USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 834 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 79 THR OG1 : rot 69:sc= 0.229 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -6.35! C(o=-7.2!,f=-18!) USER MOD Set 1.3: A 102 HIS : no HD1:sc= -1.12 K(o=-7.2,f=-5.1) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.341 USER MOD Set 2.2: A 25 ASN : amide:sc= -2.1 K(o=-2.4,f=-7.2!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=-0.00999 X(o=-0.01,f=-0.05) USER MOD Single : A 44 CYS SG : rot 30:sc= -2.85! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 177:sc= -0.418 USER MOD Single : A 52 SER OG : rot -97:sc= -0.0666 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 143:sc= 0.941 (180deg=-0.319) USER MOD Single : A 64 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.7!) USER MOD Single : A 65 SER OG : rot -35:sc= 0.0191 USER MOD Single : A 72 ASN : amide:sc= -0.0221 K(o=-0.022,f=-2!) USER MOD Single : A 73 GLN : amide:sc=-0.000324 X(o=-0.00032,f=0) USER MOD Single : A 75 ASN : amide:sc= -3.52! C(o=-3.5!,f=-5.8!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.24) USER MOD Single : A 95 ASN : amide:sc= -0.104 K(o=-0.1,f=-2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0.278 K(o=0.28,f=-4.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 176:sc= -0.834! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 173:sc=-0.00707 (180deg=-0.107) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0217 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -24:sc= 0.724 USER MOD Single : A 126 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.57) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 1.113 10.023 6.190 1.00 0.00 N ATOM 259 CA PRO A 21 1.092 8.978 5.181 1.00 0.00 C ATOM 260 C PRO A 21 0.503 7.684 5.744 1.00 0.00 C ATOM 261 O PRO A 21 1.217 6.697 5.919 1.00 0.00 O ATOM 262 CB PRO A 21 2.539 8.830 4.739 1.00 0.00 C ATOM 263 CG PRO A 21 3.377 9.462 5.838 1.00 0.00 C ATOM 264 CD PRO A 21 2.448 10.274 6.725 1.00 0.00 C ATOM 0 HA PRO A 21 0.453 9.224 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.800 7.781 4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.708 9.327 3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.885 8.693 6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.150 10.100 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.522 9.962 7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.695 11.335 6.691 1.00 0.00 H new ATOM 272 N THR A 22 -0.794 7.729 6.013 1.00 0.00 N ATOM 273 CA THR A 22 -1.487 6.572 6.553 1.00 0.00 C ATOM 274 C THR A 22 -2.619 6.143 5.617 1.00 0.00 C ATOM 275 O THR A 22 -3.177 6.967 4.894 1.00 0.00 O ATOM 276 CB THR A 22 -1.965 6.922 7.964 1.00 0.00 C ATOM 277 OG1 THR A 22 -2.832 8.036 7.770 1.00 0.00 O ATOM 278 CG2 THR A 22 -0.840 7.474 8.842 1.00 0.00 C ATOM 0 H THR A 22 -1.383 8.549 5.867 1.00 0.00 H new ATOM 0 HA THR A 22 -0.822 5.711 6.624 1.00 0.00 H new ATOM 0 HB THR A 22 -2.391 6.036 8.434 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.189 8.327 8.635 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.232 7.706 9.832 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.049 6.729 8.930 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.437 8.380 8.390 1.00 0.00 H new ATOM 286 N LEU A 23 -2.924 4.855 5.661 1.00 0.00 N ATOM 287 CA LEU A 23 -3.979 4.307 4.826 1.00 0.00 C ATOM 288 C LEU A 23 -5.225 5.187 4.943 1.00 0.00 C ATOM 289 O LEU A 23 -5.770 5.634 3.935 1.00 0.00 O ATOM 290 CB LEU A 23 -4.230 2.838 5.174 1.00 0.00 C ATOM 291 CG LEU A 23 -4.474 1.900 3.990 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.553 2.460 3.061 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.171 1.609 3.244 1.00 0.00 C ATOM 0 H LEU A 23 -2.459 4.175 6.262 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.678 4.316 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.373 2.467 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.093 2.785 5.838 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.843 0.950 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.707 1.774 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.485 2.575 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.236 3.430 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.372 0.940 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.750 2.542 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.461 1.137 3.923 1.00 0.00 H new ATOM 305 N GLU A 24 -5.639 5.410 6.181 1.00 0.00 N ATOM 306 CA GLU A 24 -6.811 6.229 6.443 1.00 0.00 C ATOM 307 C GLU A 24 -6.669 7.591 5.760 1.00 0.00 C ATOM 308 O GLU A 24 -7.659 8.289 5.547 1.00 0.00 O ATOM 309 CB GLU A 24 -7.042 6.392 7.946 1.00 0.00 C ATOM 310 CG GLU A 24 -8.174 5.482 8.428 1.00 0.00 C ATOM 311 CD GLU A 24 -9.466 6.275 8.632 1.00 0.00 C ATOM 312 OE1 GLU A 24 -9.386 7.326 9.304 1.00 0.00 O ATOM 313 OE2 GLU A 24 -10.504 5.812 8.112 1.00 0.00 O ATOM 0 H GLU A 24 -5.184 5.038 7.015 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.683 5.724 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.125 6.156 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.285 7.431 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.342 4.688 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.886 5.002 9.363 1.00 0.00 H new ATOM 320 N ASN A 25 -5.429 7.929 5.436 1.00 0.00 N ATOM 321 CA ASN A 25 -5.146 9.195 4.781 1.00 0.00 C ATOM 322 C ASN A 25 -4.371 8.933 3.488 1.00 0.00 C ATOM 323 O ASN A 25 -3.313 9.519 3.264 1.00 0.00 O ATOM 324 CB ASN A 25 -4.287 10.095 5.672 1.00 0.00 C ATOM 325 CG ASN A 25 -4.810 10.101 7.110 1.00 0.00 C ATOM 326 OD1 ASN A 25 -5.889 9.617 7.408 1.00 0.00 O ATOM 327 ND2 ASN A 25 -3.986 10.675 7.982 1.00 0.00 N ATOM 0 H ASN A 25 -4.610 7.348 5.615 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.096 9.689 4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.254 9.747 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.287 11.111 5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.244 10.729 8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.096 11.061 7.665 1.00 0.00 H new ATOM 334 N LEU A 26 -4.928 8.052 2.670 1.00 0.00 N ATOM 335 CA LEU A 26 -4.303 7.705 1.405 1.00 0.00 C ATOM 336 C LEU A 26 -4.636 8.777 0.366 1.00 0.00 C ATOM 337 O LEU A 26 -3.820 9.079 -0.504 1.00 0.00 O ATOM 338 CB LEU A 26 -4.702 6.291 0.980 1.00 0.00 C ATOM 339 CG LEU A 26 -3.550 5.322 0.705 1.00 0.00 C ATOM 340 CD1 LEU A 26 -4.067 4.004 0.127 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.494 5.968 -0.194 1.00 0.00 C ATOM 0 H LEU A 26 -5.806 7.568 2.859 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.218 7.687 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.332 5.863 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.313 6.362 0.080 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.066 5.088 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.228 3.334 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.752 3.539 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.591 4.198 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.686 5.259 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.948 6.250 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.094 6.856 0.295 1.00 0.00 H new ATOM 353 N GLU A 27 -5.837 9.323 0.490 1.00 0.00 N ATOM 354 CA GLU A 27 -6.288 10.355 -0.428 1.00 0.00 C ATOM 355 C GLU A 27 -5.611 11.688 -0.103 1.00 0.00 C ATOM 356 O GLU A 27 -5.347 12.489 -0.998 1.00 0.00 O ATOM 357 CB GLU A 27 -7.812 10.492 -0.393 1.00 0.00 C ATOM 358 CG GLU A 27 -8.485 9.286 -1.051 1.00 0.00 C ATOM 359 CD GLU A 27 -9.755 9.706 -1.795 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.213 10.840 -1.540 1.00 0.00 O ATOM 361 OE2 GLU A 27 -10.238 8.882 -2.602 1.00 0.00 O ATOM 0 H GLU A 27 -6.511 9.070 1.212 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.005 10.063 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.149 10.583 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.111 11.405 -0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.792 8.812 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.732 8.544 -0.292 1.00 0.00 H new ATOM 368 N ASN A 28 -5.349 11.885 1.181 1.00 0.00 N ATOM 369 CA ASN A 28 -4.707 13.107 1.635 1.00 0.00 C ATOM 370 C ASN A 28 -3.262 12.801 2.032 1.00 0.00 C ATOM 371 O ASN A 28 -2.719 13.426 2.942 1.00 0.00 O ATOM 372 CB ASN A 28 -5.422 13.682 2.860 1.00 0.00 C ATOM 373 CG ASN A 28 -6.582 14.588 2.442 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.402 15.732 2.057 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.778 14.016 2.540 1.00 0.00 N ATOM 0 H ASN A 28 -5.570 11.219 1.921 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.746 13.831 0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.797 12.869 3.482 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.714 14.247 3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.616 14.539 2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.858 13.054 2.870 1.00 0.00 H new ATOM 382 N LEU A 29 -2.679 11.841 1.330 1.00 0.00 N ATOM 383 CA LEU A 29 -1.307 11.445 1.597 1.00 0.00 C ATOM 384 C LEU A 29 -0.400 11.982 0.488 1.00 0.00 C ATOM 385 O LEU A 29 -0.829 12.121 -0.656 1.00 0.00 O ATOM 386 CB LEU A 29 -1.214 9.930 1.787 1.00 0.00 C ATOM 387 CG LEU A 29 -0.031 9.239 1.104 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.274 9.520 1.852 1.00 0.00 C ATOM 389 CD2 LEU A 29 -0.289 7.740 0.945 1.00 0.00 C ATOM 0 H LEU A 29 -3.132 11.325 0.576 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.960 11.883 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.164 9.720 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.135 9.480 1.417 1.00 0.00 H new ATOM 0 HG LEU A 29 0.076 9.655 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.099 9.018 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.459 10.594 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.195 9.149 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.567 7.273 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.437 7.290 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.181 7.587 0.338 1.00 0.00 H new ATOM 401 N ASP A 30 0.837 12.270 0.866 1.00 0.00 N ATOM 402 CA ASP A 30 1.807 12.790 -0.082 1.00 0.00 C ATOM 403 C ASP A 30 2.888 11.735 -0.328 1.00 0.00 C ATOM 404 O ASP A 30 3.903 11.707 0.365 1.00 0.00 O ATOM 405 CB ASP A 30 2.489 14.047 0.461 1.00 0.00 C ATOM 406 CG ASP A 30 3.719 14.507 -0.325 1.00 0.00 C ATOM 407 OD1 ASP A 30 3.884 14.011 -1.461 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.465 15.343 0.227 1.00 0.00 O ATOM 0 H ASP A 30 1.189 12.153 1.816 1.00 0.00 H new ATOM 0 HA ASP A 30 1.280 13.036 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.762 14.859 0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.784 13.864 1.494 1.00 0.00 H new ATOM 413 N VAL A 31 2.632 10.892 -1.319 1.00 0.00 N ATOM 414 CA VAL A 31 3.570 9.838 -1.665 1.00 0.00 C ATOM 415 C VAL A 31 4.954 10.449 -1.895 1.00 0.00 C ATOM 416 O VAL A 31 5.970 9.822 -1.599 1.00 0.00 O ATOM 417 CB VAL A 31 3.054 9.055 -2.874 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.539 10.001 -3.961 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.135 8.123 -3.425 1.00 0.00 C ATOM 0 H VAL A 31 1.789 10.918 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 31 3.661 9.124 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 31 2.218 8.439 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.178 9.419 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.724 10.604 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.348 10.655 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.743 7.578 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.000 8.711 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.434 7.415 -2.652 1.00 0.00 H new ATOM 429 N SER A 32 4.950 11.665 -2.422 1.00 0.00 N ATOM 430 CA SER A 32 6.192 12.367 -2.695 1.00 0.00 C ATOM 431 C SER A 32 6.871 12.759 -1.381 1.00 0.00 C ATOM 432 O SER A 32 7.997 13.255 -1.384 1.00 0.00 O ATOM 433 CB SER A 32 5.947 13.607 -3.556 1.00 0.00 C ATOM 434 OG SER A 32 6.973 13.796 -4.526 1.00 0.00 O ATOM 0 H SER A 32 4.106 12.182 -2.667 1.00 0.00 H new ATOM 0 HA SER A 32 6.848 11.697 -3.250 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.985 13.514 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.888 14.487 -2.915 1.00 0.00 H new ATOM 0 HG SER A 32 6.779 14.597 -5.056 1.00 0.00 H new ATOM 440 N ALA A 33 6.159 12.521 -0.289 1.00 0.00 N ATOM 441 CA ALA A 33 6.678 12.844 1.029 1.00 0.00 C ATOM 442 C ALA A 33 7.713 11.792 1.435 1.00 0.00 C ATOM 443 O ALA A 33 8.799 12.133 1.901 1.00 0.00 O ATOM 444 CB ALA A 33 5.521 12.938 2.025 1.00 0.00 C ATOM 0 H ALA A 33 5.226 12.108 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 33 7.178 13.813 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.911 13.180 3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.829 13.718 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.997 11.983 2.066 1.00 0.00 H new ATOM 450 N PHE A 34 7.339 10.536 1.244 1.00 0.00 N ATOM 451 CA PHE A 34 8.221 9.432 1.585 1.00 0.00 C ATOM 452 C PHE A 34 9.636 9.678 1.056 1.00 0.00 C ATOM 453 O PHE A 34 9.826 9.893 -0.139 1.00 0.00 O ATOM 454 CB PHE A 34 7.650 8.180 0.918 1.00 0.00 C ATOM 455 CG PHE A 34 6.288 7.749 1.465 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.180 7.304 2.746 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.185 7.812 0.672 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.916 6.904 3.254 1.00 0.00 C ATOM 459 CE2 PHE A 34 3.921 7.412 1.180 1.00 0.00 C ATOM 460 CZ PHE A 34 3.813 6.966 2.461 1.00 0.00 C ATOM 0 H PHE A 34 6.437 10.258 0.857 1.00 0.00 H new ATOM 0 HA PHE A 34 8.280 9.324 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.559 8.361 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.357 7.360 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.056 7.255 3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.271 8.166 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.830 6.550 4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.045 7.462 0.550 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.852 6.661 2.848 1.00 0.00 H new ATOM 470 N GLN A 35 10.591 9.636 1.973 1.00 0.00 N ATOM 471 CA GLN A 35 11.983 9.851 1.614 1.00 0.00 C ATOM 472 C GLN A 35 12.623 8.538 1.162 1.00 0.00 C ATOM 473 O GLN A 35 13.805 8.503 0.824 1.00 0.00 O ATOM 474 CB GLN A 35 12.760 10.469 2.778 1.00 0.00 C ATOM 475 CG GLN A 35 11.923 11.529 3.497 1.00 0.00 C ATOM 476 CD GLN A 35 12.700 12.145 4.662 1.00 0.00 C ATOM 477 OE1 GLN A 35 13.269 11.458 5.494 1.00 0.00 O ATOM 478 NE2 GLN A 35 12.691 13.475 4.674 1.00 0.00 N ATOM 0 H GLN A 35 10.429 9.456 2.964 1.00 0.00 H new ATOM 0 HA GLN A 35 12.019 10.555 0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.048 9.689 3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.681 10.918 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.637 12.310 2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.001 11.080 3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.194 13.988 3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.181 13.982 5.411 1.00 0.00 H new ATOM 487 N ALA A 36 11.815 7.488 1.172 1.00 0.00 N ATOM 488 CA ALA A 36 12.288 6.175 0.767 1.00 0.00 C ATOM 489 C ALA A 36 13.164 6.316 -0.479 1.00 0.00 C ATOM 490 O ALA A 36 13.124 7.340 -1.159 1.00 0.00 O ATOM 491 CB ALA A 36 11.092 5.249 0.537 1.00 0.00 C ATOM 0 H ALA A 36 10.835 7.520 1.454 1.00 0.00 H new ATOM 0 HA ALA A 36 12.899 5.729 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.447 4.264 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.519 5.159 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.457 5.663 -0.246 1.00 0.00 H new ATOM 497 N PRO A 37 13.956 5.243 -0.749 1.00 0.00 N ATOM 498 CA PRO A 37 14.841 5.237 -1.901 1.00 0.00 C ATOM 499 C PRO A 37 14.054 5.025 -3.196 1.00 0.00 C ATOM 500 O PRO A 37 12.896 4.611 -3.162 1.00 0.00 O ATOM 501 CB PRO A 37 15.840 4.126 -1.624 1.00 0.00 C ATOM 502 CG PRO A 37 15.204 3.249 -0.558 1.00 0.00 C ATOM 503 CD PRO A 37 14.030 4.013 0.034 1.00 0.00 C ATOM 0 HA PRO A 37 15.353 6.189 -2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.048 3.553 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.791 4.533 -1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.867 2.306 -0.990 1.00 0.00 H new ATOM 0 HG3 PRO A 37 15.930 3.003 0.217 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.106 3.440 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.188 4.225 1.091 1.00 0.00 H new ATOM 511 N GLU A 38 14.714 5.317 -4.307 1.00 0.00 N ATOM 512 CA GLU A 38 14.090 5.163 -5.610 1.00 0.00 C ATOM 513 C GLU A 38 14.190 3.710 -6.078 1.00 0.00 C ATOM 514 O GLU A 38 13.847 3.396 -7.217 1.00 0.00 O ATOM 515 CB GLU A 38 14.716 6.113 -6.633 1.00 0.00 C ATOM 516 CG GLU A 38 14.142 7.524 -6.494 1.00 0.00 C ATOM 517 CD GLU A 38 13.369 7.928 -7.752 1.00 0.00 C ATOM 518 OE1 GLU A 38 12.608 7.071 -8.250 1.00 0.00 O ATOM 519 OE2 GLU A 38 13.557 9.085 -8.187 1.00 0.00 O ATOM 0 H GLU A 38 15.675 5.659 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 38 13.035 5.423 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.797 6.141 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.533 5.740 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.482 7.568 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.950 8.233 -6.316 1.00 0.00 H new ATOM 526 N ASP A 39 14.662 2.862 -5.176 1.00 0.00 N ATOM 527 CA ASP A 39 14.812 1.450 -5.482 1.00 0.00 C ATOM 528 C ASP A 39 14.333 0.620 -4.290 1.00 0.00 C ATOM 529 O ASP A 39 14.728 -0.534 -4.133 1.00 0.00 O ATOM 530 CB ASP A 39 16.277 1.096 -5.746 1.00 0.00 C ATOM 531 CG ASP A 39 17.179 2.285 -6.083 1.00 0.00 C ATOM 532 OD1 ASP A 39 16.777 3.069 -6.969 1.00 0.00 O ATOM 533 OD2 ASP A 39 18.251 2.382 -5.447 1.00 0.00 O ATOM 0 H ASP A 39 14.946 3.126 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 39 14.222 1.234 -6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.678 0.593 -4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.320 0.382 -6.568 1.00 0.00 H new ATOM 538 N LEU A 40 13.488 1.240 -3.479 1.00 0.00 N ATOM 539 CA LEU A 40 12.950 0.574 -2.305 1.00 0.00 C ATOM 540 C LEU A 40 12.532 -0.850 -2.680 1.00 0.00 C ATOM 541 O LEU A 40 13.080 -1.819 -2.158 1.00 0.00 O ATOM 542 CB LEU A 40 11.824 1.403 -1.687 1.00 0.00 C ATOM 543 CG LEU A 40 11.213 0.850 -0.397 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.271 0.730 0.702 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.017 1.693 0.049 1.00 0.00 C ATOM 0 H LEU