USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=18 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 102 GLN : amide:sc= -0.0451 X(o=0.098,f=-0.29) USER MOD Set 1.2: A 105 GLN : amide:sc= 0.143 X(o=0.098,f=-0.18) USER MOD Set 2.1: A 97 HIS : no HD1:sc= -0.963 X(o=-1.3,f=-1.5) USER MOD Set 2.2: A 99 SER OG : rot -99:sc= -0.365 USER MOD Set 3.1: A 50 ASN :FLIP amide:sc=-0.000216 F(o=-2.4,f=-1.7) USER MOD Set 3.2: A 86 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.2) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0161 (180deg=-0.188) USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00947) USER MOD Single : A 29 TYR OH : rot 144:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 172:sc= -0.0665 (180deg=-0.274) USER MOD Single : A 33 GLN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=0) 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= 0.112 K(o=0.11,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.564 K(o=0.56,f=-6.1!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 93:sc= 0.0353 USER MOD Single : A 74 SER OG : rot 66:sc= 1.31 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 73:sc= 0.116 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -45:sc= 0.0752 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 17 -2.165 10.316 13.433 1.00 0.00 N ATOM 198 CA LYS A 17 -2.701 9.149 12.743 1.00 0.00 C ATOM 199 C LYS A 17 -2.593 9.334 11.232 1.00 0.00 C ATOM 200 O LYS A 17 -2.008 8.489 10.553 1.00 0.00 O ATOM 201 CB LYS A 17 -4.152 8.926 13.188 1.00 0.00 C ATOM 202 CG LYS A 17 -4.699 7.551 12.788 1.00 0.00 C ATOM 203 CD LYS A 17 -3.985 6.402 13.508 1.00 0.00 C ATOM 204 CE LYS A 17 -4.866 5.154 13.634 1.00 0.00 C ATOM 205 NZ LYS A 17 -5.986 5.358 14.576 1.00 0.00 N ATOM 0 HA LYS A 17 -2.122 8.263 13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.214 9.034 14.271 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.782 9.702 12.753 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.765 7.509 13.012 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.594 7.421 11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.074 6.147 12.966 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.683 6.732 14.502 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.261 4.889 12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.258 4.314 13.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.367 4.435 14.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.646 5.872 15.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.734 5.911 14.111 1.00 0.00 H new ATOM 219 N ALA A 18 -3.088 10.463 10.723 1.00 0.00 N ATOM 220 CA ALA A 18 -2.942 10.846 9.332 1.00 0.00 C ATOM 221 C ALA A 18 -1.462 10.927 8.965 1.00 0.00 C ATOM 222 O ALA A 18 -1.089 10.472 7.898 1.00 0.00 O ATOM 223 CB ALA A 18 -3.640 12.184 9.080 1.00 0.00 C ATOM 0 H ALA A 18 -3.608 11.142 11.279 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.411 10.091 8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.525 12.463 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.700 12.092 9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.193 12.952 9.711 1.00 0.00 H new ATOM 229 N ALA A 19 -0.599 11.447 9.837 1.00 0.00 N ATOM 230 CA ALA A 19 0.818 11.637 9.564 1.00 0.00 C ATOM 231 C ALA A 19 1.557 10.333 9.257 1.00 0.00 C ATOM 232 O ALA A 19 2.545 10.373 8.530 1.00 0.00 O ATOM 233 CB ALA A 19 1.485 12.331 10.751 1.00 0.00 C ATOM 0 H ALA A 19 -0.875 11.753 10.770 1.00 0.00 H new ATOM 0 HA ALA A 19 0.881 12.256 8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.546 12.471 10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.016 13.301 10.915 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.369 11.716 11.644 1.00 0.00 H new ATOM 239 N GLY A 20 1.123 9.190 9.796 1.00 0.00 N ATOM 240 CA GLY A 20 1.757 7.904 9.507 1.00 0.00 C ATOM 241 C GLY A 20 1.297 7.355 8.161 1.00 0.00 C ATOM 242 O GLY A 20 2.092 6.806 7.393 1.00 0.00 O ATOM 0 H GLY A 20 0.332 9.131 10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.841 8.022 9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.516 7.191 10.295 1.00 0.00 H new ATOM 246 N GLU A 21 0.009 7.536 7.880 1.00 0.00 N ATOM 247 CA GLU A 21 -0.676 7.165 6.655 1.00 0.00 C ATOM 248 C GLU A 21 -0.075 7.985 5.504 1.00 0.00 C ATOM 249 O GLU A 21 0.387 7.410 4.520 1.00 0.00 O ATOM 250 CB GLU A 21 -2.188 7.393 6.858 1.00 0.00 C ATOM 251 CG GLU A 21 -3.020 6.221 7.441 1.00 0.00 C ATOM 252 CD GLU A 21 -2.601 5.528 8.761 1.00 0.00 C ATOM 253 OE1 GLU A 21 -1.438 5.561 9.195 1.00 0.00 O ATOM 254 OE2 GLU A 21 -3.441 4.781 9.326 1.00 0.00 O ATOM 0 H GLU A 21 -0.622 7.976 8.550 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.545 6.113 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.312 8.253 7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.619 7.664 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.036 6.589 7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.064 5.448 6.674 1.00 0.00 H new ATOM 261 N VAL A 22 0.020 9.306 5.675 1.00 0.00 N ATOM 262 CA VAL A 22 0.700 10.237 4.787 1.00 0.00 C ATOM 263 C VAL A 22 2.132 9.786 4.574 1.00 0.00 C ATOM 264 O VAL A 22 2.534 9.683 3.424 1.00 0.00 O ATOM 265 CB VAL A 22 0.666 11.677 5.341 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.578 12.632 4.554 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.750 12.244 5.268 1.00 0.00 C ATOM 0 H VAL A 22 -0.398 9.773 6.479 1.00 0.00 H new ATOM 0 HA VAL A 22 0.175 10.242 3.832 1.00 0.00 H new ATOM 0 HB VAL A 22 1.016 11.610 6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.517 13.631 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.607 12.277 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.257 12.666 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.756 13.260 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.084 12.256 4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.422 11.621 5.859 1.00 0.00 H new ATOM 277 N LYS A 23 2.905 9.514 5.636 1.00 0.00 N ATOM 278 CA LYS A 23 4.305 9.124 5.475 1.00 0.00 C ATOM 279 C LYS A 23 4.405 7.952 4.510 1.00 0.00 C ATOM 280 O LYS A 23 5.249 7.977 3.616 1.00 0.00 O ATOM 281 CB LYS A 23 4.943 8.814 6.841 1.00 0.00 C ATOM 282 CG LYS A 23 6.472 8.949 6.843 1.00 0.00 C ATOM 283 CD LYS A 23 7.233 7.693 6.388 1.00 0.00 C ATOM 284 CE LYS A 23 8.724 7.987 6.190 1.00 0.00 C ATOM 285 NZ LYS A 23 9.388 8.353 7.452 1.00 0.00 N ATOM 0 H LYS A 23 2.585 9.557 6.603 1.00 0.00 H new ATOM 0 HA LYS A 23 4.867 9.954 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.525 9.486 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.675 7.800 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.750 9.779 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.798 9.209 7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.111 6.903 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.806 7.324 5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.213 7.110 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.841 8.798 5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.401 8.510 7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.962 9.224 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.271 7.584 8.142 1.00 0.00 H new ATOM 299 N ALA A 24 3.533 6.959 4.680 1.00 0.00 N ATOM 300 CA ALA A 24 3.460 5.814 3.794 1.00 0.00 C ATOM 301 C ALA A 24 3.106 6.237 2.360 1.00 0.00 C ATOM 302 O ALA A 24 3.819 5.852 1.441 1.00 0.00 O ATOM 303 CB ALA A 24 2.491 4.777 4.368 1.00 0.00 C ATOM 0 H ALA A 24 2.856 6.933 5.443 1.00 0.00 H new ATOM 0 HA ALA A 24 4.442 5.345 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.439 3.918 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.843 4.453 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.500 5.220 4.467 1.00 0.00 H new ATOM 309 N LEU A 25 2.052 7.033 2.138 1.00 0.00 N ATOM 310 CA LEU A 25 1.681 7.511 0.796 1.00 0.00 C ATOM 311 C LEU A 25 2.846 8.240 0.122 1.00 0.00 C ATOM 312 O LEU A 25 3.144 8.017 -1.048 1.00 0.00 O ATOM 313 CB LEU A 25 0.489 8.479 0.873 1.00 0.00 C ATOM 314 CG LEU A 25 -0.040 8.855 -0.529 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.136 7.909 -1.029 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.517 10.304 -0.498 1.00 0.00 C ATOM 0 H LEU A 25 1.434 7.364 2.879 1.00 0.00 H new ATOM 0 HA LEU A 25 1.413 6.632 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.313 8.022 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.789 9.383 1.402 1.00 0.00 H new ATOM 0 HG LEU A 25 0.776 8.750 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.466 8.226 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.743 6.894 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.980 7.933 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.894 10.584 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.313 10.409 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.315 10.955 -0.229 1.00 0.00 H new ATOM 328 N ASP A 26 3.486 9.136 0.861 1.00 0.00 N ATOM 329 CA ASP A 26 4.582 9.976 0.409 1.00 0.00 C ATOM 330 C ASP A 26 5.731 9.117 -0.070 1.00 0.00 C ATOM 331 O ASP A 26 6.309 9.360 -1.131 1.00 0.00 O ATOM 332 CB ASP A 26 5.069 10.802 1.599 1.00 0.00 C ATOM 333 CG ASP A 26 5.871 12.027 1.207 1.00 0.00 C ATOM 334 OD1 ASP A 26 5.326 12.871 0.460 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.978 12.223 1.756 1.00 0.00 O ATOM 0 H ASP A 26 3.242 9.303 1.837 1.00 0.00 H new ATOM 0 HA ASP A 26 4.240 10.614 -0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.207 11.117 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.681 10.169 2.242 1.00 0.00 H new ATOM 340 N ASP A 27 6.051 8.113 0.747 1.00 0.00 N ATOM 341 CA ASP A 27 7.212 7.275 0.558 1.00 0.00 C ATOM 342 C ASP A 27 6.983 6.313 -0.611 1.00 0.00 C ATOM 343 O ASP A 27 7.897 6.001 -1.382 1.00 0.00 O ATOM 344 CB ASP A 27 7.496 6.470 1.834 1.00 0.00 C ATOM 345 CG ASP A 27 8.885 5.849 1.815 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.863 6.569 1.496 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.043 4.672 2.200 1.00 0.00 O ATOM 0 H ASP A 27 5.497 7.864 1.566 1.00 0.00 H new ATOM 0 HA ASP A 27 8.068 7.913 0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.401 7.121 2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.748 5.684 1.942 1.00 0.00 H new ATOM 352 N PHE A 28 5.727 5.866 -0.731 1.00 0.00 N ATOM 353 CA PHE A 28 5.176 5.066 -1.805 1.00 0.00 C ATOM 354 C PHE A 28 5.273 5.824 -3.121 1.00 0.00 C ATOM 355 O PHE A 28 5.882 5.319 -4.062 1.00 0.00 O ATOM 356 CB PHE A 28 3.722 4.689 -1.473 1.00 0.00 C ATOM 357 CG PHE A 28 3.018 3.993 -2.610 1.00 0.00 C ATOM 358 CD1 PHE A 28 3.100 2.596 -2.725 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.356 4.749 -3.597 1.00 0.00 C ATOM 360 CE1 PHE A 28 2.558 1.963 -3.853 1.00 0.00 C ATOM 361 CE2 PHE A 28 1.845 4.113 -4.737 1.00 0.00 C ATOM 362 CZ PHE A 28 1.951 2.722 -4.870 1.00 0.00 C ATOM 0 H PHE A 28 5.026 6.076 -0.021 1.00 0.00 H new ATOM 0 HA PHE A 28 5.749 4.145 -1.911 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.712 4.041 -0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.170 5.591 -1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.577 2.013 -1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.242 5.816 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.607 0.888 -3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.370 4.695 -5.513 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.567 2.233 -5.753 1.00 0.00 H new ATOM 372 N TYR A 29 4.694 7.026 -3.215 1.00 0.00 N ATOM 373 CA TYR A 29 4.730 7.782 -4.461 1.00 0.00 C ATOM 374 C TYR A 29 6.147 8.062 -4.916 1.00 0.00 C ATOM 375 O TYR A 29 6.404 8.056 -6.116 1.00 0.00 O ATOM 376 CB TYR A 29 4.023 9.120 -4.320 1.00 0.00 C ATOM 377 CG TYR A 29 2.560 9.031 -4.628 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.136 8.456 -5.836 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.635 9.557 -3.726 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.773 8.398 -6.147 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.268 9.532 -4.047 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.176 8.942 -5.251 1.00 0.00 C ATOM 383 OH TYR A 29 -1.506 8.911 -5.532 1.00 0.00 O ATOM 0 H TYR A 29 4.202 7.488 -2.450 1.00 0.00 H new ATOM 0 HA TYR A 29 4.222 7.159 -5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.155 9.492 -3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.488 9.845 -4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.864 8.057 -6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.967 9.980 -2.789 