USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=20 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 153:sc= 0.675 USER MOD Set 1.2: A 60 GLN : amide:sc= 0.593 K(o=1.3,f=0.23) USER MOD Set 1.3: A 78 THR OG1 : rot 180:sc= 0.026 USER MOD Set 2.1: A 76 HIS : no HD1:sc= 0.11 K(o=0.95,f=-0.92!) USER MOD Set 2.2: A 77 THR OG1 : rot -130:sc= 0.838 USER MOD Single : A 16 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.47 K(o=-1.5,f=-6.3!) USER MOD Single : A 24 SER OG : rot 68:sc= 0.64 USER MOD Single : A 25 TYR OH : rot 165:sc= -0.364 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -3.34 X(o=-3.3,f=-3.6) 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=-0.00395 USER MOD Single : A 46 SER OG : rot 107:sc= 0.608 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 49:sc= 0.556 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.862 F(o=-1.8!,f=-0.86) USER MOD Single : A 70 HIS : no HD1:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 73 CYS SG : rot 140:sc= -3.61! USER MOD Single : A 82 GLN : amide:sc=-1.16e-05 X(o=-1.2e-05,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0994 X(o=-0.099,f=-0.46) USER MOD Single : A 94 CYS SG : rot 61:sc= -3.1 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 102:sc= -4.34! 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 -8.327 -9.422 -0.104 1.00 0.00 N ATOM 167 CA VAL A 15 -7.742 -9.480 1.230 1.00 0.00 C ATOM 168 C VAL A 15 -6.597 -8.483 1.371 1.00 0.00 C ATOM 169 O VAL A 15 -5.605 -8.555 0.647 1.00 0.00 O ATOM 170 CB VAL A 15 -7.220 -10.893 1.552 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.540 -10.913 2.913 1.00 0.00 C ATOM 172 CG2 VAL A 15 -8.355 -11.905 1.499 1.00 0.00 C ATOM 0 HA VAL A 15 -8.533 -9.223 1.935 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.482 -11.170 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.177 -11.919 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.700 -10.218 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.254 -10.616 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.968 -12.898 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.118 -11.635 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.793 -11.909 0.501 1.00 0.00 H new ATOM 182 N ASN A 16 -6.743 -7.553 2.310 1.00 0.00 N ATOM 183 CA ASN A 16 -5.720 -6.540 2.547 1.00 0.00 C ATOM 184 C ASN A 16 -4.683 -7.038 3.549 1.00 0.00 C ATOM 185 O ASN A 16 -5.023 -7.438 4.664 1.00 0.00 O ATOM 186 CB ASN A 16 -6.362 -5.249 3.059 1.00 0.00 C ATOM 187 CG ASN A 16 -6.905 -4.388 1.935 1.00 0.00 C ATOM 188 OD1 ASN A 16 -6.414 -3.286 1.689 1.00 0.00 O ATOM 189 ND2 ASN A 16 -7.924 -4.888 1.246 1.00 0.00 N ATOM 0 H ASN A 16 -7.558 -7.480 2.918 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.217 -6.338 1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.171 -5.497 3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.625 -4.680 3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.331 -4.354 0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.299 -5.806 1.485 1.00 0.00 H new ATOM 196 N LEU A 17 -3.418 -7.011 3.145 1.00 0.00 N ATOM 197 CA LEU A 17 -2.330 -7.459 4.008 1.00 0.00 C ATOM 198 C LEU A 17 -2.016 -6.415 5.075 1.00 0.00 C ATOM 199 O LEU A 17 -1.883 -5.229 4.777 1.00 0.00 O ATOM 200 CB LEU A 17 -1.079 -7.746 3.176 1.00 0.00 C ATOM 201 CG LEU A 17 -1.278 -8.638 1.950 1.00 0.00 C ATOM 202 CD1 LEU A 17 -0.224 -8.339 0.895 1.00 0.00 C ATOM 203 CD2 LEU A 17 -1.238 -10.107 2.346 1.00 0.00 C ATOM 0 H LEU A 17 -3.120 -6.684 2.226 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.647 -8.376 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.661 -6.795 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.336 -8.212 3.823 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.259 -8.424 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.382 -8.983 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.301 -7.296 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.767 -8.523 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.381 -10.727 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.272 -10.336 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.032 -10.312 3.065 1.00 0.00 H new ATOM 215 N ALA A 18 -1.897 -6.866 6.320 1.00 0.00 N ATOM 216 CA ALA A 18 -1.595 -5.973 7.430 1.00 0.00 C ATOM 217 C ALA A 18 -0.089 -5.820 7.618 1.00 0.00 C ATOM 218 O ALA A 18 0.387 -4.783 8.080 1.00 0.00 O ATOM 219 CB ALA A 18 -2.239 -6.484 8.710 1.00 0.00 C ATOM 0 H ALA A 18 -2.005 -7.845 6.584 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.007 -4.992 7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.005 -5.806 9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.320 -6.534 8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.855 -7.478 8.939 1.00 0.00 H new ATOM 225 N PHE A 19 0.655 -6.861 7.258 1.00 0.00 N ATOM 226 CA PHE A 19 2.108 -6.843 7.389 1.00 0.00 C ATOM 227 C PHE A 19 2.755 -7.795 6.388 1.00 0.00 C ATOM 228 O PHE A 19 2.454 -8.988 6.364 1.00 0.00 O ATOM 229 CB PHE A 19 2.517 -7.226 8.813 1.00 0.00 C ATOM 230 CG PHE A 19 3.877 -7.859 8.895 1.00 0.00 C ATOM 231 CD1 PHE A 19 4.975 -7.252 8.307 1.00 0.00 C ATOM 232 CD2 PHE A 19 4.057 -9.060 9.562 1.00 0.00 C ATOM 233 CE1 PHE A 19 6.227 -7.833 8.381 1.00 0.00 C ATOM 234 CE2 PHE A 19 5.307 -9.646 9.639 1.00 0.00 C ATOM 235 CZ PHE A 19 6.393 -9.030 9.049 1.00 0.00 C ATOM 0 H PHE A 19 0.276 -7.727 6.874 1.00 0.00 H new ATOM 0 HA PHE A 19 2.455 -5.831 7.178 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.501 -6.334 9.439 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.779 -7.916 9.222 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.851 -6.315 7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.211 -9.544 10.027 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.075 -7.351 7.917 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.434 -10.584 10.160 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.371 -9.484 9.110 1.00 0.00 H new ATOM 245 N VAL A 20 3.648 -7.258 5.562 1.00 0.00 N ATOM 246 CA VAL A 20 4.339 -8.059 4.558 1.00 0.00 C ATOM 247 C VAL A 20 5.848 -8.023 4.771 1.00 0.00 C ATOM 248 O VAL A 20 6.459 -6.953 4.789 1.00 0.00 O ATOM 249 CB VAL A 20 4.021 -7.569 3.133 1.00 0.00 C ATOM 250 CG1 VAL A 20 5.032 -8.122 2.140 1.00 0.00 C ATOM 251 CG2 VAL A 20 2.605 -7.962 2.739 1.00 0.00 C ATOM 0 H VAL A 20 3.910 -6.272 5.568 1.00 0.00 H new ATOM 0 HA VAL A 20 3.983 -9.083 4.670 1.00 0.00 H new ATOM 0 HB VAL A 20 4.090 -6.481 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.791 -7.765 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.032 -7.786 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.998 -9.211 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.397 -7.608 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.506 -9.047 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.896 -7.513 3.434 1.00 0.00 H new ATOM 261 N LYS A 21 6.446 -9.198 4.932 1.00 0.00 N ATOM 262 CA LYS A 21 7.885 -9.303 5.142 1.00 0.00 C ATOM 263 C LYS A 21 8.651 -8.682 3.978 1.00 0.00 C ATOM 264 O LYS A 21 8.713 -9.250 2.889 1.00 0.00 O ATOM 265 CB LYS A 21 8.291 -10.770 5.308 1.00 0.00 C ATOM 266 CG LYS A 21 9.476 -10.971 6.238 1.00 0.00 C ATOM 267 CD LYS A 21 10.663 -10.120 5.819 1.00 0.00 C ATOM 268 CE LYS A 21 11.689 -10.006 6.937 1.00 0.00 C ATOM 269 NZ LYS A 21 11.374 -8.887 7.867 1.00 0.00 N ATOM 0 H LYS A 21 5.956 -10.092 4.921 1.00 0.00 H new ATOM 0 HA LYS A 21 8.135 -8.757 6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.440 -11.333 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.533 -11.184 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.187 -10.717 7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.764 -12.022 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.131 -10.556 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.318 -9.125 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.724 -10.942 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.679 -9.853 6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.096 -8.843 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.365 -7.990 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.440 -9.045 8.297 1.00 0.00 H new ATOM 283 N ASN A 22 9.236 -7.513 4.218 1.00 0.00 N ATOM 284 CA ASN A 22 9.999 -6.815 3.190 1.00 0.00 C ATOM 285 C ASN A 22 11.056 -5.910 3.817 1.00 0.00 C ATOM 286 O ASN A 22 11.051 -5.679 5.027 1.00 0.00 O ATOM 287 CB ASN A 22 9.065 -5.988 2.305 1.00 0.00 C ATOM 288 CG ASN A 22 8.716 -4.648 2.924 1.00 0.00 C ATOM 289 OD1 ASN A 22 9.059 -3.595 2.386 1.00 0.00 O ATOM 290 ND2 ASN A 22 8.032 -4.683 4.061 1.00 0.00 N ATOM 0 H ASN A 22 9.196 -7.029 5.115 1.00 0.00 H new ATOM 0 HA ASN A 22 10.503 -7.562 2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.537 -5.825 1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.149 -6.550 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.769 -3.814 4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.769 -5.579 4.471 1.00 0.00 H new ATOM 297 N ASP A 23 11.959 -5.401 2.987 1.00 0.00 N ATOM 298 CA ASP A 23 13.022 -4.521 3.459 1.00 0.00 C ATOM 299 C ASP A 23 13.372 -3.477 2.403 1.00 0.00 C ATOM 300 O ASP A 23 13.654 -3.813 1.253 1.00 0.00 O ATOM 301 CB ASP A 23 14.265 -5.334 3.821 1.00 0.00 C ATOM 302 CG ASP A 23 15.082 -4.685 4.921 1.00 0.00 C ATOM 303 OD1 ASP A 23 14.551 -4.529 6.040 1.00 0.00 O ATOM 304 OD2 ASP A 23 16.252 -4.332 4.662 1.00 0.00 O ATOM 0 H ASP A 23 11.977 -5.582 1.983 1.00 0.00 H new ATOM 0 HA ASP A 23 12.663 -4.005 4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.963 -6.332 4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.887 -5.456 2.934 1.00 0.00 H new ATOM 309 N SER A 24 13.350 -2.209 2.801 1.00 0.00 N ATOM 310 CA SER A 24 13.660 -1.115 1.888 1.00 0.00 C ATOM 311 C SER A 24 14.864 -0.320 2.383 1.00 0.00 C ATOM 312 O SER A 24 14.953 0.025 3.561 1.00 0.00 O ATOM 313 CB SER A 24 12.451 -0.191 1.736 1.00 0.00 C ATOM 314 OG SER A 24 12.857 1.140 1.471 1.00 0.00 O ATOM 0 H SER A 24 13.121 -1.914 3.750 1.00 0.00 H new ATOM 0 HA SER A 24 13.904 -1.543 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.815 -0.549 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.852 -0.218 2.646 1.00 0.00 H new ATOM 0 HG SER A 24 13.265 1.186 0.581 1.00 0.00 H new ATOM 320 N TYR A 25 15.788 -0.031 1.473 1.00 0.00 N ATOM 321 CA TYR A 25 16.989 0.723 1.816 1.00 0.00 C ATOM 322 C TYR A 25 16.967 2.105 1.171 1.00 0.00 C ATOM 323 O TYR A 25 16.344 2.306 0.130 1.00 0.00 O ATOM 324 CB TYR A 25 18.238 -0.040 1.372 1.00 0.00 C ATOM 325 CG TYR A 25 18.267 -0.347 -0.108 1.00 0.00 C ATOM 326 CD1 TYR A 25 18.802 0.560 -1.015 1.00 0.00 C ATOM 327 CD2 TYR A 25 17.757 -1.542 -0.600 1.00 0.00 C ATOM 328 CE1 TYR A 25 18.829 0.284 -2.369 1.00 0.00 C ATOM 329 CE2 TYR A 25 17.782 -1.827 -1.951 1.00 0.00 C ATOM 330 CZ TYR A 25 18.319 -0.911 -2.832 1.00 0.00 C ATOM 331 OH TYR A 25 18.344 -1.190 -4.179 1.00 0.00 O ATOM 0 H TYR A 25 15.729 -0.307 0.493 1.00 0.00 H new ATOM 0 HA TYR A 25 17.013 0.848 2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 25 19.121 0.544 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.300 -0.975 1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 25 19.203 1.496 -0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 25 17.334 -2.261 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 25 19.247 1.000 -3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 25 17.383 -2.762 -2.316 1.00 0.00 H new ATOM 0 HH TYR A 25 18.175 -2.145 -4.318 1.00 0.00 H new ATOM 341 N GLU A 26 17.653 3.055 1.800 1.00 0.00 N ATOM 342 CA GLU A 26 17.713 4.419 1.288 1.00 0.00 C ATOM 343 C GLU A 26 18.646 4.508 0.084 1.00 0.00 C ATOM 344 O GLU A 26 19.851 4.283 0.199 1.00 0.00 O ATOM 345 CB GLU A 26 18.183 5.378 2.383 1.00 0.00 C ATOM 346 CG GLU A 26 17.198 5.520 3.532 1.00 0.00 C ATOM 347 CD GLU A 26 17.859 5.995 4.811 1.00 0.00 C ATOM 348 OE1 GLU A 26 