USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 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 29 TYR OH : rot 105:sc= 0 USER MOD Set 1.2: A 105 GLN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Set 2.1: A 97 HIS : no HD1:sc= 1.11 K(o=2.4,f=-5!) USER MOD Set 2.2: A 99 SER OG : rot -87:sc= 1.24 USER MOD Set 3.1: A 50 ASN : amide:sc= -0.219 X(o=-0.76,f=-0.7) USER MOD Set 3.2: A 53 MET CE :methyl -170:sc= 0 (180deg=-0.068) USER MOD Set 3.3: A 86 ASN : amide:sc= -0.544 K(o=-0.76,f=-1.5) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= -0.0037 (180deg=-0.0421) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= 1.31 (180deg=1.23) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 153:sc= -0.0538 (180deg=-0.351) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.0086) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.0991 K(o=0.099,f=-4.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 60:sc= 1.29 USER MOD Single : A 61 SER OG : rot 178:sc= 1.26 USER MOD Single : A 67 HIS : no HD1:sc= 0.276 K(o=0.28,f=-6.5!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -31:sc= 0.251 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 82:sc= 0.0981 USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.18) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -180:sc= 1.13 USER MOD Single : A 102 GLN : amide:sc= -0.67 K(o=-0.67,f=-3.2!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -23:sc= 0.891 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 17 -1.940 10.005 13.833 1.00 0.00 N ATOM 198 CA LYS A 17 -2.376 8.859 13.037 1.00 0.00 C ATOM 199 C LYS A 17 -2.332 9.215 11.553 1.00 0.00 C ATOM 200 O LYS A 17 -1.727 8.480 10.776 1.00 0.00 O ATOM 201 CB LYS A 17 -3.777 8.392 13.462 1.00 0.00 C ATOM 202 CG LYS A 17 -4.038 6.928 13.082 1.00 0.00 C ATOM 203 CD LYS A 17 -3.413 5.949 14.090 1.00 0.00 C ATOM 204 CE LYS A 17 -3.537 4.478 13.681 1.00 0.00 C ATOM 205 NZ LYS A 17 -4.918 4.089 13.342 1.00 0.00 N ATOM 0 HA LYS A 17 -1.694 8.027 13.213 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.887 8.511 14.540 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.528 9.027 12.993 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.113 6.754 13.027 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.632 6.734 12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.358 6.194 14.214 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.889 6.088 15.061 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.891 4.289 12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.178 3.849 14.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.955 3.066 13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.548 4.319 14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.226 4.607 12.494 1.00 0.00 H new ATOM 219 N ALA A 18 -2.906 10.360 11.168 1.00 0.00 N ATOM 220 CA ALA A 18 -2.933 10.775 9.772 1.00 0.00 C ATOM 221 C ALA A 18 -1.522 10.993 9.213 1.00 0.00 C ATOM 222 O ALA A 18 -1.334 10.849 8.010 1.00 0.00 O ATOM 223 CB ALA A 18 -3.806 12.022 9.592 1.00 0.00 C ATOM 0 H ALA A 18 -3.357 11.013 11.809 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.379 9.964 9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.811 12.314 8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.824 11.803 9.913 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.404 12.838 10.193 1.00 0.00 H new ATOM 229 N ALA A 19 -0.525 11.310 10.043 1.00 0.00 N ATOM 230 CA ALA A 19 0.874 11.374 9.643 1.00 0.00 C ATOM 231 C ALA A 19 1.444 9.982 9.376 1.00 0.00 C ATOM 232 O ALA A 19 2.385 9.854 8.603 1.00 0.00 O ATOM 233 CB ALA A 19 1.699 12.056 10.736 1.00 0.00 C ATOM 0 H ALA A 19 -0.675 11.532 11.027 1.00 0.00 H new ATOM 0 HA ALA A 19 0.929 11.951 8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.744 12.100 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.325 13.067 10.896 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.616 11.487 11.662 1.00 0.00 H new ATOM 239 N GLY A 20 0.920 8.929 10.004 1.00 0.00 N ATOM 240 CA GLY A 20 1.253 7.549 9.674 1.00 0.00 C ATOM 241 C GLY A 20 0.813 7.262 8.247 1.00 0.00 C ATOM 242 O GLY A 20 1.618 6.828 7.424 1.00 0.00 O ATOM 0 H GLY A 20 0.245 9.015 10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.326 7.385 9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.758 6.867 10.365 1.00 0.00 H new ATOM 246 N GLU A 21 -0.459 7.542 7.953 1.00 0.00 N ATOM 247 CA GLU A 21 -1.030 7.436 6.616 1.00 0.00 C ATOM 248 C GLU A 21 -0.192 8.230 5.603 1.00 0.00 C ATOM 249 O GLU A 21 0.334 7.652 4.651 1.00 0.00 O ATOM 250 CB GLU A 21 -2.504 7.877 6.613 1.00 0.00 C ATOM 251 CG GLU A 21 -3.470 6.823 7.172 1.00 0.00 C ATOM 252 CD GLU A 21 -3.698 6.866 8.685 1.00 0.00 C ATOM 253 OE1 GLU A 21 -4.481 7.734 9.148 1.00 0.00 O ATOM 254 OE2 GLU A 21 -3.172 5.977 9.398 1.00 0.00 O ATOM 0 H GLU A 21 -1.131 7.855 8.654 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.005 6.390 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.601 8.791 7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.798 8.120 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.433 6.940 6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.093 5.835 6.908 1.00 0.00 H new ATOM 261 N VAL A 22 -0.035 9.540 5.811 1.00 0.00 N ATOM 262 CA VAL A 22 0.647 10.422 4.870 1.00 0.00 C ATOM 263 C VAL A 22 2.107 10.014 4.673 1.00 0.00 C ATOM 264 O VAL A 22 2.546 10.021 3.527 1.00 0.00 O ATOM 265 CB VAL A 22 0.494 11.895 5.298 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.335 12.867 4.457 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.966 12.342 5.148 1.00 0.00 C ATOM 0 H VAL A 22 -0.381 10.018 6.643 1.00 0.00 H new ATOM 0 HA VAL A 22 0.170 10.319 3.895 1.00 0.00 H new ATOM 0 HB VAL A 22 0.836 11.930 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.179 13.885 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.390 12.608 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.034 12.798 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.061 13.384 5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.273 12.240 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.603 11.720 5.777 1.00 0.00 H new ATOM 277 N LYS A 23 2.863 9.636 5.718 1.00 0.00 N ATOM 278 CA LYS A 23 4.260 9.218 5.542 1.00 0.00 C ATOM 279 C LYS A 23 4.321 8.091 4.524 1.00 0.00 C ATOM 280 O LYS A 23 5.119 8.155 3.592 1.00 0.00 O ATOM 281 CB LYS A 23 4.903 8.800 6.880 1.00 0.00 C ATOM 282 CG LYS A 23 6.443 8.805 6.874 1.00 0.00 C ATOM 283 CD LYS A 23 7.161 7.571 6.293 1.00 0.00 C ATOM 284 CE LYS A 23 8.659 7.900 6.276 1.00 0.00 C ATOM 285 NZ LYS A 23 9.539 6.814 5.796 1.00 0.00 N ATOM 0 H LYS A 23 2.533 9.612 6.683 1.00 0.00 H new ATOM 0 HA LYS A 23 4.836 10.066 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.553 9.472 7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.556 7.800 7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.773 9.680 6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.782 8.937 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.966 6.688 6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.801 7.352 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.815 8.776 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.965 8.174 7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.510 6.982 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.200 5.903 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.527 6.791 4.756 1.00 0.00 H new ATOM 299 N ALA A 24 3.461 7.089 4.698 1.00 0.00 N ATOM 300 CA ALA A 24 3.435 5.942 3.818 1.00 0.00 C ATOM 301 C ALA A 24 2.997 6.320 2.400 1.00 0.00 C ATOM 302 O ALA A 24 3.573 5.793 1.454 1.00 0.00 O ATOM 303 CB ALA A 24 2.557 4.847 4.427 1.00 0.00 C ATOM 0 H ALA A 24 2.772 7.057 5.449 1.00 0.00 H new ATOM 0 HA ALA A 24 4.448 5.552 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.539 3.983 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.963 4.551 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.543 5.225 4.559 1.00 0.00 H new ATOM 309 N LEU A 25 2.028 7.228 2.216 1.00 0.00 N ATOM 310 CA LEU A 25 1.679 7.705 0.871 1.00 0.00 C ATOM 311 C LEU A 25 2.886 8.391 0.227 1.00 0.00 C ATOM 312 O LEU A 25 3.171 8.148 -0.939 1.00 0.00 O ATOM 313 CB LEU A 25 0.522 8.718 0.900 1.00 0.00 C ATOM 314 CG LEU A 25 0.058 9.121 -0.516 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.111 8.294 -1.056 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.346 10.588 -0.451 1.00 0.00 C ATOM 0 H LEU A 25 1.479 7.642 2.970 1.00 0.00 H new ATOM 0 HA LEU A 25 1.373 6.831 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.318 8.290 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.836 9.609 1.444 1.00 0.00 H new ATOM 0 HG LEU A 25 0.883 8.938 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.373 8.643 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.823 7.244 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.971 8.405 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.682 10.917 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.155 10.711 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.510 11.188 -0.141 1.00 0.00 H new ATOM 328 N ASP A 26 3.555 9.276 0.969 1.00 0.00 N ATOM 329 CA ASP A 26 4.685 10.074 0.497 1.00 0.00 C ATOM 330 C ASP A 26 5.760 9.147 -0.026 1.00 0.00 C ATOM 331 O ASP A 26 6.196 9.262 -1.168 1.00 0.00 O ATOM 332 CB ASP A 26 5.265 10.899 1.656 1.00 0.00 C ATOM 333 CG ASP A 26 6.093 12.105 1.220 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.741 12.091 0.153 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.123 13.077 2.013 1.00 0.00 O ATOM 0 H ASP A 26 3.317 9.462 1.943 1.00 0.00 H new ATOM 0 HA ASP A 26 4.345 10.745 -0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.445 11.245 2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.887 10.250 2.272 1.00 0.00 H new ATOM 340 N ASP A 27 6.150 8.202 0.832 1.00 0.00 N ATOM 341 CA ASP A 27 7.274 7.325 0.579 1.00 0.00 C ATOM 342 C ASP A 27 6.942 6.411 -0.605 1.00 0.00 C ATOM 343 O ASP A 27 7.751 6.218 -1.513 1.00 0.00 O ATOM 344 CB ASP A 27 7.605 6.498 1.838 1.00 0.00 C ATOM 345 CG ASP A 27 9.095 6.187 2.005 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.850 6.098 1.010 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.541 6.085 3.172 1.00 0.00 O ATOM 0 H ASP A 27 5.686 8.030 1.724 1.00 0.00 H new ATOM 0 HA ASP A 27 8.153 7.920 0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.257 7.039 2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.051 5.560 1.800 1.00 0.00 H new ATOM 352 N PHE A 28 5.697 5.911 -0.627 1.00 0.00 N ATOM 353 CA PHE A 28 5.141 5.149 -1.730 1.00 0.00 C ATOM 354 C PHE A 28 5.262 5.915 -3.033 1.00 0.00 C ATOM 355 O PHE A 28 5.817 5.390 -3.990 1.00 0.00 O ATOM 356 CB PHE A 28 3.677 4.778 -1.493 1.00 0.00 C ATOM 357 CG PHE A 28 3.084 4.114 -2.714 1.00 0.00 C ATOM 358 CD1 PHE A 28 3.353 2.759 -2.956 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.321 4.855 -3.636 1.00 0.00 C ATOM 360 CE1 PHE A 28 2.742 2.113 -4.040 1.00 0.00 C ATOM 361 CE2 PHE A 28 1.822 4.227 -4.788 1.00 0.00 C ATOM 362 CZ PHE A 28 2.001 2.849 -4.976 1.00 0.00 C ATOM 0 H PHE A 28 5.042 6.034 0.145 1.00 0.00 H new ATOM 0 HA PHE A 28 5.720 4.228 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.602 4.107 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.106 5.673 -1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.027 2.216 -2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.121 5.901 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.842 1.044 -4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.298 4.808 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.571 2.358 -5.836 1.00 0.00 H new ATOM 372 N TYR A 29 4.701 7.120 -3.108 1.00 0.00 N ATOM 373 CA TYR A 29 4.727 7.907 -4.329 1.00 0.00 C ATOM 374 C TYR A 29 6.146 8.201 -4.779 1.00 0.00 C ATOM 375 O TYR A 29 6.448 8.127 -5.967 1.00 0.00 O ATOM 376 CB TYR A 29 4.016 9.234 -4.092 1.00 0.00 C ATOM 377 CG TYR A 29 2.555 9.231 -4.438 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.104 8.576 -5.596 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.669 9.980 -3.653 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.768 8.685 -5.981 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.324 10.106 -4.042 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.132 9.461 -5.216 1.00 0.00 C ATOM 383 OH TYR A 29 -1.425 9.602 -5.605 1.00 0.00 O ATOM 0 H TYR A 29 4.221 7.571 -2.329 1.00 0.00 H new ATOM 0 HA TYR A 29 4.227 7.327 -5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.127 9.508 -3.043 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.513 