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.447 7.939 -7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.450 9.968 -3.368 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.011 8.761 -4.706 1.00 0.00 H new ATOM 393 N LYS A 30 7.054 8.293 -3.970 1.00 0.00 N ATOM 394 CA LYS A 30 8.472 8.433 -4.258 1.00 0.00 C ATOM 395 C LYS A 30 8.935 7.259 -5.125 1.00 0.00 C ATOM 396 O LYS A 30 9.472 7.487 -6.205 1.00 0.00 O ATOM 397 CB LYS A 30 9.274 8.551 -2.952 1.00 0.00 C ATOM 398 CG LYS A 30 10.300 9.686 -3.033 1.00 0.00 C ATOM 399 CD LYS A 30 11.232 9.744 -1.818 1.00 0.00 C ATOM 400 CE LYS A 30 12.145 8.509 -1.737 1.00 0.00 C ATOM 401 NZ LYS A 30 13.031 8.555 -0.558 1.00 0.00 N ATOM 0 H LYS A 30 6.822 8.388 -2.981 1.00 0.00 H new ATOM 0 HA LYS A 30 8.648 9.350 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.594 8.731 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.784 7.609 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.898 9.563 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.774 10.636 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.843 10.645 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.637 9.816 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.533 7.608 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.749 8.444 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.630 7.705 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.633 9.402 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.456 8.591 0.308 1.00 0.00 H new ATOM 415 N MET A 31 8.690 6.016 -4.701 1.00 0.00 N ATOM 416 CA MET A 31 8.985 4.834 -5.506 1.00 0.00 C ATOM 417 C MET A 31 8.209 4.881 -6.819 1.00 0.00 C ATOM 418 O MET A 31 8.794 4.622 -7.859 1.00 0.00 O ATOM 419 CB MET A 31 8.610 3.555 -4.757 1.00 0.00 C ATOM 420 CG MET A 31 9.308 3.405 -3.414 1.00 0.00 C ATOM 421 SD MET A 31 10.905 2.567 -3.466 1.00 0.00 S ATOM 422 CE MET A 31 10.597 1.513 -2.034 1.00 0.00 C ATOM 0 H MET A 31 8.282 5.804 -3.791 1.00 0.00 H new ATOM 0 HA MET A 31 10.056 4.830 -5.708 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.532 3.540 -4.599 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.853 2.695 -5.381 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.450 4.396 -2.984 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.650 2.857 -2.740 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.401 0.784 -1.939 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.555 2.126 -1.134 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.648 0.992 -2.163 1.00 0.00 H new ATOM 432 N LEU A 32 6.921 5.234 -6.799 1.00 0.00 N ATOM 433 CA LEU A 32 6.077 5.288 -7.995 1.00 0.00 C ATOM 434 C LEU A 32 6.654 6.203 -9.087 1.00 0.00 C ATOM 435 O LEU A 32 6.334 6.039 -10.264 1.00 0.00 O ATOM 436 CB LEU A 32 4.660 5.746 -7.604 1.00 0.00 C ATOM 437 CG LEU A 32 3.588 5.256 -8.592 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.246 3.797 -8.304 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.304 6.075 -8.450 1.00 0.00 C ATOM 0 H LEU A 32 6.430 5.493 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 32 6.040 4.284 -8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.425 5.377 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.634 6.835 -7.556 1.00 0.00 H new ATOM 0 HG LEU A 32 3.988 5.367 -9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.486 3.456 -9.007 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.142 3.185 -8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.866 3.706 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.560 5.711 -9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.919 5.975 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.517 7.124 -8.655 1.00 0.00 H new ATOM 451 N GLN A 33 7.472 7.192 -8.716 1.00 0.00 N ATOM 452 CA GLN A 33 8.266 7.951 -9.669 1.00 0.00 C ATOM 453 C GLN A 33 9.590 7.210 -9.911 1.00 0.00 C ATOM 454 O GLN A 33 9.853 6.788 -11.037 1.00 0.00 O ATOM 455 CB GLN A 33 8.459 9.410 -9.214 1.00 0.00 C ATOM 456 CG GLN A 33 7.203 10.161 -8.727 1.00 0.00 C ATOM 457 CD GLN A 33 6.017 10.158 -9.693 1.00 0.00 C ATOM 458 OE1 GLN A 33 5.850 11.053 -10.522 1.00 0.00 O ATOM 459 NE2 GLN A 33 5.135 9.179 -9.580 1.00 0.00 N ATOM 0 H GLN A 33 7.598 7.484 -7.747 1.00 0.00 H new ATOM 0 HA GLN A 33 7.737 8.019 -10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.194 9.420 -8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.889 9.970 -10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.881 9.721 -7.783 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.477 11.195 -8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.279 8.440 -8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.311 9.163 -10.181 1.00 0.00 H new ATOM 468 N HIS A 34 10.416 7.044 -8.872 1.00 0.00 N ATOM 469 CA HIS A 34 11.800 6.593 -8.969 1.00 0.00 C ATOM 470 C HIS A 34 11.946 5.132 -9.414 1.00 0.00 C ATOM 471 O HIS A 34 12.625 4.872 -10.411 1.00 0.00 O ATOM 472 CB HIS A 34 12.524 6.825 -7.634 1.00 0.00 C ATOM 473 CG HIS A 34 12.840 8.280 -7.364 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.877 8.982 -7.934 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.211 9.127 -6.489 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.878 10.216 -7.406 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.866 10.367 -6.531 1.00 0.00 N ATOM 0 H HIS A 34 10.126 7.227 -7.911 1.00 0.00 H new ATOM 0 HA HIS A 34 12.264 7.191 -9.753 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.907 6.439 -6.823 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.452 6.253 -7.629 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.358 8.882 -5.873 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.595 10.985 -7.651 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.625 11.208 -6.007 1.00 0.00 H new ATOM 485 N GLU A 35 11.391 4.164 -8.682 1.00 0.00 N ATOM 486 CA GLU A 35 11.446 2.736 -8.999 1.00 0.00 C ATOM 487 C GLU A 35 10.052 2.128 -8.808 1.00 0.00 C ATOM 488 O GLU A 35 9.782 1.521 -7.767 1.00 0.00 O ATOM 489 CB GLU A 35 12.552 2.003 -8.212 1.00 0.00 C ATOM 490 CG GLU A 35 12.616 2.236 -6.693 1.00 0.00 C ATOM 491 CD GLU A 35 13.894 1.632 -6.119 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.087 0.402 -6.197 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.699 2.357 -5.489 1.00 0.00 O ATOM 0 H GLU A 35 10.874 4.359 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 35 11.728 2.609 -10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.434 0.933 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.514 2.290 -8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.583 3.305 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.746 1.788 -6.212 1.00 0.00 H new ATOM 500 N PRO A 36 9.144 2.284 -9.791 1.00 0.00 N ATOM 501 CA PRO A 36 7.746 1.910 -9.625 1.00 0.00 C ATOM 502 C PRO A 36 7.526 0.406 -9.464 1.00 0.00 C ATOM 503 O PRO A 36 6.412 0.014 -9.126 1.00 0.00 O ATOM 504 CB PRO A 36 7.002 2.475 -10.836 1.00 0.00 C ATOM 505 CG PRO A 36 8.092 2.650 -11.888 1.00 0.00 C ATOM 506 CD PRO A 36 9.332 2.973 -11.059 1.00 0.00 C ATOM 0 HA PRO A 36 7.363 2.326 -8.693 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.222 1.795 -11.178 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.518 3.423 -10.601 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.229 1.745 -12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.853 3.454 -12.585 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.238 2.632 -11.560 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.435 4.048 -10.910 1.00 0.00 H new ATOM 514 N ASP A 37 8.550 -0.441 -9.637 1.00 0.00 N ATOM 515 CA ASP A 37 8.480 -1.826 -9.182 1.00 0.00 C ATOM 516 C ASP A 37 8.086 -1.824 -7.719 1.00 0.00 C ATOM 517 O ASP A 37 7.098 -2.454 -7.362 1.00 0.00 O ATOM 518 CB ASP A 37 9.797 -2.603 -9.324 1.00 0.00 C ATOM 519 CG ASP A 37 10.058 -3.024 -10.758 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.580 -2.207 -11.545 1.00 0.00 O ATOM 521 OD2 ASP A 37 9.728 -4.177 -11.115 1.00 0.00 O ATOM 0 H ASP A 37 9.430 -0.188 -10.087 1.00 0.00 H new ATOM 0 HA ASP A 37 7.750 -2.328 -9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.622 -1.984 -8.972 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.767 -3.487 -8.687 1.00 0.00 H new ATOM 526 N ARG A 38 8.818 -1.123 -6.845 1.00 0.00 N ATOM 527 CA ARG A 38 8.657 -1.257 -5.401 1.00 0.00 C ATOM 528 C ARG A 38 7.407 -0.544 -4.882 1.00 0.00 C ATOM 529 O ARG A 38 7.239 -0.434 -3.665 1.00 0.00 O ATOM 530 CB ARG A 38 9.941 -0.822 -4.673 1.00 0.00 C ATOM 531 CG ARG A 38 11.098 -1.797 -4.959 1.00 0.00 C ATOM 532 CD ARG A 38 12.162 -1.811 -3.853 1.00 0.00 C ATOM 533 NE ARG A 38 13.063 -0.659 -3.893 1.00 0.00 N ATOM 534 CZ ARG A 38 13.873 -0.241 -2.914 1.00 0.00 C ATOM 535 NH1 ARG A 38 13.962 -0.886 -1.752 1.00 0.00 N ATOM 536 NH2 ARG A 38 14.621 0.838 -3.100 1.00 0.00 N ATOM 0 H ARG A 38 9.534 -0.451 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 38 8.497 -2.312 -5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.221 0.182 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.757 -0.777 -3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.696 -2.803 -5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.569 -1.526 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.666 -1.840 -2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.750 -2.725 -3.938 1.00 0.00 H new ATOM 0 HE ARG A 38 13.075 -0.118 -4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.403 -1.724 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.589 -0.542 -1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.576 1.343 -3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.241 1.163 -2.358 1.00 0.00 H new ATOM 550 N ALA A 39 6.516 -0.097 -5.769 1.00 0.00 N ATOM 551 CA ALA A 39 5.250 0.505 -5.431 1.00 0.00 C ATOM 552 C ALA A 39 4.129 -0.191 -6.197 1.00 0.00 C ATOM 553 O ALA A 39 3.855 0.140 -7.348 1.00 0.00 O ATOM 554 CB ALA A 39 5.319 2.013 -5.698 1.00 0.00 C ATOM 0 H ALA A 39 6.673 -0.152 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 39 5.031 0.377 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.363 2.472 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.107 2.455 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.535 2.186 -6.752 1.00 0.00 H new ATOM 560 N PHE A 40 3.464 -1.155 -5.557 1.00 0.00 N ATOM 561 CA PHE A 40 2.368 -1.900 -6.173 1.00 0.00 C ATOM 562 C PHE A 40 1.061 -1.224 -5.818 1.00 0.00 C ATOM 563 O PHE A 40 0.882 -0.812 -4.668 1.00 0.00 O ATOM 564 CB PHE A 40 2.312 -3.327 -5.628 1.00 0.00 C ATOM 565 CG PHE A 40 3.119 -4.317 -6.432 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.237 -3.920 -7.185 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.730 -5.661 -6.424 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.915 -4.863 -7.963 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.433 -6.622 -7.167 1.00 0.00 C ATOM 570 CZ PHE A 40 4.523 -6.213 -7.950 1.00 0.00 C ATOM 0 H PHE A 40 3.671 -1.439 -4.600 1.00 0.00 H new ATOM 0 HA PHE A 40 2.528 -1.924 -7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.673 -3.328 -4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.273 -3.656 -5.601 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.570 -2.893 -7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.875 -5.964 -5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.746 -4.552 -8.579 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.139 -7.661 -7.136 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.062 -6.937 -8.544 1.00 0.00 H new ATOM 580 N TYR A 41 0.124 -1.149 -6.762 1.00 0.00 N ATOM 581 CA TYR A 41 -1.195 -0.607 -6.485 1.00 0.00 C ATOM 582 C TYR A 41 -2.313 -1.381 -7.174 1.00 0.00 C ATOM 583 O TYR A 41 -2.103 -2.033 -8.194 1.00 0.00 O ATOM 584 CB TYR A 41 -1.219 0.871 -6.853 1.00 0.00 C ATOM 585 CG TYR A 41 -1.500 1.119 -8.318 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.491 0.982 -9.289 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.819 1.389 -8.709 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.813 1.105 -10.653 1.00 0.00 C ATOM 589 CE2 TYR A 41 -3.141 1.555 -10.060 1.00 0.00 C ATOM 590 CZ TYR A 41 -2.140 1.394 -11.044 1.00 0.00 C ATOM 591 OH TYR A 41 -2.450 1.490 -12.362 1.00 0.00 O ATOM 0 H TYR A 41 0.259 -1.458 -7.725 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.387 -0.715 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.978 1.375 -6.254 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.259 1.318 -6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.527 0.783 -8.988 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.593 