18.839 6.765 4.722 1.00 0.00 O ATOM 349 OE2 GLU A 26 17.397 5.597 5.901 1.00 0.00 O ATOM 0 H GLU A 26 18.174 2.905 2.664 1.00 0.00 H new ATOM 0 HA GLU A 26 16.710 4.705 0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.138 5.028 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 26 18.359 6.360 1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.415 6.223 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.715 4.560 3.712 1.00 0.00 H new ATOM 356 N LYS A 27 18.080 4.836 -1.073 1.00 0.00 N ATOM 357 CA LYS A 27 18.859 4.956 -2.299 1.00 0.00 C ATOM 358 C LYS A 27 18.785 6.375 -2.854 1.00 0.00 C ATOM 359 O LYS A 27 17.825 7.102 -2.601 1.00 0.00 O ATOM 360 CB LYS A 27 18.356 3.961 -3.347 1.00 0.00 C ATOM 361 CG LYS A 27 19.001 4.135 -4.711 1.00 0.00 C ATOM 362 CD LYS A 27 18.296 3.306 -5.771 1.00 0.00 C ATOM 363 CE LYS A 27 18.834 1.884 -5.817 1.00 0.00 C ATOM 364 NZ LYS A 27 18.733 1.296 -7.181 1.00 0.00 N ATOM 0 H LYS A 27 17.084 5.023 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 27 19.899 4.731 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.543 2.947 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.276 4.069 -3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.976 5.187 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.050 3.844 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.226 3.285 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.424 3.776 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.876 1.879 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.280 1.263 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.110 0.327 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.736 1.277 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.282 1.873 -7.849 1.00 0.00 H new ATOM 378 N GLY A 28 19.805 6.763 -3.614 1.00 0.00 N ATOM 379 CA GLY A 28 19.835 8.093 -4.194 1.00 0.00 C ATOM 380 C GLY A 28 19.342 9.156 -3.232 1.00 0.00 C ATOM 381 O GLY A 28 19.258 8.938 -2.023 1.00 0.00 O ATOM 0 H GLY A 28 20.611 6.180 -3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.854 8.329 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.220 8.108 -5.094 1.00 0.00 H new ATOM 385 N PRO A 29 19.008 10.338 -3.771 1.00 0.00 N ATOM 386 CA PRO A 29 18.516 11.462 -2.969 1.00 0.00 C ATOM 387 C PRO A 29 17.120 11.211 -2.412 1.00 0.00 C ATOM 388 O PRO A 29 16.882 11.366 -1.214 1.00 0.00 O ATOM 389 CB PRO A 29 18.493 12.625 -3.965 1.00 0.00 C ATOM 390 CG PRO A 29 18.351 11.977 -5.299 1.00 0.00 C ATOM 391 CD PRO A 29 19.083 10.667 -5.204 1.00 0.00 C ATOM 0 HA PRO A 29 19.142 11.643 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.663 13.303 -3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.408 13.215 -3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.301 11.820 -5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 29 18.774 12.604 -6.084 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.613 9.899 -5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 29 20.115 10.758 -5.542 1.00 0.00 H new ATOM 399 N ASP A 30 16.200 10.821 -3.287 1.00 0.00 N ATOM 400 CA ASP A 30 14.826 10.546 -2.882 1.00 0.00 C ATOM 401 C ASP A 30 14.388 9.162 -3.351 1.00 0.00 C ATOM 402 O ASP A 30 13.198 8.848 -3.365 1.00 0.00 O ATOM 403 CB ASP A 30 13.883 11.610 -3.444 1.00 0.00 C ATOM 404 CG ASP A 30 14.375 12.184 -4.759 1.00 0.00 C ATOM 405 OD1 ASP A 30 15.034 11.444 -5.518 1.00 0.00 O ATOM 406 OD2 ASP A 30 14.101 13.372 -5.027 1.00 0.00 O ATOM 0 H ASP A 30 16.381 10.688 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 30 14.783 10.572 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.894 11.175 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.774 12.415 -2.717 1.00 0.00 H new ATOM 411 N SER A 31 15.358 8.338 -3.734 1.00 0.00 N ATOM 412 CA SER A 31 15.072 6.989 -4.208 1.00 0.00 C ATOM 413 C SER A 31 14.921 6.022 -3.037 1.00 0.00 C ATOM 414 O SER A 31 15.768 5.971 -2.146 1.00 0.00 O ATOM 415 CB SER A 31 16.185 6.507 -5.141 1.00 0.00 C ATOM 416 OG SER A 31 16.532 7.509 -6.082 1.00 0.00 O ATOM 0 H SER A 31 16.349 8.581 -3.725 1.00 0.00 H new ATOM 0 HA SER A 31 14.132 7.016 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.063 6.235 -4.555 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.860 5.608 -5.665 1.00 0.00 H new ATOM 0 HG SER A 31 17.246 7.177 -6.665 1.00 0.00 H new ATOM 422 N VAL A 32 13.834 5.257 -3.047 1.00 0.00 N ATOM 423 CA VAL A 32 13.570 4.291 -1.988 1.00 0.00 C ATOM 424 C VAL A 32 13.205 2.928 -2.565 1.00 0.00 C ATOM 425 O VAL A 32 12.102 2.733 -3.077 1.00 0.00 O ATOM 426 CB VAL A 32 12.431 4.766 -1.066 1.00 0.00 C ATOM 427 CG1 VAL A 32 12.049 3.671 -0.081 1.00 0.00 C ATOM 428 CG2 VAL A 32 12.836 6.036 -0.332 1.00 0.00 C ATOM 0 H VAL A 32 13.122 5.288 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 32 14.487 4.202 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 32 11.559 4.990 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.243 4.025 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.716 2.789 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.914 3.413 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.020 6.358 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.722 5.840 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.056 6.820 -1.056 1.00 0.00 H new ATOM 438 N VAL A 33 14.139 1.986 -2.480 1.00 0.00 N ATOM 439 CA VAL A 33 13.917 0.639 -2.993 1.00 0.00 C ATOM 440 C VAL A 33 13.299 -0.259 -1.927 1.00 0.00 C ATOM 441 O VAL A 33 13.617 -0.145 -0.743 1.00 0.00 O ATOM 442 CB VAL A 33 15.229 0.003 -3.488 1.00 0.00 C ATOM 443 CG1 VAL A 33 15.030 -1.477 -3.775 1.00 0.00 C ATOM 444 CG2 VAL A 33 15.740 0.730 -4.723 1.00 0.00 C ATOM 0 H VAL A 33 15.057 2.131 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 33 13.228 0.729 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 33 15.978 0.098 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.968 -1.909 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.713 -1.985 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.266 -1.599 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.668 0.268 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.995 0.668 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.924 1.776 -4.479 1.00 0.00 H new ATOM 454 N VAL A 34 12.415 -1.155 -2.356 1.00 0.00 N ATOM 455 CA VAL A 34 11.754 -2.075 -1.439 1.00 0.00 C ATOM 456 C VAL A 34 11.942 -3.522 -1.882 1.00 0.00 C ATOM 457 O VAL A 34 11.817 -3.842 -3.064 1.00 0.00 O ATOM 458 CB VAL A 34 10.247 -1.775 -1.331 1.00 0.00 C ATOM 459 CG1 VAL A 34 9.593 -2.684 -0.303 1.00 0.00 C ATOM 460 CG2 VAL A 34 10.020 -0.311 -0.982 1.00 0.00 C ATOM 0 H VAL A 34 12.141 -1.263 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 34 12.216 -1.934 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 34 9.785 -1.971 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.529 -2.457 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.725 -3.724 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.055 -2.524 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.950 -0.116 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.495 -0.087 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.452 0.320 -1.759 1.00 0.00 H new ATOM 470 N HIS A 35 12.242 -4.394 -0.924 1.00 0.00 N ATOM 471 CA HIS A 35 12.446 -5.809 -1.215 1.00 0.00 C ATOM 472 C HIS A 35 11.433 -6.669 -0.467 1.00 0.00 C ATOM 473 O HIS A 35 11.576 -6.916 0.731 1.00 0.00 O ATOM 474 CB HIS A 35 13.867 -6.229 -0.838 1.00 0.00 C ATOM 475 CG HIS A 35 14.917 -5.688 -1.759 1.00 0.00 C ATOM 476 ND1 HIS A 35 16.086 -6.361 -2.045 1.00 0.00 N ATOM 477 CD2 HIS A 35 14.968 -4.532 -2.462 1.00 0.00 C ATOM 478 CE1 HIS A 35 16.811 -5.641 -2.883 1.00 0.00 C ATOM 479 NE2 HIS A 35 16.155 -4.527 -3.152 1.00 0.00 N ATOM 0 H HIS A 35 12.349 -4.146 0.060 1.00 0.00 H new ATOM 0 HA HIS A 35 12.303 -5.959 -2.285 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.079 -5.894 0.177 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.926 -7.317 -0.833 1.00 0.00 H new ATOM 0 HD1 HIS A 35 16.350 -7.272 -1.669 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.215 -3.758 -2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.777 -5.917 -3.281 1.00 0.00 H new ATOM 488 N VAL A 36 10.408 -7.123 -1.181 1.00 0.00 N ATOM 489 CA VAL A 36 9.370 -7.956 -0.585 1.00 0.00 C ATOM 490 C VAL A 36 9.729 -9.434 -0.682 1.00 0.00 C ATOM 491 O VAL A 36 10.074 -9.931 -1.754 1.00 0.00 O ATOM 492 CB VAL A 36 8.006 -7.725 -1.262 1.00 0.00 C ATOM 493 CG1 VAL A 36 6.892 -8.373 -0.455 1.00 0.00 C ATOM 494 CG2 VAL A 36 7.747 -6.236 -1.443 1.00 0.00 C ATOM 0 H VAL A 36 10.274 -6.928 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 36 9.299 -7.670 0.464 1.00 0.00 H new ATOM 0 HB VAL A 36 8.026 -8.190 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.936 -8.199 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.072 -9.445 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.868 -7.940 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.779 -6.091 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.747 -5.746 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.530 -5.804 -2.067 1.00 0.00 H new ATOM 504 N TYR A 37 9.645 -10.133 0.445 1.00 0.00 N ATOM 505 CA TYR A 37 9.963 -11.555 0.488 1.00 0.00 C ATOM 506 C TYR A 37 8.760 -12.395 0.068 1.00 0.00 C ATOM 507 O TYR A 37 7.803 -12.552 0.826 1.00 0.00 O ATOM 508 CB TYR A 37 10.414 -11.956 1.893 1.00 0.00 C ATOM 509 CG TYR A 37 11.778 -11.421 2.267 1.00 0.00 C ATOM 510 CD1 TYR A 37 12.395 -10.440 1.501 1.00 0.00 C ATOM 511 CD2 TYR A 37 12.450 -11.898 3.386 1.00 0.00 C ATOM 512 CE1 TYR A 37 13.641 -9.949 1.838 1.00 0.00 C ATOM 513 CE2 TYR A 37 13.695 -11.411 3.732 1.00 0.00 C ATOM 514 CZ TYR A 37 14.287 -10.437 2.955 1.00 0.00 C ATOM 515 OH TYR A 37 15.529 -9.951 3.295 1.00 0.00 O ATOM 0 H TYR A 37 9.359 -9.738 1.341 1.00 0.00 H new ATOM 0 HA TYR A 37 10.776 -11.741 -0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.682 -11.598 2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.427 -13.044 1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.891 -10.055 0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.991 -12.662 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.107 -9.187 1.231 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.203 -11.791 4.606 1.00 0.00 H new ATOM 0 HH TYR A 37 15.844 -10.399 4.108 1.00 0.00 H new ATOM 525 N VAL A 38 8.818 -12.935 -1.145 1.00 0.00 N ATOM 526 CA VAL A 38 7.735 -13.760 -1.667 1.00 0.00 C ATOM 527 C VAL A 38 8.106 -14.365 -3.017 1.00 0.00 C ATOM 528 O VAL A 38 8.899 -13.796 -3.767 1.00 0.00 O ATOM 529 CB VAL A 38 6.435 -12.950 -1.820 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.576 -11.917 -2.927 1.00 0.00 C ATOM 531 CG2 VAL A 38 5.259 -13.876 -2.091 1.00 0.00 C ATOM 0 H VAL A 38 9.603 -12.816 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 38 7.572 -14.561 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 38 6.245 -12.422 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.647 -11.354 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.391 -11.234 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.791 -12.421 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.348 -13.286 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.439 -14.433 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.146 -14.573 -1.261 1.00 0.00 H new ATOM 541 N LYS A 39 7.527 -15.521 -3.320 1.00 0.00 N ATOM 542 CA LYS A 39 7.795 -16.204 -4.581 1.00 0.00 C ATOM 543 C LYS A 39 6.498 -16.681 -5.227 1.00 0.00 C ATOM 544 O LYS A 39 5.407 -16.369 -4.752 1.00 0.00 O ATOM 545 CB LYS A 39 8.730 -17.393 -4.352 1.00 0.00 C ATOM 546 CG LYS A 39 9.657 -17.218 -3.161 1.00 0.00 C ATOM 547 CD LYS A 39 10.385 -18.509 -2.827 1.00 0.00 C ATOM 548 CE LYS A 39 11.761 -18.236 -2.238 1.00 0.00 C ATOM 549 NZ LYS A 39 11.678 -17.766 -0.828 1.00 0.00 N ATOM 0 H LYS A 39 6.869 -16.005 