10.007 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.791 7.989 -6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.019 10.460 -2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.420 8.175 -6.867 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.359 10.693 -3.447 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.000 9.049 -5.036 1.00 0.00 H new ATOM 393 N LYS A 30 7.024 8.524 -3.834 1.00 0.00 N ATOM 394 CA LYS A 30 8.442 8.675 -4.113 1.00 0.00 C ATOM 395 C LYS A 30 8.947 7.444 -4.865 1.00 0.00 C ATOM 396 O LYS A 30 9.524 7.594 -5.944 1.00 0.00 O ATOM 397 CB LYS A 30 9.213 8.947 -2.810 1.00 0.00 C ATOM 398 CG LYS A 30 10.191 10.101 -3.039 1.00 0.00 C ATOM 399 CD LYS A 30 11.011 10.454 -1.797 1.00 0.00 C ATOM 400 CE LYS A 30 10.155 11.142 -0.723 1.00 0.00 C ATOM 401 NZ LYS A 30 10.841 11.115 0.580 1.00 0.00 N ATOM 0 H LYS A 30 6.771 8.687 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 30 8.612 9.538 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.519 9.196 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.753 8.053 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.869 9.838 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.635 10.981 -3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.453 9.547 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.835 11.109 -2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.956 12.173 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.190 10.641 -0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.248 11.584 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.009 10.129 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.751 11.613 0.504 1.00 0.00 H new ATOM 415 N MET A 31 8.688 6.246 -4.341 1.00 0.00 N ATOM 416 CA MET A 31 9.027 4.989 -4.992 1.00 0.00 C ATOM 417 C MET A 31 8.314 4.839 -6.348 1.00 0.00 C ATOM 418 O MET A 31 8.949 4.409 -7.306 1.00 0.00 O ATOM 419 CB MET A 31 8.699 3.820 -4.052 1.00 0.00 C ATOM 420 CG MET A 31 9.417 2.541 -4.486 1.00 0.00 C ATOM 421 SD MET A 31 11.058 2.311 -3.747 1.00 0.00 S ATOM 422 CE MET A 31 10.528 1.559 -2.189 1.00 0.00 C ATOM 0 H MET A 31 8.230 6.124 -3.438 1.00 0.00 H new ATOM 0 HA MET A 31 10.097 4.983 -5.202 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.991 4.076 -3.034 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.622 3.650 -4.041 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.794 1.685 -4.229 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.519 2.547 -5.571 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.323 0.921 -1.804 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.308 2.342 -1.463 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.633 0.960 -2.360 1.00 0.00 H new ATOM 432 N LEU A 32 7.034 5.219 -6.464 1.00 0.00 N ATOM 433 CA LEU A 32 6.214 5.132 -7.677 1.00 0.00 C ATOM 434 C LEU A 32 6.864 5.879 -8.849 1.00 0.00 C ATOM 435 O LEU A 32 6.668 5.523 -10.013 1.00 0.00 O ATOM 436 CB LEU A 32 4.796 5.675 -7.395 1.00 0.00 C ATOM 437 CG LEU A 32 3.763 5.330 -8.481 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.289 3.886 -8.353 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.532 6.228 -8.337 1.00 0.00 C ATOM 0 H LEU A 32 6.519 5.614 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 32 6.139 4.083 -7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.450 5.278 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.848 6.759 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 32 4.247 5.478 -9.446 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.560 3.672 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.140 3.213 -8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.828 3.740 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.806 5.977 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.084 6.076 -7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.828 7.272 -8.443 1.00 0.00 H new ATOM 451 N GLN A 33 7.629 6.923 -8.539 1.00 0.00 N ATOM 452 CA GLN A 33 8.442 7.668 -9.482 1.00 0.00 C ATOM 453 C GLN A 33 9.749 6.900 -9.729 1.00 0.00 C ATOM 454 O GLN A 33 10.054 6.567 -10.873 1.00 0.00 O ATOM 455 CB GLN A 33 8.718 9.072 -8.914 1.00 0.00 C ATOM 456 CG GLN A 33 7.455 9.881 -8.541 1.00 0.00 C ATOM 457 CD GLN A 33 6.976 10.803 -9.654 1.00 0.00 C ATOM 458 OE1 GLN A 33 7.342 11.976 -9.679 1.00 0.00 O ATOM 459 NE2 GLN A 33 6.148 10.324 -10.568 1.00 0.00 N ATOM 0 H GLN A 33 7.698 7.282 -7.587 1.00 0.00 H new ATOM 0 HA GLN A 33 7.921 7.780 -10.433 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.344 8.973 -8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.292 9.639 -9.647 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.653 9.190 -8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.663 10.475 -7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.856 9.347 -10.530 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.802 10.931 -11.311 1.00 0.00 H new ATOM 468 N HIS A 34 10.540 6.654 -8.678 1.00 0.00 N ATOM 469 CA HIS A 34 11.925 6.205 -8.799 1.00 0.00 C ATOM 470 C HIS A 34 12.053 4.762 -9.293 1.00 0.00 C ATOM 471 O HIS A 34 12.811 4.506 -10.232 1.00 0.00 O ATOM 472 CB HIS A 34 12.648 6.377 -7.456 1.00 0.00 C ATOM 473 CG HIS A 34 12.850 7.826 -7.076 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.524 8.769 -7.821 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.393 8.450 -5.949 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.488 9.932 -7.156 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.796 9.790 -6.011 1.00 0.00 N ATOM 0 H HIS A 34 10.230 6.763 -7.712 1.00 0.00 H new ATOM 0 HA HIS A 34 12.395 6.830 -9.558 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.075 5.879 -6.674 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.618 5.881 -7.505 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.824 7.992 -5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.948 10.850 -7.491 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.602 10.517 -5.322 1.00 0.00 H new ATOM 485 N GLU A 35 11.360 3.818 -8.663 1.00 0.00 N ATOM 486 CA GLU A 35 11.374 2.404 -9.009 1.00 0.00 C ATOM 487 C GLU A 35 9.995 1.815 -8.685 1.00 0.00 C ATOM 488 O GLU A 35 9.837 1.142 -7.663 1.00 0.00 O ATOM 489 CB GLU A 35 12.564 1.671 -8.351 1.00 0.00 C ATOM 490 CG GLU A 35 12.749 1.815 -6.833 1.00 0.00 C ATOM 491 CD GLU A 35 14.163 1.401 -6.411 1.00 0.00 C ATOM 492 OE1 GLU A 35 15.117 2.198 -6.586 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.370 0.265 -5.925 1.00 0.00 O ATOM 0 H GLU A 35 10.753 4.026 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 35 11.543 2.266 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.468 0.609 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.478 2.018 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.565 2.848 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.015 1.199 -6.313 1.00 0.00 H new ATOM 500 N PRO A 36 8.986 2.038 -9.550 1.00 0.00 N ATOM 501 CA PRO A 36 7.623 1.572 -9.313 1.00 0.00 C ATOM 502 C PRO A 36 7.491 0.052 -9.209 1.00 0.00 C ATOM 503 O PRO A 36 6.451 -0.438 -8.772 1.00 0.00 O ATOM 504 CB PRO A 36 6.757 2.144 -10.438 1.00 0.00 C ATOM 505 CG PRO A 36 7.763 2.529 -11.520 1.00 0.00 C ATOM 506 CD PRO A 36 9.032 2.863 -10.750 1.00 0.00 C ATOM 0 HA PRO A 36 7.292 1.926 -8.337 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.040 1.408 -10.803 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.184 3.008 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.927 1.710 -12.221 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.414 3.382 -12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.920 2.644 -11.343 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.070 3.923 -10.497 1.00 0.00 H new ATOM 514 N ASP A 37 8.541 -0.707 -9.519 1.00 0.00 N ATOM 515 CA ASP A 37 8.609 -2.143 -9.272 1.00 0.00 C ATOM 516 C ASP A 37 8.504 -2.452 -7.774 1.00 0.00 C ATOM 517 O ASP A 37 8.225 -3.593 -7.411 1.00 0.00 O ATOM 518 CB ASP A 37 9.905 -2.729 -9.853 1.00 0.00 C ATOM 519 CG ASP A 37 10.068 -2.464 -11.349 1.00 0.00 C ATOM 520 OD1 ASP A 37 9.093 -2.643 -12.116 1.00 0.00 O ATOM 521 OD2 ASP A 37 11.162 -2.001 -11.748 1.00 0.00 O ATOM 0 H ASP A 37 9.383 -0.332 -9.957 1.00 0.00 H new ATOM 0 HA ASP A 37 7.761 -2.610 -9.772 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.757 -2.307 -9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.920 -3.805 -9.677 1.00 0.00 H new ATOM 526 N ARG A 38 8.711 -1.459 -6.892 1.00 0.00 N ATOM 527 CA ARG A 38 8.515 -1.560 -5.448 1.00 0.00 C ATOM 528 C ARG A 38 7.278 -0.789 -4.977 1.00 0.00 C ATOM 529 O ARG A 38 7.092 -0.619 -3.773 1.00 0.00 O ATOM 530 CB ARG A 38 9.774 -1.071 -4.721 1.00 0.00 C ATOM 531 CG ARG A 38 10.964 -1.976 -5.019 1.00 0.00 C ATOM 532 CD ARG A 38 12.278 -1.445 -4.474 1.00 0.00 C ATOM 533 NE ARG A 38 12.422 -1.454 -3.015 1.00 0.00 N ATOM 534 CZ ARG A 38 13.480 -0.898 -2.407 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.350 -0.160 -3.095 1.00 0.00 N ATOM 536 NH2 ARG A 38 13.658 -1.100 -1.109 1.00 0.00 N ATOM 0 H ARG A 38 9.030 -0.535 -7.182 1.00 0.00 H new ATOM 0 HA ARG A 38 8.342 -2.608 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.003 -0.051 -5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.591 -1.047 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.776 -2.962 -4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.052 -2.104 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.090 -2.033 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.406 -0.421 -4.825 1.00 0.00 H new ATOM 0 HE ARG A 38 11.698 -1.895 -2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.215 -0.013 -4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.151 0.258 -2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.995 -1.672 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.458 -0.683 -0.633 1.00 0.00 H new ATOM 550 N ALA A 39 6.443 -0.295 -5.891 1.00 0.00 N ATOM 551 CA ALA A 39 5.273 0.513 -5.594 1.00 0.00 C ATOM 552 C ALA A 39 4.074 -0.119 -6.297 1.00 0.00 C ATOM 553 O ALA A 39 3.791 0.160 -7.462 1.00 0.00 O ATOM 554 CB ALA A 39 5.534 1.961 -6.022 1.00 0.00 C ATOM 0 H ALA A 39 6.572 -0.455 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 39 5.057 0.542 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.657 2.570 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.394 2.352 -5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.737 1.993 -7.093 1.00 0.00 H new ATOM 560 N PHE A 40 3.404 -1.035 -5.603 1.00 0.00 N ATOM 561 CA PHE A 40 2.337 -1.844 -6.175 1.00 0.00 C ATOM 562 C PHE A 40 0.989 -1.193 -5.907 1.00 0.00 C ATOM 563 O PHE A 40 0.738 -0.800 -4.769 1.00 0.00 O ATOM 564 CB PHE A 40 2.402 -3.240 -5.552 1.00 0.00 C ATOM 565 CG PHE A 40 3.178 -4.230 -6.393 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.253 -3.831 -7.209 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.763 -5.568 -6.396 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.865 -4.770 -8.050 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.358 -6.516 -7.246 1.00 0.00 C ATOM 570 CZ PHE A 40 4.410 -6.100 -8.073 1.00 0.00 C ATOM 0 H PHE A 40 3.589 -1.237 -4.620 1.00 0.00 H new ATOM 0 HA PHE A 40 2.460 -1.923 -7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.862 -3.170 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.389 -3.613 -5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.603 -2.810 -7.187 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.970 -5.877 -5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.688 -4.471 -8.682 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.013 -7.539 -7.261 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.878 -6.811 -8.738 1.00 0.00 H new ATOM 580 N TYR A 41 0.113 -1.085 -6.912 1.00 0.00 N ATOM 581 CA TYR A 41 -1.246 -0.600 -6.694 1.00 0.00 C ATOM 582 C TYR A 41 -2.329 -1.333 -7.488 1.00 0.00 C ATOM 583 O TYR A 41 -2.084 -1.995 -8.501 1.00 0.00 O ATOM 584 CB TYR A 41 -1.308 0.908 -6.912 1.00 0.00 C ATOM 585 CG TYR A 41 -1.315 1.337 -8.363 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.118 1.417 -9.100 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.539 1.652 -8.977 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.150 1.812 -10.449 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.573 2.088 -10.309 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.379 2.148 -11.062 1.00 0.00 C ATOM 591 OH TYR A 41 -1.434 2.542 -12.364 1.00 0.00 O ATOM 0 H TYR A 41 0.324 -1.327 -7.880 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.480 -0.827 -5.654 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.205 