 N VAL A 32 14.058 5.190 -3.227 1.00 0.00 N ATOM 423 CA VAL A 32 13.771 4.254 -2.147 1.00 0.00 C ATOM 424 C VAL A 32 13.356 2.893 -2.695 1.00 0.00 C ATOM 425 O VAL A 32 12.243 2.725 -3.193 1.00 0.00 O ATOM 426 CB VAL A 32 12.658 4.784 -1.225 1.00 0.00 C ATOM 427 CG1 VAL A 32 12.358 3.784 -0.119 1.00 0.00 C ATOM 428 CG2 VAL A 32 13.047 6.134 -0.642 1.00 0.00 C ATOM 0 H VAL A 32 13.462 5.082 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 32 14.690 4.146 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 32 11.753 4.916 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.569 4.177 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.033 2.841 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.257 3.616 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.249 6.494 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.965 6.030 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.206 6.847 -1.451 1.00 0.00 H new ATOM 438 N VAL A 33 14.260 1.922 -2.601 1.00 0.00 N ATOM 439 CA VAL A 33 13.987 0.575 -3.086 1.00 0.00 C ATOM 440 C VAL A 33 13.343 -0.280 -2.000 1.00 0.00 C ATOM 441 O VAL A 33 13.680 -0.164 -0.822 1.00 0.00 O ATOM 442 CB VAL A 33 15.275 -0.117 -3.573 1.00 0.00 C ATOM 443 CG1 VAL A 33 15.045 -1.611 -3.746 1.00 0.00 C ATOM 444 CG2 VAL A 33 15.757 0.510 -4.872 1.00 0.00 C ATOM 0 H VAL A 33 15.187 2.044 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 33 13.297 0.673 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 33 16.050 0.023 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.965 -2.083 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.749 -2.046 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.256 -1.775 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.667 0.009 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.987 0.402 -5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.963 1.568 -4.711 1.00 0.00 H new ATOM 454 N VAL A 34 12.415 -1.141 -2.406 1.00 0.00 N ATOM 455 CA VAL A 34 11.724 -2.018 -1.468 1.00 0.00 C ATOM 456 C VAL A 34 11.908 -3.483 -1.848 1.00 0.00 C ATOM 457 O VAL A 34 11.793 -3.852 -3.017 1.00 0.00 O ATOM 458 CB VAL A 34 10.218 -1.700 -1.408 1.00 0.00 C ATOM 459 CG1 VAL A 34 9.556 -2.464 -0.271 1.00 0.00 C ATOM 460 CG2 VAL A 34 9.995 -0.203 -1.257 1.00 0.00 C ATOM 0 H VAL A 34 12.125 -1.250 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 34 12.165 -1.842 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 34 9.759 -2.019 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.492 -2.227 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.685 -3.535 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.015 -2.178 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.925 0.003 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.467 0.144 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.433 0.318 -2.109 1.00 0.00 H new ATOM 470 N HIS A 35 12.195 -4.315 -0.852 1.00 0.00 N ATOM 471 CA HIS A 35 12.395 -5.742 -1.081 1.00 0.00 C ATOM 472 C HIS A 35 11.346 -6.563 -0.337 1.00 0.00 C ATOM 473 O HIS A 35 11.445 -6.765 0.873 1.00 0.00 O ATOM 474 CB HIS A 35 13.797 -6.160 -0.636 1.00 0.00 C ATOM 475 CG HIS A 35 14.886 -5.647 -1.527 1.00 0.00 C ATOM 476 ND1 HIS A 35 14.917 -4.583 -2.363 1.00 0.00 N flip ATOM 477 CD2 HIS A 35 16.123 -6.248 -1.627 1.00 0.00 C flip ATOM 478 CE1 HIS A 35 16.161 -4.560 -2.946 1.00 0.00 C flip ATOM 479 NE2 HIS A 35 16.869 -5.575 -2.485 1.00 0.00 N flip ATOM 0 H HIS A 35 12.294 -4.026 0.121 1.00 0.00 H new ATOM 0 HA HIS A 35 12.290 -5.932 -2.149 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.969 -5.801 0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.849 -7.248 -0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 35 16.434 -7.131 -1.088 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.504 -3.830 -3.665 1.00 0.00 H new ATOM 0 HE2 HIS A 35 17.829 -5.801 -2.747 1.00 0.00 H new ATOM 488 N VAL A 36 10.342 -7.035 -1.069 1.00 0.00 N ATOM 489 CA VAL A 36 9.275 -7.834 -0.479 1.00 0.00 C ATOM 490 C VAL A 36 9.604 -9.322 -0.542 1.00 0.00 C ATOM 491 O VAL A 36 9.878 -9.863 -1.613 1.00 0.00 O ATOM 492 CB VAL A 36 7.930 -7.588 -1.189 1.00 0.00 C ATOM 493 CG1 VAL A 36 6.793 -8.247 -0.423 1.00 0.00 C ATOM 494 CG2 VAL A 36 7.680 -6.096 -1.352 1.00 0.00 C ATOM 0 H VAL A 36 10.245 -6.878 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 36 9.189 -7.526 0.563 1.00 0.00 H new ATOM 0 HB VAL A 36 7.975 -8.037 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.851 -8.062 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.969 -9.321 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.743 -7.831 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.726 -5.940 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.655 -5.622 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.480 -5.656 -1.947 1.00 0.00 H new ATOM 504 N TYR A 37 9.576 -9.977 0.613 1.00 0.00 N ATOM 505 CA TYR A 37 9.874 -11.402 0.691 1.00 0.00 C ATOM 506 C TYR A 37 8.663 -12.235 0.280 1.00 0.00 C ATOM 507 O TYR A 37 7.700 -12.367 1.036 1.00 0.00 O ATOM 508 CB TYR A 37 10.307 -11.777 2.109 1.00 0.00 C ATOM 509 CG TYR A 37 11.664 -11.231 2.492 1.00 0.00 C ATOM 510 CD1 TYR A 37 12.302 -10.284 1.701 1.00 0.00 C ATOM 511 CD2 TYR A 37 12.309 -11.663 3.644 1.00 0.00 C ATOM 512 CE1 TYR A 37 13.542 -9.782 2.046 1.00 0.00 C ATOM 513 CE2 TYR A 37 13.548 -11.166 3.998 1.00 0.00 C ATOM 514 CZ TYR A 37 14.161 -10.226 3.196 1.00 0.00 C ATOM 515 OH TYR A 37 15.396 -9.729 3.544 1.00 0.00 O ATOM 0 H TYR A 37 9.350 -9.544 1.508 1.00 0.00 H new ATOM 0 HA TYR A 37 10.690 -11.615 0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.564 -11.409 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.323 -12.863 2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.820 -9.934 0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.833 -12.400 4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.024 -9.046 1.419 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.034 -11.512 4.898 1.00 0.00 H new ATOM 0 HH TYR A 37 15.692 -10.144 4.381 1.00 0.00 H new ATOM 525 N VAL A 38 8.720 -12.795 -0.924 1.00 0.00 N ATOM 526 CA VAL A 38 7.630 -13.617 -1.436 1.00 0.00 C ATOM 527 C VAL A 38 7.999 -14.245 -2.776 1.00 0.00 C ATOM 528 O VAL A 38 8.725 -13.652 -3.574 1.00 0.00 O ATOM 529 CB VAL A 38 6.339 -12.795 -1.605 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.483 -11.802 -2.748 1.00 0.00 C ATOM 531 CG2 VAL A 38 5.148 -13.714 -1.834 1.00 0.00 C ATOM 0 H VAL A 38 9.509 -12.695 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 38 7.456 -14.405 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 38 6.165 -12.233 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.561 -11.231 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.309 -11.123 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.683 -12.340 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.244 -13.116 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.312 -14.304 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.033 -14.381 -0.979 1.00 0.00 H new ATOM 541 N LYS A 39 7.493 -15.450 -3.017 1.00 0.00 N ATOM 542 CA LYS A 39 7.766 -16.160 -4.261 1.00 0.00 C ATOM 543 C LYS A 39 6.473 -16.661 -4.897 1.00 0.00 C ATOM 544 O LYS A 39 5.380 -16.374 -4.410 1.00 0.00 O ATOM 545 CB LYS A 39 8.710 -17.336 -4.004 1.00 0.00 C ATOM 546 CG LYS A 39 9.688 -17.094 -2.868 1.00 0.00 C ATOM 547 CD LYS A 39 10.538 -18.323 -2.592 1.00 0.00 C ATOM 548 CE LYS A 39 11.926 -17.943 -2.099 1.00 0.00 C ATOM 549 NZ LYS A 39 12.482 -18.962 -1.167 1.00 0.00 N ATOM 0 H LYS A 39 6.891 -15.955 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 39 8.243 -15.463 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.118 -18.224 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.270 -17.548 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.334 -16.252 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.140 -16.820 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.045 -18.948 -1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.624 -18.918 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.595 -17.827 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.881 -16.977 -1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.429 -18.666 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.857 -19.054 -0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.549 -19.878 -1.654 1.00 0.00 H new ATOM 563 N GLU A 40 6.607 -17.411 -5.986 1.00 0.00 N ATOM 564 CA GLU A 40 5.448 -17.952 -6.687 1.00 0.00 C ATOM 565 C GLU A 40 4.367 -16.888 -6.853 1.00 0.00 C ATOM 566 O GLU A 40 3.204 -17.113 -6.515 1.00 0.00 O ATOM 567 CB GLU A 40 4.883 -19.156 -5.930 1.00 0.00 C ATOM 568 CG GLU A 40 5.951 -20.047 -5.319 1.00 0.00 C ATOM 569 CD GLU A 40 6.755 -20.796 -6.364 1.00 0.00 C ATOM 570 OE1 GLU A 40 6.215 -21.757 -6.951 1.00 0.00 O ATOM 571 OE2 GLU A 40 7.923 -20.421 -6.594 1.00 0.00 O ATOM 0 H GLU A 40 7.505 -17.658 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 40 5.771 -18.274 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.223 -18.800 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.273 -19.749 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.624 -19.439 -4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.480 -20.764 -4.646 1.00 0.00 H new ATOM 578 N ILE A 41 4.759 -15.731 -7.373 1.00 0.00 N ATOM 579 CA ILE A 41 3.824 -14.632 -7.584 1.00 0.00 C ATOM 580 C ILE A 41 3.402 -14.543 -9.046 1.00 0.00 C ATOM 581 O ILE A 41 4.196 -14.809 -9.950 1.00 0.00 O ATOM 582 CB ILE A 41 4.432 -13.285 -7.153 1.00 0.00 C ATOM 583 CG1 ILE A 41 4.277 -13.089 -5.644 1.00 0.00 C ATOM 584 CG2 ILE A 41 3.776 -12.141 -7.911 1.00 0.00 C ATOM 585 CD1 ILE A 41 4.237 -11.637 -5.223 1.00 0.00 C ATOM 0 H ILE A 41 5.718 -15.529 -7.656 1.00 0.00 H new ATOM 0 HA ILE A 41 2.949 -14.839 -6.968 1.00 0.00 H new ATOM 0 HB ILE A 41 