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 39 8.277 -15.495 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.131 -18.292 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.330 -17.551 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.384 -16.435 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.081 -16.890 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.793 -19.089 -2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.487 -19.114 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.362 -19.144 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.272 -17.486 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.636 -17.591 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.126 -16.885 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.214 -18.493 -0.247 1.00 0.00 H new ATOM 563 N GLU A 40 6.626 -17.439 -6.311 1.00 0.00 N ATOM 564 CA GLU A 40 5.463 -17.958 -7.021 1.00 0.00 C ATOM 565 C GLU A 40 4.420 -16.865 -7.230 1.00 0.00 C ATOM 566 O GLU A 40 3.218 -17.111 -7.125 1.00 0.00 O ATOM 567 CB GLU A 40 4.847 -19.127 -6.249 1.00 0.00 C ATOM 568 CG GLU A 40 5.870 -20.126 -5.737 1.00 0.00 C ATOM 569 CD GLU A 40 6.375 -21.053 -6.826 1.00 0.00 C ATOM 570 OE1 GLU A 40 6.410 -20.626 -7.999 1.00 0.00 O ATOM 571 OE2 GLU A 40 6.734 -22.205 -6.505 1.00 0.00 O ATOM 0 H GLU A 40 7.523 -17.707 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 40 5.793 -18.311 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.281 -18.735 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.138 -19.645 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.713 -19.588 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.425 -20.719 -4.938 1.00 0.00 H new ATOM 578 N ILE A 41 4.888 -15.657 -7.525 1.00 0.00 N ATOM 579 CA ILE A 41 3.996 -14.526 -7.748 1.00 0.00 C ATOM 580 C ILE A 41 3.571 -14.442 -9.210 1.00 0.00 C ATOM 581 O ILE A 41 4.358 -14.728 -10.114 1.00 0.00 O ATOM 582 CB ILE A 41 4.659 -13.197 -7.341 1.00 0.00 C ATOM 583 CG1 ILE A 41 4.518 -12.973 -5.834 1.00 0.00 C ATOM 584 CG2 ILE A 41 4.045 -12.040 -8.114 1.00 0.00 C ATOM 585 CD1 ILE A 41 4.545 -11.514 -5.435 1.00 0.00 C ATOM 0 H ILE A 41 5.880 -15.436 -7.615 1.00 0.00 H new ATOM 0 HA ILE A 41 3.117 -14.690 -7.125 1.00 0.00 H new ATOM 0 HB ILE A 41 5.720 -13.248 -7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.582 -13.417 -5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.324 -13.497 -5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.524 -11.108 -7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.192 -12.197 -9.182 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.978 -11.985 -7.899 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.440 -11.431 -4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.492 -11.070 -5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.723 -10.989 -5.921 1.00 0.00 H new ATOM 597 N CYS A 42 2.324 -14.046 -9.436 1.00 0.00 N ATOM 598 CA CYS A 42 1.793 -13.922 -10.789 1.00 0.00 C ATOM 599 C CYS A 42 1.919 -12.488 -11.294 1.00 0.00 C ATOM 600 O CYS A 42 1.152 -11.611 -10.897 1.00 0.00 O ATOM 601 CB CYS A 42 0.330 -14.363 -10.828 1.00 0.00 C ATOM 602 SG CYS A 42 -0.189 -15.062 -12.413 1.00 0.00 S ATOM 0 H CYS A 42 1.661 -13.805 -8.699 1.00 0.00 H new ATOM 0 HA CYS A 42 2.377 -14.570 -11.442 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.164 -15.103 -10.045 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.303 -13.506 -10.596 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.441 -15.407 -12.346 1.00 0.00 H new ATOM 608 N ARG A 43 2.891 -12.258 -12.170 1.00 0.00 N ATOM 609 CA ARG A 43 3.119 -10.930 -12.726 1.00 0.00 C ATOM 610 C ARG A 43 1.987 -10.534 -13.669 1.00 0.00 C ATOM 611 O ARG A 43 1.977 -9.430 -14.215 1.00 0.00 O ATOM 612 CB ARG A 43 4.455 -10.888 -13.471 1.00 0.00 C ATOM 613 CG ARG A 43 5.645 -11.277 -12.609 1.00 0.00 C ATOM 614 CD ARG A 43 6.959 -10.865 -13.254 1.00 0.00 C ATOM 615 NE ARG A 43 8.056 -11.751 -12.876 1.00 0.00 N ATOM 616 CZ ARG A 43 8.250 -12.952 -13.410 1.00 0.00 C ATOM 617 NH1 ARG A 43 7.423 -13.407 -14.341 1.00 0.00 N ATOM 618 NH2 ARG A 43 9.271 -13.699 -13.013 1.00 0.00 N ATOM 0 H ARG A 43 3.533 -12.974 -12.510 1.00 0.00 H new ATOM 0 HA ARG A 43 3.148 -10.218 -11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.404 -11.558 -14.329 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.613 -9.882 -13.861 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.556 -10.806 -11.630 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.641 -12.355 -12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.847 -10.869 -14.338 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.201 -9.843 -12.962 1.00 0.00 H new ATOM 0 HE ARG A 43 8.710 -11.430 -12.162 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.637 -12.835 -14.648 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.573 -14.329 -14.750 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.909 -13.352 -12.297 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.419 -14.621 -13.424 1.00 0.00 H new ATOM 632 N ASP A 44 1.035 -11.442 -13.856 1.00 0.00 N ATOM 633 CA ASP A 44 -0.102 -11.187 -14.733 1.00 0.00 C ATOM 634 C ASP A 44 -1.271 -10.598 -13.949 1.00 0.00 C ATOM 635 O ASP A 44 -1.977 -9.714 -14.436 1.00 0.00 O ATOM 636 CB ASP A 44 -0.538 -12.479 -15.427 1.00 0.00 C ATOM 637 CG ASP A 44 0.494 -12.979 -16.418 1.00 0.00 C ATOM 638 OD1 ASP A 44 1.003 -12.159 -17.211 1.00 0.00 O ATOM 639 OD2 ASP A 44 0.793 -14.191 -16.401 1.00 0.00 O ATOM 0 H ASP A 44 1.028 -12.360 -13.412 1.00 0.00 H new ATOM 0 HA ASP A 44 0.208 -10.464 -15.488 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.719 -13.248 -14.676 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.482 -12.310 -15.944 1.00 0.00 H new ATOM 644 N THR A 45 -1.470 -11.092 -12.731 1.00 0.00 N ATOM 645 CA THR A 45 -2.554 -10.617 -11.881 1.00 0.00 C ATOM 646 C THR A 45 -2.015 -9.827 -10.694 1.00 0.00 C ATOM 647 O THR A 45 -2.725 -9.597 -9.715 1.00 0.00 O ATOM 648 CB THR A 45 -3.412 -11.784 -11.359 1.00 0.00 C ATOM 649 OG1 THR A 45 -2.656 -12.572 -10.432 1.00 0.00 O ATOM 650 CG2 THR A 45 -3.889 -12.661 -12.507 1.00 0.00 C ATOM 0 H THR A 45 -0.894 -11.822 -12.311 1.00 0.00 H new ATOM 0 HA THR A 45 -3.176 -9.966 -12.496 1.00 0.00 H new ATOM 0 HB THR A 45 -4.284 -11.367 -10.854 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.265 -13.005 -9.798 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.493 -13.479 -12.114 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.489 -12.065 -13.195 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.027 -13.068 -13.036 1.00 0.00 H new ATOM 658 N SER A 46 -0.755 -9.413 -10.787 1.00 0.00 N ATOM 659 CA SER A 46 -0.120 -8.651 -9.718 1.00 0.00 C ATOM 660 C SER A 46 0.348 -7.290 -10.226 1.00 0.00 C ATOM 661 O SER A 46 1.208 -7.204 -11.102 1.00 0.00 O ATOM 662 CB SER A 46 1.066 -9.428 -9.144 1.00 0.00 C ATOM 663 OG SER A 46 0.656 -10.692 -8.650 1.00 0.00 O ATOM 0 H SER A 46 -0.154 -9.592 -11.591 1.00 0.00 H new ATOM 0 HA SER A 46 -0.857 -8.493 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.824 -9.564 -9.916 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.528 -8.853 -8.342 1.00 0.00 H new ATOM 0 HG SER A 46 0.966 -11.397 -9.257 1.00 0.00 H new ATOM 669 N ARG A 47 -0.226 -6.229 -9.669 1.00 0.00 N ATOM 670 CA ARG A 47 0.130 -4.871 -10.065 1.00 0.00 C ATOM 671 C ARG A 47 0.458 -4.017 -8.843 1.00 0.00 C ATOM 672 O ARG A 47 0.348 -4.474 -7.706 1.00 0.00 O ATOM 673 CB ARG A 47 -1.013 -4.232 -10.855 1.00 0.00 C ATOM 674 CG ARG A 47 -2.367 -4.351 -10.175 1.00 0.00 C ATOM 675 CD ARG A 47 -3.271 -3.180 -10.524 1.00 0.00 C ATOM 676 NE ARG A 47 -4.685 -3.543 -10.464 1.00 0.00 N ATOM 677 CZ ARG A 47 -5.657 -2.799 -10.979 1.00 0.00 C ATOM 678 NH1 ARG A 47 -5.370 -1.657 -11.589 1.00 0.00 N ATOM 679 NH2 ARG A 47 -6.919 -3.197 -10.884 1.00 0.00 N ATOM 0 H ARG A 47 -0.940 -6.283 -8.942 1.00 0.00 H new ATOM 0 HA ARG A 47 1.016 -4.924 -10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.788 -3.177 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.068 -4.698 -11.839 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.845 -5.283 -10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.230 -4.397 -9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.079 -2.356 -9.837 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.031 -2.822 -11.525 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.939 -4.416 -10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.401 -1.348 -11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.119 -1.087 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.143 -4.075 -10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.665 -2.625 -11.280 1.00 0.00 H new ATOM 693 N VAL A 48 0.862 -2.775 -9.088 1.00 0.00 N ATOM 694 CA VAL A 48 1.206 -1.856 -8.009 1.00 0.00 C ATOM 695 C VAL A 48 0.663 -0.458 -8.284 1.00 0.00 C ATOM 696 O VAL A 48 0.955 0.141 -9.320 1.00 0.00 O ATOM 697 CB VAL A 48 2.730 -1.773 -7.807 1.00 0.00 C ATOM 698 CG1 VAL A 48 3.067 -0.821 -6.670 1.00 0.00 C ATOM 699 CG2 VAL A 48 3.309 -3.155 -7.547 1.00 0.00 C ATOM 0 H VAL A 48 0.959 -2.382 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 48 0.748 -2.248 -7.101 1.00 0.00 H new ATOM 0 HB VAL A 48 3.179 -1.383 -8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.149 -0.775 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.687 0.174 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.607 -1.178 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.387 -3.077 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.856 -3.577 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.100 -3.803 -8.398 1.00 0.00 H new ATOM 709 N LEU A 49 -0.127 0.058 -7.349 1.00 0.00 N ATOM 710 CA LEU A 49 -0.711 1.387 -7.490 1.00 0.00 C ATOM 711 C LEU A 49 0.074 2.415 -6.682 1.00 0.00 C ATOM 712 O LEU A 49 0.004 2.440 -5.453 1.00 0.00 O ATOM 713 CB LEU A 49 -2.172 1.374 -7.037 1.00 0.00 C ATOM 714 CG LEU A 49 -3.068 0.320 -7.687 1.00 0.00 C ATOM 715 CD1 LEU A 49 -4.318 0.091 -6.851 1.00 0.00 C ATOM 716 CD2 LEU A 49 -3.440 0.735 -9.103 1.00 0.00 C ATOM 0 H LEU A 49 -0.378 -0.424 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.665 1.667 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.195 1.225 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.601 2.357 -7.233 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.514 -0.617 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.943 -0.663 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.033 -0.253 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.875 1.024 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.078 -0.027 -9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.974 1.685 -9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.534 0.845 -9.700 1.00 0.00 H new ATOM 728 N PHE A 50 0.821 3.264 -7.381 1.00 0.00 N ATOM 729 CA PHE A 50 1.620 4.295 -6.729 1.00 0.00 C ATOM 730 C PHE A 50 0.808 5.573 -6.540 1.00 0.00 C ATOM 731 O PHE A 50 0.477 6.259 -7.508 1.00 0.00 O ATOM 732 CB PHE A 50 2.876 4.592 -7.550 1.00 0.00 C ATOM 733 CG PHE A 50 3.846 3.446 -7.597 1.00 0.00 C ATOM 734 CD1 PHE A 50 4.447 2.982 -6.439 1.00 0.00 C ATOM 735 CD2 PHE A 50 4.157 2.833 -8.801 1.00 0.00 C ATOM 736 CE1 PHE A 50 5.341 1.928 -6.480 1.00 0.00 C ATOM 737 CE2 PHE A 50 5.049 1.779 -8.848 1.00 0.00 C ATOM 738 CZ PHE A 50 5.641 1.325 -7.685 1.00 0.00 C ATOM 0 H PHE A 50 0.889 3.258 -8.399 1.00 0.00 H new ATOM 0 HA PHE A 50 1.916 3.924 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.583 4.851 -8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.377 5.465 -7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.215 3.449 -5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.697 3.184 -9.713 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.804 1.577 -5.570 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.283 1.311 -9.793 