1.470 -7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.045 0.978 -11.402 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.151 1.805 -10.350 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.404 1.692 -12.460 1.00 0.00 H new ATOM 601 N GLY A 42 -3.532 -1.234 -6.664 1.00 0.00 N ATOM 602 CA GLY A 42 -4.695 -1.961 -7.134 1.00 0.00 C ATOM 603 C GLY A 42 -4.641 -3.409 -6.658 1.00 0.00 C ATOM 604 O GLY A 42 -3.576 -4.027 -6.612 1.00 0.00 O ATOM 0 H GLY A 42 -3.738 -0.593 -5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.604 -1.484 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.736 -1.930 -8.223 1.00 0.00 H new ATOM 608 N LEU A 43 -5.808 -3.948 -6.301 1.00 0.00 N ATOM 609 CA LEU A 43 -5.971 -5.190 -5.547 1.00 0.00 C ATOM 610 C LEU A 43 -5.073 -6.315 -6.063 1.00 0.00 C ATOM 611 O LEU A 43 -4.324 -6.891 -5.283 1.00 0.00 O ATOM 612 CB LEU A 43 -7.460 -5.586 -5.551 1.00 0.00 C ATOM 613 CG LEU A 43 -7.782 -6.927 -4.857 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.500 -6.897 -3.353 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.261 -7.280 -5.054 1.00 0.00 C ATOM 0 H LEU A 43 -6.700 -3.514 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.650 -5.018 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.032 -4.796 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.804 -5.637 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.133 -7.673 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.745 -7.866 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.445 -6.679 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.109 -6.124 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.478 -8.228 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.883 -6.496 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.475 -7.368 -6.119 1.00 0.00 H new ATOM 627 N LYS A 44 -5.104 -6.598 -7.365 1.00 0.00 N ATOM 628 CA LYS A 44 -4.390 -7.674 -8.009 1.00 0.00 C ATOM 629 C LYS A 44 -2.889 -7.544 -7.749 1.00 0.00 C ATOM 630 O LYS A 44 -2.272 -8.537 -7.370 1.00 0.00 O ATOM 631 CB LYS A 44 -4.805 -7.644 -9.479 1.00 0.00 C ATOM 632 CG LYS A 44 -3.844 -8.396 -10.378 1.00 0.00 C ATOM 633 CD LYS A 44 -3.863 -9.940 -10.374 1.00 0.00 C ATOM 634 CE LYS A 44 -3.122 -10.585 -9.195 1.00 0.00 C ATOM 635 NZ LYS A 44 -3.370 -12.035 -9.065 1.00 0.00 N ATOM 0 H LYS A 44 -5.658 -6.049 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.639 -8.657 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.801 -8.075 -9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.871 -6.608 -9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.027 -8.068 -11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.834 -8.079 -10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.899 -10.277 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.421 -10.298 -11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.052 -10.417 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.423 -10.089 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.840 -12.406 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.387 -12.202 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.058 -12.520 -9.931 1.00 0.00 H new ATOM 649 N GLN A 45 -2.289 -6.368 -7.964 1.00 0.00 N ATOM 650 CA GLN A 45 -0.848 -6.240 -7.796 1.00 0.00 C ATOM 651 C GLN A 45 -0.513 -6.615 -6.357 1.00 0.00 C ATOM 652 O GLN A 45 0.262 -7.527 -6.099 1.00 0.00 O ATOM 653 CB GLN A 45 -0.352 -4.824 -8.121 1.00 0.00 C ATOM 654 CG GLN A 45 -0.507 -4.445 -9.597 1.00 0.00 C ATOM 655 CD GLN A 45 0.034 -3.046 -9.897 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.960 -2.539 -9.267 1.00 0.00 O ATOM 657 NE2 GLN A 45 -0.529 -2.368 -10.877 1.00 0.00 N ATOM 0 H GLN A 45 -2.769 -5.514 -8.248 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.342 -6.906 -8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.901 -4.107 -7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.698 -4.743 -7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.017 -5.175 -10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.560 -4.492 -9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.298 -2.780 -11.406 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.196 -1.432 -11.107 1.00 0.00 H new ATOM 666 N VAL A 46 -1.128 -5.936 -5.399 1.00 0.00 N ATOM 667 CA VAL A 46 -0.998 -6.209 -3.981 1.00 0.00 C ATOM 668 C VAL A 46 -1.199 -7.702 -3.652 1.00 0.00 C ATOM 669 O VAL A 46 -0.435 -8.226 -2.846 1.00 0.00 O ATOM 670 CB VAL A 46 -1.931 -5.289 -3.172 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.516 -5.368 -1.704 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.861 -3.817 -3.614 1.00 0.00 C ATOM 0 H VAL A 46 -1.752 -5.154 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 46 0.026 -5.983 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.953 -5.630 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.163 -4.724 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.607 -6.397 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.482 -5.040 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.541 -3.222 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.843 -3.447 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.148 -3.738 -4.662 1.00 0.00 H new ATOM 682 N GLU A 47 -2.151 -8.412 -4.262 1.00 0.00 N ATOM 683 CA GLU A 47 -2.336 -9.852 -4.062 1.00 0.00 C ATOM 684 C GLU A 47 -1.079 -10.644 -4.460 1.00 0.00 C ATOM 685 O GLU A 47 -0.731 -11.628 -3.804 1.00 0.00 O ATOM 686 CB GLU A 47 -3.583 -10.348 -4.821 1.00 0.00 C ATOM 687 CG GLU A 47 -4.891 -9.950 -4.122 1.00 0.00 C ATOM 688 CD GLU A 47 -6.138 -10.459 -4.853 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.246 -10.295 -6.092 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.034 -10.994 -4.154 1.00 0.00 O ATOM 0 H GLU A 47 -2.820 -8.001 -4.913 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.497 -10.027 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.576 -9.940 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.540 -11.433 -4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.887 -10.342 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.940 -8.864 -4.045 1.00 0.00 H new ATOM 697 N LYS A 48 -0.361 -10.217 -5.499 1.00 0.00 N ATOM 698 CA LYS A 48 0.881 -10.820 -5.968 1.00 0.00 C ATOM 699 C LYS A 48 2.017 -10.420 -5.040 1.00 0.00 C ATOM 700 O LYS A 48 2.770 -11.278 -4.585 1.00 0.00 O ATOM 701 CB LYS A 48 1.098 -10.364 -7.425 1.00 0.00 C ATOM 702 CG LYS A 48 2.508 -10.521 -8.002 1.00 0.00 C ATOM 703 CD LYS A 48 2.907 -11.975 -8.239 1.00 0.00 C ATOM 704 CE LYS A 48 3.522 -12.641 -7.000 1.00 0.00 C ATOM 705 NZ LYS A 48 4.194 -13.924 -7.283 1.00 0.00 N ATOM 0 H LYS A 48 -0.642 -9.410 -6.057 1.00 0.00 H new ATOM 0 HA LYS A 48 0.841 -11.909 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.409 -10.921 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.819 -9.313 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.570 -9.977 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.225 -10.062 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.028 -12.540 -8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.622 -12.020 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.242 -11.956 -6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.737 -12.808 -6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.584 -14.314 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.507 -14.594 -7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.965 -13.769 -7.964 1.00 0.00 H new ATOM 719 N ALA A 49 2.156 -9.134 -4.734 1.00 0.00 N ATOM 720 CA ALA A 49 3.169 -8.673 -3.802 1.00 0.00 C ATOM 721 C ALA A 49 3.038 -9.375 -2.458 1.00 0.00 C ATOM 722 O ALA A 49 4.051 -9.699 -1.837 1.00 0.00 O ATOM 723 CB ALA A 49 3.042 -7.177 -3.578 1.00 0.00 C ATOM 0 H ALA A 49 1.574 -8.392 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 49 4.141 -8.905 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.809 -6.848 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.169 -6.655 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.057 -6.953 -3.170 1.00 0.00 H new ATOM 729 N ASN A 50 1.810 -9.597 -1.988 1.00 0.00 N ATOM 730 CA ASN A 50 1.543 -10.283 -0.738 1.00 0.00 C ATOM 731 C ASN A 50 2.232 -11.644 -0.758 1.00 0.00 C ATOM 732 O ASN A 50 3.039 -11.915 0.128 1.00 0.00 O ATOM 733 CB ASN A 50 0.040 -10.368 -0.470 1.00 0.00 C ATOM 734 CG ASN A 50 -0.229 -11.236 0.736 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.111 -10.681 1.924 1.00 0.00 O flip ATOM 736 ND2 ASN A 50 -0.528 -12.418 0.602 1.00 0.00 N flip ATOM 0 H ASN A 50 0.966 -9.299 -2.477 1.00 0.00 H new ATOM 0 HA ASN A 50 1.957 -9.717 0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.364 -9.369 -0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.469 -10.778 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.612 -12.820 -0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.693 -12.999 1.424 1.00 0.00 H new ATOM 743 N GLU A 51 2.027 -12.420 -1.822 1.00 0.00 N ATOM 744 CA GLU A 51 2.655 -13.722 -2.041 1.00 0.00 C ATOM 745 C GLU A 51 4.184 -13.677 -2.145 1.00 0.00 C ATOM 746 O GLU A 51 4.835 -14.723 -2.066 1.00 0.00 O ATOM 747 CB GLU A 51 2.095 -14.343 -3.329 1.00 0.00 C ATOM 748 CG GLU A 51 0.616 -14.731 -3.211 1.00 0.00 C ATOM 749 CD GLU A 51 0.358 -16.160 -3.677 1.00 0.00 C ATOM 750 OE1 GLU A 51 0.543 -17.084 -2.859 1.00 0.00 O ATOM 751 OE2 GLU A 51 -0.012 -16.372 -4.862 1.00 0.00 O ATOM 0 H GLU A 51 1.399 -12.151 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 51 2.419 -14.321 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.215 -13.636 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.678 -15.228 -3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.296 -14.625 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.013 -14.043 -3.803 1.00 0.00 H new ATOM 758 N ALA A 52 4.781 -12.504 -2.357 1.00 0.00 N ATOM 759 CA ALA A 52 6.227 -12.361 -2.425 1.00 0.00 C ATOM 760 C ALA A 52 6.846 -12.167 -1.036 1.00 0.00 C ATOM 761 O ALA A 52 8.057 -12.323 -0.913 1.00 0.00 O ATOM 762 CB ALA A 52 6.585 -11.231 -3.394 1.00 0.00 C ATOM 0 H ALA A 52 4.272 -11.629 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 52 6.657 -13.285 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.669 -11.125 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.197 -11.465 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.145 -10.298 -3.043 1.00 0.00 H new ATOM 768 N MET A 53 6.048 -11.936 0.016 1.00 0.00 N ATOM 769 CA MET A 53 6.509 -11.584 1.368 1.00 0.00 C ATOM 770 C MET A 53 7.478 -10.392 1.288 1.00 0.00 C ATOM 771 O MET A 53 8.631 -10.445 1.732 1.00 0.00 O ATOM 772 CB MET A 53 7.115 -12.788 2.109 1.00 0.00 C ATOM 773 CG MET A 53 6.387 -14.122 1.931 1.00 0.00 C ATOM 774 SD MET A 53 4.892 -14.278 2.914 1.00 0.00 S ATOM 775 CE MET A 53 3.995 -15.491 1.919 1.00 0.00 C ATOM 0 H MET A 53 5.032 -11.991 -0.052 1.00 0.00 H new ATOM 0 HA MET A 53 5.646 -11.284 1.962 1.00 0.00 H new ATOM 0 HB2 MET A 53 8.146 -12.912 1.777 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.149 -12.555 3.173 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.132 -14.247 0.879 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.067 -14.933 2.192 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.035 -15.707 2.387 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.830 -15.090 0.919 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.579 -16.409 1.850 1.00 0.00 H new ATOM 785 N ALA A 54 7.010 -9.342 0.621 1.00 0.00 N ATOM 786 CA ALA A 54 7.741 -8.150 0.230 1.00 0.00 C ATOM 787 C ALA A 54 7.063 -6.886 0.741 1.00 0.00 C ATOM 788 O ALA A 54 7.698 -5.835 0.731 1.00 0.00 O ATOM 789 CB ALA A 54 7.771 -8.094 -1.302 1.00 0.00 C ATOM 0 H ALA A 54 6.037 -9.303 0.319 1.00 0.00 H new ATOM 0 HA ALA A 54 8.743 -8.199 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.315 -7.206 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.268 -8.984 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.751 -8.052 -1.685 1.00 0.00 H new ATOM 795 N ILE A 55 5.783 -6.952 1.106 1.00 0.00 N ATOM 796 CA ILE A 55 4.996 -5.814 1.535 1.00 0.00 C ATOM 797 C ILE A 55 5.510 -5.417 2.919 1.00 0.00 C ATOM 798 O ILE A 55 5.464 -6.204 3.867 1.00 0.00 O ATOM 799 CB ILE A 55 3.490 -6.159 1.469 1.00 0.00 C ATOM 800 CG1 ILE A 55 3.033 -6.215 0.003 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.673 -5.150 2.273 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.572 -6.642 -0.185 1.00 0.00 C ATOM 0 H ILE A 55 5.258 -7.826 1.109 1.00 0.00 H new ATOM 0 HA ILE A 55 5.105 -4.949 0.881 1.00 0.00 H