5.496 -13.291 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.361 -13.579 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.104 -13.584 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.217 -11.195 -7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.934 -12.276 -8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.707 -12.131 -7.701 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.126 -11.575 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.163 -11.146 -5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.393 -11.142 -5.704 1.00 0.00 H new ATOM 597 N CYS A 42 2.149 -14.164 -9.273 1.00 0.00 N ATOM 598 CA CYS A 42 1.621 -14.037 -10.627 1.00 0.00 C ATOM 599 C CYS A 42 1.764 -12.606 -11.134 1.00 0.00 C ATOM 600 O CYS A 42 1.004 -11.720 -10.745 1.00 0.00 O ATOM 601 CB CYS A 42 0.152 -14.461 -10.665 1.00 0.00 C ATOM 602 SG CYS A 42 -0.365 -15.191 -12.237 1.00 0.00 S ATOM 0 H CYS A 42 1.480 -13.939 -8.537 1.00 0.00 H new ATOM 0 HA CYS A 42 2.198 -14.693 -11.279 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.028 -15.180 -9.866 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.472 -13.591 -10.458 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.621 -15.519 -12.171 1.00 0.00 H new ATOM 608 N ARG A 43 2.744 -12.388 -12.005 1.00 0.00 N ATOM 609 CA ARG A 43 2.989 -11.064 -12.564 1.00 0.00 C ATOM 610 C ARG A 43 1.875 -10.667 -13.528 1.00 0.00 C ATOM 611 O ARG A 43 1.868 -9.556 -14.060 1.00 0.00 O ATOM 612 CB ARG A 43 4.338 -11.032 -13.285 1.00 0.00 C ATOM 613 CG ARG A 43 5.496 -11.523 -12.431 1.00 0.00 C ATOM 614 CD ARG A 43 6.825 -10.975 -12.928 1.00 0.00 C ATOM 615 NE ARG A 43 7.933 -11.882 -12.639 1.00 0.00 N ATOM 616 CZ ARG A 43 8.139 -13.021 -13.290 1.00 0.00 C ATOM 617 NH1 ARG A 43 7.317 -13.391 -14.263 1.00 0.00 N ATOM 618 NH2 ARG A 43 9.169 -13.793 -12.970 1.00 0.00 N ATOM 0 H ARG A 43 3.381 -13.111 -12.339 1.00 0.00 H new ATOM 0 HA ARG A 43 3.008 -10.348 -11.742 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.275 -11.645 -14.184 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.543 -10.012 -13.609 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.340 -11.220 -11.396 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.523 -12.613 -12.444 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.767 -10.804 -14.003 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.016 -10.009 -12.461 1.00 0.00 H new ATOM 0 HE ARG A 43 8.584 -11.627 -11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.524 -12.800 -14.513 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.478 -14.266 -14.761 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.804 -13.512 -12.223 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.326 -14.668 -13.471 1.00 0.00 H new ATOM 632 N ASP A 44 0.937 -11.581 -13.749 1.00 0.00 N ATOM 633 CA ASP A 44 -0.182 -11.326 -14.649 1.00 0.00 C ATOM 634 C ASP A 44 -1.352 -10.698 -13.897 1.00 0.00 C ATOM 635 O ASP A 44 -2.082 -9.870 -14.442 1.00 0.00 O ATOM 636 CB ASP A 44 -0.630 -12.625 -15.320 1.00 0.00 C ATOM 637 CG ASP A 44 0.192 -12.953 -16.552 1.00 0.00 C ATOM 638 OD1 ASP A 44 0.260 -12.103 -17.464 1.00 0.00 O ATOM 639 OD2 ASP A 44 0.768 -14.060 -16.602 1.00 0.00 O ATOM 0 H ASP A 44 0.929 -12.505 -13.317 1.00 0.00 H new ATOM 0 HA ASP A 44 0.152 -10.626 -15.415 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.553 -13.445 -14.606 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.681 -12.543 -15.599 1.00 0.00 H new ATOM 644 N THR A 45 -1.525 -11.099 -12.641 1.00 0.00 N ATOM 645 CA THR A 45 -2.607 -10.577 -11.815 1.00 0.00 C ATOM 646 C THR A 45 -2.064 -9.762 -10.648 1.00 0.00 C ATOM 647 O THR A 45 -2.788 -9.456 -9.701 1.00 0.00 O ATOM 648 CB THR A 45 -3.491 -11.713 -11.266 1.00 0.00 C ATOM 649 OG1 THR A 45 -2.730 -12.544 -10.383 1.00 0.00 O ATOM 650 CG2 THR A 45 -4.058 -12.554 -12.400 1.00 0.00 C ATOM 0 H THR A 45 -0.930 -11.783 -12.174 1.00 0.00 H new ATOM 0 HA THR A 45 -3.210 -9.932 -12.454 1.00 0.00 H new ATOM 0 HB THR A 45 -4.320 -11.265 -10.718 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.330 -12.968 -9.735 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.679 -13.350 -11.988 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.662 -11.924 -13.053 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.240 -12.992 -12.973 1.00 0.00 H new ATOM 658 N SER A 46 -0.783 -9.412 -10.721 1.00 0.00 N ATOM 659 CA SER A 46 -0.142 -8.634 -9.668 1.00 0.00 C ATOM 660 C SER A 46 0.282 -7.263 -10.187 1.00 0.00 C ATOM 661 O SER A 46 1.107 -7.159 -11.095 1.00 0.00 O ATOM 662 CB SER A 46 1.075 -9.383 -9.120 1.00 0.00 C ATOM 663 OG SER A 46 0.699 -10.635 -8.573 1.00 0.00 O ATOM 0 H SER A 46 -0.169 -9.655 -11.499 1.00 0.00 H new ATOM 0 HA SER A 46 -0.865 -8.492 -8.864 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.802 -9.535 -9.918 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.563 -8.780 -8.354 1.00 0.00 H new ATOM 0 HG SER A 46 1.143 -11.355 -9.068 1.00 0.00 H new ATOM 669 N ARG A 47 -0.288 -6.215 -9.603 1.00 0.00 N ATOM 670 CA ARG A 47 0.028 -4.850 -10.006 1.00 0.00 C ATOM 671 C ARG A 47 0.398 -3.997 -8.796 1.00 0.00 C ATOM 672 O ARG A 47 0.395 -4.476 -7.661 1.00 0.00 O ATOM 673 CB ARG A 47 -1.158 -4.224 -10.741 1.00 0.00 C ATOM 674 CG ARG A 47 -2.404 -4.088 -9.882 1.00 0.00 C ATOM 675 CD ARG A 47 -2.454 -2.739 -9.181 1.00 0.00 C ATOM 676 NE ARG A 47 -3.825 -2.298 -8.941 1.00 0.00 N ATOM 677 CZ ARG A 47 -4.670 -1.964 -9.910 1.00 0.00 C ATOM 678 NH1 ARG A 47 -4.287 -2.023 -11.178 1.00 0.00 N ATOM 679 NH2 ARG A 47 -5.902 -1.572 -9.611 1.00 0.00 N ATOM 0 H ARG A 47 -0.971 -6.285 -8.849 1.00 0.00 H new ATOM 0 HA ARG A 47 0.885 -4.887 -10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.869 -3.238 -11.106 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.394 -4.831 -11.615 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.291 -4.209 -10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.424 -4.886 -9.140 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.923 -2.804 -8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.935 -1.996 -9.787 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.152 -2.243 -7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.341 -2.326 -11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.938 -1.766 -11.920 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.201 -1.527 -8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.550 -1.316 -10.355 1.00 0.00 H new ATOM 693 N VAL A 48 0.716 -2.731 -9.045 1.00 0.00 N ATOM 694 CA VAL A 48 1.087 -1.811 -7.976 1.00 0.00 C ATOM 695 C VAL A 48 0.589 -0.400 -8.268 1.00 0.00 C ATOM 696 O VAL A 48 0.954 0.202 -9.279 1.00 0.00 O ATOM 697 CB VAL A 48 2.613 -1.774 -7.772 1.00 0.00 C ATOM 698 CG1 VAL A 48 3.004 -0.608 -6.876 1.00 0.00 C ATOM 699 CG2 VAL A 48 3.105 -3.091 -7.193 1.00 0.00 C ATOM 0 H VAL A 48 0.724 -2.319 -9.978 1.00 0.00 H new ATOM 0 HA VAL A 48 0.615 -2.178 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 48 3.089 -1.630 -8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.086 -0.598 -6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.686 0.327 -7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.520 -0.717 -5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.185 -3.047 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.624 -3.268 -6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.859 -3.904 -7.877 1.00 0.00 H new ATOM 709 N LEU A 49 -0.245 0.124 -7.377 1.00 0.00 N ATOM 710 CA LEU A 49 -0.793 1.466 -7.538 1.00 0.00 C ATOM 711 C LEU A 49 0.002 2.480 -6.723 1.00 0.00 C ATOM 712 O LEU A 49 -0.083 2.510 -5.495 1.00 0.00 O ATOM 713 CB LEU A 49 -2.263 1.492 -7.113 1.00 0.00 C ATOM 714 CG LEU A 49 -3.154 0.405 -7.713 1.00 0.00 C ATOM 715 CD1 LEU A 49 -4.434 0.258 -6.904 1.00 0.00 C ATOM 716 CD2 LEU A 49 -3.473 0.718 -9.167 1.00 0.00 C ATOM 0 H LEU A 49 -0.557 -0.360 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.721 1.738 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.308 1.412 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.680 2.463 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.614 -0.541 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.056 -0.520 -7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.187 -0.014 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.977 1.203 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.108 -0.067 -9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.993 1.674 -9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.547 0.771 -9.739 1.00 0.00 H new ATOM 728 N PHE A 50 0.774 3.313 -7.414 1.00 0.00 N ATOM 729 CA PHE A 50 1.584 4.330 -6.754 1.00 0.00 C ATOM 730 C PHE A 50 0.790 5.620 -6.568 1.00 0.00 C ATOM 731 O PHE A 50 0.452 6.299 -7.537 1.00 0.00 O ATOM 732 CB PHE A 50 2.850 4.610 -7.566 1.00 0.00 C ATOM 733 CG PHE A 50 3.819 3.463 -7.580 1.00 0.00 C ATOM 734 CD1 PHE A 50 4.365 2.986 -6.399 1.00 0.00 C ATOM 735 CD2 PHE A 50 4.185 2.861 -8.773 1.00 0.00 C ATOM 736 CE1 PHE A 50 5.258 1.932 -6.408 1.00 0.00 C ATOM 737 CE2 PHE A 50 5.077 1.805 -8.789 1.00 0.00 C ATOM 738 CZ PHE A 50 5.613 1.340 -7.604 1.00 0.00 C ATOM 0 H PHE A 50 0.855 3.303 -8.431 1.00 0.00 H new ATOM 0 HA PHE A 50 1.867 3.953 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.569 4.850 -8.591 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.347 5.490 -7.157 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.089 3.444 -5.460 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.768 3.221 -9.702 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.678 1.571 -5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.354 1.345 -9.726 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.309 0.514 -7.613 1.00 0.00 H new ATOM 748 N ARG A 51 0.497 5.951 -5.314 1.00 0.00 N ATOM 749 CA ARG A 51 -0.258 7.158 -4.999 1.00 0.00 C ATOM 750 C ARG A 51 0.680 8.319 -4.682 