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.337 0.500 -7.719 1.00 0.00 H new ATOM 748 N ARG A 51 0.490 5.886 -5.288 1.00 0.00 N ATOM 749 CA ARG A 51 -0.284 7.080 -4.972 1.00 0.00 C ATOM 750 C ARG A 51 0.635 8.258 -4.663 1.00 0.00 C ATOM 751 O ARG A 51 1.857 8.142 -4.746 1.00 0.00 O ATOM 752 CB ARG A 51 -1.208 6.814 -3.782 1.00 0.00 C ATOM 753 CG ARG A 51 -2.577 6.287 -4.179 1.00 0.00 C ATOM 754 CD ARG A 51 -3.544 7.421 -4.483 1.00 0.00 C ATOM 755 NE ARG A 51 -3.761 8.280 -3.322 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.748 9.165 -3.237 1.00 0.00 C ATOM 757 NH1 ARG A 51 -5.604 9.306 -4.239 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.881 9.910 -2.147 1.00 0.00 N ATOM 0 H ARG A 51 0.757 5.329 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.888 7.332 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.731 6.095 -3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.334 7.738 -3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.481 5.645 -5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.978 5.671 -3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.155 8.018 -5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.497 7.007 -4.811 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.120 8.196 -2.533 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.506 8.734 -5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.361 9.986 -4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.225 9.803 -1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.639 10.589 -2.083 1.00 0.00 H new ATOM 772 N GLU A 52 0.037 9.391 -4.308 1.00 0.00 N ATOM 773 CA GLU A 52 0.803 10.590 -3.988 1.00 0.00 C ATOM 774 C GLU A 52 1.309 10.545 -2.549 1.00 0.00 C ATOM 775 O GLU A 52 2.449 10.917 -2.270 1.00 0.00 O ATOM 776 CB GLU A 52 -0.054 11.841 -4.200 1.00 0.00 C ATOM 777 CG GLU A 52 -1.131 12.026 -3.145 1.00 0.00 C ATOM 778 CD GLU A 52 -1.938 13.293 -3.352 1.00 0.00 C ATOM 779 OE1 GLU A 52 -2.174 13.663 -4.521 1.00 0.00 O ATOM 780 OE2 GLU A 52 -2.335 13.914 -2.343 1.00 0.00 O ATOM 0 H GLU A 52 -0.974 9.504 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 52 1.663 10.630 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.593 12.718 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.524 11.787 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.801 11.166 -3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.668 12.052 -2.159 1.00 0.00 H new ATOM 787 N GLN A 53 0.454 10.087 -1.641 1.00 0.00 N ATOM 788 CA GLN A 53 0.814 9.995 -0.231 1.00 0.00 C ATOM 789 C GLN A 53 0.802 8.544 0.240 1.00 0.00 C ATOM 790 O GLN A 53 0.711 8.270 1.436 1.00 0.00 O ATOM 791 CB GLN A 53 -0.148 10.827 0.619 1.00 0.00 C ATOM 792 CG GLN A 53 0.369 11.113 2.019 1.00 0.00 C ATOM 793 CD GLN A 53 -0.748 11.303 3.026 1.00 0.00 C ATOM 794 OE1 GLN A 53 -1.321 12.387 3.137 1.00 0.00 O ATOM 795 NE2 GLN A 53 -1.063 10.247 3.767 1.00 0.00 N ATOM 0 H GLN A 53 -0.493 9.774 -1.856 1.00 0.00 H new ATOM 0 HA GLN A 53 1.824 10.388 -0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.343 11.772 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.101 10.303 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.008 10.291 2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.990 12.009 1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.561 9.368 3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.807 10.315 4.462 1.00 0.00 H new ATOM 804 N ASP A 54 0.895 7.619 -0.709 1.00 0.00 N ATOM 805 CA ASP A 54 0.895 6.195 -0.392 1.00 0.00 C ATOM 806 C ASP A 54 1.177 5.361 -1.637 1.00 0.00 C ATOM 807 O ASP A 54 1.436 5.900 -2.713 1.00 0.00 O ATOM 808 CB ASP A 54 -0.446 5.787 0.219 1.00 0.00 C ATOM 809 CG ASP A 54 -1.618 6.498 -0.429 1.00 0.00 C ATOM 810 OD1 ASP A 54 -1.634 7.747 -0.415 1.00 0.00 O ATOM 811 OD2 ASP A 54 -2.519 5.807 -0.949 1.00 0.00 O ATOM 0 H ASP A 54 0.971 7.829 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 54 1.687 6.009 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.576 4.710 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.437 6.006 1.287 1.00 0.00 H new ATOM 816 N PHE A 55 1.127 4.042 -1.483 1.00 0.00 N ATOM 817 CA PHE A 55 1.379 3.132 -2.595 1.00 0.00 C ATOM 818 C PHE A 55 0.868 1.730 -2.277 1.00 0.00 C ATOM 819 O PHE A 55 1.354 1.073 -1.356 1.00 0.00 O ATOM 820 CB PHE A 55 2.875 3.082 -2.912 1.00 0.00 C ATOM 821 CG PHE A 55 3.645 2.150 -2.022 1.00 0.00 C ATOM 822 CD1 PHE A 55 3.767 0.807 -2.342 1.00 0.00 C ATOM 823 CD2 PHE A 55 4.247 2.615 -0.864 1.00 0.00 C ATOM 824 CE1 PHE A 55 4.476 -0.054 -1.525 1.00 0.00 C ATOM 825 CE2 PHE A 55 4.957 1.759 -0.043 1.00 0.00 C ATOM 826 CZ PHE A 55 5.071 0.423 -0.374 1.00 0.00 C ATOM 0 H PHE A 55 0.914 3.579 -0.599 1.00 0.00 H new ATOM 0 HA PHE A 55 0.842 3.506 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.008 2.774 -3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.291 4.085 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.303 0.428 -3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.161 3.659 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.564 -1.098 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.422 2.135 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.625 -0.248 0.266 1.00 0.00 H new ATOM 836 N THR A 56 -0.118 1.277 -3.046 1.00 0.00 N ATOM 837 CA THR A 56 -0.697 -0.045 -2.846 1.00 0.00 C ATOM 838 C THR A 56 -0.032 -1.079 -3.748 1.00 0.00 C ATOM 839 O THR A 56 0.327 -0.783 -4.889 1.00 0.00 O ATOM 840 CB THR A 56 -2.213 -0.042 -3.120 1.00 0.00 C ATOM 841 OG1 THR A 56 -2.767 1.237 -2.792 1.00 0.00 O ATOM 842 CG2 THR A 56 -2.911 -1.125 -2.311 1.00 0.00 C ATOM 0 H THR A 56 -0.532 1.807 -3.813 1.00 0.00 H new ATOM 0 HA THR A 56 -0.524 -0.311 -1.803 1.00 0.00 H new ATOM 0 HB THR A 56 -2.369 -0.245 -4.180 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.731 1.232 -2.970 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.980 -1.104 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.507 -2.100 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.746 -0.948 -1.248 1.00 0.00 H new ATOM 850 N LEU A 57 0.129 -2.292 -3.232 1.00 0.00 N ATOM 851 CA LEU A 57 0.751 -3.371 -3.992 1.00 0.00 C ATOM 852 C LEU A 57 -0.147 -4.603 -4.022 1.00 0.00 C ATOM 853 O LEU A 57 -0.273 -5.316 -3.026 1.00 0.00 O ATOM 854 CB LEU A 57 2.109 -3.730 -3.387 1.00 0.00 C ATOM 855 CG LEU A 57 2.614 -5.147 -3.664 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.010 -5.296 -5.124 1.00 0.00 C ATOM 857 CD2 LEU A 57 3.786 -5.483 -2.754 1.00 0.00 C ATOM 0 H LEU A 57 -0.163 -2.554 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 57 0.896 -3.025 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.849 -3.023 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.052 -3.591 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 57 1.806 -5.848 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.367 -6.310 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.145 -5.099 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.802 -4.586 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.132 -6.495 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.598 -4.777 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.469 -5.418 -1.713 1.00 0.00 H new ATOM 869 N ILE A 58 -0.767 -4.849 -5.171 1.00 0.00 N ATOM 870 CA ILE A 58 -1.650 -5.998 -5.332 1.00 0.00 C ATOM 871 C ILE A 58 -0.966 -7.111 -6.118 1.00 0.00 C ATOM 872 O ILE A 58 -0.649 -6.950 -7.296 1.00 0.00 O ATOM 873 CB ILE A 58 -2.956 -5.607 -6.047 1.00 0.00 C ATOM 874 CG1 ILE A 58 -3.726 -4.574 -5.222 1.00 0.00 C ATOM 875 CG2 ILE A 58 -3.813 -6.840 -6.296 1.00 0.00 C ATOM 876 CD1 ILE A 58 -3.027 -3.236 -5.124 1.00 0.00 C ATOM 0 H ILE A 58 -0.674 -4.268 -6.004 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.887 -6.357 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.706 -5.161 -7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.711 -4.428 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.883 -4.967 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.733 -6.548 -6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.264 -7.545 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.057 -7.312 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.630 -2.554 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.053 -3.368 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.894 -2.821 -6.123 1.00 0.00 H new ATOM 888 N PHE A 59 -0.744 -8.243 -5.458 1.00 0.00 N ATOM 889 CA PHE A 59 -0.098 -9.385 -6.095 1.00 0.00 C ATOM 890 C PHE A 59 -0.571 -10.695 -5.471 1.00 0.00 C ATOM 891 O PHE A 59 -0.774 -10.779 -4.260 1.00 0.00 O ATOM 892 CB PHE A 59 1.423 -9.271 -5.976 1.00 0.00 C ATOM 893 CG PHE A 59 1.942 -9.585 -4.601 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.887 -10.877 -4.104 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.485 -8.588 -3.807 1.00 0.00 C ATOM 896 CE1 PHE A 59 2.363 -11.168 -2.840 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.963 -8.874 -2.542 1.00 0.00 C ATOM 898 CZ PHE A 59 2.903 -10.166 -2.059 1.00 0.00 C ATOM 0 H PHE A 59 -1.002 -8.394 -4.483 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.374 -9.384 -7.150 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.887 -9.947 -6.694 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.726 -8.260 -6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.467 -11.665 -4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.535 -7.576 -4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.313 -12.179 -2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.383 -8.088 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.278 -10.392 -1.072 1.00 0.00 H new ATOM 908 N GLN A 60 -0.745 -11.713 -6.307 1.00 0.00 N ATOM 909 CA GLN A 60 -1.196 -13.018 -5.838 1.00 0.00 C ATOM 910 C GLN A 60 -0.043 -14.016 -5.815 1.00 0.00 C ATOM 911 O GLN A 60 0.424 -14.467 -6.862 1.00 0.00 O ATOM 912 CB GLN A 60 -2.322 -13.543 -6.729 1.00 0.00 C ATOM 913 CG GLN A 60 -3.683 -12.950 -6.402 1.00 0.00 C ATOM 914 CD GLN A 60 -4.627 -12.966 -7.589 1.00 0.00 C ATOM 915 OE1 GLN A 60 -4.482 -13.780 -8.501 1.00 0.00 O ATOM 916 NE2 GLN A 60 -5.602 -12.065 -7.582 1.00 0.00 N ATOM 0 H GLN A 60 -0.581 -11.660 -7.312 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.572 -12.900 -4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.081 -13.327 -7.770 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.375 -14.627 -6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.130 -13.508 -5.579 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.555 -11.924 -6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.685 -11.409 -6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.268 -12.029 -8.353 1.00 0.00 H new ATOM 925 N THR A 61 0.414 -14.358 -4.614 1.00 0.00 N ATOM 926 CA THR A 61 1.514 -15.301 -4.454 1.00 0.00 C ATOM 927 C THR A 61 0.996 -16.722 -4.265 1.00 0.00 C ATOM 928 O THR A 61 -0.095 -16.930 -3.735 1.00 0.00 O ATOM 929 CB THR A 61 2.405 -14.928 -3.255 1.00 0.00 C ATOM 930 OG1 THR A 61 3.483 -15.862 -3.136 1.00 0.00 O ATOM 931 CG2 THR A 61 1.597 -14.911 -1.965 1.00 0.00 C ATOM 0 H THR A 61 0.039 -13.996 -3.737 1.00 0.00 H new ATOM 0 HA THR A 61 2.108 -15.251 -5.367 1.00 0.00 H new ATOM 0 HB THR A 61 2.808 -13.930 -3.427 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.916 -15.975 -4.008 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.247 -14.645 -1.132 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.795 -14.178 -2.048 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.169 -15.898 -1.791 1.00 0.00 H new ATOM 939 N ARG A 62 1.785 -17.698 -4.702 1.00 0.00 N ATOM 940 CA ARG A 62 1.406 -19.100 -4.582 1.00 0.00 C ATOM 941 C ARG A 62 2.441 -19.876 -3.772 1.00 0.00 C ATOM 942 O ARG A 62 2.437 -21.107 -3.758 1.00 0.00 O ATOM 943 CB ARG A 62 1.250 -19.730 -5.967 1.00 0.00 C ATOM 944 CG ARG A 62 0.302 -18.968 -6.879 1.00 0.00 C ATOM 945 CD ARG A 62 0.277 -19.562 -8.278 1.00 0.00 C ATOM 946 NE