new ATOM 0 HB ILE A 55 3.326 -7.140 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.173 -5.232 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.675 -6.909 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.616 -5.409 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.994 -5.169 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.825 -4.151 1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.331 -6.656 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.428 -7.638 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.918 -5.936 0.326 1.00 0.00 H new ATOM 814 N ASP A 56 6.033 -4.197 2.997 1.00 0.00 N ATOM 815 CA ASP A 56 6.506 -3.579 4.231 1.00 0.00 C ATOM 816 C ASP A 56 5.365 -2.786 4.857 1.00 0.00 C ATOM 817 O ASP A 56 4.933 -3.068 5.981 1.00 0.00 O ATOM 818 CB ASP A 56 7.691 -2.653 3.938 1.00 0.00 C ATOM 819 CG ASP A 56 8.027 -1.799 5.157 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.725 -2.290 6.077 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.585 -0.630 5.174 1.00 0.00 O ATOM 0 H ASP A 56 6.142 -3.595 2.181 1.00 0.00 H new ATOM 0 HA ASP A 56 6.837 -4.354 4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.560 -3.246 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.454 -2.009 3.091 1.00 0.00 H new ATOM 826 N THR A 57 4.819 -1.830 4.102 1.00 0.00 N ATOM 827 CA THR A 57 3.737 -0.958 4.529 1.00 0.00 C ATOM 828 C THR A 57 2.656 -0.979 3.449 1.00 0.00 C ATOM 829 O THR A 57 2.933 -0.704 2.283 1.00 0.00 O ATOM 830 CB THR A 57 4.288 0.447 4.815 1.00 0.00 C ATOM 831 OG1 THR A 57 5.292 0.378 5.807 1.00 0.00 O ATOM 832 CG2 THR A 57 3.210 1.374 5.378 1.00 0.00 C ATOM 0 H THR A 57 5.131 -1.641 3.150 1.00 0.00 H new ATOM 0 HA THR A 57 3.285 -1.302 5.459 1.00 0.00 H new ATOM 0 HB THR A 57 4.667 0.830 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.100 -0.025 5.427 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.639 2.358 5.567 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.396 1.465 4.658 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.825 0.961 6.310 1.00 0.00 H new ATOM 840 N LEU A 58 1.422 -1.278 3.851 1.00 0.00 N ATOM 841 CA LEU A 58 0.238 -1.393 3.018 1.00 0.00 C ATOM 842 C LEU A 58 -0.651 -0.203 3.344 1.00 0.00 C ATOM 843 O LEU A 58 -0.838 0.133 4.513 1.00 0.00 O ATOM 844 CB LEU A 58 -0.472 -2.700 3.399 1.00 0.00 C ATOM 845 CG LEU A 58 -1.933 -2.820 2.921 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.004 -3.232 1.450 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.663 -3.832 3.798 1.00 0.00 C ATOM 0 H LEU A 58 1.215 -1.457 4.834 1.00 0.00 H new ATOM 0 HA LEU A 58 0.476 -1.404 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.096 -3.535 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.453 -2.802 4.484 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.414 -1.846 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.047 -3.308 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.499 -2.484 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.516 -4.198 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.697 -3.922 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.171 -4.802 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.643 -3.496 4.835 1.00 0.00 H new ATOM 859 N LEU A 59 -1.212 0.398 2.299 1.00 0.00 N ATOM 860 CA LEU A 59 -2.074 1.562 2.335 1.00 0.00 C ATOM 861 C LEU A 59 -3.413 1.144 1.750 1.00 0.00 C ATOM 862 O LEU A 59 -3.449 0.633 0.631 1.00 0.00 O ATOM 863 CB LEU A 59 -1.497 2.779 1.572 1.00 0.00 C ATOM 864 CG LEU A 59 -0.079 2.701 0.987 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.211 3.970 0.173 1.00 0.00 C ATOM 866 CD2 LEU A 59 1.033 2.534 2.028 1.00 0.00 C ATOM 0 H LEU A 59 -1.064 0.060 1.348 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.173 1.896 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.178 3.002 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.525 3.632 2.249 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.069 1.804 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.217 3.914 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.512 4.055 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.134 4.843 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.999 2.488 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.021 3.382 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.872 1.613 2.588 1.00 0.00 H new ATOM 878 N ILE A 60 -4.508 1.364 2.473 1.00 0.00 N ATOM 879 CA ILE A 60 -5.835 1.166 1.919 1.00 0.00 C ATOM 880 C ILE A 60 -6.738 2.286 2.435 1.00 0.00 C ATOM 881 O ILE A 60 -6.641 2.701 3.598 1.00 0.00 O ATOM 882 CB ILE A 60 -6.325 -0.258 2.251 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.491 -0.640 1.331 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.718 -0.440 3.722 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.848 -2.125 1.398 1.00 0.00 C ATOM 0 H ILE A 60 -4.498 1.679 3.443 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.842 1.229 0.831 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.483 -0.928 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.367 -0.050 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.235 -0.380 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.053 -1.464 3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.856 -0.235 4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.525 0.249 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.680 -2.330 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.985 -2.720 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.134 -2.385 2.417 1.00 0.00 H new ATOM 897 N SER A 61 -7.614 2.768 1.567 1.00 0.00 N ATOM 898 CA SER A 61 -8.701 3.654 1.915 1.00 0.00 C ATOM 899 C SER A 61 -9.745 2.863 2.696 1.00 0.00 C ATOM 900 O SER A 61 -10.098 1.743 2.310 1.00 0.00 O ATOM 901 CB SER A 61 -9.228 4.287 0.628 1.00 0.00 C ATOM 902 OG SER A 61 -8.493 5.463 0.368 1.00 0.00 O ATOM 0 H SER A 61 -7.582 2.543 0.573 1.00 0.00 H new ATOM 0 HA SER A 61 -8.386 4.470 2.565 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.131 3.589 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.288 4.518 0.728 1.00 0.00 H new ATOM 0 HG SER A 61 -8.821 5.878 -0.457 1.00 0.00 H new ATOM 908 N ASP A 62 -10.234 3.429 3.809 1.00 0.00 N ATOM 909 CA ASP A 62 -11.229 2.757 4.639 1.00 0.00 C ATOM 910 C ASP A 62 -12.448 2.396 3.803 1.00 0.00 C ATOM 911 O ASP A 62 -12.938 1.288 3.961 1.00 0.00 O ATOM 912 CB ASP A 62 -11.596 3.503 5.934 1.00 0.00 C ATOM 913 CG ASP A 62 -12.670 4.588 5.815 1.00 0.00 C ATOM 914 OD1 ASP A 62 -13.871 4.296 5.975 1.00 0.00 O ATOM 915 OD2 ASP A 62 -12.314 5.784 5.751 1.00 0.00 O ATOM 0 H ASP A 62 -9.954 4.349 4.150 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.765 1.839 4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.931 2.770 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.691 3.961 6.332 1.00 0.00 H new ATOM 920 N GLU A 63 -12.842 3.211 2.819 1.00 0.00 N ATOM 921 CA GLU A 63 -13.976 2.894 1.944 1.00 0.00 C ATOM 922 C GLU A 63 -13.896 1.519 1.242 1.00 0.00 C ATOM 923 O GLU A 63 -14.925 0.951 0.866 1.00 0.00 O ATOM 924 CB GLU A 63 -14.177 4.031 0.922 1.00 0.00 C ATOM 925 CG GLU A 63 -12.901 4.360 0.126 1.00 0.00 C ATOM 926 CD GLU A 63 -13.196 4.942 -1.256 1.00 0.00 C ATOM 927 OE1 GLU A 63 -13.485 4.163 -2.188 1.00 0.00 O ATOM 928 OE2 GLU A 63 -13.182 6.185 -1.425 1.00 0.00 O ATOM 0 H GLU A 63 -12.389 4.100 2.608 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.846 2.814 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.969 3.751 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.513 4.926 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.298 5.070 0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.305 3.454 0.014 1.00 0.00 H new ATOM 935 N LEU A 64 -12.701 0.942 1.091 1.00 0.00 N ATOM 936 CA LEU A 64 -12.507 -0.413 0.580 1.00 0.00 C ATOM 937 C LEU A 64 -12.551 -1.418 1.729 1.00 0.00 C ATOM 938 O LEU A 64 -13.224 -2.447 1.656 1.00 0.00 O ATOM 939 CB LEU A 64 -11.153 -0.511 -0.124 1.00 0.00 C ATOM 940 CG LEU A 64 -10.958 0.481 -1.277 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.591 0.204 -1.886 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.035 0.383 -2.358 1.00 0.00 C ATOM 0 H LEU A 64 -11.827 1.414 1.325 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.305 -0.639 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.364 -0.353 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.031 -1.523 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.033 1.491 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.415 0.892 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.820 0.343 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.558 -0.821 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.832 1.114 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.030 -0.619 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.012 0.584 -1.918 1.00 0.00 H new ATOM 954 N PHE A 65 -11.856 -1.101 2.820 1.00 0.00 N ATOM 955 CA PHE A 65 -11.847 -1.860 4.060 1.00 0.00 C ATOM 956 C PHE A 65 -13.251 -2.097 4.648 1.00 0.00 C ATOM 957 O PHE A 65 -13.422 -3.029 5.438 1.00 0.00 O ATOM 958 CB PHE A 65 -10.975 -1.070 5.036 1.00 0.00 C ATOM 959 CG PHE A 65 -10.609 -1.756 6.325 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.836 -2.932 6.304 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.984 -1.159 7.545 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.419 -3.507 7.516 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.559 -1.739 8.753 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.769 -2.904 8.737 1.00 0.00 C ATOM 0 H PHE A 65 -11.261 -0.274 2.861 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.455 -2.859 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.053 -0.796 4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.492 -0.142 5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.566 -3.389 5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.591 -0.266 7.552 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.830 -4.412 7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.839 -1.290 9.695 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.430 -3.337 9.667 1.00 0.00 H new ATOM 974 N ARG A 66 -14.263 -1.303 4.278 1.00 0.00 N ATOM 975 CA ARG A 66 -15.658 -1.425 4.727 1.00 0.00 C ATOM 976 C ARG A 66 -16.642 -1.512 3.544 1.00 0.00 C ATOM 977 O ARG A 66 -17.828 -1.239 3.739 1.00 0.00 O ATOM 978 CB ARG A 66 -16.037 -0.367 5.785 1.00 0.00 C ATOM 979 CG ARG A 66 -14.965 0.652 6.158 1.00 0.00 C ATOM 980 CD ARG A 66 -15.469 1.698 7.128 1.00 0.00 C ATOM 981 NE ARG A 66 -15.751 1.215 8.486 1.00 0.00 N ATOM 982 CZ ARG A 66 -15.715 1.995 9.572 1.00 0.00 C ATOM 983 NH1 ARG A 66 -15.496 3.302 9.461 1.00 0.00 N ATOM 984 NH2 ARG A 66 -15.875 1.460 10.771 1.00 0.00 N ATOM 0 H ARG A 66 -14.128 -0.526 3.631 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.745 -2.379 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.910 0.176 5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.340 -0.889 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.114 0.133 6.599 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.606 1.143 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.730 2.497 7.191 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.379 2.138 6.721 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.987 0.230 8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.353 3.719 8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.471 3.888 10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.025 0.456 10.865 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.848 2.052 11.601 1.00 0.00 H new ATOM 998 N HIS A 67 -16.164 -1.891 2.350 1.00 0.00 N ATOM 999 CA HIS A 67 -16.907 -1.874 1.085 1.00 0.00 C ATOM 1000 C HIS A 67 -18.255 -2.591 1.215 1.00 0.00 C ATOM 1001 O HIS A 67 -18.355 -3.599 1.918 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.037 -2.521 -0.012 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.522 -2.359 -1.431 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.662 -2.936 -1.990 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.862 -1.660 -2.397 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.701 -2.503 -3.262 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.629 -1.742 -3.535 1.00 0.00 N ATOM 0 H HIS A 67 -15.209 -2.232 2.236 1.00 0.00 H new ATOM 0 HA HIS A 67 -17.126 -0.841 0.814 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.033 -2.102 0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -15.953 -3.587 