A 40 13.163 2.197 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 40 13.713 0.490 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.206 2.404 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.030 1.508 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 40 10.841 -0.155 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.811 0.335 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.062 0.056 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.694 1.713 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.602 1.278 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.341 2.718 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.255 1.684 -0.730 1.00 0.00 H new ATOM 557 N LEU A 41 11.564 -0.930 -3.581 1.00 0.00 N ATOM 558 CA LEU A 41 11.065 -2.219 -4.031 1.00 0.00 C ATOM 559 C LEU A 41 11.666 -2.543 -5.400 1.00 0.00 C ATOM 560 O LEU A 41 10.960 -2.994 -6.300 1.00 0.00 O ATOM 561 CB LEU A 41 9.535 -2.238 -4.010 1.00 0.00 C ATOM 562 CG LEU A 41 8.866 -1.298 -3.006 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.557 -0.739 -3.566 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.662 -1.993 -1.657 1.00 0.00 C ATOM 0 H LEU A 41 11.112 -0.124 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 41 11.380 -3.009 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.175 -1.988 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.207 -3.256 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 41 9.531 -0.451 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.102 -0.074 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.761 -0.184 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.874 -1.560 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.185 -1.303 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.028 -2.869 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.628 -2.302 -1.257 1.00 0.00 H new ATOM 576 N ASP A 42 12.964 -2.301 -5.513 1.00 0.00 N ATOM 577 CA ASP A 42 13.668 -2.563 -6.757 1.00 0.00 C ATOM 578 C ASP A 42 13.302 -3.960 -7.262 1.00 0.00 C ATOM 579 O ASP A 42 13.372 -4.932 -6.512 1.00 0.00 O ATOM 580 CB ASP A 42 15.184 -2.516 -6.552 1.00 0.00 C ATOM 581 CG ASP A 42 16.003 -3.249 -7.617 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.058 -4.495 -7.533 1.00 0.00 O ATOM 583 OD2 ASP A 42 16.556 -2.546 -8.490 1.00 0.00 O ATOM 0 H ASP A 42 13.546 -1.927 -4.764 1.00 0.00 H new ATOM 0 HA ASP A 42 13.377 -1.798 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.500 -1.473 -6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.417 -2.944 -5.577 1.00 0.00 H new ATOM 588 N GLY A 43 12.919 -4.014 -8.529 1.00 0.00 N ATOM 589 CA GLY A 43 12.542 -5.276 -9.143 1.00 0.00 C ATOM 590 C GLY A 43 11.551 -6.040 -8.262 1.00 0.00 C ATOM 591 O GLY A 43 11.671 -7.252 -8.092 1.00 0.00 O ATOM 0 H GLY A 43 12.862 -3.205 -9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.097 -5.090 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.431 -5.884 -9.308 1.00 0.00 H new ATOM 595 N CYS A 44 10.593 -5.298 -7.725 1.00 0.00 N ATOM 596 CA CYS A 44 9.582 -5.890 -6.866 1.00 0.00 C ATOM 597 C CYS A 44 8.221 -5.733 -7.547 1.00 0.00 C ATOM 598 O CYS A 44 7.675 -4.633 -7.605 1.00 0.00 O ATOM 599 CB CYS A 44 9.594 -5.270 -5.467 1.00 0.00 C ATOM 600 SG CYS A 44 11.258 -5.437 -4.723 1.00 0.00 S ATOM 0 H CYS A 44 10.496 -4.293 -7.868 1.00 0.00 H new ATOM 0 HA CYS A 44 9.797 -6.949 -6.725 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.316 -4.218 -5.524 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.853 -5.761 -4.836 1.00 0.00 H new ATOM 0 HG CYS A 44 12.155 -5.441 -5.664 1.00 0.00 H new ATOM 606 N ARG A 45 7.712 -6.851 -8.046 1.00 0.00 N ATOM 607 CA ARG A 45 6.425 -6.851 -8.721 1.00 0.00 C ATOM 608 C ARG A 45 5.296 -7.069 -7.711 1.00 0.00 C ATOM 609 O ARG A 45 5.135 -8.168 -7.183 1.00 0.00 O ATOM 610 CB ARG A 45 6.364 -7.945 -9.789 1.00 0.00 C ATOM 611 CG ARG A 45 7.295 -7.621 -10.959 1.00 0.00 C ATOM 612 CD ARG A 45 7.518 -8.853 -11.839 1.00 0.00 C ATOM 613 NE ARG A 45 8.968 -9.094 -12.014 1.00 0.00 N ATOM 614 CZ ARG A 45 9.767 -8.343 -12.783 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.262 -7.298 -13.453 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.070 -8.636 -12.883 1.00 0.00 N ATOM 0 H ARG A 45 8.168 -7.762 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 45 6.303 -5.881 -9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.645 -8.903 -9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.341 -8.048 -10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.868 -6.815 -11.556 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.252 -7.263 -10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.048 -9.725 -11.384 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.045 -8.707 -12.810 1.00 0.00 H new ATOM 0 HE ARG A 45 9.385 -9.882 -11.518 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.270 -7.075 -13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.870 -6.726 -14.039 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.454 -9.432 -12.373 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.678 -8.064 -13.469 1.00 0.00 H new ATOM 630 N ILE A 46 4.544 -6.005 -7.475 1.00 0.00 N ATOM 631 CA ILE A 46 3.434 -6.066 -6.538 1.00 0.00 C ATOM 632 C ILE A 46 2.118 -5.914 -7.303 1.00 0.00 C ATOM 633 O ILE A 46 2.097 -5.378 -8.410 1.00 0.00 O ATOM 634 CB ILE A 46 3.619 -5.037 -5.421 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.039 -5.090 -4.856 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.561 -5.217 -4.330 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.689 -3.705 -4.875 1.00 0.00 C ATOM 0 H ILE A 46 4.681 -5.095 -7.916 1.00 0.00 H new ATOM 0 HA ILE A 46 3.405 -7.037 -6.044 1.00 0.00 H new ATOM 0 HB ILE A 46 3.479 -4.043 -5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.014 -5.470 -3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.641 -5.786 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.715 -4.473 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.568 -5.090 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.646 -6.216 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.698 -3.771 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.735 -3.339 -5.901 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.098 -3.017 -4.270 1.00 0.00 H new ATOM 649 N TYR A 47 1.051 -6.396 -6.682 1.00 0.00 N ATOM 650 CA TYR A 47 -0.266 -6.321 -7.291 1.00 0.00 C ATOM 651 C TYR A 47 -1.227 -5.510 -6.419 1.00 0.00 C ATOM 652 O TYR A 47 -1.426 -5.826 -5.247 1.00 0.00 O ATOM 653 CB TYR A 47 -0.772 -7.762 -7.381 1.00 0.00 C ATOM 654 CG TYR A 47 -2.113 -7.907 -8.103 1.00 0.00 C ATOM 655 CD1 TYR A 47 -3.256 -7.362 -7.552 1.00 0.00 C ATOM 656 CD2 TYR A 47 -2.181 -8.581 -9.305 1.00 0.00 C ATOM 657 CE1 TYR A 47 -4.518 -7.498 -8.232 1.00 0.00 C ATOM 658 CE2 TYR A 47 -3.443 -8.717 -9.985 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.549 -8.169 -9.414 1.00 0.00 C ATOM 660 OH TYR A 47 -5.742 -8.298 -10.056 1.00 0.00 O ATOM 0 H TYR A 47 1.072 -6.840 -5.764 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.211 -5.835 -8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.026 -8.367 -7.897 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.868 -8.166 -6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.203 -6.834 -6.611 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.287 -9.007 -9.736 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.420 -7.076 -7.813 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.510 -9.242 -10.926 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.613 -8.799 -10.888 1.00 0.00 H new ATOM 670 N LEU A 48 -1.798 -4.479 -7.025 1.00 0.00 N ATOM 671 CA LEU A 48 -2.733 -3.620 -6.319 1.00 0.00 C ATOM 672 C LEU A 48 -4.158 -4.133 -6.541 1.00 0.00 C ATOM 673 O LEU A 48 -4.541 -4.443 -7.668 1.00 0.00 O ATOM 674 CB LEU A 48 -2.535 -2.160 -6.731 1.00 0.00 C ATOM 675 CG LEU A 48 -1.205 -1.523 -6.322 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.070 -0.114 -6.904 1.00 0.00 C ATOM 677 CD2 LEU A 48 -1.036 -1.533 -4.801 1.00 0.00 C ATOM 0 H LEU A 48 -1.631 -4.219 -7.997 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.545 -3.653 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.629 -2.093 -7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.345 -1.569 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.397 -2.123 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.116 0.316 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.113 -0.164 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.884 0.511 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.083 -1.075 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.848 -0.971 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.056 -2.561 -4.439 1.00 0.00 H new ATOM 689 N CYS A 49 -4.903 -4.206 -5.448 1.00 0.00 N ATOM 690 CA CYS A 49 -6.276 -4.676 -5.509 1.00 0.00 C ATOM 691 C CYS A 49 -7.034 -4.101 -4.311 1.00 0.00 C ATOM 692 O CYS A 49 -6.559 -4.173 -3.178 1.00 0.00 O ATOM 693 CB CYS A 49 -6.350 -6.204 -5.550 1.00 0.00 C ATOM 694 SG CYS A 49 -7.704 -6.735 -6.661 1.00 0.00 S ATOM 0 H CYS A 49 -4.582 -3.947 -4.515 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.740 -4.330 -6.432 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.401 -6.613 -5.898 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.517 -6.595 -4.547 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.717 -8.033 -6.740 1.00 0.00 H new ATOM 700 N GLY A 50 -8.201 -3.544 -4.601 1.00 0.00 N ATOM 701 CA GLY A 50 -9.029 -2.956 -3.562 1.00 0.00 C ATOM 702 C GLY A 50 -8.996 -1.428 -3.633 1.00 0.00 C ATOM 703 O GLY A 50 -9.712 -0.753 -2.895 1.00 0.00 O ATOM 0 H GLY A 50 -8.593 -3.488 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.056 -3.306 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.680 -3.286 -2.584 1.00 0.00 H new ATOM 707 N PHE A 51 -8.157 -0.927 -4.528 1.00 0.00 N ATOM 708 CA PHE A 51 -8.021 0.509 -4.704 1.00 0.00 C ATOM 709 C PHE A 51 -8.641 0.959 -6.028 1.00 0.00 C ATOM 710 O PHE A 51 -9.219 0.152 -6.754 1.00 0.00 O ATOM 711 CB PHE A 51 -6.523 0.817 -4.725 1.00 0.00 C ATOM 712 CG PHE A 51 -5.758 0.270 -3.519 1.00 0.00 C ATOM 713 CD1 PHE A 51 -6.218 0.500 -2.260 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.617 -0.447 -3.705 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.508 -0.007 -1.140 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.907 -0.955 -2.585 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.367 -0.725 -1.326 1.00 0.00 C ATOM 0 H PHE A 51 -7.565 -1.490 -5.139 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.533 1.033 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.090 0.402 -5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.385 1.897 -4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.124 1.069 -2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.251 -0.630 -4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.873 0.177 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.001 -1.524 -2.733 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.827 -1.112 -0.474 1.00 0.00 H new ATOM 727 N SER A 52 -8.501 2.248 -6.302 1.00 0.00 N ATOM 728 CA SER A 52 -9.040 2.816 -7.526 1.00 0.00 C ATOM 729 C SER A 52 -9.296 4.313 -7.340 1.00 0.00 C ATOM 730 O SER A 52 -10.135 4.707 -6.532 1.00 0.00 O ATOM 731 CB SER A 52 -10.330 2.105 -7.942 1.00 0.00 C ATOM 732 OG SER A 52 -11.144 1.777 -6.819 1.00 0.00 O ATOM 0 H SER A 52 -8.022 2.915 -5.697 1.00 0.00 H new ATOM 0 HA SER A 52 -8.307 2.675 -8.320 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.892 2.743 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.083 1.195 -8.489 1.00 0.00 H new ATOM 0 HG SER A 52 -10.981 0.847 -6.557 1.00 0.00 H new ATOM 738 N GLY A 53 -8.556 5.106 -8.101 1.00 0.00 N ATOM 739 CA GLY A 53 -8.692 6.551 -8.030 1.00 0.00 C ATOM 740 C GLY A 53 -7.487 7.182 -7.329 1.00 0.00 C ATOM 741 O GLY A 53 -6.477 7.474 -7.967 1.00 0.00 O ATOM 0 H GLY A 53 -7.860 4.775 -8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.788 6.961 -9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.605 6.808 -7.493 1.00 0.00 H new ATOM 745 N ARG A 54 -7.634 7.373 -6.026 1.00 0.00 N ATOM 746 CA ARG A 54 -6.571 7.963 -5.232 1.00 0.00 C ATOM 747 C ARG A 54 -5.766 6.870 -4.526 1.00 0.00 C ATOM 748 O ARG A 54 -4.590 6.669 -4.826 1.00 0.00 O ATOM 749 CB ARG A 54 -7.135 8.927 -4.186 1.00 0.00 C ATOM 750 CG ARG A 54 -7.550 10.251 -4.829 1.00 0.00 C ATOM 751 CD ARG A 54 -7.829 11.314 -3.764 1.00 0.00 C ATOM 752 NE ARG A 54 -9.251 11.722 -3.816 1.00 0.00 N ATOM 753 CZ ARG A 54 -9.727 12.856 -3.284 1.00 0.00 C ATOM 754 NH1 ARG A 54 -8.898 13.702 -2.657 1.00 0.00 N ATOM 755 NH2 ARG A 54 -11.032 13.145 -3.380 1.00 0.00 N ATOM 0 H ARG A 54 -8.474 7.129 -5.501 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.921 8.518 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.995 8.473 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.387 9.112 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.761 10.598 -5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.441 10.100 -5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.591 10.921 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.187 12.180 -3.926 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.910 11.101 -4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.904 13.483 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.261 14.565 -2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.663 12.502 -3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.394 14.008 -2.975 1.00 0.00 H new ATOM 769 N LYS A 55 -6.431 6.192 -3.603 1.00 0.00 N ATOM 770 CA LYS A 55 -5.792 5.124 -2.852 1.00 0.00 C ATOM 771 C LYS A 55 -4.961 4.264 -3.806 1.00 0.00 C ATOM 772 O LYS A 55 -3.850 3.855 -3.470 1.00 0.00 O ATOM 773 CB LYS A 55 -6.832 4.332 -2.057 1.00 0.00 C ATOM 774 CG LYS A 55 -7.657 5.256 -1.160 1.00 0.00 C ATOM 775 CD LYS A 55 -8.157 4.514 0.081 1.00 0.00 C ATOM 776 CE LYS A 55 -7.751 5.248 1.360 1.00 0.00 C ATOM 777 NZ LYS A 55 -8.941 5.538 2.191 1.00 0.00 N ATOM 0 H LYS A 55 -7.406 6.361 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.105 5.535 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.492 3.801 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.333 3.579 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.052 6.110 -0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.506 5.649 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.242 4.420 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.750 3.503 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.044 4.641 1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.242 6.178 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.648 6.036 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.602 6.135 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.411 4.646 2.448 1.00 0.00 H new ATOM 791 N LEU A 56 -5.530 4.014 -4.975 1.00 0.00 N ATOM 792 CA LEU A 56 -4.855 3.209 -5.980 1.00 0.00 C ATOM 793 C LEU A 56 -3.655 3.985 -6.526 1.00 0.00 C ATOM 794 O LEU A 56 -2.508 3.638 -6.248 1.00 0.00 O ATOM 795 CB LEU A 56 -5.842 2.762 -7.060 1.00 0.00 C ATOM 796 CG LEU A 56 -5.240 2.460 -8.434 1.00 0.00 C ATOM 797 CD1 LEU A 56 -5.216 3.715 -9.309 1.00 0.00 C ATOM 798 CD2 LEU A 56 -3.853 1.828 -8.299 1.00 0.00 C ATOM 0 H LEU A 56 -6.451 4.354 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.467 2.292 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.357 1.869 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.597 3.539 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.878 1.731 -8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.784 3.473 -10.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.233 4.083 -9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.614 4.484 -8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.448 1.624 -9.290 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.191 2.514 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.931 0.896 -7.740 1.00 0.00 H new ATOM 810 N ASP A 57 -3.960 5.021 -7.294 1.00 0.00 N ATOM 811 CA ASP A 57 -2.921 5.849 -7.882 1.00 0.00 C ATOM 812 C ASP A 57 -1.789 6.034 -6.869 1.00 0.00 C ATOM 813 O ASP A 57 -0.616 5.881 -7.208 1.00 0.00 O ATOM 814 CB ASP A 57 -3.460 7.233 -8.247 1.00 0.00 C ATOM 815 CG ASP A 57 -3.884 7.397 -9.708 1.00 0.00 C ATOM 816 OD1 ASP A 57 -2.993 7.270 -10.575 1.00 0.00 O ATOM 817 OD2 ASP A 57 -5.090 7.645 -9.925 1.00 0.00 O ATOM 0 H ASP A 57 -4.912 5.306 -7.523 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.564 5.352 -8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.316 7.453 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.695 7.976 -8.021 1.00 0.00 H new ATOM 822 N LYS A 58 -2.180 6.362 -5.646 1.00 0.00 N ATOM 823 CA LYS A 58 -1.213 6.570 -4.582 1.00 0.00 C ATOM 824 C LYS A 58 -0.118 5.506 -4.679 1.00 0.00 C ATOM 825 O LYS A 58 1.047 5.828 -4.907 1.00 0.00 O ATOM 826 CB LYS A 58 -1.913 6.610 -3.222 1.00 0.00 C ATOM 827 CG LYS A 58 -2.618 7.951 -3.008 1.00 0.00 C ATOM 828 CD LYS A 58 -1.637 9.012 -2.505 1.00 0.00 C ATOM 829 CE LYS A 58 -2.266 10.406 -2.551 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.350 11.366 -3.206 1.00 0.00 N ATOM 0 H LYS A 58 -3.153 6.489 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.727 7.539 -4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.639 5.799 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.184 6.448 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.069 8.282 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.428 7.829 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.336 8.779 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.734 8.996 -3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.211 10.368 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.493 10.743 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.901 12.037 -3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.816 11.887 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.687 10.850 -3.820 1.00 0.00 H new ATOM 844 N LEU A 59 -0.530 4.259 -4.500 1.00 0.00 N ATOM 845 CA LEU A 59 0.401 3.146 -4.564 1.00 0.00 C ATOM 846 C LEU A 59 1.204 3.233 -5.864 1.00 0.00 C ATOM 847 O LEU A 59 2.433 3.245 -5.838 1.00 0.00 O ATOM 848 CB LEU A 59 -0.338 1.819 -4.384 1.00 0.00 C ATOM 849 CG LEU A 59 -0.427 1.289 -2.952 1.00 0.00 C ATOM 850 CD1 LEU A 59 0.026 2.349 -1.946 1.00 0.00 C ATOM 851 CD2 LEU A 59 -1.834 0.772 -2.645 1.00 0.00 C ATOM 0 H LEU A 59 -1.497 3.995 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 59 