ARG A 62 -0.139 -20.962 -8.272 1.00 0.00 N ATOM 947 CZ ARG A 62 -0.431 -21.646 -9.372 1.00 0.00 C ATOM 948 NH1 ARG A 62 -0.352 -21.063 -10.561 1.00 0.00 N ATOM 949 NH2 ARG A 62 -0.803 -22.917 -9.285 1.00 0.00 N ATOM 0 H ARG A 62 2.692 -17.543 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 62 0.451 -19.148 -4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.229 -19.789 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.889 -20.752 -5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.703 -18.985 -6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.607 -17.923 -6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.403 -18.985 -8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.268 -19.480 -8.724 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.209 -21.440 -7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.066 -20.086 -10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.577 -21.591 -11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.865 -23.369 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.027 -23.442 -10.130 1.00 0.00 H new ATOM 963 N ASP A 63 3.326 -19.148 -3.101 1.00 0.00 N ATOM 964 CA ASP A 63 4.367 -19.767 -2.289 1.00 0.00 C ATOM 965 C ASP A 63 3.824 -20.165 -0.920 1.00 0.00 C ATOM 966 O ASP A 63 3.559 -19.312 -0.074 1.00 0.00 O ATOM 967 CB ASP A 63 5.550 -18.812 -2.124 1.00 0.00 C ATOM 968 CG ASP A 63 6.633 -19.382 -1.229 1.00 0.00 C ATOM 969 OD1 ASP A 63 6.529 -20.568 -0.853 1.00 0.00 O ATOM 970 OD2 ASP A 63 7.585 -18.641 -0.903 1.00 0.00 O ATOM 0 H ASP A 63 3.344 -18.128 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 63 4.706 -20.668 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.972 -18.589 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.197 -17.869 -1.707 1.00 0.00 H new ATOM 975 N GLY A 64 3.659 -21.468 -0.710 1.00 0.00 N ATOM 976 CA GLY A 64 3.147 -21.956 0.557 1.00 0.00 C ATOM 977 C GLY A 64 3.794 -21.273 1.746 1.00 0.00 C ATOM 978 O GLY A 64 3.182 -21.146 2.805 1.00 0.00 O ATOM 0 H GLY A 64 3.871 -22.194 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.069 -21.799 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.315 -23.031 0.624 1.00 0.00 H new ATOM 982 N ASN A 65 5.036 -20.834 1.570 1.00 0.00 N ATOM 983 CA ASN A 65 5.768 -20.162 2.638 1.00 0.00 C ATOM 984 C ASN A 65 5.125 -18.821 2.978 1.00 0.00 C ATOM 985 O ASN A 65 5.024 -18.447 4.147 1.00 0.00 O ATOM 986 CB ASN A 65 7.227 -19.952 2.231 1.00 0.00 C ATOM 987 CG ASN A 65 7.912 -21.249 1.846 1.00 0.00 C ATOM 988 OD1 ASN A 65 8.420 -21.308 0.620 1.00 0.00 O flip ATOM 989 ND2 ASN A 65 7.985 -22.186 2.641 1.00 0.00 N flip ATOM 0 H ASN A 65 5.557 -20.931 0.698 1.00 0.00 H new ATOM 0 HA ASN A 65 5.733 -20.797 3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.271 -19.258 1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.769 -19.489 3.056 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.580 -22.097 3.573 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.450 -23.052 2.368 1.00 0.00 H new ATOM 996 N PHE A 66 4.690 -18.102 1.949 1.00 0.00 N ATOM 997 CA PHE A 66 4.057 -16.802 2.137 1.00 0.00 C ATOM 998 C PHE A 66 2.573 -16.961 2.457 1.00 0.00 C ATOM 999 O PHE A 66 1.974 -16.110 3.116 1.00 0.00 O ATOM 1000 CB PHE A 66 4.231 -15.940 0.885 1.00 0.00 C ATOM 1001 CG PHE A 66 3.776 -14.520 1.067 1.00 0.00 C ATOM 1002 CD1 PHE A 66 2.430 -14.223 1.212 1.00 0.00 C ATOM 1003 CD2 PHE A 66 4.693 -13.482 1.094 1.00 0.00 C ATOM 1004 CE1 PHE A 66 2.008 -12.918 1.379 1.00 0.00 C ATOM 1005 CE2 PHE A 66 4.278 -12.174 1.261 1.00 0.00 C ATOM 1006 CZ PHE A 66 2.933 -11.892 1.405 1.00 0.00 C ATOM 0 H PHE A 66 4.764 -18.398 0.976 1.00 0.00 H new ATOM 0 HA PHE A 66 4.542 -16.308 2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.282 -15.942 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.673 -16.390 0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.702 -15.021 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.745 -13.697 0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.956 -12.700 1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.004 -11.374 1.279 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.605 -10.871 1.538 1.00 0.00 H new ATOM 1016 N LEU A 67 1.987 -18.056 1.985 1.00 0.00 N ATOM 1017 CA LEU A 67 0.573 -18.327 2.219 1.00 0.00 C ATOM 1018 C LEU A 67 0.343 -18.832 3.641 1.00 0.00 C ATOM 1019 O LEU A 67 -0.509 -18.315 4.363 1.00 0.00 O ATOM 1020 CB LEU A 67 0.057 -19.356 1.212 1.00 0.00 C ATOM 1021 CG LEU A 67 -0.224 -18.833 -0.197 1.00 0.00 C ATOM 1022 CD1 LEU A 67 -0.835 -19.926 -1.060 1.00 0.00 C ATOM 1023 CD2 LEU A 67 -1.141 -17.620 -0.142 1.00 0.00 C ATOM 0 H LEU A 67 2.469 -18.770 1.438 1.00 0.00 H new ATOM 0 HA LEU A 67 0.024 -17.394 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.787 -20.162 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.861 -19.792 1.606 1.00 0.00 H new ATOM 0 HG LEU A 67 0.721 -18.529 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.028 -19.535 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.144 -20.766 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.772 -20.261 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.330 -17.261 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.085 -17.898 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.666 -16.831 0.440 1.00 0.00 H new ATOM 1035 N ARG A 68 1.111 -19.842 4.036 1.00 0.00 N ATOM 1036 CA ARG A 68 0.992 -20.415 5.371 1.00 0.00 C ATOM 1037 C ARG A 68 0.894 -19.318 6.427 1.00 0.00 C ATOM 1038 O ARG A 68 0.241 -19.490 7.457 1.00 0.00 O ATOM 1039 CB ARG A 68 2.190 -21.319 5.670 1.00 0.00 C ATOM 1040 CG ARG A 68 3.438 -20.559 6.084 1.00 0.00 C ATOM 1041 CD ARG A 68 4.514 -21.497 6.608 1.00 0.00 C ATOM 1042 NE ARG A 68 4.277 -21.880 7.997 1.00 0.00 N ATOM 1043 CZ ARG A 68 4.971 -22.820 8.629 1.00 0.00 C ATOM 1044 NH1 ARG A 68 5.940 -23.469 8.000 1.00 0.00 N ATOM 1045 NH2 ARG A 68 4.695 -23.112 9.894 1.00 0.00 N ATOM 0 H ARG A 68 1.822 -20.280 3.451 1.00 0.00 H new ATOM 0 HA ARG A 68 0.079 -21.010 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.919 -22.016 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.415 -21.915 4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.825 -20.000 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.183 -19.830 6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.549 -22.392 5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.488 -21.014 6.526 1.00 0.00 H new ATOM 0 HE ARG A 68 3.538 -21.399 8.510 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.155 -23.247 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.471 -24.190 8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.950 -22.615 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.228 -23.834 10.379 1.00 0.00 H new ATOM 1059 N LEU A 69 1.546 -18.191 6.164 1.00 0.00 N ATOM 1060 CA LEU A 69 1.532 -17.065 7.091 1.00 0.00 C ATOM 1061 C LEU A 69 0.130 -16.477 7.214 1.00 0.00 C ATOM 1062 O LEU A 69 -0.319 -16.138 8.309 1.00 0.00 O ATOM 1063 CB LEU A 69 2.512 -15.985 6.628 1.00 0.00 C ATOM 1064 CG LEU A 69 3.845 -16.484 6.069 1.00 0.00 C ATOM 1065 CD1 LEU A 69 4.753 -15.312 5.728 1.00 0.00 C ATOM 1066 CD2 LEU A 69 4.525 -17.416 7.063 1.00 0.00 C ATOM 0 H LEU A 69 2.091 -18.033 5.316 1.00 0.00 H new ATOM 0 HA LEU A 69 1.840 -17.430 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.023 -15.382 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.718 -15.325 7.470 1.00 0.00 H new ATOM 0 HG LEU A 69 3.647 -17.042 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.697 -15.686 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.270 -14.683 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.944 -14.726 6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.472 -17.761 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.710 -16.882 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.880 -18.273 7.258 1.00 0.00 H new ATOM 1078 N HIS A 70 -0.558 -16.360 6.082 1.00 0.00 N ATOM 1079 CA HIS A 70 -1.911 -15.816 6.063 1.00 0.00 C ATOM 1080 C HIS A 70 -2.940 -16.925 5.872 1.00 0.00 C ATOM 1081 O HIS A 70 -3.246 -17.335 4.751 1.00 0.00 O ATOM 1082 CB HIS A 70 -2.050 -14.777 4.950 1.00 0.00 C ATOM 1083 CG HIS A 70 -1.095 -13.630 5.078 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -1.469 -12.388 5.545 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.227 -13.543 4.799 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.420 -11.586 5.546 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.622 -12.262 5.098 1.00 0.00 N ATOM 0 H HIS A 70 -0.201 -16.635 5.167 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.096 -15.335 7.023 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.893 -15.264 3.988 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.070 -14.392 4.949 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.854 -14.333 4.413 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.415 -10.553 5.860 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.567 -11.893 4.991 1.00 0.00 H new ATOM 1096 N PRO A 71 -3.488 -17.425 6.989 1.00 0.00 N ATOM 1097 CA PRO A 71 -4.491 -18.494 6.970 1.00 0.00 C ATOM 1098 C PRO A 71 -5.828 -18.024 6.408 1.00 0.00 C ATOM 1099 O PRO A 71 -6.163 -16.843 6.483 1.00 0.00 O ATOM 1100 CB PRO A 71 -4.634 -18.873 8.446 1.00 0.00 C ATOM 1101 CG PRO A 71 -4.231 -17.647 9.192 1.00 0.00 C ATOM 1102 CD PRO A 71 -3.170 -16.985 8.358 1.00 0.00 C ATOM 0 HA PRO A 71 -4.190 -19.324 6.330 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.658 -19.162 8.683 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.996 -19.719 8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.082 -16.983 9.340 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.849 -17.900 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.206 -15.899 8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.170 -17.297 8.658 1.00 0.00 H new ATOM 1110 N GLY A 72 -6.589 -18.958 5.845 1.00 0.00 N ATOM 1111 CA GLY A 72 -7.882 -18.619 5.279 1.00 0.00 C ATOM 1112 C GLY A 72 -7.780 -18.150 3.841 1.00 0.00 C ATOM 1113 O GLY A 72 -8.792 -18.013 3.153 1.00 0.00 O ATOM 0 H GLY A 72 -6.333 -19.943 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.536 -19.489 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.345 -17.837 5.881 1.00 0.00 H new ATOM 1117 N CYS A 73 -6.557 -17.902 3.387 1.00 0.00 N ATOM 1118 CA CYS A 73 -6.327 -17.443 2.021 1.00 0.00 C ATOM 1119 C CYS A 73 -5.570 -18.493 1.215 1.00 0.00 C ATOM 1120 O CYS A 73 -5.141 -19.513 1.752 1.00 0.00 O ATOM 1121 CB CYS A 73 -5.547 -16.128 2.028 1.00 0.00 C ATOM 1122 SG CYS A 73 -6.424 -14.753 2.808 1.00 0.00 S ATOM 0 H CYS A 73 -5.709 -18.011 3.944 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.297 -17.280 1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.601 -16.282 2.547 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.307 -15.855 1.000 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.589 -14.051 3.515 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.412 -18.237 -0.080 1.00 0.00 N ATOM 1129 CA GLY A 74 -4.709 -19.170 -0.941 1.00 0.00 C ATOM 1130 C GLY A 74 -3.975 -18.477 -2.072 1.00 0.00 C ATOM 1131 O GLY A 74 -3.749 -17.267 -2.044 1.00 0.00 O ATOM 0 H GLY A 74 -5.758 -17.400 -0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.997 -19.742 -0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.421 -19.883 -1.357 1.00 0.00 H new ATOM 1135 N PRO A 75 -3.590 -19.252 -3.096 1.00 0.00 N ATOM 1136 CA PRO A 75 -2.871 -18.727 -4.260 1.00 0.00 C ATOM 1137 C PRO A 75 -3.753 -17.842 -5.135 1.00 0.00 C ATOM 1138 O PRO A 75 -3.267 -16.920 -5.791 1.00 0.00 O ATOM 1139 CB PRO A 75 -2.457 -19.989 -5.021 1.00 0.00 C ATOM 1140 CG PRO A 75 -3.456 -21.018 -4.619 1.00 0.00 C ATOM 1141 CD PRO A 75 -3.826 -20.702 -3.196 1.00 0.00 C ATOM 0 HA PRO A 75 -2.032 -18.094 -3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.470 -19.824 -6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.445 -20.296 -4.758 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.332 -20.985 -5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.037 -22.021 -4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.865 -20.955 -2.985 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.212 -21.259 -2.488 1.00 0.00 H new ATOM 1149 N HIS A 76 -5.051 -18.128 -5.140 1.00 0.00 N ATOM 1150 CA HIS A 76 -6.001 -17.357 -5.934 1.00 0.00 C ATOM 1151 C HIS A 76 -6.576 -16.202 -5.121 1.00 0.00 C ATOM 1152 O HIS A 76 -7.428 -15.453 -5.602 1.00 0.00 O ATOM 1153 CB HIS A 76 -7.131 -18.258 -6.432 1.00 0.00 C ATOM 1154 CG HIS A 76 -7.472 -19.370 -5.487 1.00 0.00 C ATOM 1155 ND1 HIS A 76 -7.578 -19.193 -4.124 1.00 0.00 N ATOM 1156 CD2 HIS A 76 -7.732 -20.678 -5.717 1.00 0.00 C ATOM 1157 CE1 HIS A 76 -7.887 -20.345 -3.556 1.00 0.00 C ATOM 1158 NE2 HIS A 76 -7.987 -21.262 -4.501 1.00 0.00 N ATOM 0 H HIS A 76 -5.469 -18.888 -4.603 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.470 -16.945 -6.792 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.020 -17.651 -6.602 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.847 -18.684 -7.394 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.738 -21.171 -6.678 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.033 -20.509 -2.499 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -8.216 -22.245 -4.352 1.00 0.00 H new ATOM 1167 N THR A 77 -6.107 -16.062 -3.885 1.00 0.00 N ATOM 1168 CA THR A 77 -6.576 -15.000 -3.004 1.00 0.00 C ATOM 1169 C THR A 77 -5.789 -13.713 -3.228 1.00 0.00 C ATOM 1170 O THR A 77 -4.572 -13.676 -3.042 1.00 0.00 O ATOM 1171 CB THR A 77 -6.462 -15.407 -1.523 1.00 0.00 C ATOM 1172 OG1 THR A 77 -7.202 -16.609 -1.287 1.00 0.00 O ATOM 1173 CG2 THR A 77 -6.980 -14.300 -0.617 1.00 0.00 C ATOM 0 H THR A 77 -5.402 -16.672 -3.471 1.00 0.00 H new ATOM 0 HA THR A 77 -7.625 -14.829 -3.246 1.00 0.00 H new ATOM 0 HB THR A 77 -5.410 -15.579 -1.296 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.787 -16.486 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.890 -14.610 0.424 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.395 -13.394 -0.778 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.027 -14.102 -0.847 1.00 0.00 H new ATOM 1181 N THR A 78 -6.492 -12.658 -3.628 1.00 0.00 N ATOM 1182 CA THR A 78 -5.859 -11.369 -3.877 1.00 0.00 C ATOM 1183 C THR A 78 -5.325 -10.759 -2.586 1.00 0.00 C ATOM 1184 O THR A 78 -5.976 -10.821 -1.543 1.00 0.00 O ATOM 1185 CB THR A 78 -6.841 -10.378 -4.531 1.00 0.00 C ATOM 1186 OG1 THR A 78 -7.594 -11.039 -5.555 1.00 0.00 O ATOM 1187 CG2 THR A 78 -6.097 -9.193 -5.128 1.00 0.00 C ATOM 0 H THR A 78 -7.500 -12.671 -3.786 1.00 0.00 H new ATOM 0 HA THR A 78 -5.029 -11.552 -4.560 1.00 0.00 H new ATOM 0 HB THR A 78 -7.519 -10.011 -3.761 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.217 -10.403 -5.965 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.811 -8.507 -5.584 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.547 -8.675 -4.342 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.399 -9.547 -5.886 1.00 0.00 H new ATOM 1195 N PHE A 79 -4.137 -10.169 -2.663 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.515 -9.548 -1.499 1.00 0.00 C ATOM 1197 C PHE A 79 -3.220 -8.074 -1.762 1.00 0.00 C ATOM 1198 O PHE A 79 -2.430 -7.736 -2.644 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.223 -10.281 -1.133 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.443 -11.702 -0.698 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.414 -12.011 0.240 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -1.678 -12.729 -1.228 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.618 -13.318 0.642 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -1.877 -14.038 -0.831 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.849 -14.332 0.105 1.00 0.00 C ATOM 0 H PHE A 79 -3.586 -10.108 -3.519 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.213 -9.618 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.553 -10.272 -1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.721 -9.738 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.019 -11.222 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.917 -12.504 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.378 -13.546 1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.274 -14.829 -1.252 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.008 -15.354 0.417 1.00 0.00 H new ATOM 1215 N ARG A 80 -3.860 -7.202 -0.990 1.00 0.00 N ATOM 1216 CA ARG A 80 -3.668 -5.765 -1.140 1.00 0.00 C ATOM 1217 C ARG A 80 -2.846 -5.202 0.016 1.00 0.00 C ATOM 1218 O ARG A 80 -3.271 -5.244 1.170 1.00 0.00 O ATOM 1219 CB ARG A 80 -5.020 -5.053 -1.212 1.00 0.00 C ATOM 1220 CG ARG A 80 -4.958 -3.695 -1.892 1.00 0.00 C ATOM 1221 CD ARG A 80 -6.154 -2.831 -1.521 1.00 0.00 C ATOM 1222 NE ARG A 80 -6.103 -1.521 -2.164 1.00 0.00 N ATOM 1223 CZ ARG A 80 -6.914 -0.516 -1.850 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -7.833 -0.672 -0.908 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -6.806 0.647 -2.480 1.00 0.00 N ATOM 0 H ARG A 80 -4.516 -7.466 -0.255 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.124 -5.592 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.727 -5.686 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.409 -4.926 -0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.037 -3.186 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.926 -3.829 -2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.073 -3.341 -1.810 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.187 -2.703 -0.439 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.407 -1.369 -2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.919 -1.565 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.454 0.101 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.100 0.770 -3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.429 1.418 -2.238 1.00 0.00 H new ATOM 1239 N TRP A 81 -1.668 -4.678 -0.303 1.00 0.00 N ATOM 1240 CA TRP A 81 -0.786 -4.108 0.709 1.00 0.00 C ATOM 1241 C TRP A 81 -0.744 -2.588 0.600 1.00 0.00 C ATOM 1242 O TRP A 81 -0.057 -2.037 -0.259 1.00 0.00 O ATOM 1243 CB TRP A 81 0.625 -4.681 0.566 1.00 0.00 C ATOM 1244 CG TRP A 81 1.496 -4.417 1.757 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.101 -4.355 3.063 1.00 0.00 C ATOM 1246 CD2 TRP A 81 2.908 -4.180 1.750 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.183 -4.092 3.869 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.303 -3.981 3.088 1.00 0.00 C ATOM 1249 CE3 TRP A 81 3.877 -4.117 0.745 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 4.625 -3.724 3.442 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.188 -3.861 1.099 1.00 0.00 C ATOM 1252 CH2 TRP A 81 5.552 -3.668 2.438 1.00 0.00 C ATOM 0 H TRP A 81 -1.302 -4.636 -1.254 1.00 0.00 H new ATOM 0 HA TRP A 81 -1.180 -4.373 1.690 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.558 -5.757 0.405 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.095 -4.255 -0.320 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.088 -4.492 3.411 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.156 -3.995 4.884 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.606 -4.266 -0.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.908 -3.574 4.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 5.945 -3.809 0.330 1.00 0.00 H new ATOM 0 HH2 TRP A 81 6.585 -3.471 2.682 1.00 0.00 H new ATOM 1263 N GLN A 82 -1.484 -1.916 1.477 1.00 0.00 N ATOM 1264 CA GLN A 82 -1.530 -0.458 1.478 1.00 0.00 C ATOM 1265 C GLN A 82 -0.577 0.116 2.521 1.00 0.00 C ATOM 1266 O GLN A 82 -0.663 -0.213 3.704 1.00 0.00 O ATOM 1267 CB GLN A 82 -2.955 0.028 1.750 1.00 0.00 C ATOM 1268 CG GLN A 82 -3.178 1.488 1.392 1.00 0.00 C ATOM 1269 CD GLN A 82 -4.608 1.934 1.625 1.00 0.00 C ATOM 1270 OE1 GLN A 82 -5.095 1.931 2.756 1.00 0.00 O ATOM 1271 NE2 GLN A 82 -5.291 2.320 0.553 1.00 0.00 N ATOM 0 H GLN A 82 -2.059 -2.357 2.195 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.216 -0.109 0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.654 -0.587 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.185 -0.118 2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.506 2.110 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.918 1.645 0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.848 2.307 -0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.258 2.630 0.649 1.00 0.00 H new ATOM 1280 N VAL A 83 0.333 0.976 2.074 1.00 0.00 N ATOM 1281 CA VAL A 83 1.303 1.597 2.968 1.00 0.00 C ATOM 1282 C VAL A 83 1.087 3.104 3.052 1.00 0.00 C ATOM 1283 O VAL A 83 1.002 3.788 2.032 1.00 0.00 O ATOM 1284 CB VAL A 83 2.747 1.321 2.509 1.00 0.00 C ATOM 1285 CG1 VAL A 83 3.741 2.017 3.426 1.00 0.00 C ATOM 1286 CG2 VAL A 83 3.013 -0.176 2.460 1.00 0.00 C ATOM 0 H VAL A 83 0.419 1.258 1.098 1.00 0.00 H new ATOM 0 HA VAL A 83 1.153 1.156 3.953 1.00 0.00 H new ATOM 0 HB VAL A 83 2.873 1.723 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.756 1.811 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.563 3.092 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.617 1.648 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.038 -0.353 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.869 -0.604 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.323 -0.645 1.759 1.00 0.00 H new ATOM 1296 N LYS A 84 1.000 3.616 4.275 1.00 0.00 N ATOM 1297 CA LYS A 84 0.795 5.043 4.494 1.00 0.00 C ATOM 1298 C LYS A 84 2.130 5.766 4.647 1.00 0.00 C ATOM 1299 O LYS A 84 2.849 5.563 5.626 1.00 0.00 O ATOM 1300 CB LYS A 84 -0.066 5.271 5.738 1.00 0.00 C ATOM 1301 CG LYS A 84 -0.638 6.674 5.833 1.00 0.00 C ATOM 1302 CD LYS A 84 -1.728 6.762 6.889 1.00 0.00 C ATOM 1303 CE LYS A 84 -2.163 8.200 7.122 1.00 0.00 C ATOM 1304 NZ LYS A 84 -3.399 8.278 7.950 1.00 0.00 N ATOM 0 H LYS A 84 1.068 3.064 5.130 1.00 0.00 H new ATOM 0 HA LYS A 84 0.279 5.449 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.886 4.553 5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.534 5.071 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.159 7.377 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.043 6.969 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.587 6.167 6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.366 6.334 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.360 8.747 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.337 8.687 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.663 9.275 8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.172 7.778 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.225 7.836 8.875 1.00 0.00 H new ATOM 1318 N LEU A 85 2.454 6.611 3.675 1.00 0.00 N ATOM 1319 CA LEU A 85 3.702 7.367 3.702 1.00 0.00 C ATOM 1320 C LEU A 85 3.515 8.700 4.418 1.00 0.00 C ATOM 1321 O LEU A 85 2.573 9.441 4.137 1.00 0.00 O ATOM 1322 CB LEU A 85 4.207 7.606 2.278 1.00 0.00 C ATOM 1323 CG LEU A 85 4.109 6.417 1.322 1.00 0.00 C ATOM 1324 CD1 LEU A 85 3.958 6.897 -0.113 1.00 0.00 C ATOM 1325 CD2 LEU A 85 5.330 5.519 1.461 1.00 0.00 C ATOM 0 H LEU A 85 1.870 6.790 2.858 1.00 0.00 H new ATOM 0 HA LEU A 85 4.441 6.782 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.647 8.437 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.250 7.918 2.332 1.00 0.00 H new ATOM 0 HG LEU A 85 3.224 5.836 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.890 6.037 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.053 7.498 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.823 7.501 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.243 4.678 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.229 6.089 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.393 5.147 2.483 1.00 0.00 H new ATOM 1337 N ARG A 86 4.421 9.000 5.344 1.00 0.00 N ATOM 1338 CA ARG A 86 4.357 10.245 6.100 1.00 