0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.920 -1.143 -2.289 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.486 -2.735 -3.967 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.420 -1.301 -4.431 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.280 -2.096 0.523 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.636 -2.627 0.487 1.00 0.00 C ATOM 1017 C GLN A 68 -20.677 -4.128 0.167 1.00 0.00 C ATOM 1018 O GLN A 68 -21.322 -4.905 0.885 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.480 -1.804 -0.512 1.00 0.00 C ATOM 1020 CG GLN A 68 -20.965 -1.775 -1.968 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.765 -0.826 -2.852 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -21.446 0.352 -2.966 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -22.815 -1.314 -3.495 1.00 0.00 N ATOM 0 H GLN A 68 -19.177 -1.266 -0.060 1.00 0.00 H new ATOM 0 HA GLN A 68 -21.066 -2.530 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.495 -2.202 -0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.540 -0.778 -0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.917 -1.475 -1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -21.010 -2.781 -2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -23.066 -2.297 -3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.372 -0.707 -4.096 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.016 -4.530 -0.918 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.065 -5.859 -1.514 1.00 0.00 C ATOM 1034 C ASP A 69 -19.229 -6.780 -0.654 1.00 0.00 C ATOM 1035 O ASP A 69 -18.002 -6.659 -0.636 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.513 -5.827 -2.940 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.345 -7.222 -3.558 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.304 -8.029 -3.576 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.257 -7.479 -4.127 1.00 0.00 O ATOM 0 H ASP A 69 -19.399 -3.900 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.095 -6.211 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.181 -5.237 -3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.548 -5.320 -2.937 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.879 -7.684 0.079 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.203 -8.544 1.036 1.00 0.00 C ATOM 1046 C VAL A 70 -18.058 -9.304 0.367 1.00 0.00 C ATOM 1047 O VAL A 70 -17.040 -9.509 1.020 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.222 -9.467 1.731 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.542 -10.469 2.667 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.190 -8.651 2.588 1.00 0.00 C ATOM 0 H VAL A 70 -20.886 -7.836 0.023 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.747 -7.934 1.816 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.745 -9.996 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.297 -11.100 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.854 -11.091 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.990 -9.931 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.902 -9.321 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.631 -8.106 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.728 -7.944 1.956 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.169 -9.683 -0.907 1.00 0.00 N ATOM 1061 CA ALA A 71 -17.088 -10.354 -1.621 1.00 0.00 C ATOM 1062 C ALA A 71 -15.841 -9.459 -1.719 1.00 0.00 C ATOM 1063 O ALA A 71 -14.792 -9.789 -1.163 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.565 -10.805 -3.000 1.00 0.00 C ATOM 0 H ALA A 71 -19.007 -9.533 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.800 -11.240 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.749 -11.304 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.400 -11.496 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.887 -9.937 -3.576 1.00 0.00 H new ATOM 1070 N THR A 72 -15.948 -8.320 -2.403 1.00 0.00 N ATOM 1071 CA THR A 72 -14.880 -7.337 -2.555 1.00 0.00 C ATOM 1072 C THR A 72 -14.345 -6.873 -1.202 1.00 0.00 C ATOM 1073 O THR A 72 -13.130 -6.893 -1.007 1.00 0.00 O ATOM 1074 CB THR A 72 -15.384 -6.217 -3.476 1.00 0.00 C ATOM 1075 OG1 THR A 72 -15.311 -6.737 -4.793 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.625 -4.896 -3.446 1.00 0.00 C ATOM 0 H THR A 72 -16.808 -8.049 -2.881 1.00 0.00 H new ATOM 0 HA THR A 72 -14.007 -7.780 -3.035 1.00 0.00 H new ATOM 0 HB THR A 72 -16.382 -5.956 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.172 -7.137 -5.035 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.086 -4.196 -4.142 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.657 -4.481 -2.439 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.588 -5.066 -3.735 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.199 -6.548 -0.225 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.716 -6.235 1.110 1.00 0.00 C ATOM 1086 C ARG A 73 -13.895 -7.392 1.669 1.00 0.00 C ATOM 1087 O ARG A 73 -12.791 -7.165 2.159 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.880 -5.888 2.039 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.293 -5.217 3.279 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.282 -5.102 4.429 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.527 -4.890 5.673 1.00 0.00 N ATOM 1092 CZ ARG A 73 -15.782 -5.434 6.859 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -16.888 -6.130 7.060 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -14.913 -5.318 7.848 1.00 0.00 N ATOM 0 H ARG A 73 -16.212 -6.497 -0.337 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.067 -5.362 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.584 -5.222 1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.432 -6.787 2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.424 -5.784 3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.941 -4.221 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.969 -4.273 4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.886 -6.007 4.502 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.726 -4.261 5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.557 -6.255 6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.072 -6.542 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.041 -4.809 7.704 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.114 -5.738 8.756 1.00 0.00 H new ATOM 1108 N SER A 74 -14.411 -8.621 1.594 1.00 0.00 N ATOM 1109 CA SER A 74 -13.718 -9.783 2.124 1.00 0.00 C ATOM 1110 C SER A 74 -12.329 -9.941 1.502 1.00 0.00 C ATOM 1111 O SER A 74 -11.434 -10.394 2.205 1.00 0.00 O ATOM 1112 CB SER A 74 -14.551 -11.061 1.975 1.00 0.00 C ATOM 1113 OG SER A 74 -15.760 -10.932 2.713 1.00 0.00 O ATOM 0 H SER A 74 -15.313 -8.831 1.167 1.00 0.00 H new ATOM 0 HA SER A 74 -13.580 -9.614 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.773 -11.242 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.984 -11.920 2.334 1.00 0.00 H new ATOM 0 HG SER A 74 -16.317 -10.234 2.309 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.101 -9.536 0.246 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.760 -9.540 -0.347 1.00 0.00 C ATOM 1121 C ARG A 75 -9.888 -8.563 0.406 1.00 0.00 C ATOM 1122 O ARG A 75 -8.867 -8.966 0.953 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.790 -9.150 -1.827 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.307 -10.274 -2.730 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.026 -9.656 -3.928 1.00 0.00 C ATOM 1126 NE ARG A 75 -11.795 -10.385 -5.181 1.00 0.00 N ATOM 1127 CZ ARG A 75 -12.257 -9.993 -6.376 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -13.148 -9.005 -6.462 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -11.815 -10.598 -7.471 1.00 0.00 N ATOM 0 H ARG A 75 -12.832 -9.200 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.361 -10.552 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.421 -8.270 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.786 -8.869 -2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.479 -10.897 -3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.987 -10.921 -2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.096 -9.626 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.695 -8.624 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.248 -11.245 -5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.481 -8.544 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.496 -8.710 -7.374 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.132 -11.352 -7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.158 -10.309 -8.387 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.282 -7.288 0.452 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.480 -6.269 1.098 1.00 0.00 C ATOM 1145 C TYR A 76 -9.122 -6.646 2.527 1.00 0.00 C ATOM 1146 O TYR A 76 -7.937 -6.632 2.848 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.196 -4.922 1.051 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.373 -4.391 -0.358 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.264 -4.213 -1.211 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.661 -4.089 -0.824 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.440 -3.725 -2.518 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.837 -3.567 -2.112 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.734 -3.388 -2.970 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.932 -2.884 -4.215 1.00 0.00 O ATOM 0 H TYR A 76 -11.153 -6.946 0.047 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.543 -6.187 0.547 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.174 -5.021 1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.632 -4.197 1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.272 -4.453 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.518 -4.259 -0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.589 -3.609 -3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.827 -3.299 -2.450 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.887 -2.713 -4.350 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.094 -6.987 3.377 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.817 -7.308 4.779 1.00 0.00 C ATOM 1166 C VAL A 77 -8.921 -8.541 4.890 1.00 0.00 C ATOM 1167 O VAL A 77 -8.026 -8.553 5.736 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.107 -7.462 5.610 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.041 -6.270 5.382 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.879 -8.751 5.303 1.00 0.00 C ATOM 0 H VAL A 77 -11.079 -7.048 3.119 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.277 -6.462 5.204 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.783 -7.506 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.945 -6.397 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.537 -5.351 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.306 -6.212 4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.775 -8.795 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.164 -8.762 4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.247 -9.613 5.517 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.127 -9.556 4.037 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.301 -10.754 4.033 1.00 0.00 C ATOM 1182 C ARG A 78 -6.875 -10.412 3.668 1.00 0.00 C ATOM 1183 O ARG A 78 -5.953 -10.861 4.332 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.816 -11.790 3.037 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.857 -12.733 3.657 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.886 -13.928 2.722 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.805 -15.001 3.102 1.00 0.00 N ATOM 1188 CZ ARG A 78 -10.693 -16.245 2.620 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -9.680 -16.575 1.822 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -11.589 -17.168 2.934 1.00 0.00 N ATOM 0 H ARG A 78 -9.869 -9.562 3.337 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.345 -11.173 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.257 -11.279 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.978 -12.376 2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.575 -13.026 4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.835 -12.257 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.153 -13.580 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.879 -14.341 2.657 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.558 -14.794 3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.979 -15.877 1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.604 -17.526 1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.370 -16.933 3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.498 -18.114 2.563 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.692 -9.622 2.621 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.386 -9.265 2.112 1.00 0.00 C ATOM 1206 C LEU A 79 -4.661 -8.331 3.078 1.00 0.00 C ATOM 1207 O LEU A 79 -3.443 -8.413 3.210 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.584 -8.646 0.731 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.262 -8.415 -0.007 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.522 -9.710 -0.348 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.580 -7.618 -1.264 1.00 0.00 C ATOM 0 H LEU A 79 -7.462 -9.207 2.096 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.749 -10.145 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.220 -9.298 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.109 -7.696 0.835 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.583 -7.868 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.595 -9.473 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.294 -10.251 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.150 -10.330 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.661 -7.432 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.273 -8.183 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.035 -6.667 -0.987 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.380 -7.441 3.761 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.862 -6.672 4.892 1.00 0.00 C ATOM 1225 C VAL A 80 -4.386 -7.657 5.973 1.00 0.00 C ATOM 1226 O VAL A 80 -3.271 -7.541 6.479 1.00 0.00 O ATOM 1227 CB VAL A 80 -5.936 -5.683 5.404 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.512 -4.990 6.699 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.282 -4.589 4.380 1.00 0.00 C ATOM 0 H VAL A 80 -6.354 -7.231 3.541 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.009 -6.064 4.591 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.816 -6.302 5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.298 -4.306 7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.344 -5.738 7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.592 -4.431 6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.041 -3.927 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.387 -4.013 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.664 -5.051 3.470 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.209 -8.648 6.321 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.880 -9.672 7.306 1.00 0.00 C ATOM 1241 C ASP A 81 -3.639 -10.455 6.875 1.00 0.00 C ATOM 1242 O ASP A 81 -2.769 -10.685 7.707 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.066 -10.626 7.523 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.828 -10.375 8.826 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -6.314 -10.760 9.904 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -7.962 -9.837 8.779 1.00 0.00 O ATOM 0 H ASP A 81 -6.139 -8.761 5.917 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.665 -9.174 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.756 -10.530 6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.700 -11.653 7.519 1.00 0.00 H new ATOM 1251 N SER A 82 -3.534 -10.839 5.602 1.00 0.00 N ATOM 1252 CA SER A 82 -2.432 -11.604 5.037 1.00 0.00 C ATOM 1253 C SER A 82 -1.157 -10.772 4.949 1.00 0.00 C ATOM 1254 O SER A 82 -0.068 -11.329 4.937 1.00 0.00 O ATOM 1255 CB SER A 82 -2.810 -12.070 3.630 1.00 0.00 C ATOM 1256 OG SER A 82 -3.830 -13.045 3.654 1.00 0.00 O ATOM 0 H SER A 82 -4.248 -10.613 4.910 1.00 0.00 H new ATOM 0 HA SER A 82 -2.245 -12.455 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.140 -11.214 3.041 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.929 -12.478 3.134 1.00 0.00 H new ATOM 0 HG SER A 82 -4.684 -12.620 3.877 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.243 -9.448 4.869 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.066 -8.608 5.008 1.00 0.00 C ATOM 1264 C VAL A 83 0.430 -8.706 6.446 1.00 0.00 C ATOM 1265 O VAL A 83 1.634 -8.842 6.646 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.427 -7.184 4.549 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.456 -6.095 5.156 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.335 -7.153 3.017 1.00 0.00 C ATOM 0 H VAL A 83 -2.112 -8.939 4.709 1.00 0.00 H new ATOM 0 HA VAL A 83 0.761 -8.933 4.376 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.435 -6.962 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.139 -5.121 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.365 -6.116 6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.495 -6.270 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.586 -6.155 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.679 -7.406 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.033 -7.876 2.596 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.462 -8.686 7.442 1.00 0.00 N ATOM 1279 CA LYS A 84 -0.033 -8.868 8.822 1.00 0.00 C ATOM 1280 C LYS A 84 0.566 -10.257 9.025 1.00 0.00 C ATOM 1281 O LYS A 84 1.585 -10.340 9.707 1.00 0.00 O ATOM 1282 CB LYS A 84 -1.169 -8.610 9.810 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.719 -7.182 9.722 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.572 -6.898 10.956 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.032 -5.443 10.996 1.00 0.00 C ATOM 1286 NZ LYS A 84 -3.414 -5.061 12.365 1.00 0.00 N ATOM 0 H LYS A 84 -1.465 -8.548 7.318 1.00 0.00 H new ATOM 0 HA LYS A 84 0.742 -8.128 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.976 -9.318 9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.813 -8.796 10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.899 -6.467 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.315 -7.064 8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.441 -7.556 10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.999 -7.124 11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.233 -4.793 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.879 -5.304 10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.724 -4.068 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.191 -5.670 12.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.597 -5.174 12.998 1.00 0.00 H new ATOM 1300 N GLU A 85 -0.009 -11.308 8.425 1.00 0.00 N ATOM 1301 CA GLU A 85 0.580 -12.650 8.425 1.00 0.00 C ATOM 1302 C GLU A 85 2.039 -12.567 7.973 1.00 0.00 C ATOM 1303 O GLU A 85 2.928 -13.046 8.673 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.191 -13.629 7.530 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.616 -13.937 7.994 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.663 -14.736 9.289 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -1.679 -14.121 10.380 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -1.730 -15.982 9.219 1.00 0.00 O ATOM 0 H GLU A 85 -0.897 -11.249 7.926 1.00 0.00 H new ATOM 0 HA GLU A 85 0.523 -13.035 9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.233 -13.220 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.367 -14.563 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.157 -13.001 8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.134 -14.493 7.212 1.00 0.00 H new ATOM 1315 N ASN A 86 2.276 -11.871 6.858 1.00 0.00 N ATOM 1316 CA ASN A 86 3.541 -11.782 6.127 1.00 0.00 C ATOM 1317 C ASN A 86 4.442 -10.695 6.729 1.00 0.00 C ATOM 1318 O ASN A 86 5.292 -10.126 6.038 1.00 0.00 O ATOM 1319 CB ASN A 86 3.263 -11.537 4.627 1.00 0.00 C ATOM 1320 CG ASN A 86 2.410 -12.631 3.984 1.00 0.00 C ATOM 1321 OD1 ASN A 86 1.941 -13.573 4.615 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.154 -12.536 2.693 1.00 0.00 N ATOM 0 H ASN A 86 1.542 -11.320 6.414 1.00 0.00 H new ATOM 0 HA ASN A 86 4.077 -12.727 6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.760 -10.577 4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.212 -11.466 4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.574 -13.239 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.536 -11.759 2.153 1.00 0.00 H new ATOM 1329 N ALA A 87 4.257 -10.404 8.017 1.00 0.00 N ATOM 1330 CA ALA A 87 5.021 -9.498 8.860 1.00 0.00 C ATOM 1331 C ALA A 87 4.950 -8.012 8.463 1.00 0.00 C ATOM 1332 O ALA A 87 5.833 -7.231 8.828 1.00 0.00 O ATOM 1333 CB ALA A 87 6.457 -10.016 9.040 1.00 0.00 C ATOM 0 H ALA A 87 3.497 -10.839 8.540 1.00 0.00 H new ATOM 0 HA ALA A 87 4.531 -9.505 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.016 -9.327 9.673 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.433 -11.000 9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.942 -10.089 8.067 1.00 0.00 H new ATOM 1339 N GLY A 88 3.916 -7.594 7.732 1.00 0.00 N ATOM 1340 CA GLY A 88 3.746 -6.221 7.277 1.00 0.00 C ATOM 1341 C GLY A 88 2.890 -5.372 8.223 1.00 0.00 C ATOM 1342 O GLY A 88 2.086 -5.870 9.023 1.00 0.00 O ATOM 0 H GLY A 88 3.162 -8.214 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.726 -5.757 7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.286 -6.227 6.289 1.00 0.00 H new ATOM 1346 N THR A 89 3.051 -4.056 8.101 1.00 0.00 N ATOM 1347 CA THR A 89 2.276 -3.006 8.760 1.00 0.00 C ATOM 1348 C THR A 89 0.970 -2.736 7.998 1.00 0.00 C ATOM 1349 O THR A 89 0.856 -3.075 6.822 1.00 0.00 O ATOM 1350 CB THR A 89 3.198 -1.772 8.777 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.342 -2.081 9.548 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.592 -0.488 9.340 1.00 0.00 C ATOM 0 H THR A 89 3.776 -3.668 7.498 1.00 0.00 H new ATOM 0 HA THR A 89 1.976 -3.285 9.770 1.00 0.00 H new ATOM 0 HB THR A 89 3.414 -1.564 7.729 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.942 -1.306 9.568 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.332 0.311 9.301 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.722 -0.206 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.289 -0.652 10.374 1.00 0.00 H new ATOM 1360 N VAL A 90 -0.006 -2.066 8.611 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.236 -1.629 7.952 1.00 0.00 C ATOM 1362 C VAL A 90 -1.435 -0.126 8.212 1.00 0.00 C ATOM 1363 O VAL A 90 -0.932 0.428 9.198 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.395 -2.536 8.430 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.765 -2.098 7.899 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.155 -3.999 8.011 1.00 0.00 C ATOM 0 H VAL A 90 0.037 -1.807 9.597 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.193 -1.736 6.868 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.408 -2.445 9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.533 -2.776 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.980 -1.085 8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.757 -2.122 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.983 -4.617 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.087 -4.060 6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.225 -4.356 8.453 1.00 0.00 H new ATOM 1376 N ARG A 91 -2.139 0.553 7.303 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.437 1.981 7.320 1.00 0.00 C ATOM 1378 C ARG A 91 -3.873 2.120 6.822 1.00 0.00 C ATOM 1379 O ARG A 91 -4.207 1.505 5.808 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.466 2.721 6.374 1.00 0.00 C ATOM 1381 CG ARG A 91 0.035 2.552 6.660 1.00 0.00 C ATOM 1382 CD ARG A 91 0.456 3.528 7.753 1.00 0.00 C ATOM 1383 NE ARG A 91 1.801 3.284 8.273 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.089 2.796 9.480 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.163 2.197 10.225 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.333 2.911 9.912 1.00 0.00 N ATOM 0 H ARG A 91 -2.539 0.089 6.487 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.324 2.409 8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.659 2.384 5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.702 3.785 6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.244 1.528 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.612 2.734 5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.407 4.543 7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.258 3.469 8.575 1.00 0.00 H new ATOM 0 HE ARG A 91 2.586 3.506 7.660 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.209 2.103 9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.407 1.831 11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.036 3.362 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.589 2.549 10.831 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.717 2.884 7.517 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.141 