1.295 -6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.454 1.369 -6.415 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.824 1.175 -8.630 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.459 1.558 -8.419 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.766 1.859 -11.018 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.511 2.378 -10.759 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.364 2.730 -12.610 1.00 0.00 H new ATOM 601 N GLY A 42 -3.566 -1.176 -7.019 1.00 0.00 N ATOM 602 CA GLY A 42 -4.705 -1.963 -7.452 1.00 0.00 C ATOM 603 C GLY A 42 -4.613 -3.359 -6.851 1.00 0.00 C ATOM 604 O GLY A 42 -3.539 -3.962 -6.820 1.00 0.00 O ATOM 0 H GLY A 42 -3.803 -0.481 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.633 -1.482 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.726 -2.024 -8.540 1.00 0.00 H new ATOM 608 N LEU A 43 -5.757 -3.867 -6.385 1.00 0.00 N ATOM 609 CA LEU A 43 -5.919 -5.107 -5.629 1.00 0.00 C ATOM 610 C LEU A 43 -4.983 -6.219 -6.104 1.00 0.00 C ATOM 611 O LEU A 43 -4.230 -6.759 -5.301 1.00 0.00 O ATOM 612 CB LEU A 43 -7.398 -5.528 -5.708 1.00 0.00 C ATOM 613 CG LEU A 43 -7.746 -6.883 -5.062 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.463 -6.926 -3.557 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.232 -7.184 -5.286 1.00 0.00 C ATOM 0 H LEU A 43 -6.648 -3.393 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.639 -4.928 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.002 -4.755 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.691 -5.561 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.109 -7.629 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.730 -7.907 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.403 -6.741 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.054 -6.161 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.482 -8.142 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.835 -6.398 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.437 -7.226 -6.356 1.00 0.00 H new ATOM 627 N LYS A 44 -4.995 -6.543 -7.400 1.00 0.00 N ATOM 628 CA LYS A 44 -4.264 -7.636 -7.976 1.00 0.00 C ATOM 629 C LYS A 44 -2.763 -7.475 -7.738 1.00 0.00 C ATOM 630 O LYS A 44 -2.137 -8.457 -7.346 1.00 0.00 O ATOM 631 CB LYS A 44 -4.681 -7.688 -9.443 1.00 0.00 C ATOM 632 CG LYS A 44 -3.734 -8.530 -10.269 1.00 0.00 C ATOM 633 CD LYS A 44 -3.842 -10.060 -10.129 1.00 0.00 C ATOM 634 CE LYS A 44 -3.228 -10.649 -8.850 1.00 0.00 C ATOM 635 NZ LYS A 44 -3.429 -12.104 -8.752 1.00 0.00 N ATOM 0 H LYS A 44 -5.539 -6.022 -8.088 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.494 -8.594 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.689 -8.095 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.714 -6.676 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.885 -8.276 -11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.715 -8.239 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.895 -10.338 -10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.359 -10.522 -10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.161 -10.430 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.671 -10.164 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.998 -12.456 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.448 -12.314 -8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.984 -12.572 -9.567 1.00 0.00 H new ATOM 649 N GLN A 45 -2.171 -6.307 -8.024 1.00 0.00 N ATOM 650 CA GLN A 45 -0.733 -6.138 -7.850 1.00 0.00 C ATOM 651 C GLN A 45 -0.406 -6.479 -6.400 1.00 0.00 C ATOM 652 O GLN A 45 0.359 -7.389 -6.112 1.00 0.00 O ATOM 653 CB GLN A 45 -0.256 -4.713 -8.174 1.00 0.00 C ATOM 654 CG GLN A 45 -0.280 -4.349 -9.665 1.00 0.00 C ATOM 655 CD GLN A 45 0.429 -3.019 -9.962 1.00 0.00 C ATOM 656 OE1 GLN A 45 1.235 -2.531 -9.176 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.143 -2.391 -11.091 1.00 0.00 N ATOM 0 H GLN A 45 -2.661 -5.482 -8.371 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.215 -6.797 -8.547 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.881 -4.004 -7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.761 -4.592 -7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.196 -5.145 -10.237 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.314 -4.288 -10.003 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.527 -2.796 -11.745 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.593 -1.501 -11.308 1.00 0.00 H new ATOM 666 N VAL A 46 -1.015 -5.767 -5.466 1.00 0.00 N ATOM 667 CA VAL A 46 -0.845 -5.967 -4.041 1.00 0.00 C ATOM 668 C VAL A 46 -0.995 -7.445 -3.636 1.00 0.00 C ATOM 669 O VAL A 46 -0.151 -7.944 -2.897 1.00 0.00 O ATOM 670 CB VAL A 46 -1.809 -5.047 -3.279 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.385 -5.035 -1.817 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.818 -3.598 -3.784 1.00 0.00 C ATOM 0 H VAL A 46 -1.662 -5.010 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 46 0.176 -5.698 -3.770 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.814 -5.441 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.054 -4.388 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.433 -6.047 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.364 -4.661 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.524 -3.012 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.820 -3.172 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.117 -3.580 -4.832 1.00 0.00 H new ATOM 682 N GLU A 47 -2.000 -8.174 -4.124 1.00 0.00 N ATOM 683 CA GLU A 47 -2.128 -9.606 -3.850 1.00 0.00 C ATOM 684 C GLU A 47 -0.883 -10.377 -4.324 1.00 0.00 C ATOM 685 O GLU A 47 -0.379 -11.248 -3.618 1.00 0.00 O ATOM 686 CB GLU A 47 -3.384 -10.169 -4.530 1.00 0.00 C ATOM 687 CG GLU A 47 -4.700 -9.807 -3.833 1.00 0.00 C ATOM 688 CD GLU A 47 -5.850 -10.587 -4.480 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.055 -11.775 -4.144 1.00 0.00 O ATOM 690 OE2 GLU A 47 -6.519 -10.067 -5.404 1.00 0.00 O ATOM 0 H GLU A 47 -2.740 -7.794 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.218 -9.733 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.420 -9.806 -5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.300 -11.255 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.638 -10.043 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.883 -8.735 -3.912 1.00 0.00 H new ATOM 697 N LYS A 48 -0.337 -10.028 -5.491 1.00 0.00 N ATOM 698 CA LYS A 48 0.846 -10.661 -6.079 1.00 0.00 C ATOM 699 C LYS A 48 2.071 -10.367 -5.214 1.00 0.00 C ATOM 700 O LYS A 48 2.940 -11.220 -5.059 1.00 0.00 O ATOM 701 CB LYS A 48 1.000 -10.153 -7.529 1.00 0.00 C ATOM 702 CG LYS A 48 2.384 -10.322 -8.163 1.00 0.00 C ATOM 703 CD LYS A 48 2.647 -11.751 -8.636 1.00 0.00 C ATOM 704 CE LYS A 48 3.835 -12.461 -7.970 1.00 0.00 C ATOM 705 NZ LYS A 48 3.969 -13.851 -8.466 1.00 0.00 N ATOM 0 H LYS A 48 -0.715 -9.277 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 48 0.739 -11.745 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.272 -10.672 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.741 -9.095 -7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.477 -9.641 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.148 -10.037 -7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.749 -12.343 -8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.814 -11.733 -9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.753 -11.909 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.699 -12.469 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.779 -14.309 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.101 -14.381 -8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.122 -13.839 -9.495 1.00 0.00 H new ATOM 719 N ALA A 49 2.161 -9.161 -4.667 1.00 0.00 N ATOM 720 CA ALA A 49 3.209 -8.789 -3.732 1.00 0.00 C ATOM 721 C ALA A 49 3.061 -9.476 -2.378 1.00 0.00 C ATOM 722 O ALA A 49 4.074 -9.794 -1.750 1.00 0.00 O ATOM 723 CB ALA A 49 3.197 -7.287 -3.520 1.00 0.00 C ATOM 0 H ALA A 49 1.501 -8.408 -4.864 1.00 0.00 H new ATOM 0 HA ALA A 49 4.153 -9.113 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.984 -7.012 -2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.367 -6.784 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.230 -6.984 -3.118 1.00 0.00 H new ATOM 729 N ASN A 50 1.835 -9.697 -1.898 1.00 0.00 N ATOM 730 CA ASN A 50 1.630 -10.475 -0.682 1.00 0.00 C ATOM 731 C ASN A 50 2.127 -11.903 -0.925 1.00 0.00 C ATOM 732 O ASN A 50 2.834 -12.447 -0.087 1.00 0.00 O ATOM 733 CB ASN A 50 0.165 -10.447 -0.228 1.00 0.00 C ATOM 734 CG ASN A 50 -0.019 -11.255 1.046 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.219 -12.466 1.013 1.00 0.00 O ATOM 736 ND2 ASN A 50 0.066 -10.611 2.194 1.00 0.00 N ATOM 0 H ASN A 50 0.979 -9.350 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 50 2.202 -10.030 0.132 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.149 -9.417 -0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.472 -10.850 -1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.035 -11.119 3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.233 -9.605 2.203 1.00 0.00 H new ATOM 743 N GLU A 51 1.894 -12.449 -2.122 1.00 0.00 N ATOM 744 CA GLU A 51 2.429 -13.730 -2.599 1.00 0.00 C ATOM 745 C GLU A 51 3.952 -13.752 -2.813 1.00 0.00 C ATOM 746 O GLU A 51 4.522 -14.790 -3.156 1.00 0.00 O ATOM 747 CB GLU A 51 1.720 -14.102 -3.908 1.00 0.00 C ATOM 748 CG GLU A 51 0.284 -14.529 -3.629 1.00 0.00 C ATOM 749 CD GLU A 51 -0.357 -15.185 -4.857 1.00 0.00 C ATOM 750 OE1 GLU A 51 0.148 -16.227 -5.337 1.00 0.00 O ATOM 751 OE2 GLU A 51 -1.303 -14.622 -5.457 1.00 0.00 O ATOM 0 H GLU A 51 1.302 -11.992 -2.816 1.00 0.00 H new ATOM 0 HA GLU A 51 2.236 -14.458 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.728 -13.250 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.257 -14.911 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.267 -15.227 -2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.303 -13.660 -3.331 1.00 0.00 H new ATOM 758 N ALA A 52 4.609 -12.616 -2.622 1.00 0.00 N ATOM 759 CA ALA A 52 6.066 -12.457 -2.590 1.00 0.00 C ATOM 760 C ALA A 52 6.583 -12.170 -1.174 1.00 0.00 C ATOM 761 O ALA A 52 7.795 -12.107 -0.968 1.00 0.00 O ATOM 762 CB ALA A 52 6.492 -11.349 -3.564 1.00 0.00 C ATOM 0 H ALA A 52 4.120 -11.733 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 52 6.513 -13.400 -2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.576 -11.236 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.181 -11.614 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.022 -10.409 -3.274 1.00 0.00 H new ATOM 768 N MET A 53 5.682 -11.985 -0.200 1.00 0.00 N ATOM 769 CA MET A 53 5.942 -11.533 1.171 1.00 0.00 C ATOM 770 C MET A 53 6.519 -10.111 1.224 1.00 0.00 C ATOM 771 O MET A 53 6.870 -9.626 2.297 1.00 0.00 O ATOM 772 CB MET A 53 6.852 -12.518 1.931 1.00 0.00 C ATOM 773 CG MET A 53 6.446 -13.990 1.789 1.00 0.00 C ATOM 774 SD MET A 53 5.077 -14.456 2.863 1.00 0.00 S ATOM 775 CE MET A 53 4.003 -15.263 1.658 1.00 0.00 C ATOM 0 H MET A 53 4.690 -12.158 -0.360 1.00 0.00 H new ATOM 0 HA MET A 53 4.974 -11.507 1.671 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.875 -12.399 1.574 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.851 -12.253 2.988 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.169 -14.185 0.753 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.306 -14.621 2.013 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.030 -15.457 2.110 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.877 -14.615 0.791 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.452 -16.205 1.344 1.00 0.00 H new ATOM 785 N ALA A 54 6.630 -9.425 0.084 1.00 0.00 N ATOM 786 CA ALA A 54 7.444 -8.226 -0.061 1.00 0.00 C ATOM 787 C ALA A 54 6.788 -6.988 0.525 1.00 0.00 C ATOM 788 O ALA A 54 7.446 -5.954 0.563 1.00 0.00 O ATOM 789 CB ALA A 54 7.694 -7.980 -1.556 1.00 0.00 C ATOM 0 H ALA A 54 6.148 -9.694 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 54 8.371 -8.396 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.303 -7.085 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.216 -8.836 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.741 -7.845 -2.067 1.00 0.00 H new ATOM 795 N ILE A 55 5.514 -7.039 0.909 1.00 0.00 N ATOM 796 CA ILE A 55 4.812 -5.867 1.401 1.00 0.00 C ATOM 797 C ILE A 55 5.413 -5.505 2.753 1.00 0.00 C ATOM 798 O ILE A 55 5.334 -6.282 3.710 1.00 0.00 O ATOM 799 CB ILE A 55 3.288 -6.101 1.419 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.838 -6.179 -0.050 