1.00 0.00 C ATOM 751 O ARG A 51 1.900 8.176 -4.742 1.00 0.00 O ATOM 752 CB ARG A 51 -1.193 6.905 -3.815 1.00 0.00 C ATOM 753 CG ARG A 51 -2.571 6.409 -4.222 1.00 0.00 C ATOM 754 CD ARG A 51 -3.415 7.528 -4.813 1.00 0.00 C ATOM 755 NE ARG A 51 -3.647 8.603 -3.853 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.623 9.496 -3.971 1.00 0.00 C ATOM 757 NH1 ARG A 51 -5.454 9.442 -5.003 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.770 10.446 -3.056 1.00 0.00 N ATOM 0 H ARG A 51 0.771 5.400 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.853 7.423 -5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.734 6.173 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.302 7.828 -3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.469 5.605 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.079 5.989 -3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.917 7.931 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.372 7.124 -5.144 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.025 8.672 -3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.344 8.713 -5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.203 10.129 -5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.133 10.491 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.520 11.131 -3.148 1.00 0.00 H new ATOM 772 N GLU A 52 0.100 9.467 -4.346 1.00 0.00 N ATOM 773 CA GLU A 52 0.885 10.652 -4.022 1.00 0.00 C ATOM 774 C GLU A 52 1.389 10.593 -2.583 1.00 0.00 C ATOM 775 O GLU A 52 2.539 10.928 -2.304 1.00 0.00 O ATOM 776 CB GLU A 52 0.049 11.917 -4.230 1.00 0.00 C ATOM 777 CG GLU A 52 -1.047 12.100 -3.194 1.00 0.00 C ATOM 778 CD GLU A 52 -2.136 13.048 -3.657 1.00 0.00 C ATOM 779 OE1 GLU A 52 -2.927 12.658 -4.541 1.00 0.00 O ATOM 780 OE2 GLU A 52 -2.196 14.181 -3.136 1.00 0.00 O ATOM 0 H GLU A 52 -0.910 9.601 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 52 1.746 10.680 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.708 12.785 -4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.402 11.885 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.489 11.131 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.609 12.479 -2.271 1.00 0.00 H new ATOM 787 N GLN A 53 0.518 10.166 -1.674 1.00 0.00 N ATOM 788 CA GLN A 53 0.874 10.065 -0.264 1.00 0.00 C ATOM 789 C GLN A 53 0.802 8.618 0.213 1.00 0.00 C ATOM 790 O GLN A 53 0.688 8.354 1.410 1.00 0.00 O ATOM 791 CB GLN A 53 -0.052 10.940 0.582 1.00 0.00 C ATOM 792 CG GLN A 53 0.467 11.194 1.988 1.00 0.00 C ATOM 793 CD GLN A 53 -0.649 11.381 2.997 1.00 0.00 C ATOM 794 OE1 GLN A 53 -1.317 12.415 3.017 1.00 0.00 O ATOM 795 NE2 GLN A 53 -0.857 10.378 3.843 1.00 0.00 N ATOM 0 H GLN A 53 -0.439 9.885 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 53 1.899 10.416 -0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.195 11.896 0.078 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.030 10.464 0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.094 10.357 2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.100 12.082 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.280 9.539 3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.594 10.447 4.545 1.00 0.00 H new ATOM 804 N ASP A 54 0.870 7.685 -0.730 1.00 0.00 N ATOM 805 CA ASP A 54 0.813 6.264 -0.406 1.00 0.00 C ATOM 806 C ASP A 54 1.121 5.414 -1.635 1.00 0.00 C ATOM 807 O ASP A 54 1.389 5.940 -2.715 1.00 0.00 O ATOM 808 CB ASP A 54 -0.565 5.901 0.149 1.00 0.00 C ATOM 809 CG ASP A 54 -1.682 6.677 -0.519 1.00 0.00 C ATOM 810 OD1 ASP A 54 -1.631 7.925 -0.499 1.00 0.00 O ATOM 811 OD2 ASP A 54 -2.608 6.038 -1.061 1.00 0.00 O ATOM 0 H ASP A 54 0.965 7.887 -1.725 1.00 0.00 H new ATOM 0 HA ASP A 54 1.567 6.059 0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.738 4.833 0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.584 6.094 1.222 1.00 0.00 H new ATOM 816 N PHE A 55 1.080 4.097 -1.462 1.00 0.00 N ATOM 817 CA PHE A 55 1.356 3.174 -2.556 1.00 0.00 C ATOM 818 C PHE A 55 0.843 1.774 -2.229 1.00 0.00 C ATOM 819 O PHE A 55 1.316 1.130 -1.292 1.00 0.00 O ATOM 820 CB PHE A 55 2.858 3.124 -2.843 1.00 0.00 C ATOM 821 CG PHE A 55 3.602 2.145 -1.981 1.00 0.00 C ATOM 822 CD1 PHE A 55 3.749 0.825 -2.377 1.00 0.00 C ATOM 823 CD2 PHE A 55 4.152 2.543 -0.773 1.00 0.00 C ATOM 824 CE1 PHE A 55 4.433 -0.079 -1.586 1.00 0.00 C ATOM 825 CE2 PHE A 55 4.837 1.644 0.022 1.00 0.00 C ATOM 826 CZ PHE A 55 4.977 0.331 -0.385 1.00 0.00 C ATOM 0 H PHE A 55 0.858 3.645 -0.575 1.00 0.00 H new ATOM 0 HA PHE A 55 0.835 3.535 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.011 2.863 -3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.281 4.118 -2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.324 0.499 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.044 3.568 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.542 -1.104 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.263 1.967 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.511 -0.373 0.235 1.00 0.00 H new ATOM 836 N THR A 56 -0.128 1.309 -3.009 1.00 0.00 N ATOM 837 CA THR A 56 -0.708 -0.012 -2.802 1.00 0.00 C ATOM 838 C THR A 56 -0.047 -1.049 -3.703 1.00 0.00 C ATOM 839 O THR A 56 0.300 -0.760 -4.849 1.00 0.00 O ATOM 840 CB THR A 56 -2.225 -0.008 -3.070 1.00 0.00 C ATOM 841 OG1 THR A 56 -2.796 1.229 -2.630 1.00 0.00 O ATOM 842 CG2 THR A 56 -2.903 -1.168 -2.356 1.00 0.00 C ATOM 0 H THR A 56 -0.529 1.828 -3.790 1.00 0.00 H new ATOM 0 HA THR A 56 -0.532 -0.275 -1.759 1.00 0.00 H new ATOM 0 HB THR A 56 -2.383 -0.120 -4.143 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.760 1.225 -2.805 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.974 -1.145 -2.560 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.486 -2.109 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.736 -1.082 -1.282 1.00 0.00 H new ATOM 850 N LEU A 57 0.124 -2.258 -3.180 1.00 0.00 N ATOM 851 CA LEU A 57 0.744 -3.339 -3.938 1.00 0.00 C ATOM 852 C LEU A 57 -0.167 -4.562 -3.984 1.00 0.00 C ATOM 853 O LEU A 57 -0.321 -5.272 -2.990 1.00 0.00 O ATOM 854 CB LEU A 57 2.091 -3.716 -3.320 1.00 0.00 C ATOM 855 CG LEU A 57 2.577 -5.141 -3.585 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.020 -5.293 -5.032 1.00 0.00 C ATOM 857 CD2 LEU A 57 3.711 -5.503 -2.637 1.00 0.00 C ATOM 0 H LEU A 57 -0.158 -2.514 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 57 0.905 -2.989 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.845 -3.022 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.027 -3.570 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 57 1.748 -5.826 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.363 -6.314 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.181 -5.077 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.834 -4.598 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.044 -6.521 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.542 -4.813 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.360 -5.435 -1.607 1.00 0.00 H new ATOM 869 N ILE A 58 -0.766 -4.804 -5.145 1.00 0.00 N ATOM 870 CA ILE A 58 -1.658 -5.943 -5.322 1.00 0.00 C ATOM 871 C ILE A 58 -0.959 -7.079 -6.062 1.00 0.00 C ATOM 872 O ILE A 58 -0.572 -6.933 -7.221 1.00 0.00 O ATOM 873 CB ILE A 58 -2.930 -5.547 -6.095 1.00 0.00 C ATOM 874 CG1 ILE A 58 -3.692 -4.455 -5.342 1.00 0.00 C ATOM 875 CG2 ILE A 58 -3.816 -6.764 -6.315 1.00 0.00 C ATOM 876 CD1 ILE A 58 -2.962 -3.131 -5.295 1.00 0.00 C ATOM 0 H ILE A 58 -0.650 -4.226 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.940 -6.281 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.638 -5.154 -7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.663 -4.309 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.882 -4.792 -4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.711 -6.468 -6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.270 -7.512 -6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.103 -7.184 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.561 -2.405 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.002 -3.262 -4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.796 -2.771 -6.310 1.00 0.00 H new ATOM 888 N PHE A 59 -0.803 -8.211 -5.384 1.00 0.00 N ATOM 889 CA PHE A 59 -0.152 -9.373 -5.977 1.00 0.00 C ATOM 890 C PHE A 59 -0.685 -10.666 -5.366 1.00 0.00 C ATOM 891 O PHE A 59 -0.956 -10.732 -4.168 1.00 0.00 O ATOM 892 CB PHE A 59 1.364 -9.290 -5.781 1.00 0.00 C ATOM 893 CG PHE A 59 1.806 -9.613 -4.382 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.678 -10.898 -3.880 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.349 -8.631 -3.569 1.00 0.00 C ATOM 896 CE1 PHE A 59 2.083 -11.197 -2.593 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.757 -8.924 -2.281 1.00 0.00 C ATOM 898 CZ PHE A 59 2.624 -10.209 -1.793 1.00 0.00 C ATOM 0 H PHE A 59 -1.118 -8.348 -4.424 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.374 -9.378 -7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.850 -9.976 -6.475 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.701 -8.286 -6.037 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.257 -11.675 -4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.455 -7.625 -3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.977 -12.202 -2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.179 -8.149 -1.658 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.942 -10.441 -0.787 1.00 0.00 H new ATOM 908 N GLN A 60 -0.833 -11.690 -6.200 1.00 0.00 N ATOM 909 CA GLN A 60 -1.335 -12.980 -5.743 1.00 0.00 C ATOM 910 C GLN A 60 -0.214 -14.013 -5.690 1.00 0.00 C ATOM 911 O GLN A 60 0.264 -14.481 -6.724 1.00 0.00 O ATOM 912 CB GLN A 60 -2.453 -13.472 -6.663 1.00 0.00 C ATOM 913 CG GLN A 60 -3.820 -12.903 -6.317 1.00 0.00 C ATOM 914 CD GLN A 60 -4.794 -12.976 -7.477 1.00 0.00 C ATOM 915 OE1 GLN A 60 -4.623 -13.778 -8.396 1.00 0.00 O ATOM 