3.029 7.204 1.00 0.00 C ATOM 1402 C ILE A 92 -6.384 4.501 6.879 1.00 0.00 C ATOM 1403 O ILE A 92 -6.364 5.340 7.785 1.00 0.00 O ATOM 1404 CB ILE A 92 -7.055 2.555 8.367 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.668 1.219 9.034 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.519 2.517 7.893 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.735 0.001 8.120 1.00 0.00 C ATOM 0 H ILE A 92 -4.426 3.430 8.328 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.395 2.395 6.355 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.914 3.294 9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.654 1.306 9.426 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.326 1.052 9.887 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.158 2.184 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.825 3.514 7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.612 1.826 7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.446 -0.889 8.678 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.752 -0.119 7.748 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.055 0.139 7.279 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.608 4.831 5.611 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.780 6.211 5.169 1.00 0.00 C ATOM 1421 C PHE A 93 -8.270 6.549 5.256 1.00 0.00 C ATOM 1422 O PHE A 93 -9.104 5.648 5.193 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.311 6.351 3.713 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.818 6.322 3.436 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.929 5.448 4.096 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.327 7.157 2.421 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.560 5.464 3.785 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -2.966 7.148 2.092 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.077 6.309 2.776 1.00 0.00 C ATOM 0 H PHE A 93 -6.676 4.146 4.858 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.195 6.885 5.794 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.773 5.550 3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.704 7.291 3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.303 4.764 4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.003 7.811 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.877 4.824 4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.599 7.792 1.306 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.026 6.313 2.528 1.00 0.00 H new ATOM 1439 N SER A 94 -8.615 7.831 5.400 1.00 0.00 N ATOM 1440 CA SER A 94 -10.000 8.288 5.350 1.00 0.00 C ATOM 1441 C SER A 94 -10.266 8.936 4.001 1.00 0.00 C ATOM 1442 O SER A 94 -9.388 9.628 3.486 1.00 0.00 O ATOM 1443 CB SER A 94 -10.278 9.281 6.480 1.00 0.00 C ATOM 1444 OG SER A 94 -10.152 8.635 7.732 1.00 0.00 O ATOM 0 H SER A 94 -7.939 8.579 5.554 1.00 0.00 H new ATOM 0 HA SER A 94 -10.664 7.433 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.581 10.117 6.421 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.281 9.694 6.374 1.00 0.00 H new ATOM 0 HG SER A 94 -10.330 9.277 8.451 1.00 0.00 H new ATOM 1450 N SER A 95 -11.488 8.781 3.486 1.00 0.00 N ATOM 1451 CA SER A 95 -11.915 9.392 2.236 1.00 0.00 C ATOM 1452 C SER A 95 -11.827 10.927 2.327 1.00 0.00 C ATOM 1453 O SER A 95 -11.479 11.595 1.359 1.00 0.00 O ATOM 1454 CB SER A 95 -13.345 8.930 1.924 1.00 0.00 C ATOM 1455 OG SER A 95 -13.771 9.406 0.667 1.00 0.00 O ATOM 0 H SER A 95 -12.213 8.221 3.934 1.00 0.00 H new ATOM 0 HA SER A 95 -11.256 9.079 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.389 7.841 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.023 9.286 2.700 1.00 0.00 H new ATOM 0 HG SER A 95 -14.684 9.096 0.492 1.00 0.00 H new ATOM 1461 N LEU A 96 -12.110 11.475 3.518 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.062 12.906 3.825 1.00 0.00 C ATOM 1463 C LEU A 96 -10.663 13.499 3.667 1.00 0.00 C ATOM 1464 O LEU A 96 -10.520 14.716 3.541 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.467 13.134 5.294 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.911 12.759 5.661 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.100 12.912 7.173 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -14.910 13.645 4.914 1.00 0.00 C ATOM 0 H LEU A 96 -12.388 10.910 4.321 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.742 13.389 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.791 12.561 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.314 14.186 5.533 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.094 11.725 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.123 12.647 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.406 12.253 7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.905 13.945 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.926 13.361 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.740 14.688 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.777 13.518 3.840 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.626 12.673 3.792 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.259 13.116 3.830 1.00 0.00 C ATOM 1482 C HIS A 97 -7.736 13.316 2.408 1.00 0.00 C ATOM 1483 O HIS A 97 -8.070 12.538 1.514 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.455 12.055 4.597 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.199 12.635 5.159 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.917 12.239 4.886 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.146 13.753 5.937 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.103 13.153 5.429 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.798 14.083 6.108 1.00 0.00 N ATOM 0 H HIS A 97 -9.728 11.661 3.870 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.164 14.077 4.337 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.063 11.646 5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.211 11.227 3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.991 14.287 6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.027 13.145 5.334 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.420 14.868 6.639 1.00 0.00 H new ATOM 1497 N VAL A 98 -6.831 14.282 2.210 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.208 14.537 0.908 1.00 0.00 C ATOM 1499 C VAL A 98 -5.595 13.249 0.349 1.00 0.00 C ATOM 1500 O VAL A 98 -5.654 12.986 -0.851 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.167 15.677 1.033 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -3.739 15.206 1.366 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.080 16.486 -0.258 1.00 0.00 C ATOM 0 H VAL A 98 -6.511 14.908 2.949 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.968 14.864 0.199 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.533 16.277 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.078 16.070 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.743 14.676 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.384 14.538 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.342 17.279 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.783 15.832 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.053 16.925 -0.478 1.00 0.00 H new ATOM 1513 N SER A 99 -5.014 12.435 1.231 1.00 0.00 N ATOM 1514 CA SER A 99 -4.335 11.207 0.885 1.00 0.00 C ATOM 1515 C SER A 99 -5.318 10.118 0.438 1.00 0.00 C ATOM 1516 O SER A 99 -4.889 9.204 -0.257 1.00 0.00 O ATOM 1517 CB SER A 99 -3.510 10.770 2.095 1.00 0.00 C ATOM 1518 OG SER A 99 -2.733 11.853 2.580 1.00 0.00 O ATOM 0 H SER A 99 -5.008 12.627 2.233 1.00 0.00 H new ATOM 0 HA SER A 99 -3.677 11.376 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.171 10.407 2.882 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.858 9.941 1.819 1.00 0.00 H new ATOM 0 HG SER A 99 -1.816 11.774 2.243 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.607 10.210 0.782 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.655 9.360 0.236 1.00 0.00 C ATOM 1526 C GLY A 100 -7.947 9.780 -1.200 1.00 0.00 C ATOM 1527 O GLY A 100 -8.002 8.926 -2.088 1.00 0.00 O ATOM 0 H GLY A 100 -6.951 10.891 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.344 8.316 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.558 9.441 0.842 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.054 11.089 -1.456 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.217 11.612 -2.814 1.00 0.00 C ATOM 1533 C GLU A 101 -7.022 11.206 -3.688 1.00 0.00 C ATOM 1534 O GLU A 101 -7.181 10.928 -4.881 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.377 13.143 -2.828 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.397 13.680 -1.815 1.00 0.00 C ATOM 1537 CD GLU A 101 -9.883 15.080 -2.193 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -9.124 16.062 -2.010 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.027 15.201 -2.695 1.00 0.00 O ATOM 0 H GLU A 101 -8.030 11.809 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.131 11.178 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.408 13.600 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.676 13.456 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.248 13.001 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.946 13.706 -0.823 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.825 11.149 -3.096 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.644 10.606 -3.731 1.00 0.00 C ATOM 1548 C GLN A 102 -4.793 9.104 -3.976 1.00 0.00 C ATOM 1549 O GLN A 102 -4.668 8.679 -5.121 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.388 10.952 -2.947 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.097 12.456 -2.884 1.00 0.00 C ATOM 1552 CD GLN A 102 -3.683 13.317 -4.003 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -3.242 13.240 -5.150 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -4.686 14.119 -3.685 1.00 0.00 N ATOM 0 H GLN A 102 -5.658 11.487 -2.148 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.536 11.073 -4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.486 10.567 -1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.536 10.445 -3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.470 12.835 -1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.016 12.593 -2.880 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.024 14.156 -2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.121 14.700 -4.401 1.00 0.00 H new ATOM 1563 N LEU A 103 -5.075 8.291 -2.948 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.089 6.838 -3.090 1.00 0.00 C ATOM 1565 C LEU A 103 -6.086 6.383 -4.145 1.00 0.00 C ATOM 1566 O LEU A 103 -5.860 5.368 -4.789 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.416 6.133 -1.757 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.729 4.767 -1.585 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.214 4.773 -1.722 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.042 4.202 -0.199 1.00 0.00 C ATOM 0 H LEU A 103 -5.296 8.622 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.083 6.558 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.121 6.782 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.495 5.997 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.128 4.163 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.832 3.762 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.940 5.131 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.783 5.430 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.554 3.235 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.676 4.888 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.120 4.080 -0.091 1.00 0.00 H new ATOM 1582 N SER A 104 -7.179 7.116 -4.331 1.00 0.00 N ATOM 1583 CA SER A 104 -8.225 6.799 -5.292 1.00 0.00 C ATOM 1584 C SER A 104 -7.693 6.756 -6.734 1.00 0.00 C ATOM 1585 O SER A 104 -8.125 5.902 -7.509 1.00 0.00 O ATOM 1586 CB SER A 104 -9.341 7.830 -5.162 1.00 0.00 C ATOM 1587 OG SER A 104 -10.562 7.280 -5.621 1.00 0.00 O ATOM 0 H SER A 104 -7.365 7.969 -3.803 1.00 0.00 H new ATOM 0 HA SER A 104 -8.608 5.803 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.441 8.141 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.094 8.721 -5.739 1.00 0.00 H new ATOM 0 HG SER A 104 -11.275 7.947 -5.533 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.699 7.589 -7.084 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.990 7.512 -8.370 1.00 0.00 C ATOM 1595 C GLN A 105 -5.328 6.142 -8.560 1.00 0.00 C ATOM 1596 O GLN A 105 -5.068 5.726 -9.686 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.910 8.604 -8.430 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.451 10.004 -8.727 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.411 11.089 -8.452 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -3.431 11.243 -9.188 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -4.583 11.831 -7.368 1.00 0.00 N ATOM 0 H GLN A 105 -6.364 8.338 -6.479 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.720 7.658 -9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.378 8.626 -7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.182 8.338 -9.196 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.764 10.058 -9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.336 10.187 -8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.400 11.686 -6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.898 12.547 -7.126 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.087 5.427 -7.465 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.489 4.110 -7.382 1.00 0.00 C ATOM 1612 C LEU A 106 -5.547 3.096 -6.901 1.00 0.00 C ATOM 1613 O LEU A 106 -5.225 2.124 -6.222 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.279 4.173 -6.435 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.229 5.267 -6.711 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.304 5.360 -5.497 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.402 4.986 -7.973 1.00 0.00 C ATOM 0 H LEU A 106 -5.326 5.788 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.138 3.781 -8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.651 4.309 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.776 3.206 -6.463 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.752 6.208 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.552 6.129 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.888 5.617 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.812 4.400 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.678 5.788 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.876 4.038 -7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.064 4.932 -8.837 1.00 0.00 H new ATOM 1629 N THR A 107 -6.822 3.342 -7.219 1.00 0.00 N ATOM 1630 CA THR A 107 -8.016 2.559 -6.880 1.00 0.00 C ATOM 1631 C THR A 107 -8.332 2.499 -5.373 1.00 0.00 C ATOM 1632 O THR A 107 -9.327 1.881 -4.978 1.00 0.00 O ATOM 1633 CB THR A 107 -8.032 1.180 -7.586 1.00 0.00 C ATOM 1634 OG1 THR A 107 -7.441 0.148 -6.817 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.360 1.172 -8.964 1.00 0.00 C ATOM 0 H THR A 107 -7.067 4.166 -7.768 1.00 0.00 H new ATOM 0 HA THR A 107 -8.858 3.116 -7.290 1.00 0.00 H new ATOM 0 HB THR A 107 -9.098 0.988 -7.709 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.602 0.470 -6.427 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.414 0.170 -9.390 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.872 1.874 -9.622 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.316 1.466 -8.861 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.520 3.156 -4.545 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.588 3.266 -3.098 1.00 0.00 C ATOM 1645 C GLY A 108 -6.872 2.132 -2.363 1.00 0.00 C ATOM 1646 O GLY A 108 -7.074 2.008 -1.157 1.00 0.00 O ATOM 0 H GLY A 108 -6.722 3.673 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.152 4.217 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.634 3.282 -2.792 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.033 1.318 -3.020 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.199 0.335 -2.320 1.00 0.00 C ATOM 1652 C VAL A 109 -3.809 0.286 -2.961 1.00 0.00 C ATOM 1653 O VAL A 109 -3.691 0.204 -4.186 1.00 0.00 O ATOM 1654 CB VAL A 109 -5.916 -1.033 -2.281 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.070 -1.658 -3.667 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.217 -2.035 -1.353 1.00 0.00 C ATOM 0 H VAL A 109 -5.915 1.322 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.050 0.630 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.908 -0.819 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.580 -2.617 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.654 -0.993 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.085 -1.810 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.761 -2.980 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.197 -2.200 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.196 -1.638 -0.338 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.749 0.315 -2.152 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.373 0.191 -2.615 1.00 0.00 C ATOM 1668 C ALA A 110 -0.477 -0.345 -1.493 1.00 0.00 C ATOM 1669 O ALA A 110 -0.932 -0.467 -0.360 1.00 0.00 O ATOM 1670 CB ALA A 110 -0.905 1.558 -3.122 1.00 0.00 C ATOM 0 H ALA A 110 -2.828 0.427 -1.141 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.311 -0.525 -3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.124 1.483 -3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.546 1.880 -3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.960 2.285 -2.312 1.00 0.00 H new ATOM 1676 N ALA A 111 0.789 -0.665 -1.765 1.00 0.00 N ATOM 1677 CA ALA A 111 1.760 -1.043 -0.745 1.00 0.00 C ATOM 1678 C ALA A 111 3.186 -0.763 -1.228 1.00 0.00 C ATOM 1679 O ALA A 111 3.483 -0.918 -2.415 1.00 0.00 O ATOM 1680 CB ALA A 111 1.632 -2.532 -0.398 1.00 0.00 C ATOM 0 H ALA A 111 1.170 -0.668 -2.711 1.00 0.00 H new ATOM 0 HA ALA A 111 1.555 -0.447 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.366 -2.792 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.629 -2.733 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.810 -3.130 -1.292 1.00 0.00 H new ATOM 1686 N ILE A 112 4.063 -0.400 -0.293 1.00 0.00 N ATOM 1687 CA ILE A 112 5.498 -0.272 -0.487 1.00 0.00 C ATOM 1688 C ILE A 112 6.103 -1.658 -0.318 1.00 0.00 C ATOM 1689 O ILE A 112 5.708 -2.419 0.577 1.00 0.00 O ATOM 1690 CB ILE A 112 6.104 0.695 0.552 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.448 2.081 0.437 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.626 0.807 0.342 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.900 3.054 1.525 1.00 0.00 C ATOM 0 H ILE A 112 3.775 -0.179 0.660 1.00 0.00 H new ATOM 0 HA ILE A 112 5.711 0.130 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 112 5.913 0.303 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.680 2.505 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.365 1.968 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.046 1.491 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.083 -0.176 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.828 1.185 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.400 4.013 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.644 2.649 2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.979 3.195 1.462 1.00 0.00 H new ATOM 1705 N LEU A 113 7.094 -1.955 -1.155 1.00 0.00 N ATOM 1706 CA LEU A 113 7.741 -3.250 -1.218 1.00 0.00 C ATOM 1707 C LEU A 113 9.200 -3.079 -0.851 1.00 0.00 C ATOM 1708 O LEU A 113 9.841 -2.101 -1.236 1.00 0.00 O ATOM 1709 CB LEU A 113 7.588 -3.852 -2.618 1.00 0.00 C ATOM 1710 CG LEU A 113 6.106 -3.959 -3.009 1.00 0.00 C ATOM 1711 CD1 LEU A 113 5.888 -3.928 -4.504 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.451 -5.222 -2.482 1.00 0.00 C ATOM 0 H LEU A 113 7.474 -1.282 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 113 7.273 -3.938 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.116 -3.234 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.048 -4.840 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 113 5.647 -3.083 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.822 -4.007 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.271 -2.991 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.414 -4.764 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.405 -5.245 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.966 -6.094 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.511 -5.236 -1.394 1.00 0.00 H new ATOM 1724 N ARG A 114 9.733 -4.052 -0.123 1.00 0.00 N ATOM 1725 CA ARG A 114 11.127 -4.067 0.293 1.00 0.00 C ATOM 1726 C ARG A 114 12.038 -4.231 -0.914 1.00 0.00 C ATOM 1727 O ARG A 114 13.071 -3.568 -0.995 1.00 0.00 O ATOM 1728 CB ARG A 114 11.342 -5.178 1.334 1.00 0.00 C ATOM 1729 CG ARG A 114 10.496 -4.872 2.574 1.00 0.00 C ATOM 1730 CD ARG A 114 10.788 -5.750 3.787 1.00 0.00 C ATOM 1731 NE ARG A 114 10.194 -5.119 4.977 1.00 0.00 N ATOM 1732 CZ ARG A 114 9.478 -5.688 5.953 1.00 0.00 C ATOM 1733 NH1 ARG A 114 9.262 -7.001 5.992 1.00 0.00 N ATOM 1734 NH2 ARG A 114 8.966 -4.903 6.894 1.00 0.00 N ATOM 0 H ARG A 114 9.202 -4.862 0.198 1.00 0.00 H new ATOM 0 HA ARG A 114 11.382 -3.116 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 114 11.061 -6.145 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.396 -5.242 1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.651 -3.830 2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.443 -4.978 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 114 10.373 -6.747 3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.864 -5.868 3.918 1.00 0.00 H new ATOM 0 HE ARG A 114 10.349 -4.115 5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.647 -7.603 5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.712 -7.405 6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 114 9.123 -3.896 6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.415 -5.307 7.651 1.00 0.00 H new ATOM 1748 N PHE A 115 11.656 -5.084 -1.859 1.00 0.00 N ATOM 1749 CA PHE A 115 12.439 -5.461 -3.023 1.00 0.00 C ATOM 1750 C PHE A 115 11.506 -5.451 -4.235 1.00 0.00 C ATOM 1751 O PHE A 115 10.291 -5.572 -4.056 1.00 0.00 O ATOM 1752 CB PHE A 115 13.077 -6.841 -2.791 1.00 0.00 C ATOM 1753 CG PHE A 115 12.153 -7.900 -2.217 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.317 -8.666 -3.055 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.134 -8.113 -0.826 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.529 -9.689 -2.499 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.296 -9.091 -0.270 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.527 -9.909 -1.111 1.00 0.00 C ATOM 0 H PHE A 115 10.750 -5.551 -1.830 1.00 0.00 H new ATOM 0 HA PHE A 115 13.254 -4.760 -3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.472 -7.204 -3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.926 -6.721 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.282 -8.468 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.768 -7.520 -0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.922 -10.309 -3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.243 -9.214 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.933 -10.708 -0.692 1.00 0.00 H new ATOM 1768 N PRO A 116 12.043 -5.298 -5.456 1.00 0.00 N ATOM 1769 CA PRO A 116 11.259 -5.355 -6.671 1.00 0.00 C ATOM 1770 C PRO A 116 10.818 -6.802 -6.890 1.00 0.00 C ATOM 1771 O PRO A 116 11.635 -7.711 -7.063 1.00 0.00 O ATOM 1772 CB PRO A 116 12.154 -4.807 -7.777 1.00 0.00 C ATOM 1773 CG PRO A 116 13.568 -5.095 -7.290 1.00 0.00 C ATOM 1774 CD PRO A 116 13.455 -5.171 -5.768 1.00 0.00 C ATOM 0 HA PRO A 116 10.346 -4.760 -6.639 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.954 -5.296 -8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 116 11.994 -3.739 -7.927 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.945 -6.030 -7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.258 -4.309 -7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.014 -6.023 -5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.874 -4.278 -5.305 1.00 0.00 H new ATOM 1782 N VAL A 117 9.514 -7.015 -6.811 1.00 0.00 N ATOM 1783 CA VAL A 117 8.837 -8.267 -7.075 1.00 0.00 C ATOM 1784 C VAL A 117 9.028 -8.545 -8.575 1.00 0.00 C ATOM 1785 O VAL A 117 8.804 -7.641 -9.384 1.00 0.00 O ATOM 1786 CB VAL A 117 7.336 -8.136 -6.723 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.582 -9.461 -6.928 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.045 -7.672 -5.281 1.00 0.00 C ATOM 0 H VAL A 117 8.866 -6.274 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 117 9.239 -9.083 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 117 6.988 -7.364 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.532 -9.326 -6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.663 -9.768 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 117 7.017 -10.230 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.967 -7.610 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.470 -8.386 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.491 -6.691 -5.117 1.00 0.00 H new