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.583 -4.980 2.206 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.361 -6.460 -0.285 1.00 0.00 C ATOM 0 H ILE A 55 4.948 -7.888 0.887 1.00 0.00 H new ATOM 0 HA ILE A 55 4.943 -5.013 0.737 1.00 0.00 H new ATOM 0 HB ILE A 55 3.022 -7.027 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.089 -5.236 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.418 -6.958 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.508 -5.159 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.953 -4.967 3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.789 -4.019 1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.163 -6.492 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.097 -7.419 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.763 -5.671 0.171 1.00 0.00 H new ATOM 814 N ASP A 56 6.029 -4.328 2.796 1.00 0.00 N ATOM 815 CA ASP A 56 6.389 -3.666 4.036 1.00 0.00 C ATOM 816 C ASP A 56 5.139 -2.979 4.571 1.00 0.00 C ATOM 817 O ASP A 56 4.617 -3.391 5.596 1.00 0.00 O ATOM 818 CB ASP A 56 7.516 -2.657 3.822 1.00 0.00 C ATOM 819 CG ASP A 56 7.689 -1.798 5.069 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.171 -2.313 6.104 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.328 -0.601 5.007 1.00 0.00 O ATOM 0 H ASP A 56 6.293 -3.805 1.961 1.00 0.00 H new ATOM 0 HA ASP A 56 6.759 -4.398 4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.446 -3.180 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.291 -2.025 2.963 1.00 0.00 H new ATOM 826 N THR A 57 4.612 -1.978 3.866 1.00 0.00 N ATOM 827 CA THR A 57 3.491 -1.177 4.336 1.00 0.00 C ATOM 828 C THR A 57 2.396 -1.204 3.274 1.00 0.00 C ATOM 829 O THR A 57 2.668 -0.982 2.098 1.00 0.00 O ATOM 830 CB THR A 57 3.985 0.243 4.670 1.00 0.00 C ATOM 831 OG1 THR A 57 4.922 0.200 5.726 1.00 0.00 O ATOM 832 CG2 THR A 57 2.855 1.151 5.162 1.00 0.00 C ATOM 0 H THR A 57 4.956 -1.701 2.947 1.00 0.00 H new ATOM 0 HA THR A 57 3.064 -1.582 5.254 1.00 0.00 H new ATOM 0 HB THR A 57 4.414 0.632 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.689 -0.349 5.461 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.254 2.141 5.384 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.091 1.233 4.389 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.414 0.727 6.064 1.00 0.00 H new ATOM 840 N LEU A 58 1.156 -1.451 3.696 1.00 0.00 N ATOM 841 CA LEU A 58 -0.042 -1.511 2.866 1.00 0.00 C ATOM 842 C LEU A 58 -0.883 -0.291 3.205 1.00 0.00 C ATOM 843 O LEU A 58 -1.104 -0.016 4.383 1.00 0.00 O ATOM 844 CB LEU A 58 -0.811 -2.795 3.213 1.00 0.00 C ATOM 845 CG LEU A 58 -2.240 -2.883 2.636 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.246 -3.324 1.175 1.00 0.00 C ATOM 847 CD2 LEU A 58 -3.041 -3.903 3.433 1.00 0.00 C ATOM 0 H LEU A 58 0.952 -1.624 4.680 1.00 0.00 H new ATOM 0 HA LEU A 58 0.201 -1.519 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.238 -3.650 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.869 -2.883 4.298 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.677 -1.887 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.273 -3.371 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.683 -2.608 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.786 -4.308 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.051 -3.968 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.559 -4.878 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.087 -3.594 4.477 1.00 0.00 H new ATOM 859 N LEU A 59 -1.367 0.415 2.184 1.00 0.00 N ATOM 860 CA LEU A 59 -2.201 1.599 2.292 1.00 0.00 C ATOM 861 C LEU A 59 -3.514 1.284 1.585 1.00 0.00 C ATOM 862 O LEU A 59 -3.492 0.969 0.395 1.00 0.00 O ATOM 863 CB LEU A 59 -1.539 2.867 1.702 1.00 0.00 C ATOM 864 CG LEU A 59 -0.200 2.788 0.974 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.100 4.115 0.239 1.00 0.00 C ATOM 866 CD2 LEU A 59 1.019 2.515 1.851 1.00 0.00 C ATOM 0 H LEU A 59 -1.176 0.160 1.215 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.362 1.831 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.255 3.307 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.415 3.574 2.522 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.334 1.938 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.059 4.038 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.686 4.313 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.139 4.930 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.914 2.480 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.121 3.310 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.894 1.560 2.361 1.00 0.00 H new ATOM 878 N ILE A 60 -4.650 1.356 2.282 1.00 0.00 N ATOM 879 CA ILE A 60 -5.937 1.117 1.646 1.00 0.00 C ATOM 880 C ILE A 60 -6.952 2.094 2.224 1.00 0.00 C ATOM 881 O ILE A 60 -6.909 2.402 3.422 1.00 0.00 O ATOM 882 CB ILE A 60 -6.321 -0.364 1.824 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.532 -0.683 0.947 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.632 -0.782 3.269 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.785 -2.179 0.842 1.00 0.00 C ATOM 0 H ILE A 60 -4.700 1.576 3.277 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.901 1.296 0.571 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.440 -0.932 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.415 -0.194 1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.375 -0.272 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.892 -1.840 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.756 -0.608 3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.469 -0.194 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.655 -2.357 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.913 -2.666 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.969 -2.587 1.836 1.00 0.00 H new ATOM 897 N SER A 61 -7.881 2.546 1.391 1.00 0.00 N ATOM 898 CA SER A 61 -8.972 3.413 1.795 1.00 0.00 C ATOM 899 C SER A 61 -9.888 2.666 2.764 1.00 0.00 C ATOM 900 O SER A 61 -10.112 1.456 2.620 1.00 0.00 O ATOM 901 CB SER A 61 -9.696 3.893 0.526 1.00 0.00 C ATOM 902 OG SER A 61 -10.151 5.222 0.711 1.00 0.00 O ATOM 0 H SER A 61 -7.894 2.314 0.398 1.00 0.00 H new ATOM 0 HA SER A 61 -8.611 4.292 2.328 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.022 3.845 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.538 3.237 0.306 1.00 0.00 H new ATOM 0 HG SER A 61 -10.581 5.538 -0.111 1.00 0.00 H new ATOM 908 N ASP A 62 -10.409 3.361 3.777 1.00 0.00 N ATOM 909 CA ASP A 62 -11.367 2.783 4.710 1.00 0.00 C ATOM 910 C ASP A 62 -12.582 2.308 3.936 1.00 0.00 C ATOM 911 O ASP A 62 -13.019 1.188 4.136 1.00 0.00 O ATOM 912 CB ASP A 62 -11.757 3.711 5.869 1.00 0.00 C ATOM 913 CG ASP A 62 -12.678 4.881 5.478 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.259 5.791 4.736 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.849 4.888 5.938 1.00 0.00 O ATOM 0 H ASP A 62 -10.178 4.336 3.970 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.879 1.938 5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.252 3.119 6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.848 4.116 6.313 1.00 0.00 H new ATOM 920 N GLU A 63 -13.063 3.080 2.972 1.00 0.00 N ATOM 921 CA GLU A 63 -14.199 2.702 2.135 1.00 0.00 C ATOM 922 C GLU A 63 -14.061 1.320 1.478 1.00 0.00 C ATOM 923 O GLU A 63 -15.059 0.616 1.342 1.00 0.00 O ATOM 924 CB GLU A 63 -14.419 3.799 1.090 1.00 0.00 C ATOM 925 CG GLU A 63 -13.252 3.990 0.125 1.00 0.00 C ATOM 926 CD GLU A 63 -13.177 5.376 -0.512 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.140 6.178 -0.433 1.00 0.00 O ATOM 928 OE2 GLU A 63 -12.069 5.722 -0.973 1.00 0.00 O ATOM 0 H GLU A 63 -12.674 3.995 2.745 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.071 2.611 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.315 3.563 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.608 4.741 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.321 3.798 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.325 3.244 -0.666 1.00 0.00 H new ATOM 935 N LEU A 64 -12.845 0.893 1.119 1.00 0.00 N ATOM 936 CA LEU A 64 -12.610 -0.447 0.588 1.00 0.00 C ATOM 937 C LEU A 64 -12.600 -1.470 1.726 1.00 0.00 C ATOM 938 O LEU A 64 -13.220 -2.532 1.631 1.00 0.00 O ATOM 939 CB LEU A 64 -11.288 -0.487 -0.190 1.00 0.00 C ATOM 940 CG LEU A 64 -11.216 0.456 -1.405 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.906 0.191 -2.144 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.383 0.298 -2.386 1.00 0.00 C ATOM 0 H LEU A 64 -12.004 1.465 1.189 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.418 -0.702 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.475 -0.238 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.116 -1.508 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.273 1.475 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.836 0.850 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.066 0.380 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.879 -0.847 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.260 0.996 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.399 -0.722 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.321 0.507 -1.872 1.00 0.00 H new ATOM 954 N PHE A 65 -11.939 -1.135 2.835 1.00 0.00 N ATOM 955 CA PHE A 65 -11.965 -1.896 4.076 1.00 0.00 C ATOM 956 C PHE A 65 -13.389 -2.160 4.610 1.00 0.00 C ATOM 957 O PHE A 65 -13.590 -3.134 5.343 1.00 0.00 O ATOM 958 CB PHE A 65 -11.111 -1.107 5.080 1.00 0.00 C ATOM 959 CG PHE A 65 -10.618 -1.839 6.298 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.885 -3.026 6.143 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.778 -1.262 7.573 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.398 -3.696 7.275 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.265 -1.924 8.703 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.594 -3.148 8.554 1.00 0.00 C ATOM 0 H PHE A 65 -11.355 -0.301 2.892 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.562 -2.895 3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.244 -0.715 4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.693 -0.249 5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.697 -3.422 5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.291 -0.318 7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.872 -4.633 7.164 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.387 -1.491 9.685 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.227 -3.670 9.425 1.00 0.00 H new ATOM 974 N ARG A 66 -14.390 -1.342 4.251 1.00 0.00 N ATOM 975 CA ARG A 66 -15.783 -1.437 4.711 1.00 0.00 C ATOM 976 C ARG A 66 -16.764 -1.443 3.525 1.00 0.00 C ATOM 977 O ARG A 66 -17.917 -1.029 3.679 1.00 0.00 O ATOM 978 CB ARG A 66 -16.095 -0.426 5.846 1.00 0.00 C ATOM 979 CG ARG A 66 -14.975 0.563 6.212 1.00 0.00 C ATOM 980 CD ARG A 66 -15.223 1.389 7.466 1.00 0.00 C ATOM 981 NE ARG A 66 -14.698 0.734 8.682 1.00 0.00 N ATOM 982 CZ ARG A 66 -15.383 -0.023 9.544 1.00 0.00 C ATOM 983 NH1 ARG A 66 -16.650 -0.331 9.319 1.00 0.00 N ATOM 984 NH2 ARG A 66 -14.784 -0.487 10.634 1.00 0.00 N ATOM 0 H ARG A 66 -14.245 -0.565 3.606 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.931 -2.405 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.976 0.148 5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.359 -0.989 6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.048 0.005 6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.824 1.242 5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.756 2.367 7.352 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.294 1.559 7.581 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.708 0.875 8.885 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.116 0.010 8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.160 -0.910 9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.804 -0.265 10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.304 -1.065 11.294 1.00 0.00 H new ATOM 998 N HIS A 67 -16.306 -1.919 2.360 1.00 0.00 N ATOM 999 CA HIS A 67 -17.035 -1.896 1.091 1.00 0.00 C ATOM 1000 C HIS A 67 -18.418 -2.548 1.192 1.00 0.00 C ATOM 1001 O HIS A 67 -18.602 -3.498 1.959 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.183 -2.587 0.015 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.636 -2.382 -1.406 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.693 -3.043 -2.026 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -16.012 -1.593 -2.322 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.716 -2.602 -3.294 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.716 -1.726 -3.496 1.00 