1.116 3.199 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.350 1.935 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.154 1.066 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 59 0.254 0.443 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.047 1.947 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.059 2.628 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.611 3.229 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.870 0.401 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.553 1.583 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.083 -0.036 -3.333 1.00 0.00 H new ATOM 863 N ARG A 60 0.475 3.290 -6.969 1.00 0.00 N ATOM 864 CA ARG A 60 1.104 3.374 -8.276 1.00 0.00 C ATOM 865 C ARG A 60 2.324 4.295 -8.219 1.00 0.00 C ATOM 866 O ARG A 60 3.348 4.014 -8.841 1.00 0.00 O ATOM 867 CB ARG A 60 0.124 3.902 -9.325 1.00 0.00 C ATOM 868 CG ARG A 60 -0.470 2.756 -10.147 1.00 0.00 C ATOM 869 CD ARG A 60 -1.683 3.229 -10.951 1.00 0.00 C ATOM 870 NE ARG A 60 -1.259 3.653 -12.304 1.00 0.00 N ATOM 871 CZ ARG A 60 -2.076 3.706 -13.365 1.00 0.00 C ATOM 872 NH1 ARG A 60 -3.365 3.362 -13.236 1.00 0.00 N ATOM 873 NH2 ARG A 60 -1.605 4.102 -14.555 1.00 0.00 N ATOM 0 H ARG A 60 -0.545 3.280 -6.986 1.00 0.00 H new ATOM 0 HA ARG A 60 1.416 2.369 -8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.677 4.455 -8.834 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.636 4.601 -9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.287 2.359 -10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.764 1.942 -9.484 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.416 2.426 -11.026 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.170 4.058 -10.437 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.284 3.922 -12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.724 3.060 -12.330 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.987 3.402 -14.043 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.624 4.363 -14.654 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.227 4.142 -15.362 1.00 0.00 H new ATOM 887 N ARG A 61 2.176 5.376 -7.468 1.00 0.00 N ATOM 888 CA ARG A 61 3.253 6.340 -7.322 1.00 0.00 C ATOM 889 C ARG A 61 4.307 5.814 -6.346 1.00 0.00 C ATOM 890 O ARG A 61 5.505 5.941 -6.592 1.00 0.00 O ATOM 891 CB ARG A 61 2.725 7.685 -6.817 1.00 0.00 C ATOM 892 CG ARG A 61 1.669 8.251 -7.769 1.00 0.00 C ATOM 893 CD ARG A 61 1.488 9.755 -7.553 1.00 0.00 C ATOM 894 NE ARG A 61 0.765 10.347 -8.701 1.00 0.00 N ATOM 895 CZ ARG A 61 0.644 11.664 -8.914 1.00 0.00 C ATOM 896 NH1 ARG A 61 1.198 12.535 -8.059 1.00 0.00 N ATOM 897 NH2 ARG A 61 -0.030 12.111 -9.983 1.00 0.00 N ATOM 0 H ARG A 61 1.326 5.606 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 61 3.703 6.486 -8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.295 7.561 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.550 8.391 -6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.965 8.061 -8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.719 7.740 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.934 9.934 -6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.460 10.234 -7.439 1.00 0.00 H new ATOM 0 HE ARG A 61 0.332 9.712 -9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.712 12.195 -7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.106 13.538 -8.221 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.451 11.448 -10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.122 13.114 -10.145 1.00 0.00 H new ATOM 911 N LEU A 62 3.822 5.236 -5.257 1.00 0.00 N ATOM 912 CA LEU A 62 4.707 4.690 -4.242 1.00 0.00 C ATOM 913 C LEU A 62 5.596 3.615 -4.870 1.00 0.00 C ATOM 914 O LEU A 62 6.811 3.784 -4.961 1.00 0.00 O ATOM 915 CB LEU A 62 3.902 4.196 -3.038 1.00 0.00 C ATOM 916 CG LEU A 62 3.593 5.241 -1.964 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.139 5.708 -2.055 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.939 4.712 -0.570 1.00 0.00 C ATOM 0 H LEU A 62 2.827 5.134 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 62 5.369 5.466 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.959 3.786 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.448 3.376 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 62 4.222 6.113 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.946 6.450 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.960 6.151 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.474 4.856 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.710 5.474 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.353 3.816 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.001 4.469 -0.526 1.00 0.00 H new ATOM 930 N ILE A 63 4.955 2.533 -5.289 1.00 0.00 N ATOM 931 CA ILE A 63 5.672 1.431 -5.906 1.00 0.00 C ATOM 932 C ILE A 63 6.775 1.987 -6.808 1.00 0.00 C ATOM 933 O ILE A 63 7.946 1.649 -6.643 1.00 0.00 O ATOM 934 CB ILE A 63 4.699 0.497 -6.629 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.792 -0.228 -5.633 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.449 -0.480 -7.537 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.378 -0.389 -6.195 1.00 0.00 C ATOM 0 H ILE A 63 3.947 2.397 -5.213 1.00 0.00 H new ATOM 0 HA ILE A 63 6.159 0.820 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 63 4.056 1.102 -7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.209 -1.208 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.754 0.330 -4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.734 -1.132 -8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.016 0.078 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.132 -1.083 -6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.754 -0.907 -5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.954 0.594 -6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.417 -0.968 -7.117 1.00 0.00 H new ATOM 949 N ASN A 64 6.362 2.831 -7.743 1.00 0.00 N ATOM 950 CA ASN A 64 7.301 3.437 -8.672 1.00 0.00 C ATOM 951 C ASN A 64 8.355 4.219 -7.886 1.00 0.00 C ATOM 952 O ASN A 64 9.544 4.151 -8.197 1.00 0.00 O ATOM 953 CB ASN A 64 6.592 4.413 -9.613 1.00 0.00 C ATOM 954 CG ASN A 64 7.101 4.258 -11.047 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.527 3.196 -11.471 1.00 0.00 O ATOM 956 ND2 ASN A 64 7.033 5.374 -11.769 1.00 0.00 N ATOM 0 H ASN A 64 5.390 3.109 -7.877 1.00 0.00 H new ATOM 0 HA ASN A 64 7.759 2.640 -9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.517 4.236 -9.584 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.756 5.436 -9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.348 5.374 -12.739 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.665 6.229 -11.352 1.00 0.00 H new ATOM 963 N SER A 65 7.883 4.944 -6.882 1.00 0.00 N ATOM 964 CA SER A 65 8.770 5.738 -6.050 1.00 0.00 C ATOM 965 C SER A 65 9.796 4.832 -5.366 1.00 0.00 C ATOM 966 O SER A 65 10.804 5.310 -4.849 1.00 0.00 O ATOM 967 CB SER A 65 7.982 6.531 -5.005 1.00 0.00 C ATOM 968 OG SER A 65 8.768 7.560 -4.411 1.00 0.00 O ATOM 0 H SER A 65 6.897 4.998 -6.626 1.00 0.00 H new ATOM 0 HA SER A 65 9.292 6.450 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.102 6.972 -5.473 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.625 5.854 -4.229 1.00 0.00 H new ATOM 0 HG SER A 65 9.694 7.253 -4.320 1.00 0.00 H new ATOM 974 N GLY A 66 9.504 3.540 -5.386 1.00 0.00 N ATOM 975 CA GLY A 66 10.388 2.563 -4.774 1.00 0.00 C ATOM 976 C GLY A 66 11.056 1.687 -5.836 1.00 0.00 C ATOM 977 O GLY A 66 11.814 0.776 -5.508 1.00 0.00 O ATOM 0 H GLY A 66 8.667 3.147 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.151 3.075 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.822 1.937 -4.084 1.00 0.00 H new ATOM 981 N GLY A 67 10.749 1.993 -7.089 1.00 0.00 N ATOM 982 CA GLY A 67 11.310 1.245 -8.201 1.00 0.00 C ATOM 983 C GLY A 67 10.480 -0.007 -8.493 1.00 0.00 C ATOM 984 O GLY A 67 10.634 -0.627 -9.544 1.00 0.00 O ATOM 0 H GLY A 67 10.119 2.749 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.346 1.877 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.337 0.960 -7.971 1.00 0.00 H new ATOM 988 N GLY A 68 9.618 -0.341 -7.544 1.00 0.00 N ATOM 989 CA GLY A 68 8.764 -1.508 -7.686 1.00 0.00 C ATOM 990 C GLY A 68 7.977 -1.455 -8.997 1.00 0.00 C ATOM 991 O GLY A 68 7.789 -0.382 -9.570 1.00 0.00 O ATOM 0 H GLY A 68 9.493 0.176 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.371 -2.413 -7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.073 -1.562 -6.845 1.00 0.00 H new ATOM 995 N VAL A 69 7.538 -2.626 -9.435 1.00 0.00 N ATOM 996 CA VAL A 69 6.775 -2.727 -10.667 1.00 0.00 C ATOM 997 C VAL A 69 5.321 -3.067 -10.336 1.00 0.00 C ATOM 998 O VAL A 69 5.037 -4.134 -9.795 1.00 0.00 O ATOM 999 CB VAL A 69 7.429 -3.744 -11.605 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.463 -4.167 -12.713 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.729 -3.192 -12.193 1.00 0.00 C ATOM 0 H VAL A 69 7.697 -3.514 -8.958 1.00 0.00 H new ATOM 0 HA VAL A 69 6.773 -1.773 -11.194 1.00 0.00 H new ATOM 0 HB VAL A 69 7.676 -4.629 -11.019 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.952 -4.890 -13.366 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.577 -4.620 -12.269 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.171 -3.293 -13.295 