0.00 C ATOM 1339 C ARG A 86 4.257 11.446 5.164 1.00 0.00 C ATOM 1340 O ARG A 86 3.243 12.142 5.137 1.00 0.00 O ATOM 1341 CB ARG A 86 5.588 10.386 6.997 1.00 0.00 C ATOM 1342 CG ARG A 86 5.628 9.382 8.138 1.00 0.00 C ATOM 1343 CD ARG A 86 4.768 9.834 9.308 1.00 0.00 C ATOM 1344 NE ARG A 86 5.468 10.785 10.167 1.00 0.00 N ATOM 1345 CZ ARG A 86 6.484 10.453 10.955 1.00 0.00 C ATOM 1346 NH1 ARG A 86 6.917 9.200 10.992 1.00 0.00 N ATOM 1347 NH2 ARG A 86 7.070 11.375 11.708 1.00 0.00 N ATOM 0 H ARG A 86 5.207 8.398 5.588 1.00 0.00 H new ATOM 0 HA ARG A 86 3.463 10.216 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.485 10.269 6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.612 11.394 7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.280 8.412 7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.657 9.249 8.471 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.854 10.292 8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.470 8.966 9.896 1.00 0.00 H new ATOM 0 HE ARG A 86 5.160 11.757 10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.469 8.488 10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.698 8.948 11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.740 12.340 11.682 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.850 11.119 12.313 1.00 0.00 H new ATOM 1361 N ASN A 87 5.316 11.681 4.396 1.00 0.00 N ATOM 1362 CA ASN A 87 5.348 12.798 3.459 1.00 0.00 C ATOM 1363 C ASN A 87 4.805 12.380 2.096 1.00 0.00 C ATOM 1364 O ASN A 87 4.443 11.221 1.889 1.00 0.00 O ATOM 1365 CB ASN A 87 6.777 13.326 3.311 1.00 0.00 C ATOM 1366 CG ASN A 87 7.422 13.632 4.649 1.00 0.00 C ATOM 1367 OD1 ASN A 87 8.134 12.800 5.212 1.00 0.00 O ATOM 1368 ND2 ASN A 87 7.174 14.830 5.165 1.00 0.00 N ATOM 0 H ASN A 87 6.163 11.113 4.404 1.00 0.00 H new ATOM 0 HA ASN A 87 4.714 13.591 3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.380 12.590 2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.766 14.229 2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.580 15.092 6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.578 15.488 4.663 1.00 0.00 H new ATOM 1375 N LEU A 88 4.751 13.331 1.170 1.00 0.00 N ATOM 1376 CA LEU A 88 4.253 13.062 -0.174 1.00 0.00 C ATOM 1377 C LEU A 88 5.348 12.465 -1.052 1.00 0.00 C ATOM 1378 O LEU A 88 6.531 12.529 -0.715 1.00 0.00 O ATOM 1379 CB LEU A 88 3.720 14.348 -0.809 1.00 0.00 C ATOM 1380 CG LEU A 88 2.273 14.712 -0.474 1.00 0.00 C ATOM 1381 CD1 LEU A 88 1.899 16.045 -1.103 1.00 0.00 C ATOM 1382 CD2 LEU A 88 1.326 13.616 -0.939 1.00 0.00 C ATOM 0 H LEU A 88 5.046 14.295 1.325 1.00 0.00 H new ATOM 0 HA LEU A 88 3.441 12.339 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.362 15.174 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.810 14.259 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 88 2.183 14.806 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.866 16.288 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.557 16.825 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.005 15.979 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.301 13.892 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.418 13.489 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.580 12.680 -0.441 1.00 0.00 H new ATOM 1394 N ILE A 89 4.946 11.886 -2.179 1.00 0.00 N ATOM 1395 CA ILE A 89 5.894 11.280 -3.106 1.00 0.00 C ATOM 1396 C ILE A 89 5.468 11.505 -4.552 1.00 0.00 C ATOM 1397 O ILE A 89 4.452 12.148 -4.817 1.00 0.00 O ATOM 1398 CB ILE A 89 6.039 9.768 -2.855 1.00 0.00 C ATOM 1399 CG1 ILE A 89 4.678 9.078 -2.963 1.00 0.00 C ATOM 1400 CG2 ILE A 89 6.660 9.515 -1.489 1.00 0.00 C ATOM 1401 CD1 ILE A 89 4.769 7.625 -3.374 1.00 0.00 C ATOM 0 H ILE A 89 3.971 11.824 -2.472 1.00 0.00 H new ATOM 0 HA ILE A 89 6.856 11.762 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 89 6.699 9.350 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.169 9.144 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.064 9.614 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.756 8.442 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.646 9.978 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.024 9.944 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.767 7.199 -3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.250 7.552 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.356 7.075 -2.638 1.00 0.00 H new ATOM 1413 N GLU A 90 6.250 10.970 -5.484 1.00 0.00 N ATOM 1414 CA GLU A 90 5.953 11.112 -6.905 1.00 0.00 C ATOM 1415 C GLU A 90 5.730 9.749 -7.553 1.00 0.00 C ATOM 1416 O GLU A 90 6.663 9.099 -8.026 1.00 0.00 O ATOM 1417 CB GLU A 90 7.090 11.848 -7.616 1.00 0.00 C ATOM 1418 CG GLU A 90 6.939 13.360 -7.603 1.00 0.00 C ATOM 1419 CD GLU A 90 8.249 14.079 -7.861 1.00 0.00 C ATOM 1420 OE1 GLU A 90 9.314 13.447 -7.700 1.00 0.00 O ATOM 1421 OE2 GLU A 90 8.210 15.274 -8.222 1.00 0.00 O ATOM 0 H GLU A 90 7.094 10.434 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 90 5.037 11.695 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.035 11.582 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.143 11.506 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.212 13.655 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.541 13.673 -6.638 1.00 0.00 H new ATOM 1428 N PRO A 91 4.465 9.304 -7.576 1.00 0.00 N ATOM 1429 CA PRO A 91 4.090 8.015 -8.163 1.00 0.00 C ATOM 1430 C PRO A 91 4.223 8.008 -9.682 1.00 0.00 C ATOM 1431 O PRO A 91 4.200 6.951 -10.311 1.00 0.00 O ATOM 1432 CB PRO A 91 2.624 7.852 -7.754 1.00 0.00 C ATOM 1433 CG PRO A 91 2.130 9.243 -7.551 1.00 0.00 C ATOM 1434 CD PRO A 91 3.303 10.027 -7.031 1.00 0.00 C ATOM 0 HA PRO A 91 4.736 7.207 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 91 2.052 7.338 -8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.531 7.262 -6.842 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.761 9.666 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.302 9.264 -6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.278 11.062 -7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.319 10.051 -5.941 1.00 0.00 H new ATOM 1442 N GLU A 92 4.362 9.195 -10.264 1.00 0.00 N ATOM 1443 CA GLU A 92 4.499 9.325 -11.710 1.00 0.00 C ATOM 1444 C GLU A 92 5.853 8.800 -12.178 1.00 0.00 C ATOM 1445 O GLU A 92 6.042 8.508 -13.359 1.00 0.00 O ATOM 1446 CB GLU A 92 4.333 10.787 -12.131 1.00 0.00 C ATOM 1447 CG GLU A 92 2.900 11.285 -12.049 1.00 0.00 C ATOM 1448 CD GLU A 92 2.778 12.765 -12.358 1.00 0.00 C ATOM 1449 OE1 GLU A 92 2.711 13.116 -13.554 1.00 0.00 O ATOM 1450 OE2 GLU A 92 2.751 13.570 -11.405 1.00 0.00 O ATOM 0 H GLU A 92 4.383 10.080 -9.757 1.00 0.00 H new ATOM 0 HA GLU A 92 3.716 8.728 -12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.963 11.412 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.692 10.905 -13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.282 10.720 -12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.509 11.093 -11.050 1.00 0.00 H new ATOM 1457 N GLN A 93 6.791 8.683 -11.244 1.00 0.00 N ATOM 1458 CA GLN A 93 8.128 8.195 -11.561 1.00 0.00 C ATOM 1459 C GLN A 93 8.374 6.832 -10.923 1.00 0.00 C ATOM 1460 O GLN A 93 9.256 6.086 -11.352 1.00 0.00 O ATOM 1461 CB GLN A 93 9.184 9.193 -11.084 1.00 0.00 C ATOM 1462 CG GLN A 93 8.758 10.645 -11.224 1.00 0.00 C ATOM 1463 CD GLN A 93 9.935 11.587 -11.377 1.00 0.00 C ATOM 1464 OE1 GLN A 93 10.853 11.331 -12.158 1.00 0.00 O ATOM 1465 NE2 GLN A 93 9.916 12.686 -10.631 1.00 0.00 N ATOM 0 H GLN A 93 6.650 8.919 -10.262 1.00 0.00 H new ATOM 0 HA GLN A 93 8.202 8.088 -12.643 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.417 8.991 -10.038 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.102 9.036 -11.651 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.103 10.745 -12.089 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.177 10.935 -10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.136 12.859 -9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.682 13.357 -10.692 1.00 0.00 H new ATOM 1474 N CYS A 94 7.591 6.513 -9.899 1.00 0.00 N ATOM 1475 CA CYS A 94 7.725 5.239 -9.201 1.00 0.00 C ATOM 1476 C CYS A 94 7.664 4.073 -10.183 1.00 0.00 C ATOM 1477 O CYS A 94 7.142 4.205 -11.290 1.00 0.00 O ATOM 1478 CB CYS A 94 6.627 5.092 -8.147 1.00 0.00 C ATOM 1479 SG CYS A 94 6.827 6.180 -6.716 1.00 0.00 S ATOM 0 H CYS A 94 6.856 7.119 -9.533 1.00 0.00 H new ATOM 0 HA CYS A 94 8.696 5.224 -8.706 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.662 5.295 -8.612 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.604 4.058 -7.803 1.00 0.00 H new ATOM 0 HG CYS A 94 6.804 7.420 -7.107 1.00 0.00 H new ATOM 1485 N THR A 95 8.202 2.929 -9.769 1.00 0.00 N ATOM 1486 CA THR A 95 8.211 1.740 -10.612 1.00 0.00 C ATOM 1487 C THR A 95 8.057 0.474 -9.778 1.00 0.00 C ATOM 1488 O THR A 95 8.521 0.408 -8.639 1.00 0.00 O ATOM 1489 CB THR A 95 9.510 1.645 -11.435 1.00 0.00 C ATOM 1490 OG1 THR A 95 10.636 1.515 -10.560 1.00 0.00 O ATOM 1491 CG2 THR A 95 9.685 2.873 -12.315 1.00 0.00 C ATOM 0 H THR A 95 8.637 2.802 -8.855 1.00 0.00 H new ATOM 0 HA THR A 95 7.364 1.828 -11.293 1.00 0.00 H new ATOM 0 HB THR A 95 9.444 0.765 -12.075 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.457 1.453 -11.091 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.609 2.783 -12.886 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.841 2.953 -13.000 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.731 3.765 -11.690 1.00 0.00 H new ATOM 1499 N PHE A 96 7.404 -0.531 -10.352 1.00 0.00 N ATOM 1500 CA PHE A 96 7.189 -1.797 -9.660 1.00 0.00 C ATOM 1501 C PHE A 96 7.525 -2.977 -10.568 1.00 0.00 C ATOM 1502 O PHE A 96 6.948 -3.129 -11.645 1.00 0.00 O ATOM 1503 CB PHE A 96 5.739 -1.902 -9.184 1.00 0.00 C ATOM 1504 CG PHE A 96 4.773 -2.254 -10.279 1.00 0.00 C ATOM 1505 CD1 PHE A 96 4.590 -3.572 -10.664 1.00 0.00 C ATOM 1506 CD2 PHE A 96 4.047 -1.265 -10.924 1.00 0.00 C ATOM 1507 CE1 PHE A 96 3.701 -3.899 -11.671 1.00 0.00 C ATOM 1508 CE2 PHE A 96 3.157 -1.586 -11.932 1.00 0.00 C ATOM 1509 CZ PHE A 96 2.985 -2.904 -12.306 1.00 0.00 C ATOM 0 H PHE A 96 7.015 -0.494 -11.294 1.00 0.00 H new ATOM 0 HA PHE A 96 7.851 -1.827 -8.795 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.676 -2.656 -8.399 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.441 -0.953 -8.739 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.149 -4.354 -10.171 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.178 -0.232 -10.636 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.567 -4.931 -11.960 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.597 -0.806 -12.427 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.291 -3.156 -13.094 1.00 0.00 H new ATOM 1519 N CYS A 97 8.462 -3.808 -10.125 1.00 0.00 N ATOM 1520 CA CYS A 97 8.877 -4.974 -10.898 1.00 0.00 C ATOM 1521 C CYS A 97 9.242 -6.134 -9.977 1.00 0.00 C ATOM 1522 O CYS A 97 9.989 -5.963 -9.013 1.00 0.00 O ATOM 1523 CB CYS A 97 10.067 -4.622 -11.792 1.00 0.00 C ATOM 1524 SG CYS A 97 10.249 -5.695 -13.235 1.00 0.00 S ATOM 0 H CYS A 97 8.949 -3.696 -9.235 1.00 0.00 H new ATOM 0 HA CYS A 97 8.040 -5.281 -11.525 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.961 -3.591 -12.130 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.980 -4.671 -11.199 1.00 0.00 H new ATOM 0 HG CYS A 97 11.281 -5.317 -13.930 1.00 0.00 H new ATOM 1530 N PHE A 98 8.710 -7.313 -10.280 1.00 0.00 N ATOM 1531 CA PHE A 98 8.978 -8.501 -9.479 1.00 0.00 C ATOM 1532 C PHE A 98 10.386 -9.027 -9.740 1.00 0.00 C ATOM 1533 O PHE A 98 10.993 -8.730 -10.769 1.00 0.00 O ATOM 1534 CB PHE A 98 7.949 -9.592 -9.785 1.00 0.00 C ATOM 1535 CG PHE A 98 6.527 -9.116 -9.699 1.00 0.00 C ATOM 1536 CD1 PHE A 98 5.924 -8.491 -10.779 1.00 0.00 C ATOM 1537 CD2 PHE A 98 5.794 -9.292 -8.536 1.00 0.00 C ATOM 1538 CE1 PHE A 98 4.616 -8.052 -10.702 1.00 0.00 C ATOM 1539 CE2 PHE A 98 4.485 -8.855 -8.454 1.00 0.00 C ATOM 1540 