916 NE2 GLN A 60 -5.823 -12.137 -7.440 1.00 0.00 N ATOM 0 H GLN A 60 -0.613 -11.651 -7.195 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.733 -12.850 -4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.208 -13.208 -7.692 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.499 -14.560 -6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.232 -13.448 -5.467 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.709 -11.864 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.925 -11.489 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.511 -12.140 -8.193 1.00 0.00 H new ATOM 925 N THR A 61 0.203 -14.365 -4.477 1.00 0.00 N ATOM 926 CA THR A 61 1.269 -15.341 -4.289 1.00 0.00 C ATOM 927 C THR A 61 0.701 -16.727 -4.001 1.00 0.00 C ATOM 928 O THR A 61 -0.291 -16.865 -3.286 1.00 0.00 O ATOM 929 CB THR A 61 2.207 -14.934 -3.137 1.00 0.00 C ATOM 930 OG1 THR A 61 3.267 -15.887 -3.008 1.00 0.00 O ATOM 931 CG2 THR A 61 1.442 -14.838 -1.825 1.00 0.00 C ATOM 0 H THR A 61 -0.182 -13.988 -3.611 1.00 0.00 H new ATOM 0 HA THR A 61 1.838 -15.370 -5.218 1.00 0.00 H new ATOM 0 HB THR A 61 2.626 -13.955 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.786 -15.914 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.125 -14.549 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.654 -14.090 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.998 -15.806 -1.591 1.00 0.00 H new ATOM 939 N ARG A 62 1.337 -17.750 -4.563 1.00 0.00 N ATOM 940 CA ARG A 62 0.895 -19.125 -4.366 1.00 0.00 C ATOM 941 C ARG A 62 1.980 -19.953 -3.685 1.00 0.00 C ATOM 942 O ARG A 62 1.930 -21.183 -3.688 1.00 0.00 O ATOM 943 CB ARG A 62 0.521 -19.759 -5.707 1.00 0.00 C ATOM 944 CG ARG A 62 1.709 -19.981 -6.629 1.00 0.00 C ATOM 945 CD ARG A 62 1.277 -20.068 -8.084 1.00 0.00 C ATOM 946 NE ARG A 62 0.618 -21.337 -8.384 1.00 0.00 N ATOM 947 CZ ARG A 62 0.126 -21.645 -9.578 1.00 0.00 C ATOM 948 NH1 ARG A 62 0.218 -20.781 -10.580 1.00 0.00 N ATOM 949 NH2 ARG A 62 -0.460 -22.820 -9.773 1.00 0.00 N ATOM 0 H ARG A 62 2.160 -17.652 -5.158 1.00 0.00 H new ATOM 0 HA ARG A 62 0.016 -19.109 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.031 -20.715 -5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.205 -19.121 -6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.422 -19.165 -6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.224 -20.899 -6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.599 -19.245 -8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.148 -19.951 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 62 0.531 -22.024 -7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.668 -19.877 -10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.161 -21.020 -11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.533 -23.487 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.838 -23.055 -10.691 1.00 0.00 H new ATOM 963 N ASP A 63 2.959 -19.270 -3.101 1.00 0.00 N ATOM 964 CA ASP A 63 4.056 -19.943 -2.415 1.00 0.00 C ATOM 965 C ASP A 63 3.621 -20.421 -1.033 1.00 0.00 C ATOM 966 O ASP A 63 3.348 -19.616 -0.144 1.00 0.00 O ATOM 967 CB ASP A 63 5.258 -19.005 -2.289 1.00 0.00 C ATOM 968 CG ASP A 63 6.552 -19.753 -2.037 1.00 0.00 C ATOM 969 OD1 ASP A 63 6.577 -20.983 -2.251 1.00 0.00 O ATOM 970 OD2 ASP A 63 7.540 -19.108 -1.626 1.00 0.00 O ATOM 0 H ASP A 63 3.015 -18.252 -3.089 1.00 0.00 H new ATOM 0 HA ASP A 63 4.343 -20.812 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.354 -18.417 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.083 -18.303 -1.474 1.00 0.00 H new ATOM 975 N GLY A 64 3.558 -21.738 -0.861 1.00 0.00 N ATOM 976 CA GLY A 64 3.154 -22.301 0.414 1.00 0.00 C ATOM 977 C GLY A 64 3.898 -21.683 1.582 1.00 0.00 C ATOM 978 O GLY A 64 3.429 -21.728 2.719 1.00 0.00 O ATOM 0 H GLY A 64 3.780 -22.425 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.083 -22.153 0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.328 -23.377 0.404 1.00 0.00 H new ATOM 982 N ASN A 65 5.062 -21.107 1.302 1.00 0.00 N ATOM 983 CA ASN A 65 5.874 -20.480 2.339 1.00 0.00 C ATOM 984 C ASN A 65 5.281 -19.137 2.756 1.00 0.00 C ATOM 985 O ASN A 65 5.347 -18.753 3.924 1.00 0.00 O ATOM 986 CB ASN A 65 7.308 -20.285 1.845 1.00 0.00 C ATOM 987 CG ASN A 65 8.138 -21.549 1.967 1.00 0.00 C ATOM 988 OD1 ASN A 65 8.302 -22.094 3.058 1.00 0.00 O ATOM 989 ND2 ASN A 65 8.666 -22.021 0.843 1.00 0.00 N ATOM 0 H ASN A 65 5.465 -21.061 0.366 1.00 0.00 H new ATOM 0 HA ASN A 65 5.883 -21.139 3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.290 -19.964 0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.781 -19.486 2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.234 -22.868 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.504 -21.536 -0.040 1.00 0.00 H new ATOM 996 N PHE A 66 4.702 -18.428 1.793 1.00 0.00 N ATOM 997 CA PHE A 66 4.097 -17.128 2.059 1.00 0.00 C ATOM 998 C PHE A 66 2.635 -17.281 2.469 1.00 0.00 C ATOM 999 O PHE A 66 2.138 -16.547 3.325 1.00 0.00 O ATOM 1000 CB PHE A 66 4.201 -16.231 0.824 1.00 0.00 C ATOM 1001 CG PHE A 66 3.765 -14.815 1.073 1.00 0.00 C ATOM 1002 CD1 PHE A 66 2.427 -14.511 1.261 1.00 0.00 C ATOM 1003 CD2 PHE A 66 4.695 -13.788 1.120 1.00 0.00 C ATOM 1004 CE1 PHE A 66 2.023 -13.209 1.489 1.00 0.00 C ATOM 1005 CE2 PHE A 66 4.297 -12.484 1.349 1.00 0.00 C ATOM 1006 CZ PHE A 66 2.960 -12.194 1.535 1.00 0.00 C ATOM 0 H PHE A 66 4.639 -18.732 0.821 1.00 0.00 H new ATOM 0 HA PHE A 66 4.640 -16.665 2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.233 -16.229 0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.593 -16.655 0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.691 -15.300 1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.742 -14.009 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.976 -12.985 1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.031 -11.693 1.382 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.647 -11.176 1.716 1.00 0.00 H new ATOM 1016 N LEU A 67 1.952 -18.239 1.852 1.00 0.00 N ATOM 1017 CA LEU A 67 0.546 -18.489 2.152 1.00 0.00 C ATOM 1018 C LEU A 67 0.376 -18.999 3.579 1.00 0.00 C ATOM 1019 O LEU A 67 -0.426 -18.467 4.347 1.00 0.00 O ATOM 1020 CB LEU A 67 -0.033 -19.503 1.163 1.00 0.00 C ATOM 1021 CG LEU A 67 -0.358 -18.969 -0.232 1.00 0.00 C ATOM 1022 CD1 LEU A 67 -1.060 -20.034 -1.061 1.00 0.00 C ATOM 1023 CD2 LEU A 67 -1.214 -17.715 -0.137 1.00 0.00 C ATOM 0 H LEU A 67 2.348 -18.855 1.142 1.00 0.00 H new ATOM 0 HA LEU A 67 0.006 -17.547 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.675 -20.325 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.944 -19.920 1.592 1.00 0.00 H new ATOM 0 HG LEU A 67 0.577 -18.710 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.284 -19.636 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.412 -20.905 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.988 -20.325 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.436 -17.349 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.146 -17.949 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.675 -16.948 0.419 1.00 0.00 H new ATOM 1035 N ARG A 68 1.136 -20.032 3.928 1.00 0.00 N ATOM 1036 CA ARG A 68 1.070 -20.613 5.263 1.00 0.00 C ATOM 1037 C ARG A 68 1.036 -19.522 6.330 1.00 0.00 C ATOM 1038 O ARG A 68 0.366 -19.661 7.354 1.00 0.00 O ATOM 1039 CB ARG A 68 2.267 -21.536 5.501 1.00 0.00 C ATOM 1040 CG ARG A 68 3.562 -20.793 5.788 1.00 0.00 C ATOM 1041 CD ARG A 68 4.774 -21.686 5.578 1.00 0.00 C ATOM 1042 NE ARG A 68 4.943 -22.644 6.667 1.00 0.00 N ATOM 1043 CZ ARG A 68 6.102 -23.220 6.966 1.00 0.00 C ATOM 1044 NH1 ARG A 68 7.189 -22.935 6.262 1.00 0.00 N ATOM 1045 NH2 ARG A 68 6.176 -24.082 7.972 1.00 0.00 N ATOM 0 H ARG A 68 1.805 -20.484 3.304 1.00 0.00 H new ATOM 0 HA ARG A 68 0.151 -21.195 5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.044 -22.197 6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.407 -22.168 4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.634 -19.921 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.552 -20.426 6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.669 -22.223 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.669 -21.069 5.496 1.00 0.00 H new ATOM 0 HE ARG A 68 4.126 -22.884 7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.136 -22.272 5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.078 -23.379 6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.342 -24.303 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.067 -24.524 8.201 1.00 0.00 H new ATOM 1059 N LEU A 69 1.762 -18.437 6.083 1.00 0.00 N ATOM 1060 CA LEU A 69 1.816 -17.322 7.022 1.00 0.00 C ATOM 1061 C LEU A 69 0.435 -16.703 7.211 1.00 0.00 C ATOM 1062 O LEU A 69 0.036 -16.377 8.329 1.00 0.00 O ATOM 1063 CB LEU A 69 2.800 -16.261 6.528 1.00 0.00 C ATOM 1064 CG LEU A 69 4.099 -16.784 5.913 1.00 0.00 C ATOM 1065 CD1 LEU A 69 4.992 -15.628 5.489 1.00 0.00 C ATOM 1066 CD2 LEU A 69 4.826 -17.691 6.895 1.00 0.00 C ATOM 0 H LEU A 69 2.321 -18.306 5.240 1.00 0.00 H new ATOM 0 HA LEU A 69 2.157 -17.705 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.294 -15.642 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.054 -15.612 7.366 1.00 0.00 H new ATOM 0 HG LEU A 69 3.850 -17.367 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.912 -16.019 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.472 -15.018 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.234 -15.017 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.748 -18.054 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.063 -17.132 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.188 -18.538 7.149 1.00 0.00 H new ATOM 1078 N HIS A 70 -0.293 -16.544 6.109 1.00 0.00 N ATOM 1079 CA HIS A 70 -1.631 -15.966 6.154 1.00 0.00 C ATOM 1080 C HIS A 70 -2.695 -17.045 5.976 1.00 0.00 C ATOM 1081 O HIS A 70 -3.071 -17.402 4.860 