0.00 N ATOM 0 H HIS A 67 -15.383 -2.346 2.275 1.00 0.00 H new ATOM 0 HA HIS A 67 -17.210 -0.855 0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.157 -2.230 0.105 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.168 -3.657 0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.136 -0.982 -2.159 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.433 -2.906 -4.042 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.514 -1.242 -4.371 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.364 -2.059 0.387 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.750 -2.512 0.290 1.00 0.00 C ATOM 1017 C GLN A 68 -20.912 -3.996 -0.085 1.00 0.00 C ATOM 1018 O GLN A 68 -21.959 -4.585 0.199 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.492 -1.639 -0.747 1.00 0.00 C ATOM 1020 CG GLN A 68 -20.871 -1.688 -2.162 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.832 -1.286 -3.274 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -22.955 -1.782 -3.366 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -21.399 -0.480 -4.225 1.00 0.00 N ATOM 0 H GLN A 68 -19.169 -1.289 -0.253 1.00 0.00 H new ATOM 0 HA GLN A 68 -21.177 -2.407 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.531 -1.964 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.500 -0.606 -0.399 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.003 -1.029 -2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.511 -2.698 -2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.470 -0.064 -4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.993 -0.273 -5.028 1.00 0.00 H new ATOM 1032 N ASP A 69 -19.947 -4.591 -0.784 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.003 -5.940 -1.338 1.00 0.00 C ATOM 1034 C ASP A 69 -19.123 -6.806 -0.457 1.00 0.00 C ATOM 1035 O ASP A 69 -17.911 -6.593 -0.395 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.549 -5.932 -2.809 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.383 -7.315 -3.463 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -19.178 -8.345 -2.783 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -19.454 -7.381 -4.711 1.00 0.00 O ATOM 0 H ASP A 69 -19.064 -4.123 -0.988 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.018 -6.338 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.272 -5.360 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.598 -5.403 -2.874 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.729 -7.766 0.246 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.049 -8.606 1.222 1.00 0.00 C ATOM 1046 C VAL A 70 -17.818 -9.267 0.618 1.00 0.00 C ATOM 1047 O VAL A 70 -16.814 -9.335 1.316 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.035 -9.639 1.807 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.370 -10.687 2.708 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.067 -8.901 2.659 1.00 0.00 C ATOM 0 H VAL A 70 -20.721 -7.981 0.148 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.695 -7.979 2.041 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.476 -10.160 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.126 -11.378 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.625 -11.239 2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.886 -10.190 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.772 -9.618 3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.561 -8.373 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.606 -8.185 2.039 1.00 0.00 H new ATOM 1060 N ALA A 71 -17.852 -9.725 -0.635 1.00 0.00 N ATOM 1061 CA ALA A 71 -16.716 -10.396 -1.259 1.00 0.00 C ATOM 1062 C ALA A 71 -15.615 -9.408 -1.658 1.00 0.00 C ATOM 1063 O ALA A 71 -14.424 -9.704 -1.571 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.189 -11.178 -2.479 1.00 0.00 C ATOM 0 H ALA A 71 -18.667 -9.640 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.288 -11.080 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.339 -11.678 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -17.924 -11.922 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.643 -10.494 -3.196 1.00 0.00 H new ATOM 1070 N THR A 72 -15.997 -8.206 -2.078 1.00 0.00 N ATOM 1071 CA THR A 72 -15.052 -7.138 -2.401 1.00 0.00 C ATOM 1072 C THR A 72 -14.348 -6.728 -1.121 1.00 0.00 C ATOM 1073 O THR A 72 -13.121 -6.773 -1.039 1.00 0.00 O ATOM 1074 CB THR A 72 -15.796 -5.957 -3.041 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.360 -6.388 -4.260 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.873 -4.772 -3.302 1.00 0.00 C ATOM 0 H THR A 72 -16.974 -7.942 -2.205 1.00 0.00 H new ATOM 0 HA THR A 72 -14.310 -7.482 -3.122 1.00 0.00 H new ATOM 0 HB THR A 72 -16.569 -5.624 -2.348 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.840 -5.644 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.442 -3.960 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.443 -4.432 -2.360 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.073 -5.076 -3.978 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.129 -6.397 -0.094 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.617 -6.120 1.224 1.00 0.00 C ATOM 1086 C ARG A 73 -13.731 -7.275 1.671 1.00 0.00 C ATOM 1087 O ARG A 73 -12.605 -7.030 2.089 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.792 -5.898 2.180 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.263 -5.317 3.485 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.387 -5.236 4.512 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.864 -4.792 5.808 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.530 -4.827 6.963 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.697 -5.449 7.051 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -16.029 -4.225 8.030 1.00 0.00 N ATOM 0 H ARG A 73 -16.143 -6.316 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.009 -5.215 1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.519 -5.220 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.308 -6.840 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.453 -5.938 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.847 -4.325 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.155 -4.544 4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.862 -6.211 4.619 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.912 -4.426 5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.094 -5.907 6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.198 -5.470 7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.136 -3.736 7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.536 -4.250 8.915 1.00 0.00 H new ATOM 1108 N SER A 74 -14.210 -8.519 1.577 1.00 0.00 N ATOM 1109 CA SER A 74 -13.478 -9.664 2.085 1.00 0.00 C ATOM 1110 C SER A 74 -12.094 -9.762 1.463 1.00 0.00 C ATOM 1111 O SER A 74 -11.152 -10.098 2.167 1.00 0.00 O ATOM 1112 CB SER A 74 -14.266 -10.970 1.980 1.00 0.00 C ATOM 1113 OG SER A 74 -14.301 -11.597 0.715 1.00 0.00 O ATOM 0 H SER A 74 -15.107 -8.751 1.150 1.00 0.00 H new ATOM 0 HA SER A 74 -13.336 -9.497 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.848 -11.677 2.697 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.292 -10.772 2.289 1.00 0.00 H new ATOM 0 HG SER A 74 -14.262 -10.916 0.011 1.00 0.00 H new ATOM 1119 N ARG A 75 -11.938 -9.429 0.181 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.635 -9.453 -0.475 1.00 0.00 C ATOM 1121 C ARG A 75 -9.696 -8.491 0.219 1.00 0.00 C ATOM 1122 O ARG A 75 -8.596 -8.887 0.609 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.764 -9.066 -1.955 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.246 -10.216 -2.843 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.008 -9.659 -4.045 1.00 0.00 C ATOM 1126 NE ARG A 75 -11.741 -10.410 -5.281 1.00 0.00 N ATOM 1127 CZ ARG A 75 -12.381 -10.246 -6.442 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -13.485 -9.515 -6.527 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -11.921 -10.826 -7.543 1.00 0.00 N ATOM 0 H ARG A 75 -12.705 -9.138 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.236 -10.465 -0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.459 -8.231 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.797 -8.717 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.395 -10.807 -3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.890 -10.884 -2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.077 -9.681 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.734 -8.614 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.005 -11.116 -5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.863 -9.063 -5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.956 -9.405 -7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.077 -11.398 -7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.411 -10.700 -8.429 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.126 -7.237 0.353 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.341 -6.203 0.986 1.00 0.00 C ATOM 1145 C TYR A 76 -8.988 -6.553 2.420 1.00 0.00 C ATOM 1146 O TYR A 76 -7.808 -6.506 2.758 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.099 -4.881 0.924 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.317 -4.394 -0.490 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.228 -4.255 -1.375 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.615 -4.079 -0.916 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.431 -3.788 -2.683 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.818 -3.611 -2.222 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.736 -3.471 -3.117 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.960 -3.032 -4.387 1.00 0.00 O ATOM 0 H TYR A 76 -11.036 -6.918 0.020 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.400 -6.110 0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.065 -4.998 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.547 -4.125 1.482 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.232 -4.509 -1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.452 -4.196 -0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.593 -3.672 -3.354 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.815 -3.354 -2.547 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.917 -2.863 -4.511 1.00 0.00 H new ATOM 1164 N VAL A 77 -9.958 -6.883 3.274 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.682 -7.139 4.690 1.00 0.00 C ATOM 1166 C VAL A 77 -8.770 -8.357 4.845 1.00 0.00 C ATOM 1167 O VAL A 77 -7.907 -8.365 5.723 1.00 0.00 O ATOM 1168 CB VAL A 77 -10.973 -7.292 5.519 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -11.930 -6.123 5.271 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.693 -8.610 5.226 1.00 0.00 C ATOM 0 H VAL A 77 -10.939 -6.979 3.012 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.162 -6.267 5.086 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.670 -7.294 6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.832 -6.258 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.444 -5.189 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.197 -6.089 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.596 -8.674 5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.961 -8.651 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.035 -9.445 5.466 1.00 0.00 H new ATOM 1180 N ARG A 78 -8.937 -9.372 3.989 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.084 -10.544 3.993 1.00 0.00 C ATOM 1182 C ARG A 78 -6.664 -10.132 3.695 1.00 0.00 C ATOM 1183 O ARG A 78 -5.795 -10.346 4.524 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.591 -11.574 2.979 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.651 -12.457 3.644 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.731 -13.768 2.892 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.909 -14.558 3.269 1.00 0.00 N ATOM 1188 CZ ARG A 78 -11.009 -15.867 3.034 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -10.017 -16.514 2.436 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -12.097 -16.524 3.412 1.00 0.00 N ATOM 0 H ARG A 78 -9.669 -9.395 3.279 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.109 -11.011 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.014 -11.069 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.764 -12.186 2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.394 -12.635 4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.619 -11.957 3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.758 -13.568 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.830 -14.350 3.085 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.686 -14.085 3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.176 -16.010 2.155 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.096 -17.515 2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.855 -16.028 3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.176 -17.525 3.233 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.454 -9.461 2.568 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.158 -8.939 2.178 1.00 0.00 C ATOM 1206 C LEU A 79 -4.564 -8.039 3.275 1.00 0.00 C ATOM 1207 O LEU A 79 -3.379 -8.150 3.561 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.352 -8.236 0.830 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.109 -7.522 0.279 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -2.926 -8.466 0.047 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.519 -6.888 -1.050 1.00 0.00 C ATOM 0 H LEU A 79 -7.193 -9.264 1.893 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.421 -9.734 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.682 -8.973 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.155 -7.506 0.931 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.772 -6.786 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.080 -7.900 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.645 -8.936 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.210 -9.235 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.665 -6.366 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.855 -7.666 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.329 -6.179 -0.880 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.369 -7.183 3.918 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.954 -6.374 5.068 1.00 0.00 C ATOM 1225 C VAL A 80 -4.379 -7.262 6.175 1.00 0.00 C ATOM 1226 O VAL A 80 -3.314 -6.966 6.707 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.103 -5.475 5.585 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.827 -4.868 6.965 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.374 -4.309 4.636 1.00 0.00 C ATOM 0 H VAL A 80 -6.341 -7.032 3.649 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.162 -5.703 4.736 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.962 -6.142 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.673 -4.250 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.685 -5.667 7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.927 -4.255 6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.187 -3.700 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.475 -3.699 4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.654 -4.695 3.656 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.099 -8.311 6.568 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.715 -9.187 7.667 1.00 0.00 C ATOM 1241 C ASP A 81 -3.486 -10.010 7.276 1.00 0.00 C ATOM 1242 O ASP A 81 -2.519 -10.090 8.029 1.00 0.00 O ATOM 1243 CB ASP A 81 -5.897 -10.099 8.052 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.744 -9.579 9.232 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -6.287 -8.744 10.048 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -7.942 -9.948 9.328 1.00 0.00 O ATOM 0 H ASP A 81 -5.978 -8.578 6.124 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.455 -8.583 8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.543 -10.222 7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.511 -11.087 8.305 1.00 0.00 H new ATOM 1251 N SER A 82 -3.488 -10.588 6.078 1.00 0.00 N ATOM 1252 CA SER A 82 -2.445 -11.454 5.561 1.00 0.00 C ATOM 1253 C SER A 82 -1.124 -10.707 5.340 1.00 0.00 C ATOM 1254 O SER A 82 -0.065 -11.334 5.343 1.00 0.00 O ATOM 1255 CB SER A 82 -2.959 -12.049 4.251 1.00 0.00 C ATOM 1256 OG SER A 82 -4.061 -12.911 4.473 1.00 0.00 O ATOM 0 H SER A 82 -4.253 -10.457 5.416 1.00 0.00 H new ATOM 0 HA SER A 82 -2.227 -12.236 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.253 -11.246 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.157 -12.600 3.760 1.00 0.00 H new ATOM 0 HG SER A 82 -4.881 -12.380 4.551 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.153 -9.385 5.155 1.00 0.00 N ATOM 1263 CA VAL A 83 0.045 -8.552 5.157 1.00 0.00 C ATOM 1264 C VAL A 83 0.693 -8.568 6.542 1.00 0.00 C ATOM 1265 O VAL A 83 1.921 -8.626 6.626 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.321 -7.138 4.653 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.637 -6.026 5.109 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.362 -7.186 3.116 1.00 0.00 C ATOM 0 H VAL A 83 -2.015 -8.862 4.999 1.00 0.00 H new ATOM 0 HA VAL A 83 0.796 -8.947 4.473 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.286 -6.880 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.302 -5.070 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.648 -5.979 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.642 -6.240 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.618 -6.200 2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.615 -7.483 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.112 -7.909 2.794 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.092 -8.561 7.622 1.00 0.00 N ATOM 1279 CA LYS A 84 0.438 -8.604 8.982 1.00 0.00 C ATOM 1280 C LYS A 84 1.128 -9.933 9.214 1.00 0.00 C ATOM 1281 O LYS A 84 2.217 -9.941 9.770 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.657 -8.458 10.039 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.629 -7.305 9.792 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.804 -7.486 10.738 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.845 -6.400 10.519 1.00 0.00 C ATOM 1286 NZ LYS A 84 -5.029 -6.667 11.349 1.00 0.00 N ATOM 0 H LYS A 84 -1.110 -8.525 7.576 1.00 0.00 H new ATOM 0 HA LYS A 84 1.131 -7.768 9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.223 -9.389 10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.188 -8.318 11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.140 -6.347 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.968 -7.305 8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.255 -8.466 10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.454 -7.458 11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.426 -5.426 10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.128 -6.363 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.492 -5.768 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.694 -7.268 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.739 -7.154 12.221 1.00 0.00 H new ATOM 1300 N GLU A 85 0.518 -11.035 8.771 1.00 0.00 N ATOM 1301 CA GLU A 85 1.084 -12.367 8.947 1.00 0.00 C ATOM 1302 C GLU A 85 2.441 -12.455 8.255 1.00 0.00 C ATOM 1303 O GLU A 85 3.416 -12.939 8.830 1.00 0.00 O ATOM 1304 CB GLU A 85 0.157 -13.442 8.387 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.259 -13.394 8.961 1.00 0.00 C ATOM 1306 CD GLU A 85 -2.028 -14.665 8.611 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -2.187 -14.970 7.398 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -2.492 -15.354 9.541 1.00 0.00 O ATOM 0 H GLU A 85 -0.378 -11.026 8.283 1.00 0.00 H new ATOM 0 HA GLU A 85 1.205 -12.539 10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.104 -13.335 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.588 -14.422 8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.214 -13.277 10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.786 -12.525 8.568 1.00 0.00 H new ATOM 1315 N ASN A 86 2.511 -11.927 7.031 1.00 0.00 N ATOM 1316 CA ASN A 86 3.723 -11.798 6.221 1.00 0.00 C ATOM 1317 C ASN A 86 4.687 -10.727 6.778 1.00 0.00 C ATOM 1318 O ASN A 86 5.708 -10.441 6.155 1.00 0.00 O ATOM 1319 CB ASN A 86 3.323 -11.515 4.767 1.00 0.00 C ATOM 1320 CG ASN A 86 2.585 -12.668 4.088 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.208 -13.676 4.691 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.346 -12.553 2.797 1.00 0.00 N ATOM 0 H ASN A 86 1.686 -11.561 6.556 1.00 0.00 H new ATOM 0 HA ASN A 86 4.276 -12.737 6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.691 -10.628 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.220 -11.284 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.852 -13.295 2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.655 -11.722 2.293 1.00 0.00 H new ATOM 1329 N ALA A 87 4.382 -10.166 7.954 1.00 0.00 N ATOM 1330 CA ALA A 87 5.130 -9.223 8.774 1.00 0.00 C ATOM 1331 C ALA A 87 5.239 -7.832 8.142 1.00 0.00 C ATOM 1332 O ALA A 87 6.340 -7.289 8.035 1.00 0.00 O ATOM 1333 CB ALA A 87 6.469 -9.819 9.220 1.00 0.00 C ATOM 0 H ALA A 87 3.495 -10.395 8.402 1.00 0.00 H new ATOM 0 HA ALA A 87 4.556 -9.052 9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.005 -9.093 9.830 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.289 -10.721 9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.067 -10.068 8.343 1.00 0.00 H new ATOM 1339 N GLY A 88 4.096 -7.231 7.797 1.00 0.00 N ATOM 1340 CA GLY A 88 3.998 -5.860 7.303 1.00 0.00 C ATOM 1341 C GLY A 88 3.054 -4.972 8.121 1.00 0.00 C ATOM 1342 O GLY A 88 2.210 -5.449 8.890 1.00 0.00 O ATOM 0 H GLY A 88 3.192 -7.699 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.992 -5.413 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.656 -5.880 6.268 1.00 0.00 H new ATOM 1346 N THR A 89 3.195 -3.664 7.928 1.00 0.00 N ATOM 1347 CA THR A 89 2.387 -2.593 8.494 1.00 0.00 C ATOM 1348 C THR A 89 1.106 -2.418 7.660 1.00 0.00 C ATOM 1349 O THR A 89 1.100 -2.541 6.433 1.00 0.00 O ATOM 1350 CB THR A 89 3.241 -1.310 8.467 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.417 -1.485 9.235 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.538 -0.078 9.038 1.00 0.00 C ATOM 0 H THR A 89 3.933 -3.300 7.326 1.00 0.00 H new ATOM 0 HA THR A 89 2.089 -2.820 9.517 1.00 0.00 H new ATOM 0 HB THR A 89 3.448 -1.140 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.951 -0.664 9.208 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.207 0.781 8.982 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.636 0.126 8.461 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.270 -0.262 10.078 1.00 0.00 H new ATOM 1360 N VAL A 90 0.010 -2.055 8.321 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.263 -1.688 7.711 1.00 0.00 C ATOM 1362 C VAL A 90 -1.480 -0.192 7.939 1.00 0.00 C ATOM 1363 O VAL A 90 -1.147 0.327 9.008 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.377 -2.548 8.347 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.793 -2.066 7.989 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.215 -4.022 7.941 1.00 0.00 C ATOM 0 H VAL A 90 -0.015 -2.007 9.340 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.273 -1.875 6.637 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.265 -2.443 9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.529 -2.712 8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.928 -1.042 8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.927 -2.101 6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.008 -4.614 8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.276 -4.109 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.246 -4.389 8.281 1.00 0.00 H new ATOM 1376 N ARG A 91 -2.092 0.505 6.978 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.455 1.918 7.077 1.00 0.00 C ATOM 1378 C ARG A 91 -3.889 2.056 6.591 1.00 0.00 C ATOM 1379 O ARG A 91 -4.187 1.706 5.449 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.518 2.768 6.196 1.00 0.00 C ATOM 1381 CG ARG A 91 -0.032 2.731 6.579 1.00 0.00 C ATOM 1382 CD ARG A 91 0.292 3.895 7.506 1.00 0.00 C ATOM 1383 NE ARG A 91 1.631 3.778 8.096 1.00 0.00 N ATOM 1384 CZ ARG A 91 1.919 3.364 9.332 1.00 0.00 C ATOM 1385 NH1 ARG A 91 0.960 3.003 10.179 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.185 3.313 9.717 1.00 0.00 N ATOM 0 H ARG A 91 -2.355 0.088 6.085 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.362 2.266 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.617 2.433 5.163 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.858 3.803 6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.203 1.787 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.585 2.786 5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.222 4.830 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.451 3.941 8.302 1.00 0.00 H new ATOM 0 HE ARG A 91 2.419 4.039 7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.017 3.039 9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.201 2.690 11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.926 3.588 9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.419 2.999 10.659 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.760 2.572 7.454 