CZ PHE A 98 3.896 -8.234 -9.538 1.00 0.00 C ATOM 0 H PHE A 98 8.091 -7.471 -11.075 1.00 0.00 H new ATOM 0 HA PHE A 98 8.902 -8.224 -8.428 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.133 -9.983 -10.786 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.090 -10.419 -9.089 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.483 -8.345 -11.692 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.250 -9.776 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.157 -7.567 -11.551 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.923 -8.999 -7.543 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.874 -7.891 -9.475 1.00 0.00 H new ATOM 1550 N THR A 99 10.902 -9.812 -8.798 1.00 0.00 N ATOM 1551 CA THR A 99 12.239 -10.378 -8.924 1.00 0.00 C ATOM 1552 C THR A 99 12.213 -11.893 -8.752 1.00 0.00 C ATOM 1553 O THR A 99 11.145 -12.499 -8.670 1.00 0.00 O ATOM 1554 CB THR A 99 13.206 -9.772 -7.889 1.00 0.00 C ATOM 1555 OG1 THR A 99 13.250 -10.596 -6.718 1.00 0.00 O ATOM 1556 CG2 THR A 99 12.777 -8.364 -7.508 1.00 0.00 C ATOM 0 H THR A 99 10.414 -10.070 -7.940 1.00 0.00 H new ATOM 0 HA THR A 99 12.592 -10.134 -9.926 1.00 0.00 H new ATOM 0 HB THR A 99 14.199 -9.724 -8.336 1.00 0.00 H new ATOM 0 HG1 THR A 99 14.067 -11.138 -6.730 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.475 -7.957 -6.776 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.773 -7.732 -8.396 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.776 -8.393 -7.078 1.00 0.00 H new ATOM 1564 N ALA A 100 13.395 -12.498 -8.698 1.00 0.00 N ATOM 1565 CA ALA A 100 13.507 -13.942 -8.533 1.00 0.00 C ATOM 1566 C ALA A 100 12.561 -14.446 -7.448 1.00 0.00 C ATOM 1567 O ALA A 100 11.528 -15.048 -7.742 1.00 0.00 O ATOM 1568 CB ALA A 100 14.942 -14.326 -8.204 1.00 0.00 C ATOM 0 H ALA A 100 14.288 -12.011 -8.766 1.00 0.00 H new ATOM 0 HA ALA A 100 13.223 -14.413 -9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.011 -15.407 -8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.598 -14.009 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.246 -13.838 -7.278 1.00 0.00 H new ATOM 1574 N SER A 101 12.920 -14.196 -6.193 1.00 0.00 N ATOM 1575 CA SER A 101 12.106 -14.628 -5.064 1.00 0.00 C ATOM 1576 C SER A 101 11.668 -13.434 -4.221 1.00 0.00 C ATOM 1577 O SER A 101 11.277 -13.587 -3.064 1.00 0.00 O ATOM 1578 CB SER A 101 12.883 -15.620 -4.197 1.00 0.00 C ATOM 1579 OG SER A 101 14.272 -15.343 -4.225 1.00 0.00 O ATOM 0 H SER A 101 13.770 -13.696 -5.933 1.00 0.00 H new ATOM 0 HA SER A 101 11.216 -15.119 -5.457 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.520 -15.572 -3.170 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.704 -16.635 -4.551 1.00 0.00 H new ATOM 0 HG SER A 101 14.746 -15.990 -3.662 1.00 0.00 H new ATOM 1585 N ARG A 102 11.736 -12.245 -4.811 1.00 0.00 N ATOM 1586 CA ARG A 102 11.348 -11.024 -4.115 1.00 0.00 C ATOM 1587 C ARG A 102 10.816 -9.984 -5.098 1.00 0.00 C ATOM 1588 O ARG A 102 10.901 -10.164 -6.313 1.00 0.00 O ATOM 1589 CB ARG A 102 12.538 -10.450 -3.344 1.00 0.00 C ATOM 1590 CG ARG A 102 13.548 -9.734 -4.226 1.00 0.00 C ATOM 1591 CD ARG A 102 14.405 -8.769 -3.422 1.00 0.00 C ATOM 1592 NE ARG A 102 15.437 -8.140 -4.242 1.00 0.00 N ATOM 1593 CZ ARG A 102 16.494 -8.788 -4.719 1.00 0.00 C ATOM 1594 NH1 ARG A 102 16.657 -10.078 -4.459 1.00 0.00 N ATOM 1595 NH2 ARG A 102 17.390 -8.147 -5.457 1.00 0.00 N ATOM 0 H ARG A 102 12.056 -12.101 -5.769 1.00 0.00 H new ATOM 0 HA ARG A 102 10.554 -11.274 -3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.170 -9.755 -2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 102 13.041 -11.259 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.187 -10.467 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 102 13.025 -9.189 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.770 -7.999 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.874 -9.303 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 102 15.341 -7.148 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.970 -10.575 -3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.469 -10.574 -4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.268 -7.155 -5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.201 -8.646 -5.822 1.00 0.00 H new ATOM 1609 N ILE A 103 10.269 -8.898 -4.563 1.00 0.00 N ATOM 1610 CA ILE A 103 9.724 -7.830 -5.392 1.00 0.00 C ATOM 1611 C ILE A 103 10.523 -6.542 -5.224 1.00 0.00 C ATOM 1612 O ILE A 103 10.972 -6.217 -4.125 1.00 0.00 O ATOM 1613 CB ILE A 103 8.247 -7.553 -5.055 1.00 0.00 C ATOM 1614 CG1 ILE A 103 7.480 -8.868 -4.907 1.00 0.00 C ATOM 1615 CG2 ILE A 103 7.613 -6.682 -6.130 1.00 0.00 C ATOM 1616 CD1 ILE A 103 6.244 -8.753 -4.042 1.00 0.00 C ATOM 0 H ILE A 103 10.191 -8.734 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 103 9.795 -8.166 -6.426 1.00 0.00 H new ATOM 0 HB ILE A 103 8.200 -7.018 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.190 -9.223 -5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.144 -9.620 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.569 -6.495 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.147 -5.734 -6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.668 -7.193 -7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.751 -9.723 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.529 -8.428 -3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.561 -8.025 -4.479 1.00 0.00 H new ATOM 1628 N ASP A 104 10.694 -5.811 -6.320 1.00 0.00 N ATOM 1629 CA ASP A 104 11.436 -4.556 -6.294 1.00 0.00 C ATOM 1630 C ASP A 104 10.516 -3.375 -6.586 1.00 0.00 C ATOM 1631 O ASP A 104 9.839 -3.342 -7.614 1.00 0.00 O ATOM 1632 CB ASP A 104 12.578 -4.592 -7.311 1.00 0.00 C ATOM 1633 CG ASP A 104 13.760 -3.743 -6.885 1.00 0.00 C ATOM 1634 OD1 ASP A 104 14.647 -4.272 -6.184 1.00 0.00 O ATOM 1635 OD2 ASP A 104 13.796 -2.550 -7.253 1.00 0.00 O ATOM 0 H ASP A 104 10.329 -6.066 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 104 11.854 -4.430 -5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.905 -5.622 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.212 -4.242 -8.276 1.00 0.00 H new ATOM 1640 N ILE A 105 10.496 -2.408 -5.675 1.00 0.00 N ATOM 1641 CA ILE A 105 9.659 -1.225 -5.835 1.00 0.00 C ATOM 1642 C ILE A 105 10.444 0.048 -5.538 1.00 0.00 C ATOM 1643 O ILE A 105 10.827 0.301 -4.395 1.00 0.00 O ATOM 1644 CB ILE A 105 8.425 -1.281 -4.915 1.00 0.00 C ATOM 1645 CG1 ILE A 105 7.597 -2.533 -5.210 1.00 0.00 C ATOM 1646 CG2 ILE A 105 7.579 -0.028 -5.088 1.00 0.00 C ATOM 1647 CD1 ILE A 105 6.852 -3.063 -4.005 1.00 0.00 C ATOM 0 H ILE A 105 11.050 -2.420 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 105 9.328 -1.210 -6.873 1.00 0.00 H new ATOM 0 HB ILE A 105 8.764 -1.328 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.880 -2.307 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 105 8.256 -3.313 -5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.711 -0.082 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.173 0.850 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.247 0.047 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.287 -3.951 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.564 -3.321 -3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.167 -2.299 -3.636 1.00 0.00 H new ATOM 1659 N CYS A 106 10.678 0.847 -6.573 1.00 0.00 N ATOM 1660 CA CYS A 106 11.416 2.096 -6.423 1.00 0.00 C ATOM 1661 C CYS A 106 10.463 3.272 -6.235 1.00 0.00 C ATOM 1662 O CYS A 106 9.751 3.662 -7.161 1.00 0.00 O ATOM 1663 CB CYS A 106 12.307 2.336 -7.643 1.00 0.00 C ATOM 1664 SG CYS A 106 13.808 3.279 -7.288 1.00 0.00 S ATOM 0 H CYS A 106 10.367 0.652 -7.525 1.00 0.00 H new ATOM 0 HA CYS A 106 12.043 2.014 -5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 106 12.588 1.373 -8.069 1.00 0.00 H new ATOM 0 HB3 CYS A 106 11.730 2.864 -8.402 1.00 0.00 H new ATOM 0 HG CYS A 106 14.496 3.428 -8.381 1.00 0.00 H new ATOM 1670 N LEU A 107 10.454 3.832 -5.030 1.00 0.00 N ATOM 1671 CA LEU A 107 9.587 4.963 -4.719 1.00 0.00 C ATOM 1672 C LEU A 107 10.357 6.277 -4.800 1.00 0.00 C ATOM 1673 O LEU A 107 11.304 6.501 -4.046 1.00 0.00 O ATOM 1674 CB LEU A 107 8.981 4.798 -3.324 1.00 0.00 C ATOM 1675 CG LEU A 107 7.878 3.747 -3.191 1.00 0.00 C ATOM 1676 CD1 LEU A 107 7.795 3.239 -1.761 1.00 0.00 C ATOM 1677 CD2 LEU A 107 6.540 4.320 -3.635 1.00 0.00 C ATOM 0 H LEU A 107 11.037 3.521 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 107 8.784 4.988 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.782 4.545 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.578 5.760 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 107 8.123 2.906 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.005 2.492 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.747 2.790 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.573 4.070 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.767 3.559 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.288 5.179 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.606 4.634 -4.677 1.00 0.00 H new ATOM 1689 N ARG A 108 9.941 7.145 -5.717 1.00 0.00 N ATOM 1690 CA ARG A 108 10.591 8.438 -5.895 1.00 0.00 C ATOM 1691 C ARG A 108 9.878 9.520 -5.090 1.00 0.00 C ATOM 1692 O ARG A 108 8.742 9.887 -5.392 1.00 0.00 O ATOM 1693 CB ARG A 108 10.615 8.821 -7.376 1.00 0.00 C ATOM 1694 CG ARG A 108 11.103 10.238 -7.631 1.00 0.00 C ATOM 1695 CD ARG A 108 12.567 10.399 -7.252 1.00 0.00 C ATOM 1696 NE ARG A 108 13.460 9.921 -8.304 1.00 0.00 N ATOM 1697 CZ ARG A 108 13.596 10.520 -9.482 1.00 0.00 C ATOM 1698 NH1 ARG A 108 12.901 11.615 -9.756 1.00 0.00 N ATOM 1699 NH2 ARG A 108 14.430 10.024 -10.387 1.00 0.00 N ATOM 0 H ARG A 108 9.157 6.976 -6.348 1.00 0.00 H new ATOM 0 HA ARG A 108 11.615 8.355 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.257 8.123 -7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.611 8.712 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.969 10.486 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.498 10.941 -7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.776 11.449 -7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.766 9.851 -6.331 1.00 0.00 H new ATOM 0 HE ARG A 108 14.010 9.081 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.260 11.999 -9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.007 12.073 -10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.967 9.182 -10.178 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.534 10.484 -11.291 1.00 0.00 H new ATOM 1713 N LYS A 109 10.552 10.028 -4.064 1.00 0.00 N ATOM 1714 CA LYS A 109 9.985 11.068 -3.214 1.00 0.00 C ATOM 1715 C LYS A 109 10.062 12.430 -3.898 1.00 0.00 C ATOM 1716 O LYS A 109 10.874 12.638 -4.799 1.00 0.00 O ATOM 1717 CB LYS A 109 10.719 11.117 -1.872 1.00 0.00 C ATOM 1718 CG LYS A 109 10.818 9.766 -1.184 1.00 0.00 C ATOM 1719 CD LYS A 109 12.056 9.676 -0.309 1.00 0.00 C ATOM 1720 CE LYS A 109 11.928 10.548 0.931 1.00 0.00 C ATOM 1721 NZ LYS A 109 13.258 10.921 1.487 1.00 0.00 N ATOM 0 H LYS A 109 11.493 9.736 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 109 8.937 10.827 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 109 11.724 11.509 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 109 10.205 11.815 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 109 9.929 9.600 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 109 10.843 8.976 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.218 8.640 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 109 12.931 9.983 -0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.372 11.452 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.353 10.018 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 13.127 11.515 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.779 10.060 1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.797 11.449 0.772 1.00 0.00 H new