1.00 0.00 O ATOM 1082 CB HIS A 70 -1.785 -14.899 5.070 1.00 0.00 C ATOM 1083 CG HIS A 70 -0.778 -13.794 5.170 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -1.091 -12.530 5.625 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.542 -13.770 4.873 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.006 -11.776 5.602 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.998 -12.504 5.149 1.00 0.00 N ATOM 0 H HIS A 70 0.022 -16.807 5.175 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.767 -15.503 7.131 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.698 -15.371 4.092 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.787 -14.473 5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.128 -14.593 4.490 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.050 -10.740 5.903 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.957 -12.179 5.024 1.00 0.00 H new ATOM 1096 N PRO A 71 -3.192 -17.579 7.102 1.00 0.00 N ATOM 1097 CA PRO A 71 -4.218 -18.625 7.097 1.00 0.00 C ATOM 1098 C PRO A 71 -5.574 -18.104 6.630 1.00 0.00 C ATOM 1099 O PRO A 71 -5.882 -16.924 6.783 1.00 0.00 O ATOM 1100 CB PRO A 71 -4.289 -19.060 8.563 1.00 0.00 C ATOM 1101 CG PRO A 71 -3.818 -17.875 9.333 1.00 0.00 C ATOM 1102 CD PRO A 71 -2.789 -17.201 8.468 1.00 0.00 C ATOM 0 HA PRO A 71 -3.972 -19.434 6.410 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.305 -19.337 8.845 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.658 -19.929 8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.645 -17.200 9.554 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.388 -18.176 10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.795 -16.120 8.604 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.781 -17.546 8.700 1.00 0.00 H new ATOM 1110 N GLY A 72 -6.380 -18.995 6.059 1.00 0.00 N ATOM 1111 CA GLY A 72 -7.693 -18.606 5.578 1.00 0.00 C ATOM 1112 C GLY A 72 -7.675 -18.180 4.124 1.00 0.00 C ATOM 1113 O GLY A 72 -8.721 -18.112 3.477 1.00 0.00 O ATOM 0 H GLY A 72 -6.147 -19.978 5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.383 -19.441 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.072 -17.787 6.189 1.00 0.00 H new ATOM 1117 N CYS A 73 -6.485 -17.892 3.608 1.00 0.00 N ATOM 1118 CA CYS A 73 -6.336 -17.468 2.220 1.00 0.00 C ATOM 1119 C CYS A 73 -5.654 -18.552 1.391 1.00 0.00 C ATOM 1120 O CYS A 73 -5.280 -19.602 1.911 1.00 0.00 O ATOM 1121 CB CYS A 73 -5.531 -16.170 2.146 1.00 0.00 C ATOM 1122 SG CYS A 73 -6.365 -14.741 2.877 1.00 0.00 S ATOM 0 H CYS A 73 -5.610 -17.944 4.129 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.331 -17.294 1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.577 -16.318 2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.308 -15.952 1.101 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.478 -13.915 3.348 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.498 -18.289 0.097 1.00 0.00 N ATOM 1129 CA GLY A 74 -4.864 -19.252 -0.784 1.00 0.00 C ATOM 1130 C GLY A 74 -4.137 -18.591 -1.939 1.00 0.00 C ATOM 1131 O GLY A 74 -3.865 -17.390 -1.923 1.00 0.00 O ATOM 0 H GLY A 74 -5.799 -17.427 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.158 -19.854 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.619 -19.933 -1.176 1.00 0.00 H new ATOM 1135 N PRO A 75 -3.809 -19.384 -2.969 1.00 0.00 N ATOM 1136 CA PRO A 75 -3.104 -18.890 -4.155 1.00 0.00 C ATOM 1137 C PRO A 75 -3.977 -17.977 -5.010 1.00 0.00 C ATOM 1138 O PRO A 75 -3.478 -17.063 -5.668 1.00 0.00 O ATOM 1139 CB PRO A 75 -2.759 -20.170 -4.921 1.00 0.00 C ATOM 1140 CG PRO A 75 -3.784 -21.160 -4.486 1.00 0.00 C ATOM 1141 CD PRO A 75 -4.102 -20.825 -3.055 1.00 0.00 C ATOM 0 HA PRO A 75 -2.235 -18.287 -3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.796 -20.009 -5.998 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.752 -20.513 -4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.676 -21.097 -5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.405 -22.178 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.143 -21.038 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.490 -21.402 -2.362 1.00 0.00 H new ATOM 1149 N HIS A 76 -5.282 -18.229 -4.995 1.00 0.00 N ATOM 1150 CA HIS A 76 -6.224 -17.428 -5.768 1.00 0.00 C ATOM 1151 C HIS A 76 -6.752 -16.261 -4.940 1.00 0.00 C ATOM 1152 O HIS A 76 -7.694 -15.576 -5.341 1.00 0.00 O ATOM 1153 CB HIS A 76 -7.387 -18.295 -6.250 1.00 0.00 C ATOM 1154 CG HIS A 76 -7.714 -19.427 -5.325 1.00 0.00 C ATOM 1155 ND1 HIS A 76 -7.752 -19.291 -3.954 1.00 0.00 N ATOM 1156 CD2 HIS A 76 -8.021 -20.720 -5.583 1.00 0.00 C ATOM 1157 CE1 HIS A 76 -8.066 -20.452 -3.407 1.00 0.00 C ATOM 1158 NE2 HIS A 76 -8.235 -21.336 -4.374 1.00 0.00 N ATOM 0 H HIS A 76 -5.711 -18.981 -4.456 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.697 -17.027 -6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.271 -17.668 -6.371 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.145 -18.698 -7.233 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.086 -21.181 -6.557 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.167 -20.645 -2.349 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -8.484 -22.317 -4.244 1.00 0.00 H new ATOM 1167 N THR A 77 -6.141 -16.040 -3.780 1.00 0.00 N ATOM 1168 CA THR A 77 -6.550 -14.957 -2.895 1.00 0.00 C ATOM 1169 C THR A 77 -5.754 -13.688 -3.173 1.00 0.00 C ATOM 1170 O THR A 77 -4.527 -13.676 -3.069 1.00 0.00 O ATOM 1171 CB THR A 77 -6.375 -15.346 -1.414 1.00 0.00 C ATOM 1172 OG1 THR A 77 -7.213 -16.463 -1.099 1.00 0.00 O ATOM 1173 CG2 THR A 77 -6.716 -14.176 -0.504 1.00 0.00 C ATOM 0 H THR A 77 -5.361 -16.597 -3.432 1.00 0.00 H new ATOM 0 HA THR A 77 -7.606 -14.770 -3.092 1.00 0.00 H new ATOM 0 HB THR A 77 -5.332 -15.619 -1.253 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.477 -16.418 -0.156 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.585 -14.474 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.056 -13.337 -0.727 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.751 -13.877 -0.668 1.00 0.00 H new ATOM 1181 N THR A 78 -6.459 -12.618 -3.527 1.00 0.00 N ATOM 1182 CA THR A 78 -5.818 -11.343 -3.821 1.00 0.00 C ATOM 1183 C THR A 78 -5.293 -10.685 -2.549 1.00 0.00 C ATOM 1184 O THR A 78 -6.006 -10.584 -1.551 1.00 0.00 O ATOM 1185 CB THR A 78 -6.788 -10.374 -4.523 1.00 0.00 C ATOM 1186 OG1 THR A 78 -7.395 -11.019 -5.648 1.00 0.00 O ATOM 1187 CG2 THR A 78 -6.062 -9.119 -4.982 1.00 0.00 C ATOM 0 H THR A 78 -7.475 -12.610 -3.617 1.00 0.00 H new ATOM 0 HA THR A 78 -4.983 -11.556 -4.488 1.00 0.00 H new ATOM 0 HB THR A 78 -7.560 -10.087 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.011 -10.397 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.768 -8.450 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.626 -8.615 -4.120 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.271 -9.391 -5.681 1.00 0.00 H new ATOM 1195 N PHE A 79 -4.042 -10.239 -2.593 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.421 -9.591 -1.443 1.00 0.00 C ATOM 1197 C PHE A 79 -3.062 -8.143 -1.763 1.00 0.00 C ATOM 1198 O PHE A 79 -2.250 -7.875 -2.648 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.167 -10.356 -1.015 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.449 -11.756 -0.550 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.344 -11.991 0.481 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -1.819 -12.838 -1.145 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.605 -13.278 0.911 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -2.076 -14.128 -0.719 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.971 -14.348 0.309 1.00 0.00 C ATOM 0 H PHE A 79 -3.438 -10.314 -3.412 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.139 -9.597 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.470 -10.393 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.673 -9.808 -0.213 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.844 -11.159 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.119 -12.671 -1.951 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.304 -13.447 1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.577 -14.962 -1.190 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.175 -15.355 0.642 1.00 0.00 H new ATOM 1215 N ARG A 80 -3.675 -7.213 -1.037 1.00 0.00 N ATOM 1216 CA ARG A 80 -3.422 -5.793 -1.244 1.00 0.00 C ATOM 1217 C ARG A 80 -2.673 -5.195 -0.057 1.00 0.00 C ATOM 1218 O ARG A 80 -3.178 -5.183 1.066 1.00 0.00 O ATOM 1219 CB ARG A 80 -4.739 -5.044 -1.459 1.00 0.00 C ATOM 1220 CG ARG A 80 -4.562 -3.656 -2.052 1.00 0.00 C ATOM 1221 CD ARG A 80 -5.769 -3.247 -2.882 1.00 0.00 C ATOM 1222 NE ARG A 80 -6.764 -2.535 -2.085 1.00 0.00 N ATOM 1223 CZ ARG A 80 -7.713 -3.142 -1.381 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -7.794 -4.465 -1.375 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -8.583 -2.425 -0.681 1.00 0.00 N ATOM 0 H ARG A 80 -4.350 -7.418 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.802 -5.687 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.378 -5.632 -2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.258 -4.958 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.409 -2.934 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.667 -3.636 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.444 -2.613 -3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.224 -4.134 -3.322 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.728 -1.516 -2.068 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.127 -5.019 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.524 -4.929 -0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.523 -1.407 -0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.311 -2.892 -0.141 1.00 0.00 H new ATOM 1239 N TRP A 81 -1.467 -4.701 -0.313 1.00 0.00 N ATOM 1240 CA TRP A 81 -0.648 -4.103 0.735 1.00 0.00 C ATOM 1241 C TRP A 81 -0.627 -2.583 0.608 1.00 0.00 C ATOM 1242 O TRP A 81 0.100 -2.031 -0.217 1.00 0.00 O ATOM 1243 CB TRP A 81 0.778 -4.652 0.672 1.00 0.00 C ATOM 1244 CG TRP A 81 1.577 -4.372 1.908 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.108 -4.299 3.189 1.00 0.00 C ATOM 1246 CD2 TRP A 81 2.986 -4.126 1.981 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.140 -4.022 4.053 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.302 -3.913 3.337 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.011 -4.068 1.033 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 4.600 -3.645 3.765 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.298 -3.802 1.460 1.00 0.00 C ATOM 1252 CH2 TRP A 81 5.584 -3.594 2.816 1.00 0.00 C ATOM 0 H TRP A 81 -1.035 -4.703 -1.237 1.00 0.00 H new ATOM 0 HA TRP A 81 -1.087 -4.363 1.698 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.738 -5.729 0.510 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.289 -4.219 -0.188 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.077 -4.439 3.480 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.054 -3.915 5.064 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.801 -4.228 -0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.822 -3.483 4.