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.168 2.787 7.157 1.00 0.00 C ATOM 1402 C ILE A 92 -6.294 4.238 6.695 1.00 0.00 C ATOM 1403 O ILE A 92 -6.136 5.148 7.510 1.00 0.00 O ATOM 1404 CB ILE A 92 -7.055 2.535 8.401 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.682 1.302 9.258 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.520 2.495 7.932 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.823 -0.051 8.572 1.00 0.00 C ATOM 0 H ILE A 92 -4.499 2.857 8.398 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.508 2.092 6.390 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.882 3.359 9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.650 1.413 9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.307 1.302 10.151 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.171 2.318 8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.780 3.447 7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.648 1.691 7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.535 -0.842 9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.858 -0.197 8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.176 -0.084 7.695 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.582 4.478 5.419 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.665 5.832 4.895 1.00 0.00 C ATOM 1421 C PHE A 93 -8.099 6.310 5.052 1.00 0.00 C ATOM 1422 O PHE A 93 -9.024 5.654 4.588 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.254 5.844 3.420 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.771 5.973 3.151 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.795 5.395 3.991 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.369 6.698 2.020 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.431 5.618 3.737 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.009 6.876 1.744 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.037 6.355 2.610 1.00 0.00 C ATOM 0 H PHE A 93 -6.762 3.748 4.729 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.992 6.495 5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.610 4.924 2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.767 6.669 2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.096 4.782 4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.112 7.120 1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.685 5.222 4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.706 7.417 0.860 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.989 6.520 2.410 1.00 0.00 H new ATOM 1439 N SER A 94 -8.276 7.449 5.719 1.00 0.00 N ATOM 1440 CA SER A 94 -9.559 8.123 5.789 1.00 0.00 C ATOM 1441 C SER A 94 -9.867 8.692 4.409 1.00 0.00 C ATOM 1442 O SER A 94 -9.135 9.578 3.966 1.00 0.00 O ATOM 1443 CB SER A 94 -9.498 9.250 6.832 1.00 0.00 C ATOM 1444 OG SER A 94 -8.933 8.784 8.051 1.00 0.00 O ATOM 0 H SER A 94 -7.530 7.926 6.225 1.00 0.00 H new ATOM 0 HA SER A 94 -10.342 7.426 6.087 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.904 10.078 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.501 9.636 7.015 1.00 0.00 H new ATOM 0 HG SER A 94 -8.903 9.518 8.699 1.00 0.00 H new ATOM 1450 N SER A 95 -10.937 8.232 3.756 1.00 0.00 N ATOM 1451 CA SER A 95 -11.348 8.737 2.446 1.00 0.00 C ATOM 1452 C SER A 95 -11.636 10.256 2.447 1.00 0.00 C ATOM 1453 O SER A 95 -11.688 10.866 1.376 1.00 0.00 O ATOM 1454 CB SER A 95 -12.556 7.916 1.969 1.00 0.00 C ATOM 1455 OG SER A 95 -12.883 8.223 0.626 1.00 0.00 O ATOM 0 H SER A 95 -11.543 7.498 4.122 1.00 0.00 H new ATOM 0 HA SER A 95 -10.522 8.614 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.335 6.852 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.413 8.119 2.611 1.00 0.00 H new ATOM 0 HG SER A 95 -13.657 7.690 0.348 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.831 10.874 3.619 1.00 0.00 N ATOM 1462 CA LEU A 96 -11.998 12.318 3.776 1.00 0.00 C ATOM 1463 C LEU A 96 -10.678 13.076 3.597 1.00 0.00 C ATOM 1464 O LEU A 96 -10.687 14.167 3.033 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.560 12.637 5.173 1.00 0.00 C ATOM 1466 CG LEU A 96 -14.034 12.243 5.384 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.384 12.406 6.864 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -14.996 13.094 4.549 1.00 0.00 C ATOM 0 H LEU A 96 -11.878 10.368 4.504 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.691 12.643 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.952 12.125 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.455 13.707 5.355 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.147 11.208 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.426 12.129 7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.741 11.761 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.234 13.444 7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.021 12.774 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.887 14.143 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.765 12.972 3.491 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.563 12.572 4.138 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.260 13.206 4.028 1.00 0.00 C ATOM 1482 C HIS A 97 -7.806 13.197 2.564 1.00 0.00 C ATOM 1483 O HIS A 97 -8.134 12.267 1.824 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.291 12.413 4.920 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.046 13.173 5.278 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.788 13.002 4.756 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -5.991 14.194 6.179 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.002 13.953 5.286 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.669 14.669 6.209 1.00 0.00 N ATOM 0 H HIS A 97 -9.548 11.701 4.669 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.292 14.246 4.353 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.807 12.125 5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.010 11.492 4.409 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.816 14.571 6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.972 14.121 5.008 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.293 15.405 6.807 1.00 0.00 H new ATOM 1497 N VAL A 98 -6.961 14.149 2.158 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.462 14.224 0.784 1.00 0.00 C ATOM 1499 C VAL A 98 -5.684 12.967 0.398 1.00 0.00 C ATOM 1500 O VAL A 98 -5.660 12.607 -0.775 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.630 15.502 0.571 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.278 15.464 1.292 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.391 15.773 -0.920 1.00 0.00 C ATOM 0 H VAL A 98 -6.606 14.885 2.769 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.323 14.277 0.118 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.222 16.309 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.739 16.392 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.440 15.350 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.692 14.623 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.801 16.682 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.853 14.933 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.349 15.896 -1.426 1.00 0.00 H new ATOM 1513 N SER A 99 -5.095 12.259 1.368 1.00 0.00 N ATOM 1514 CA SER A 99 -4.429 10.992 1.110 1.00 0.00 C ATOM 1515 C SER A 99 -5.392 9.976 0.487 1.00 0.00 C ATOM 1516 O SER A 99 -4.941 9.114 -0.263 1.00 0.00 O ATOM 1517 CB SER A 99 -3.764 10.479 2.390 1.00 0.00 C ATOM 1518 OG SER A 99 -4.660 10.467 3.486 1.00 0.00 O ATOM 0 H SER A 99 -5.070 12.551 2.345 1.00 0.00 H new ATOM 0 HA SER A 99 -3.639 11.146 0.375 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.384 9.471 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.906 11.108 2.630 1.00 0.00 H new ATOM 0 HG SER A 99 -4.656 11.345 3.921 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.696 10.092 0.762 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.732 9.299 0.137 1.00 0.00 C ATOM 1526 C GLY A 100 -7.895 9.671 -1.327 1.00 0.00 C ATOM 1527 O GLY A 100 -7.771 8.801 -2.190 1.00 0.00 O ATOM 0 H GLY A 100 -7.057 10.759 1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.485 8.241 0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.676 9.449 0.661 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.086 10.963 -1.610 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.216 11.466 -2.976 1.00 0.00 C ATOM 1533 C GLU A 101 -6.985 11.096 -3.807 1.00 0.00 C ATOM 1534 O GLU A 101 -7.110 10.714 -4.971 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.434 12.987 -3.004 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.609 13.441 -2.127 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.137 14.823 -2.511 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -10.507 15.050 -3.684 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -10.280 15.688 -1.616 1.00 0.00 O ATOM 0 H GLU A 101 -8.155 11.688 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.095 10.993 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.524 13.485 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.611 13.304 -4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.417 12.714 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.293 13.455 -1.084 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.804 11.165 -3.195 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.540 10.741 -3.766 1.00 0.00 C ATOM 1548 C GLN A 102 -4.600 9.251 -4.098 1.00 0.00 C ATOM 1549 O GLN A 102 -4.456 8.902 -5.272 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.385 11.098 -2.816 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.061 12.596 -2.913 1.00 0.00 C ATOM 1552 CD GLN A 102 -2.127 13.098 -1.818 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -2.406 12.999 -0.629 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -0.981 13.646 -2.173 1.00 0.00 N ATOM 0 H GLN A 102 -5.705 11.534 -2.249 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.352 11.271 -4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.655 10.843 -1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.502 10.511 -3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.608 12.798 -3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.991 13.162 -2.871 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.741 13.732 -3.161 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.335 13.984 -1.460 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.866 8.381 -3.108 1.00 0.00 N ATOM 1564 CA LEU A 103 -4.930 6.937 -3.311 1.00 0.00 C ATOM 1565 C LEU A 103 -5.946 6.571 -4.387 1.00 0.00 C ATOM 1566 O LEU A 103 -5.768 5.565 -5.059 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.286 6.187 -2.006 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.672 4.777 -1.902 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.155 4.755 -1.982 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.025 4.092 -0.577 1.00 0.00 C ATOM 0 H LEU A 103 -5.042 8.668 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.936 6.629 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.951 6.781 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.370 6.106 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.098 4.255 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.801 3.727 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.835 5.175 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.739 5.347 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.571 3.101 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.647 4.689 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.108 3.998 -0.493 1.00 0.00 H new ATOM 1582 N SER A 104 -6.992 7.371 -4.568 1.00 0.00 N ATOM 1583 CA SER A 104 -8.062 7.162 -5.534 1.00 0.00 C ATOM 1584 C SER A 104 -7.538 6.995 -6.968 1.00 0.00 C ATOM 1585 O SER A 104 -8.083 6.177 -7.712 1.00 0.00 O ATOM 1586 CB SER A 104 -9.025 8.350 -5.459 1.00 0.00 C ATOM 1587 OG SER A 104 -10.344 7.956 -5.779 1.00 0.00 O ATOM 0 H SER A 104 -7.122 8.221 -4.020 1.00 0.00 H new ATOM 0 HA SER A 104 -8.574 6.234 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.003 8.778 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.699 9.131 -6.146 1.00 0.00 H new ATOM 0 HG SER A 104 -10.940 8.732 -5.722 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.479 7.720 -7.355 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.794 7.557 -8.648 1.00 0.00 C ATOM 1595 C GLN A 105 -5.273 6.130 -8.807 1.00 0.00 C ATOM 1596 O GLN A 105 -5.222 5.583 -9.902 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.596 8.516 -8.703 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.006 