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.173 -3.935 -12.856 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.516 -2.284 -12.757 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.425 -2.964 -11.386 1.00 0.00 H new ATOM 1011 N ARG A 70 4.438 -2.139 -10.675 1.00 0.00 N ATOM 1012 CA ARG A 70 3.020 -2.327 -10.421 1.00 0.00 C ATOM 1013 C ARG A 70 2.399 -3.213 -11.503 1.00 0.00 C ATOM 1014 O ARG A 70 2.234 -2.782 -12.644 1.00 0.00 O ATOM 1015 CB ARG A 70 2.284 -0.986 -10.385 1.00 0.00 C ATOM 1016 CG ARG A 70 1.004 -1.085 -9.553 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.214 -0.639 -10.366 1.00 0.00 C ATOM 1018 NE ARG A 70 -0.318 -1.442 -11.604 1.00 0.00 N ATOM 1019 CZ ARG A 70 0.078 -1.016 -12.812 1.00 0.00 C ATOM 1020 NH1 ARG A 70 0.606 0.208 -12.950 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -0.055 -1.813 -13.880 1.00 0.00 N ATOM 0 H ARG A 70 4.677 -1.255 -11.123 1.00 0.00 H new ATOM 0 HA ARG A 70 2.919 -2.810 -9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.936 -0.220 -9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.039 -0.674 -11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.864 -2.112 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.097 -0.466 -8.661 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.120 -0.754 -9.771 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.128 0.419 -10.615 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.716 -2.379 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.706 0.815 -12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.908 0.533 -13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.458 -2.744 -13.774 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.246 -1.489 -14.799 1.00 0.00 H new ATOM 1035 N PHE A 71 2.072 -4.434 -11.108 1.00 0.00 N ATOM 1036 CA PHE A 71 1.473 -5.384 -12.030 1.00 0.00 C ATOM 1037 C PHE A 71 -0.042 -5.189 -12.111 1.00 0.00 C ATOM 1038 O PHE A 71 -0.741 -5.306 -11.105 1.00 0.00 O ATOM 1039 CB PHE A 71 1.767 -6.783 -11.484 1.00 0.00 C ATOM 1040 CG PHE A 71 2.859 -7.533 -12.250 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.951 -6.864 -12.708 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.737 -8.869 -12.474 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.964 -7.560 -13.419 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.750 -9.565 -13.185 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.842 -8.896 -13.643 1.00 0.00 C ATOM 0 H PHE A 71 2.210 -4.788 -10.161 1.00 0.00 H new ATOM 0 HA PHE A 71 1.884 -5.242 -13.029 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.063 -6.699 -10.438 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.850 -7.372 -11.509 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.048 -5.803 -12.531 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.870 -9.400 -12.111 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.831 -7.029 -13.782 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.653 -10.626 -13.362 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.612 -9.425 -14.184 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.505 -4.895 -13.317 1.00 0.00 N ATOM 1056 CA ASN A 72 -1.925 -4.683 -13.542 1.00 0.00 C ATOM 1057 C ASN A 72 -2.649 -6.030 -13.513 1.00 0.00 C ATOM 1058 O ASN A 72 -3.878 -6.079 -13.505 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.176 -4.040 -14.908 1.00 0.00 C ATOM 1060 CG ASN A 72 -3.193 -2.902 -14.800 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -2.997 -1.925 -14.096 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -4.286 -3.083 -15.535 1.00 0.00 N ATOM 0 H ASN A 72 0.078 -4.799 -14.149 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.295 -4.022 -12.758 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.238 -3.658 -15.312 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.540 -4.793 -15.607 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.025 -2.380 -15.532 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.386 -3.925 -16.102 1.00 0.00 H new ATOM 1069 N GLN A 73 -1.855 -7.092 -13.498 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.405 -8.436 -13.471 1.00 0.00 C ATOM 1071 C GLN A 73 -1.663 -9.292 -12.443 1.00 0.00 C ATOM 1072 O GLN A 73 -0.676 -8.849 -11.856 1.00 0.00 O ATOM 1073 CB GLN A 73 -2.354 -9.078 -14.858 1.00 0.00 C ATOM 1074 CG GLN A 73 -3.327 -8.390 -15.818 1.00 0.00 C ATOM 1075 CD GLN A 73 -4.245 -9.410 -16.493 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -3.832 -10.200 -17.326 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -5.511 -9.350 -16.089 1.00 0.00 N ATOM 0 H GLN A 73 -0.836 -7.048 -13.504 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.452 -8.373 -13.175 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.341 -9.015 -15.255 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.601 -10.137 -14.782 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.926 -7.661 -15.273 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.768 -7.841 -16.576 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.791 -8.664 -15.388 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.202 -9.990 -16.481 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.165 -10.504 -12.255 1.00 0.00 N ATOM 1087 CA LEU A 74 -1.561 -11.426 -11.308 1.00 0.00 C ATOM 1088 C LEU A 74 -1.033 -12.649 -12.060 1.00 0.00 C ATOM 1089 O LEU A 74 -1.416 -12.893 -13.203 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.549 -11.770 -10.191 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.030 -11.603 -8.762 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -3.150 -11.157 -7.820 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.346 -12.882 -8.274 1.00 0.00 C ATOM 0 H LEU A 74 -2.983 -10.869 -12.743 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.707 -10.961 -10.815 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.434 -11.145 -10.310 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.869 -12.804 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.277 -10.815 -8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.754 -11.046 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.552 -10.202 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.943 -11.905 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.986 -12.736 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.059 -13.706 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.504 -13.116 -8.926 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.162 -13.387 -11.387 1.00 0.00 N ATOM 1106 CA ASN A 75 0.423 -14.579 -11.977 1.00 0.00 C ATOM 1107 C ASN A 75 1.762 -14.875 -11.299 1.00 0.00 C ATOM 1108 O ASN A 75 2.142 -14.196 -10.345 1.00 0.00 O ATOM 1109 CB ASN A 75 0.683 -14.382 -13.472 1.00 0.00 C ATOM 1110 CG ASN A 75 1.230 -12.981 -13.754 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.224 -12.551 -13.194 1.00 0.00 O ATOM 1112 ND2 ASN A 75 0.526 -12.297 -14.651 1.00 0.00 N ATOM 0 H ASN A 75 0.153 -13.182 -10.439 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.277 -15.403 -11.838 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.393 -15.131 -13.823 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.242 -14.534 -14.029 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.809 -11.351 -14.908 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.297 -12.718 -15.082 1.00 0.00 H new ATOM 1119 N GLU A 76 2.441 -15.888 -11.817 1.00 0.00 N ATOM 1120 CA GLU A 76 3.729 -16.281 -11.273 1.00 0.00 C ATOM 1121 C GLU A 76 4.767 -15.185 -11.520 1.00 0.00 C ATOM 1122 O GLU A 76 5.431 -15.175 -12.556 1.00 0.00 O ATOM 1123 CB GLU A 76 4.189 -17.615 -11.864 1.00 0.00 C ATOM 1124 CG GLU A 76 3.611 -18.793 -11.077 1.00 0.00 C ATOM 1125 CD GLU A 76 4.521 -20.019 -11.177 1.00 0.00 C ATOM 1126 OE1 GLU A 76 5.509 -20.057 -10.413 1.00 0.00 O ATOM 1127 OE2 GLU A 76 4.207 -20.891 -12.016 1.00 0.00 O ATOM 0 H GLU A 76 2.123 -16.448 -12.608 1.00 0.00 H new ATOM 0 HA GLU A 76 3.621 -16.415 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.877 -17.682 -12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.278 -17.665 -11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.488 -18.511 -10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.620 -19.039 -11.459 1.00 0.00 H new ATOM 1134 N ASP A 77 4.875 -14.287 -10.552 1.00 0.00 N ATOM 1135 CA ASP A 77 5.821 -13.188 -10.651 1.00 0.00 C ATOM 1136 C ASP A 77 5.538 -12.176 -9.540 1.00 0.00 C ATOM 1137 O ASP A 77 6.458 -11.546 -9.021 1.00 0.00 O ATOM 1138 CB ASP A 77 5.687 -12.467 -11.994 1.00 0.00 C ATOM 1139 CG ASP A 77 6.677 -12.917 -13.071 1.00 0.00 C ATOM 1140 OD1 ASP A 77 7.804 -13.294 -12.684 1.00 0.00 O ATOM 1141 OD2 ASP A 77 6.283 -12.873 -14.257 1.00 0.00 O ATOM 0 H ASP A 77 4.323 -14.298 -9.695 1.00 0.00 H new ATOM 0 HA ASP A 77 6.827 -13.598 -10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.674 -12.614 -12.369 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.814 -11.397 -11.829 1.00 0.00 H new ATOM 1146 N VAL A 78 4.262 -12.050 -9.208 1.00 0.00 N ATOM 1147 CA VAL A 78 3.846 -11.124 -8.168 1.00 0.00 C ATOM 1148 C VAL A 78 4.574 -11.467 -6.866 1.00 0.00 C ATOM 1149 O VAL A 78 4.364 -12.536 -6.296 1.00 0.00 O ATOM 1150 CB VAL A 78 2.323 -11.147 -8.025 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.878 -10.379 -6.778 