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.098 -3.754 0.736 1.00 0.00 H new ATOM 0 HH2 TRP A 81 6.601 -3.390 3.118 1.00 0.00 H new ATOM 1263 N GLN A 82 -1.429 -1.914 1.430 1.00 0.00 N ATOM 1264 CA GLN A 82 -1.501 -0.458 1.409 1.00 0.00 C ATOM 1265 C GLN A 82 -0.569 0.149 2.452 1.00 0.00 C ATOM 1266 O GLN A 82 -0.640 -0.187 3.634 1.00 0.00 O ATOM 1267 CB GLN A 82 -2.937 0.006 1.659 1.00 0.00 C ATOM 1268 CG GLN A 82 -3.153 1.487 1.392 1.00 0.00 C ATOM 1269 CD GLN A 82 -4.565 1.937 1.711 1.00 0.00 C ATOM 1270 OE1 GLN A 82 -4.914 2.146 2.873 1.00 0.00 O ATOM 1271 NE2 GLN A 82 -5.385 2.091 0.679 1.00 0.00 N ATOM 0 H GLN A 82 -2.038 -2.357 2.118 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.183 -0.118 0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.612 -0.571 1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.205 -0.211 2.693 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.448 2.066 1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.936 1.699 0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.053 1.907 -0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.347 2.394 0.833 1.00 0.00 H new ATOM 1280 N VAL A 83 0.306 1.045 2.007 1.00 0.00 N ATOM 1281 CA VAL A 83 1.252 1.700 2.902 1.00 0.00 C ATOM 1282 C VAL A 83 1.056 3.212 2.899 1.00 0.00 C ATOM 1283 O VAL A 83 1.125 3.856 1.852 1.00 0.00 O ATOM 1284 CB VAL A 83 2.708 1.382 2.511 1.00 0.00 C ATOM 1285 CG1 VAL A 83 3.678 2.144 3.400 1.00 0.00 C ATOM 1286 CG2 VAL A 83 2.964 -0.116 2.589 1.00 0.00 C ATOM 0 H VAL A 83 0.379 1.334 1.032 1.00 0.00 H new ATOM 0 HA VAL A 83 1.059 1.313 3.903 1.00 0.00 H new ATOM 0 HB VAL A 83 2.869 1.702 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.701 1.907 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.508 3.215 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.521 1.857 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.997 -0.324 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.787 -0.463 3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.292 -0.636 1.906 1.00 0.00 H new ATOM 1296 N LYS A 84 0.811 3.774 4.078 1.00 0.00 N ATOM 1297 CA LYS A 84 0.606 5.211 4.213 1.00 0.00 C ATOM 1298 C LYS A 84 1.929 5.928 4.461 1.00 0.00 C ATOM 1299 O LYS A 84 2.507 5.831 5.544 1.00 0.00 O ATOM 1300 CB LYS A 84 -0.366 5.503 5.359 1.00 0.00 C ATOM 1301 CG LYS A 84 -1.133 6.803 5.189 1.00 0.00 C ATOM 1302 CD LYS A 84 -2.356 6.850 6.089 1.00 0.00 C ATOM 1303 CE LYS A 84 -3.045 8.204 6.022 1.00 0.00 C ATOM 1304 NZ LYS A 84 -4.028 8.272 4.905 1.00 0.00 N ATOM 0 H LYS A 84 0.750 3.255 4.954 1.00 0.00 H new ATOM 0 HA LYS A 84 0.181 5.581 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.076 4.680 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.190 5.539 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.479 7.645 5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.441 6.912 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.057 6.069 5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.061 6.641 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.554 8.400 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.297 8.986 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.476 9.211 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.539 8.111 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.757 7.542 5.039 1.00 0.00 H new ATOM 1318 N LEU A 85 2.404 6.649 3.451 1.00 0.00 N ATOM 1319 CA LEU A 85 3.659 7.385 3.559 1.00 0.00 C ATOM 1320 C LEU A 85 3.456 8.702 4.301 1.00 0.00 C ATOM 1321 O LEU A 85 2.736 9.585 3.833 1.00 0.00 O ATOM 1322 CB LEU A 85 4.237 7.654 2.169 1.00 0.00 C ATOM 1323 CG LEU A 85 4.169 6.491 1.178 1.00 0.00 C ATOM 1324 CD1 LEU A 85 4.105 7.010 -0.250 1.00 0.00 C ATOM 1325 CD2 LEU A 85 5.364 5.566 1.358 1.00 0.00 C ATOM 0 H LEU A 85 1.939 6.740 2.548 1.00 0.00 H new ATOM 0 HA LEU A 85 4.362 6.774 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.710 8.505 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.280 7.949 2.282 1.00 0.00 H new ATOM 0 HG LEU A 85 3.261 5.922 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.057 6.169 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.217 7.631 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.995 7.603 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.299 4.744 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.285 6.123 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.365 5.167 2.372 1.00 0.00 H new ATOM 1337 N ARG A 86 4.095 8.829 5.459 1.00 0.00 N ATOM 1338 CA ARG A 86 3.986 10.038 6.265 1.00 0.00 C ATOM 1339 C ARG A 86 4.217 11.282 5.412 1.00 0.00 C ATOM 1340 O ARG A 86 3.599 12.323 5.634 1.00 0.00 O ATOM 1341 CB ARG A 86 4.992 10.003 7.417 1.00 0.00 C ATOM 1342 CG ARG A 86 4.448 9.357 8.680 1.00 0.00 C ATOM 1343 CD ARG A 86 5.037 9.993 9.929 1.00 0.00 C ATOM 1344 NE ARG A 86 4.722 11.416 10.020 1.00 0.00 N ATOM 1345 CZ ARG A 86 4.976 12.158 11.092 1.00 0.00 C ATOM 1346 NH1 ARG A 86 5.546 11.615 12.159 1.00 0.00 N ATOM 1347 NH2 ARG A 86 4.659 13.447 11.099 1.00 0.00 N ATOM 0 H ARG A 86 4.695 8.108 5.860 1.00 0.00 H new ATOM 0 HA ARG A 86 2.977 10.081 6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.881 9.461 7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.305 11.022 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.362 9.452 8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.675 8.291 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.655 9.480 10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.119 9.861 9.927 1.00 0.00 H new ATOM 0 HE ARG A 86 4.283 11.865 9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.791 10.625 12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.740 12.188 12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.220 13.869 10.281 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.855 14.016 11.923 1.00 0.00 H new ATOM 1361 N ASN A 87 5.112 11.167 4.436 1.00 0.00 N ATOM 1362 CA ASN A 87 5.425 12.282 3.550 1.00 0.00 C ATOM 1363 C ASN A 87 4.927 12.010 2.134 1.00 0.00 C ATOM 1364 O ASN A 87 4.574 10.879 1.796 1.00 0.00 O ATOM 1365 CB ASN A 87 6.934 12.537 3.532 1.00 0.00 C ATOM 1366 CG ASN A 87 7.412 13.266 4.773 1.00 0.00 C ATOM 1367 OD1 ASN A 87 6.708 13.326 5.781 1.00 0.00 O ATOM 1368 ND2 ASN A 87 8.615 13.824 4.705 1.00 0.00 N ATOM 0 H ASN A 87 5.633 10.313 4.239 1.00 0.00 H new ATOM 0 HA ASN A 87 4.917 13.169 3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.459 11.586 3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.190 13.122 2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.990 14.327 5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.164 13.749 3.849 1.00 0.00 H new ATOM 1375 N LEU A 88 4.902 13.052 1.311 1.00 0.00 N ATOM 1376 CA LEU A 88 4.447 12.926 -0.069 1.00 0.00 C ATOM 1377 C LEU A 88 5.527 12.294 -0.942 1.00 0.00 C ATOM 1378 O LEU A 88 6.697 12.245 -0.561 1.00 0.00 O ATOM 1379 CB LEU A 88 4.062 14.297 -0.628 1.00 0.00 C ATOM 1380 CG LEU A 88 2.634 14.762 -0.338 1.00 0.00 C ATOM 1381 CD1 LEU A 88 2.375 16.117 -0.977 1.00 0.00 C ATOM 1382 CD2 LEU A 88 1.628 13.734 -0.835 1.00 0.00 C ATOM 0 H LEU A 88 5.191 13.994 1.575 1.00 0.00 H new ATOM 0 HA LEU A 88 3.571 12.278 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.753 15.038 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.205 14.280 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 88 2.516 14.864 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.354 16.432 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.074 16.849 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.510 16.042 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.617 14.081 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.745 13.601 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.800 12.783 -0.331 1.00 0.00 H new ATOM 1394 N ILE A 89 5.127 11.814 -2.115 1.00 0.00 N ATOM 1395 CA ILE A 89 6.061 11.189 -3.043 1.00 0.00 C ATOM 1396 C ILE A 89 5.645 11.433 -4.489 1.00 0.00 C ATOM 1397 O ILE A 89 4.664 12.127 -4.754 1.00 0.00 O ATOM 1398 CB ILE A 89 6.165 9.671 -2.800 1.00 0.00 C ATOM 1399 CG1 ILE A 89 4.783 9.022 -2.896 1.00 0.00 C ATOM 1400 CG2 ILE A 89 6.794 9.394 -1.443 1.00 0.00 C ATOM 1401 CD1 ILE A 89 4.821 7.590 -3.385 1.00 0.00 C ATOM 0 H ILE A 89 4.162 11.846 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 89 7.035 11.645 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 89 6.804 9.237 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.308 9.050 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.160 9.611 -3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.861 