9.973 -8.932 1.00 0.00 C ATOM 1599 CD GLN A 105 -3.935 10.965 -8.480 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -3.394 11.745 -9.261 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -3.633 11.003 -7.195 1.00 0.00 N ATOM 0 H GLN A 105 -6.067 8.447 -6.771 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.504 7.772 -9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.037 8.444 -7.770 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.924 8.204 -9.502 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.213 10.126 -9.991 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.932 10.174 -8.394 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.082 10.356 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.951 11.679 -6.851 1.00 0.00 H new ATOM 1610 N LEU A 106 -4.892 5.528 -7.687 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.316 4.207 -7.556 1.00 0.00 C ATOM 1612 C LEU A 106 -5.402 3.209 -7.119 1.00 0.00 C ATOM 1613 O LEU A 106 -5.109 2.158 -6.547 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.155 4.272 -6.549 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.124 5.400 -6.773 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.286 5.562 -5.506 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.231 5.109 -7.982 1.00 0.00 C ATOM 0 H LEU A 106 -4.987 5.990 -6.783 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.922 3.862 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.574 4.384 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.629 3.317 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.654 6.329 -6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.554 6.356 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.937 5.818 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.768 4.627 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.517 5.922 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.692 4.176 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.847 5.022 -8.877 1.00 0.00 H new ATOM 1629 N THR A 107 -6.676 3.533 -7.359 1.00 0.00 N ATOM 1630 CA THR A 107 -7.873 2.753 -7.039 1.00 0.00 C ATOM 1631 C THR A 107 -8.172 2.643 -5.534 1.00 0.00 C ATOM 1632 O THR A 107 -9.058 1.895 -5.135 1.00 0.00 O ATOM 1633 CB THR A 107 -7.889 1.407 -7.800 1.00 0.00 C ATOM 1634 OG1 THR A 107 -7.026 0.441 -7.236 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.479 1.544 -9.270 1.00 0.00 C ATOM 0 H THR A 107 -6.914 4.413 -7.816 1.00 0.00 H new ATOM 0 HA THR A 107 -8.725 3.322 -7.411 1.00 0.00 H new ATOM 0 HB THR A 107 -8.927 1.084 -7.721 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.322 0.891 -6.724 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.510 0.565 -9.749 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.167 2.219 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.467 1.945 -9.330 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.458 3.401 -4.700 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.597 3.452 -3.253 1.00 0.00 C ATOM 1645 C GLY A 108 -6.981 2.250 -2.539 1.00 0.00 C ATOM 1646 O GLY A 108 -7.314 2.014 -1.378 1.00 0.00 O ATOM 0 H GLY A 108 -6.729 4.028 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.128 4.364 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.655 3.512 -2.999 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.079 1.504 -3.186 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.370 0.384 -2.578 1.00 0.00 C ATOM 1652 C VAL A 109 -3.973 0.281 -3.201 1.00 0.00 C ATOM 1653 O VAL A 109 -3.838 0.135 -4.419 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.214 -0.906 -2.705 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.667 -1.212 -4.133 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.486 -2.103 -2.090 1.00 0.00 C ATOM 0 H VAL A 109 -5.821 1.667 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.228 0.541 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.127 -0.719 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.253 -2.131 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.278 -0.389 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.794 -1.334 -4.774 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.102 -2.996 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.537 -2.255 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.299 -1.912 -1.033 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.924 0.357 -2.381 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.539 0.189 -2.803 1.00 0.00 C ATOM 1668 C ALA A 110 -0.709 -0.402 -1.658 1.00 0.00 C ATOM 1669 O ALA A 110 -1.193 -0.480 -0.530 1.00 0.00 O ATOM 1670 CB ALA A 110 -1.002 1.552 -3.262 1.00 0.00 C ATOM 0 H ALA A 110 -3.019 0.541 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.472 -0.509 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.035 1.446 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.603 1.918 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.056 2.261 -2.436 1.00 0.00 H new ATOM 1676 N ALA A 111 0.533 -0.814 -1.916 1.00 0.00 N ATOM 1677 CA ALA A 111 1.508 -1.074 -0.866 1.00 0.00 C ATOM 1678 C ALA A 111 2.933 -0.752 -1.352 1.00 0.00 C ATOM 1679 O ALA A 111 3.229 -0.872 -2.546 1.00 0.00 O ATOM 1680 CB ALA A 111 1.442 -2.558 -0.483 1.00 0.00 C ATOM 0 H ALA A 111 0.887 -0.975 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 111 1.276 -0.442 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.169 -2.764 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.441 -2.797 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.669 -3.170 -1.356 1.00 0.00 H new ATOM 1686 N ILE A 112 3.828 -0.418 -0.418 1.00 0.00 N ATOM 1687 CA ILE A 112 5.265 -0.314 -0.619 1.00 0.00 C ATOM 1688 C ILE A 112 5.848 -1.718 -0.470 1.00 0.00 C ATOM 1689 O ILE A 112 5.457 -2.473 0.433 1.00 0.00 O ATOM 1690 CB ILE A 112 5.898 0.637 0.427 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.281 2.050 0.381 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.413 0.730 0.175 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.743 2.971 1.523 1.00 0.00 C ATOM 0 H ILE A 112 3.552 -0.204 0.540 1.00 0.00 H new ATOM 0 HA ILE A 112 5.479 0.094 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 112 5.698 0.224 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.534 2.515 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.195 1.963 0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.864 1.398 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.858 -0.261 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.592 1.118 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.265 3.945 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.466 2.530 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.825 3.091 1.478 1.00 0.00 H new ATOM 1705 N LEU A 113 6.839 -2.032 -1.303 1.00 0.00 N ATOM 1706 CA LEU A 113 7.539 -3.300 -1.290 1.00 0.00 C ATOM 1707 C LEU A 113 8.958 -3.111 -0.771 1.00 0.00 C ATOM 1708 O LEU A 113 9.635 -2.118 -1.055 1.00 0.00 O ATOM 1709 CB LEU A 113 7.579 -3.927 -2.687 1.00 0.00 C ATOM 1710 CG LEU A 113 6.231 -3.968 -3.427 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.403 -4.435 -4.870 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.248 -4.909 -2.756 1.00 0.00 C ATOM 0 H LEU A 113 7.180 -1.391 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 113 6.997 -3.974 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.293 -3.372 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.958 -4.945 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 113 5.845 -2.949 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.432 -4.453 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.067 -3.750 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.833 -5.436 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.309 -4.909 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.661 -5.918 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.067 -4.577 -1.734 1.00 0.00 H new ATOM 1724 N ARG A 114 9.440 -4.116 -0.050 1.00 0.00 N ATOM 1725 CA ARG A 114 10.807 -4.210 0.444 1.00 0.00 C ATOM 1726 C ARG A 114 11.798 -4.342 -0.701 1.00 0.00 C ATOM 1727 O ARG A 114 12.860 -3.736 -0.655 1.00 0.00 O ATOM 1728 CB ARG A 114 10.927 -5.411 1.384 1.00 0.00 C ATOM 1729 CG ARG A 114 10.077 -5.229 2.643 1.00 0.00 C ATOM 1730 CD ARG A 114 10.275 -6.389 3.614 1.00 0.00 C ATOM 1731 NE ARG A 114 11.263 -6.062 4.657 1.00 0.00 N ATOM 1732 CZ ARG A 114 11.682 -6.898 5.612 1.00 0.00 C ATOM 1733 NH1 ARG A 114 11.109 -8.089 5.753 1.00 0.00 N ATOM 1734 NH2 ARG A 114 12.684 -6.533 6.408 1.00 0.00 N ATOM 0 H ARG A 114 8.868 -4.917 0.216 1.00 0.00 H new ATOM 0 HA ARG A 114 11.043 -3.294 0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.615 -6.315 0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.971 -5.550 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.343 -4.292 3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.025 -5.157 2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.322 -6.640 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 114 10.603 -7.272 3.065 1.00 0.00 H new ATOM 0 HE ARG A 114 11.659 -5.122 4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 114 10.349 -8.366 5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 114 11.430 -8.726 6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 114 13.126 -5.622 6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 114 13.010 -7.165 7.139 1.00 0.00 H new ATOM 1748 N PHE A 115 11.441 -5.094 -1.733 1.00 0.00 N ATOM 1749 CA PHE A 115 12.247 -5.442 -2.888 1.00 0.00 C ATOM 1750 C PHE A 115 11.306 -5.465 -4.091 1.00 0.00 C ATOM 1751 O PHE A 115 10.091 -5.589 -3.898 1.00 0.00 O ATOM 1752 CB PHE A 115 12.910 -6.810 -2.660 1.00 0.00 C ATOM 1753 CG PHE A 115 12.022 -7.915 -2.118 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.212 -8.693 -2.973 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.052 -8.199 -0.740 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.479 -9.769 -2.447 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.290 -9.253 -0.216 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.514 -10.048 -1.072 1.00 0.00 C ATOM 0 H PHE A 115 10.509 -5.506 -1.785 1.00 0.00 H new ATOM 0 HA PHE A 115 13.048 -4.722 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.332 -7.146 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.743 -6.674 -1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.156 -8.462 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.666 -7.602 -0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.885 -10.386 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.301 -9.452 0.845 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.944 -10.874 -0.673 1.00 0.00 H new ATOM 1768 N PRO A 116 11.816 -5.308 -5.320 1.00 0.00 N ATOM 1769 CA PRO A 116 10.973 -5.272 -6.501 1.00 0.00 C ATOM 1770 C PRO A 116 10.412 -6.670 -6.734 1.00 0.00 C ATOM 1771 O PRO A 116 11.154 -7.651 -6.753 1.00 0.00 O ATOM 1772 CB PRO A 116 11.872 -4.785 -7.637 1.00 0.00 C ATOM 1773 CG PRO A 116 13.260 -5.242 -7.203 1.00 0.00 C ATOM 1774 CD PRO A 116 13.217 -5.176 -5.680 1.00 0.00 C ATOM 0 HA PRO A 116 10.116 -4.605 -6.413 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.585 -5.222 -8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 116 11.823 -3.702 -7.754 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.474 -6.252 -7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.037 -4.594 -7.608 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.812 -5.974 -5.237 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.627 -4.234 -5.317 1.00 0.00 H new ATOM 1782 N VAL A 117 9.097 -6.772 -6.881 1.00 0.00 N ATOM 1783 CA VAL A 117 8.456 -8.033 -7.217 1.00 0.00 C ATOM 1784 C VAL A 117 8.628 -8.190 -8.739 1.00 0.00 C ATOM 1785 O VAL A 117 8.143 -7.331 -9.483 1.00 0.00 O ATOM 1786 CB VAL A 117 6.990 -7.986 -6.763 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.176 -9.205 -7.219 1.00 0.00 C ATOM 1788 CG2 VAL A 117 6.837 -7.871 -5.238 1.00 0.00 C ATOM 0 H VAL A 117 8.452 -5.990 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 117 8.893 -8.897 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 117 6.601 -7.087 -7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.149 -9.110 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.181 -9.260 -8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.618 -10.112 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.778 -7.842 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.304 -8.732 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.320 -6.957 -4.892 1.00 0.00 H new