8.317 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.793 9.828 -1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.179 9.838 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.807 7.193 -3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.267 7.557 -4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.417 6.987 -2.700 1.00 0.00 H new ATOM 1413 N GLU A 90 6.398 10.857 -5.421 1.00 0.00 N ATOM 1414 CA GLU A 90 6.107 11.013 -6.842 1.00 0.00 C ATOM 1415 C GLU A 90 5.838 9.659 -7.493 1.00 0.00 C ATOM 1416 O GLU A 90 6.750 8.973 -7.955 1.00 0.00 O ATOM 1417 CB GLU A 90 7.269 11.711 -7.550 1.00 0.00 C ATOM 1418 CG GLU A 90 7.130 13.223 -7.604 1.00 0.00 C ATOM 1419 CD GLU A 90 6.403 13.698 -8.847 1.00 0.00 C ATOM 1420 OE1 GLU A 90 6.849 13.354 -9.962 1.00 0.00 O ATOM 1421 OE2 GLU A 90 5.389 14.413 -8.705 1.00 0.00 O ATOM 0 H GLU A 90 7.213 10.279 -5.218 1.00 0.00 H new ATOM 0 HA GLU A 90 5.212 11.628 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.199 11.458 -7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.348 11.325 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.593 13.567 -6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.121 13.677 -7.571 1.00 0.00 H new ATOM 1428 N PRO A 91 4.557 9.265 -7.531 1.00 0.00 N ATOM 1429 CA PRO A 91 4.138 7.991 -8.123 1.00 0.00 C ATOM 1430 C PRO A 91 4.288 7.980 -9.640 1.00 0.00 C ATOM 1431 O PRO A 91 4.210 6.927 -10.272 1.00 0.00 O ATOM 1432 CB PRO A 91 2.662 7.887 -7.731 1.00 0.00 C ATOM 1433 CG PRO A 91 2.221 9.296 -7.534 1.00 0.00 C ATOM 1434 CD PRO A 91 3.418 10.033 -6.999 1.00 0.00 C ATOM 0 HA PRO A 91 4.747 7.158 -7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 91 2.079 7.395 -8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.535 7.302 -6.820 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.881 9.733 -8.473 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.386 9.350 -6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.437 11.068 -7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.422 10.055 -5.909 1.00 0.00 H new ATOM 1442 N GLU A 92 4.505 9.157 -10.218 1.00 0.00 N ATOM 1443 CA GLU A 92 4.666 9.281 -11.662 1.00 0.00 C ATOM 1444 C GLU A 92 6.009 8.713 -12.110 1.00 0.00 C ATOM 1445 O GLU A 92 6.187 8.359 -13.275 1.00 0.00 O ATOM 1446 CB GLU A 92 4.552 10.746 -12.086 1.00 0.00 C ATOM 1447 CG GLU A 92 3.173 11.342 -11.854 1.00 0.00 C ATOM 1448 CD GLU A 92 3.196 12.857 -11.788 1.00 0.00 C ATOM 1449 OE1 GLU A 92 3.805 13.480 -12.683 1.00 0.00 O ATOM 1450 OE2 GLU A 92 2.605 13.419 -10.842 1.00 0.00 O ATOM 0 H GLU A 92 4.573 10.038 -9.709 1.00 0.00 H new ATOM 0 HA GLU A 92 3.871 8.709 -12.141 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.289 11.333 -11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.801 10.830 -13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.506 11.027 -12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.763 10.948 -10.924 1.00 0.00 H new ATOM 1457 N GLN A 93 6.952 8.631 -11.176 1.00 0.00 N ATOM 1458 CA GLN A 93 8.279 8.108 -11.475 1.00 0.00 C ATOM 1459 C GLN A 93 8.500 6.761 -10.795 1.00 0.00 C ATOM 1460 O GLN A 93 9.443 6.038 -11.119 1.00 0.00 O ATOM 1461 CB GLN A 93 9.354 9.101 -11.029 1.00 0.00 C ATOM 1462 CG GLN A 93 8.975 10.554 -11.262 1.00 0.00 C ATOM 1463 CD GLN A 93 10.180 11.440 -11.509 1.00 0.00 C ATOM 1464 OE1 GLN A 93 11.061 11.102 -12.300 1.00 0.00 O ATOM 1465 NE2 GLN A 93 10.225 12.581 -10.832 1.00 0.00 N ATOM 0 H GLN A 93 6.821 8.920 -10.207 1.00 0.00 H new ATOM 0 HA GLN A 93 8.351 7.965 -12.553 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.556 8.953 -9.968 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.280 8.886 -11.563 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.301 10.617 -12.117 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.427 10.926 -10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.473 12.821 -10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.012 13.218 -10.957 1.00 0.00 H new ATOM 1474 N CYS A 94 7.626 6.431 -9.851 1.00 0.00 N ATOM 1475 CA CYS A 94 7.726 5.171 -9.123 1.00 0.00 C ATOM 1476 C CYS A 94 7.649 3.984 -10.078 1.00 0.00 C ATOM 1477 O CYS A 94 6.921 4.017 -11.070 1.00 0.00 O ATOM 1478 CB CYS A 94 6.614 5.072 -8.077 1.00 0.00 C ATOM 1479 SG CYS A 94 6.863 6.132 -6.633 1.00 0.00 S ATOM 0 H CYS A 94 6.840 7.018 -9.572 1.00 0.00 H new ATOM 0 HA CYS A 94 8.692 5.147 -8.619 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.665 5.332 -8.546 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.533 4.037 -7.745 1.00 0.00 H new ATOM 0 HG CYS A 94 6.932 7.373 -7.013 1.00 0.00 H new ATOM 1485 N THR A 95 8.407 2.935 -9.772 1.00 0.00 N ATOM 1486 CA THR A 95 8.427 1.739 -10.604 1.00 0.00 C ATOM 1487 C THR A 95 8.218 0.483 -9.766 1.00 0.00 C ATOM 1488 O THR A 95 8.697 0.392 -8.636 1.00 0.00 O ATOM 1489 CB THR A 95 9.755 1.613 -11.375 1.00 0.00 C ATOM 1490 OG1 THR A 95 10.849 1.534 -10.455 1.00 0.00 O ATOM 1491 CG2 THR A 95 9.954 2.798 -12.308 1.00 0.00 C ATOM 0 H THR A 95 9.015 2.890 -8.954 1.00 0.00 H new ATOM 0 HA THR A 95 7.609 1.837 -11.318 1.00 0.00 H new ATOM 0 HB THR A 95 9.718 0.703 -11.974 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.689 1.452 -10.952 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.898 2.687 -12.841 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.134 2.838 -13.026 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.972 3.720 -11.727 1.00 0.00 H new ATOM 1499 N PHE A 96 7.500 -0.484 -10.327 1.00 0.00 N ATOM 1500 CA PHE A 96 7.227 -1.736 -9.631 1.00 0.00 C ATOM 1501 C PHE A 96 7.543 -2.934 -10.522 1.00 0.00 C ATOM 1502 O PHE A 96 7.000 -3.066 -11.619 1.00 0.00 O ATOM 1503 CB PHE A 96 5.764 -1.789 -9.187 1.00 0.00 C ATOM 1504 CG PHE A 96 4.820 -2.205 -10.279 1.00 0.00 C ATOM 1505 CD1 PHE A 96 4.614 -3.546 -10.560 1.00 0.00 C ATOM 1506 CD2 PHE A 96 4.140 -1.255 -11.024 1.00 0.00 C ATOM 1507 CE1 PHE A 96 3.746 -3.932 -11.564 1.00 0.00 C ATOM 1508 CE2 PHE A 96 3.271 -1.636 -12.029 1.00 0.00 C ATOM 1509 CZ PHE A 96 3.075 -2.976 -12.301 1.00 0.00 C ATOM 0 H PHE A 96 7.097 -0.425 -11.262 1.00 0.00 H new ATOM 0 HA PHE A 96 7.869 -1.780 -8.751 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.671 -2.485 -8.353 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.469 -0.807 -8.818 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.137 -4.298 -9.988 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.291 -0.206 -10.817 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.593 -4.981 -11.772 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.745 -0.886 -12.602 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.399 -3.275 -13.088 1.00 0.00 H new ATOM 1519 N CYS A 97 8.424 -3.804 -10.041 1.00 0.00 N ATOM 1520 CA CYS A 97 8.815 -4.991 -10.794 1.00 0.00 C ATOM 1521 C CYS A 97 9.166 -6.140 -9.853 1.00 0.00 C ATOM 1522 O CYS A 97 9.828 -5.941 -8.834 1.00 0.00 O ATOM 1523 CB CYS A 97 10.005 -4.677 -11.701 1.00 0.00 C ATOM 1524 SG CYS A 97 10.226 -5.848 -13.061 1.00 0.00 S ATOM 0 H CYS A 97 8.881 -3.710 -9.134 1.00 0.00 H new ATOM 0 HA CYS A 97 7.969 -5.295 -11.410 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.879 -3.676 -12.114 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.913 -4.661 -11.098 1.00 0.00 H new ATOM 0 HG CYS A 97 11.256 -5.497 -13.773 1.00 0.00 H new ATOM 1530 N PHE A 98 8.718 -7.341 -10.202 1.00 0.00 N ATOM 1531 CA PHE A 98 8.983 -8.522 -9.388 1.00 0.00 C ATOM 1532 C PHE A 98 10.381 -9.069 -9.662 1.00 0.00 C ATOM 1533 O PHE A 98 10.971 -8.804 -10.710 1.00 0.00 O ATOM 1534 CB PHE A 98 7.937 -9.603 -9.664 1.00 0.00 C ATOM 1535 CG PHE A 98 6.523 -9.099 -9.600 1.00 0.00 C ATOM 1536 CD1 PHE A 98 5.968 -8.417 -10.671 1.00 0.00 C ATOM 1537 CD2 PHE A 98 5.750 -9.308 -8.470 1.00 0.00 C ATOM 1538 CE1 PHE A 98 4.668 -7.952 -10.616 1.00 0.00 C ATOM 1539 CE2 PHE A 98 4.448 -8.846 -8.409 1.00 0.00 C ATOM 1540 CZ PHE A 98 3.907 -8.166 -9.483 1.00 0.00 C ATOM 0 H PHE A 98 8.170 -7.523 -11.043 1.00 0.00 H new ATOM 0 HA PHE A 98 8.925 -8.230 -8.339 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.118 -10.029 -10.651 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.060 -10.409 -8.941 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.558 -8.247 -11.559 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.169 -9.838 -7.627 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.247 -7.422 -11.458 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.855 -9.017 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.891 -7.802 -9.437 1.00 0.00 H new ATOM 1550 N THR A 99 10.907 -9.835 -8.711 1.00 0.00 N ATOM 1551 CA THR A 99 12.236 -10.419 -8.848 1.00 0.00 C ATOM 1552 C THR A 99 12.197 -11.928 -8.639 1.00 0.00 C ATOM 1553 O THR A 99 11.125 -12.520 -8.511 1.00 0.00 O ATOM 1554 CB THR A 99 13.228 -9.798 -7.846 1.00 0.00 C ATOM 1555 OG1 THR A 99 13.280 -10.590 -6.654 1.00 0.00 O ATOM 1556 CG2 THR A 99 12.825 -8.373 -7.498 1.00 0.00 C ATOM 0 H THR A 99 10.433 -10.065 -7.838 1.00 0.00 H new ATOM 0 HA THR A 99 12.573 -10.204 -9.862 1.00 0.00 H new ATOM 0 HB THR A 99 14.214 -9.776 -8.310 1.00 0.00 H new ATOM 0 HG1 THR A 99 14.140 -11.058 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.540 -7.955 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.815 -7.766 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.831 -8.375 -7.052 1.00 0.00 H new ATOM 1564 N ALA A 100 13.373 -12.546 -8.603 1.00 0.00 N ATOM 1565 CA ALA A 100 13.473 -13.987 -8.407 1.00 0.00 C ATOM 1566 C ALA A 100 12.469 -14.470 -7.366 1.00 0.00 C ATOM 1567 O ALA A 100 11.450 -15.071 -7.705 1.00 0.00 O ATOM 1568 CB ALA A 100 14.888 -14.366 -7.994 1.00 0.00 C ATOM 0 H ALA A 100 14.270 -12.071 -8.707 1.00 0.00 H new ATOM 0 HA ALA A 100 13.239 -14.475 -9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.949 -15.445 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.588 -14.063 -8.773 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.142 -13.862 -7.062 1.00 0.00 H new ATOM 1574 N SER A 101 12.764 -14.204 -6.097 1.00 0.00 N ATOM 1575 CA SER A 101 11.889 -14.616 -5.006 1.00 0.00 C ATOM 1576 C SER A 101 11.478 -13.417 -4.157 1.00 0.00 C ATOM 1577 O SER A 101 11.068 -13.569 -3.006 1.00 0.00 O ATOM 1578 CB SER A 101 12.585 -15.660 -4.132 1.00 0.00 C ATOM 1579 OG SER A 101 13.988 -15.456 -4.113 1.00 0.00 O ATOM 0 H SER A 101 13.602 -13.705 -5.800 1.00 0.00 H new ATOM 0 HA SER A 101 10.991 -15.057 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.193 -15.608 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.365 -16.659 -4.508 1.00 0.00 H new ATOM 0 HG SER A 101 14.410 -16.135 -3.546 1.00 0.00 H new ATOM 1585 N ARG A 102 11.590 -12.225 -4.734 1.00 0.00 N ATOM 1586 CA ARG A 102 11.232 -10.999 -4.031 1.00 0.00 C ATOM 1587 C ARG A 102 10.746 -9.934 -5.009 1.00 0.00 C ATOM 1588 O ARG A 102 10.954 -10.045 -6.218 1.00 0.00 O ATOM 1589 CB ARG A 102 12.431 -10.471 -3.240 1.00 0.00 C ATOM 1590 CG ARG A 102 13.490 -9.812 -4.107 1.00 0.00 C ATOM 1591 CD ARG A 102 14.387 -8.894 -3.291 1.00 0.00 C ATOM 1592 NE ARG A 102 15.423 -8.271 -4.109 1.00 0.00 N ATOM 1593 CZ ARG A 102 16.484 -8.922 -4.572 1.00 0.00 C ATOM 1594 NH1 ARG A 102 16.648 -10.209 -4.299 1.00 0.00 N ATOM 1595 NH2 ARG A 102 17.384 -8.286 -5.311 1.00 0.00 N ATOM 0 H ARG A 102 11.926 -12.082 -5.686 1.00 0.00 H new ATOM 0 HA ARG A 102 10.422 -11.230 -3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.079 -9.751 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 102 12.885 -11.296 -2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.096 -10.579 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 102 13.008 -9.240 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.781 -8.119 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.854 -9.464 -2.488 1.00 0.00 H new ATOM 0 HE ARG A 102 15.327 -7.282 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.958 -10.702 -3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.464 -10.706 -4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.261 -7.296 -5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.198 -8.787 -5.666 1.00 0.00 H new ATOM 1609 N ILE A 103 10.097 -8.903 -4.478 1.00 0.00 N ATOM 1610 CA ILE A 103 9.582 -7.818 -5.304 1.00 0.00 C ATOM 1611 C ILE A 103 10.394 -6.543 -5.107 1.00 0.00 C ATOM 1612 O ILE A 103 10.803 -6.222 -3.991 1.00 0.00 O ATOM 1613 CB ILE A 103 8.103 -7.525 -4.990 1.00 0.00 C ATOM 1614 CG1 ILE A 103 7.308 -8.830 -4.904 1.00 0.00 C ATOM 1615 CG2 ILE A 103 7.509 -6.606 -6.047 1.00 0.00 C ATOM 1616 CD1 ILE A 103 6.072 -8.729 -4.038 1.00 0.00 C ATOM 0 H ILE A 103 9.915 -8.796 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 103 9.668 -8.143 -6.341 1.00 0.00 H new ATOM 0 HB ILE A 103 8.045 -7.022 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.014 -9.134 -5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.954 -9.614 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.463 -6.408 -5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.061 -5.666 -6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.576 -7.084 -7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.559 -9.690 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.360 -8.456 -3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.405 -7.968 -4.443 1.00 0.00 H new ATOM 1628 N ASP A 104 10.623 -5.820 -6.197 1.00 0.00 N ATOM 1629 CA ASP A 104 11.385 -4.577 -6.144 1.00 0.00 C ATOM 1630 C ASP A 104 10.504 -3.384 -6.502 1.00 0.00 C ATOM 1631 O ASP A 104 9.939 -3.323 -7.595 1.00 0.00 O ATOM 1632 CB ASP A 104 12.581 -4.646 -7.094 1.00 0.00 C ATOM 1633 CG ASP A 104 13.810 -5.242 -6.435 1.00 0.00 C ATOM 1634 OD1 ASP A 104 13.815 -5.367 -5.192 1.00 0.00 O ATOM 1635 OD2 ASP A 104 14.765 -5.585 -7.162 1.00 0.00 O ATOM 0 H ASP A 104 10.292 -6.073 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 104 11.748 -4.445 -5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.315 -5.243 -7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.815 -3.644 -7.453 1.00 0.00 H new ATOM 1640 N ILE A 105 10.390 -2.440 -5.575 1.00 0.00 N ATOM 1641 CA ILE A 105 9.578 -1.249 -5.793 1.00 0.00 C ATOM 1642 C ILE A 105 10.382 0.020 -5.533 1.00 0.00 C ATOM 1643 O ILE A 105 10.744 0.316 -4.394 1.00 0.00 O ATOM 1644 CB ILE A 105 8.330 -1.246 -4.891 1.00 0.00 C ATOM 1645 CG1 ILE A 105 7.452 -2.463 -5.193 1.00 0.00 C ATOM 1646 CG2 ILE A 105 7.542 0.042 -5.081 1.00 0.00 C ATOM 1647 CD1 ILE A 105 6.673 -2.958 -3.995 1.00 0.00 C ATOM 0 H ILE A 105 10.850 -2.476 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 105 9.263 -1.269 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 105 8.652 -1.303 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.754 -2.208 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 105 8.081 -3.271 -5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.663 0.029 -4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.170 0.894 -4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.228 0.126 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.073 -3.822 -4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.366 -3.244 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.018 -2.165 -3.634 1.00 0.00 H new ATOM 1659 N CYS A 106 10.657 0.768 -6.596 1.00 0.00 N ATOM 1660 CA CYS A 106 11.418 2.007 -6.484 1.00 0.00 C ATOM 1661 C CYS A 106 10.488 3.200 -6.289 1.00 0.00 C ATOM 1662 O CYS A 106 9.722 3.557 -7.185 1.00 0.00 O ATOM 1663 CB CYS A 106 12.280 2.215 -7.729 1.00 0.00 C ATOM 1664 SG CYS A 106 13.690 3.318 -7.474 1.00 0.00 S ATOM 0 H CYS A 106 10.364 0.538 -7.546 1.00 0.00 H new ATOM 0 HA CYS A 106 12.067 1.929 -5.612 1.00 0.00 H new ATOM 0 HB2 CYS A 106 12.647 1.247 -8.070 1.00 0.00 H new ATOM 0 HB3 CYS A 106 11.656 2.618 -8.527 1.00 0.00 H new ATOM 0 HG CYS A 106 14.360 3.430 -8.583 1.00 0.00 H new ATOM 1670 N LEU A 107 10.558 3.813 -5.112 1.00 0.00 N ATOM 1671 CA LEU A 107 9.721 4.966 -4.799 1.00 0.00 C ATOM 1672 C LEU A 107 10.526 6.259 -4.873 1.00 0.00 C ATOM 1673 O LEU A 107 11.629 6.347 -4.333 1.00 0.00 O ATOM 1674 CB LEU A 107 9.108 4.812 -3.405 1.00 0.00 C ATOM 1675 CG LEU A 107 8.056 3.713 -3.252 1.00 0.00 C ATOM 1676 CD1 LEU A 107 8.063 3.162 -1.835 1.00 0.00 C ATOM 1677 CD2 LEU A 107 6.676 4.242 -3.615 1.00 0.00 C ATOM 0 H LEU A 107 11.186 3.531 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 107 8.921 5.015 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.913 4.618 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.655 5.762 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 107 8.303 2.901 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.308 2.381 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.045 2.745 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.841 3.964 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.940 3.447 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.419 5.072 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.679 4.587 -4.649 1.00 0.00 H new ATOM 1689 N ARG A 108 9.966 7.261 -5.543 1.00 0.00 N ATOM 1690 CA ARG A 108 10.631 8.550 -5.686 1.00 0.00 C ATOM 1691 C ARG A 108 10.051 9.572 -4.713 1.00 0.00 C ATOM 1692 O ARG A 108 8.839 9.779 -4.661 1.00 0.00 O ATOM 1693 CB ARG A 108 10.494 9.062 -7.122 1.00 0.00 C ATOM 1694 CG ARG A 108 11.095 10.441 -7.337 1.00 0.00 C ATOM 1695 CD ARG A 108 12.606 10.423 -7.169 1.00 0.00 C ATOM 1696 NE ARG A 108 13.279 9.855 -8.334 1.00 0.00 N ATOM 1697 CZ ARG A 108 13.366 10.473 -9.506 1.00 0.00 C ATOM 1698 NH1 ARG A 108 12.826 11.673 -9.669 1.00 0.00 N ATOM 1699 NH2 ARG A 108 13.995 9.891 -10.519 1.00 0.00 N ATOM 0 H ARG A 108 9.053 7.205 -5.995 1.00 0.00 H new ATOM 0 HA ARG A 108 11.687 8.413 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.976 8.356 -7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.438 9.090 -7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.843 10.797 -8.336 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.657 11.144 -6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.964 11.439 -7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.865 9.844 -6.282 1.00 0.00 H new ATOM 0 HE ARG A 108 13.706 8.933 -8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.342 12.124 -8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.895 12.145 -10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.412 8.968 -10.398 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.061 10.366 -11.419 1.00 0.00 H new ATOM 1713 N LYS A 109 10.926 10.209 -3.942 1.00 0.00 N ATOM 1714 CA LYS A 109 10.503 11.211 -2.970 1.00 0.00 C ATOM 1715 C LYS A 109 10.335 12.575 -3.632 1.00 0.00 C ATOM 1716 O LYS A 109 10.811 12.797 -4.746 1.00 0.00 O ATOM 1717 CB LYS A 109 11.521 11.307 -1.831 1.00 0.00 C ATOM 1718 CG LYS A 109 11.627 10.039 -1.001 1.00 0.00 C ATOM 1719 CD LYS A 109 12.048 10.341 0.427 1.00 0.00 C ATOM 1720 CE LYS A 109 13.550 10.556 0.532 1.00 0.00 C ATOM 1721 NZ LYS A 109 14.276 9.283 0.798 1.00 0.00 N ATOM 0 H LYS A 109 11.933 10.049 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 109 9.539 10.903 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.500 11.541 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 109 11.247 12.136 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.666 9.524 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 109 12.349 9.363 -1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.527 11.230 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.751 9.518 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.919 10.998 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.760 11.267 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 15.297 9.472 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.942 8.874 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.097 8.613 0.023 1.00 0.00 H new