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.646 -10.593 -9.280 1.00 0.00 C ATOM 0 H VAL A 78 3.502 -12.574 -9.641 1.00 0.00 H new ATOM 0 HA VAL A 78 4.118 -10.103 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 78 2.013 -12.185 -7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.791 -10.411 -6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.319 -10.836 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.206 -9.342 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.564 -10.621 -9.152 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.966 -9.564 -9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.925 -11.199 -10.142 1.00 0.00 H new ATOM 1162 N THR A 79 5.416 -10.539 -6.435 1.00 0.00 N ATOM 1163 CA THR A 79 6.176 -10.729 -5.211 1.00 0.00 C ATOM 1164 C THR A 79 5.337 -10.333 -3.995 1.00 0.00 C ATOM 1165 O THR A 79 5.624 -10.752 -2.875 1.00 0.00 O ATOM 1166 CB THR A 79 7.478 -9.935 -5.335 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.055 -8.574 -5.342 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.151 -10.123 -6.696 1.00 0.00 C ATOM 0 H THR A 79 5.589 -9.654 -6.911 1.00 0.00 H new ATOM 0 HA THR A 79 6.431 -11.778 -5.063 1.00 0.00 H new ATOM 0 HB THR A 79 8.165 -10.239 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.711 -8.334 -4.456 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.070 -9.538 -6.731 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.386 -11.177 -6.843 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.477 -9.788 -7.484 1.00 0.00 H new ATOM 1176 N HIS A 80 4.315 -9.531 -4.257 1.00 0.00 N ATOM 1177 CA HIS A 80 3.432 -9.074 -3.197 1.00 0.00 C ATOM 1178 C HIS A 80 2.106 -8.607 -3.800 1.00 0.00 C ATOM 1179 O HIS A 80 2.017 -8.367 -5.004 1.00 0.00 O ATOM 1180 CB HIS A 80 4.111 -7.996 -2.351 1.00 0.00 C ATOM 1181 CG HIS A 80 5.547 -8.303 -2.001 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.580 -8.205 -2.917 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.111 -8.707 -0.826 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.710 -8.538 -2.310 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.417 -8.849 -1.015 1.00 0.00 N ATOM 0 H HIS A 80 4.079 -9.186 -5.187 1.00 0.00 H new ATOM 0 HA HIS A 80 3.213 -9.900 -2.520 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.074 -7.049 -2.890 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.544 -7.861 -1.430 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.584 -8.882 0.100 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.691 -8.559 -2.762 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.091 -9.143 -0.308 1.00 0.00 H new ATOM 1193 N VAL A 81 1.107 -8.493 -2.937 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.210 -8.059 -3.370 1.00 0.00 C ATOM 1195 C VAL A 81 -0.795 -7.103 -2.328 1.00 0.00 C ATOM 1196 O VAL A 81 -1.301 -7.538 -1.295 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.102 -9.275 -3.632 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.569 -8.861 -3.759 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.637 -10.037 -4.875 1.00 0.00 C ATOM 0 H VAL A 81 1.183 -8.694 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.142 -7.513 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.016 -9.945 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.181 -9.743 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.893 -8.382 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.679 -8.162 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.287 -10.896 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.680 -9.379 -5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.387 -10.380 -4.730 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.706 -5.817 -2.636 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.220 -4.796 -1.740 1.00 0.00 C ATOM 1211 C ILE A 82 -2.746 -4.751 -1.845 1.00 0.00 C ATOM 1212 O ILE A 82 -3.290 -4.210 -2.806 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.546 -3.451 -2.017 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.972 -3.610 -2.123 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -0.941 -2.412 -0.965 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.652 -3.285 -0.791 1.00 0.00 C ATOM 0 H ILE A 82 -0.285 -5.459 -3.494 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.978 -5.041 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.900 -3.084 -2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.214 -4.630 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.357 -2.952 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.448 -1.465 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.022 -2.271 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.635 -2.759 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.730 -3.406 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.427 -2.256 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.283 -3.961 -0.020 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.394 -5.329 -0.844 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.846 -5.362 -0.812 1.00 0.00 C ATOM 1230 C VAL A 83 -5.360 -4.199 0.039 1.00 0.00 C ATOM 1231 O VAL A 83 -4.833 -3.935 1.119 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.327 -6.726 -0.313 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.855 -6.780 -0.252 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.772 -7.855 -1.183 1.00 0.00 C ATOM 0 H VAL A 83 -2.940 -5.778 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.253 -5.235 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.947 -6.866 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.170 -7.760 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.219 -6.011 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.265 -6.608 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.129 -8.814 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.108 -7.721 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.683 -7.836 -1.152 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.382 -3.534 -0.480 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.973 -2.405 0.219 1.00 0.00 C ATOM 1246 C GLY A 84 -8.289 -2.804 0.889 1.00 0.00 C ATOM 1247 O GLY A 84 -8.812 -2.068 1.725 1.00 0.00 O ATOM 0 H GLY A 84 -6.816 -3.755 -1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.276 -2.033 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.150 -1.590 -0.483 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.788 -3.967 0.497 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.033 -4.472 1.050 1.00 0.00 C ATOM 1253 C ASP A 85 -10.117 -5.981 0.811 1.00 0.00 C ATOM 1254 O ASP A 85 -10.486 -6.735 1.710 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.240 -3.818 0.374 1.00 0.00 C ATOM 1256 CG ASP A 85 -11.886 -2.679 1.166 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -11.381 -1.543 1.040 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -12.871 -2.971 1.879 1.00 0.00 O ATOM 0 H ASP A 85 -8.352 -4.574 -0.197 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.047 -4.242 2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.929 -3.434 -0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.993 -4.584 0.188 1.00 0.00 H new ATOM 1263 N TYR A 86 -9.769 -6.376 -0.405 1.00 0.00 N ATOM 1264 CA TYR A 86 -9.801 -7.781 -0.773 1.00 0.00 C ATOM 1265 C TYR A 86 -9.183 -7.999 -2.156 1.00 0.00 C ATOM 1266 O TYR A 86 -8.830 -7.041 -2.840 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.280 -8.171 -0.821 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.140 -7.245 -1.683 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -11.972 -7.225 -3.053 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.084 -6.430 -1.091 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -12.782 -6.353 -3.864 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.894 -5.559 -1.903 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.703 -5.563 -3.249 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.467 -4.740 -4.016 1.00 0.00 O ATOM 0 H TYR A 86 -9.463 -5.747 -1.148 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.234 -8.378 -0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.365 -9.188 -1.203 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.677 -8.178 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.234 -7.863 -3.516 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.215 -6.446 -0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.661 -6.327 -4.937 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.637 -4.917 -1.453 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.082 -4.236 -3.443 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.072 -9.267 -2.525 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.504 -9.624 -3.814 1.00 0.00 C ATOM 1286 C ASP A 87 -9.097 -10.955 -4.277 1.00 0.00 C ATOM 1287 O ASP A 87 -8.665 -12.019 -3.835 1.00 0.00 O ATOM 1288 CB ASP A 87 -6.986 -9.790 -3.719 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.234 -9.634 -5.042 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -6.709 -10.221 -6.038 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -5.200 -8.931 -5.028 1.00 0.00 O ATOM 0 H ASP A 87 -9.366 -10.059 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.736 -8.825 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.599 -9.058 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.769 -10.776 -3.309 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.078 -10.854 -5.162 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.735 -12.037 -5.691 1.00 0.00 C ATOM 1298 C ASP A 88 -9.786 -12.756 -6.652 1.00 0.00 C ATOM 1299 O ASP A 88 -9.594 -13.966 -6.551 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.000 -11.664 -6.466 1.00 0.00 C ATOM 1301 CG ASP A 88 -12.993 -10.787 -5.700 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -12.667 -9.595 -5.511 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.054 -11.327 -5.322 1.00 0.00 O ATOM 0 H ASP A 88 -10.434 -9.970 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.003 -12.678 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.709 -11.145 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.506 -12.581 -6.769 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.218 -11.979 -7.563 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.294 -12.526 -8.542 1.00 0.00 C ATOM 1310 C GLU A 89 -7.422 -13.608 -7.902 1.00 0.00 C ATOM 1311 O GLU A 89 -7.305 -14.711 -8.433 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.433 -11.423 -9.160 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.230 -11.660 -10.658 1.00 0.00 C ATOM 1314 CD GLU A 89 -6.296 -12.847 -10.903 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -5.099 -12.704 -10.572 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -6.799 -13.869 -11.416 1.00 0.00 O ATOM 0 H GLU A 89 -9.380 -10.975 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.874 -12.981 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.908 -10.455 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.465 -11.389 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.193 -11.846 -11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.814 -10.764 -11.119 1.00 0.00 H new ATOM 1323 N LEU A 90 -6.833 -13.255 -6.769 1.00 0.00 N ATOM 1324 CA LEU A 90 -5.975 -14.182 -6.051 1.00 0.00 C ATOM 1325 C LEU A 90 -6.562 -15.592 -6.146 1.00 0.00 C ATOM 1326 O LEU A 90 -5.921 -16.500 -6.673 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.754 -13.704 -4.614 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.352 -13.183 -4.289 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.277 -14.116 -4.848 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -4.175 -11.745 -4.779 1.00 0.00 C ATOM 0 H LEU A 90 -6.933 -12.340 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.986 -14.216 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.473 -12.913 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.979 -14.530 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.235 -13.171 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.290 -13.722 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.392 -15.107 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.382 -14.184 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.171 -11.399 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.320 -11.708 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.908 -11.102 -4.292 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.774 -15.730 -5.629 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.454 -17.014 -5.649 1.00 0.00 C ATOM 1344 C LYS A 91 -8.254 -17.670 -7.016 1.00 0.00 C ATOM 1345 O LYS A 91 -7.797 -18.809 -7.101 1.00 0.00 O ATOM 1346 CB LYS A 91 -9.923 -16.848 -5.255 1.00 0.00 C ATOM 1347 CG LYS A 91 -10.108 -17.014 -3.745 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.587 -16.926 -3.361 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.752 -16.416 -1.929 1.00 0.00 C ATOM 1350 NZ LYS A 91 -12.024 -17.540 -1.006 1.00 0.00 N ATOM 0 H LYS A 91 -8.303 -14.974 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.023 -17.686 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.277 -15.864 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.530 -17.584 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.703 -17.975 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.545 -16.243 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.106 -16.260 -4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.050 -17.908 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.848 -15.892 -1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.569 -15.696 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.133 -17.176 -0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.899 -18.023 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.231 -18.213 -1.035 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.607 -16.924 -8.053 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.472 -17.419 -9.412 1.00 0.00 C ATOM 1366 C GLN A 92 -7.020 -17.809 -9.693 1.00 0.00 C ATOM 1367 O GLN A 92 -6.752 -18.901 -10.193 1.00 0.00 O ATOM 1368 CB GLN A 92 -8.968 -16.384 -10.424 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.384 -15.918 -10.082 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.377 -16.341 -11.167 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.141 -16.191 -12.354 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.499 -16.877 -10.693 1.00 0.00 N ATOM 0 H GLN A 92 -8.986 -15.980 -7.979 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.093 -18.308 -9.518 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.293 -15.529 -10.435 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.955 -16.814 -11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.687 -16.338 -9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.398 -14.833 -9.974 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.633 -16.973 -9.686 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.225 -17.191 -11.336 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.120 -16.896 -9.360 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.702 -17.131 -9.570 1.00 0.00 C ATOM 1383 C PHE A 93 -4.225 -18.351 -8.781 1.00 0.00 C ATOM 1384 O PHE A 93 -3.234 -18.983 -9.145 1.00 0.00 O ATOM 1385 CB PHE A 93 -3.963 -15.890 -9.064 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.454 -16.087 -8.903 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.696 -16.436 -9.977 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.871 -15.913 -7.687 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.295 -16.619 -9.828 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.471 -16.095 -7.538 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.287 -16.445 -8.611 1.00 0.00 C ATOM 0 H PHE A 93 -6.345 -15.992 -8.946 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.509 -17.317 -10.626 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.140 -15.067 -9.756 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.385 -15.595 -8.103 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.159 -16.574 -10.943 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.473 -15.636 -6.834 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.307 -16.896 -10.680 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.008 -15.955 -6.572 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.352 -16.585 -8.497 1.00 0.00 H new ATOM 1401 N TRP A 94 -4.953 -18.647 -7.714 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.616 -19.781 -6.869 1.00 0.00 C ATOM 1403 C TRP A 94 -5.311 -21.018 -7.441 1.00 0.00 C ATOM 1404 O TRP A 94 -5.032 -22.140 -7.022 1.00 0.00 O ATOM 1405 CB TRP A 94 -4.987 -19.507 -5.410 1.00 0.00 C ATOM 1406 CG TRP A 94 -3.998 -18.599 -4.677 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -2.663 -18.578 -4.783 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.323 -17.575 -3.713 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.105 -17.619 -3.962 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.147 -16.990 -3.291 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -5.570 -17.157 -3.215 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.101 -15.953 -2.351 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -5.506 -16.121 -2.276 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.331 -15.521 -1.840 1.00 0.00 C ATOM 0 H TRP A 94 -5.775 -18.122 -7.415 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.540 -19.955 -6.867 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -5.976 -19.051 -5.377 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.056 -20.456 -4.879 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.094 -19.230 -5.430 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.111 -17.410 -3.866 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.503 -17.600 -3.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.167 -15.510 -2.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.436 -15.762 -1.861 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.366 -14.725 -1.111 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.204 -20.771 -8.388 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.941 -21.852 -9.021 1.00 0.00 C ATOM 1427 C ASN A 95 -6.392 -22.081 -10.430 1.00 0.00 C ATOM 1428 O ASN A 95 -7.002 -22.787 -11.232 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.427 -21.507 -9.144 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.283 -22.775 -9.185 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -8.893 -23.833 -8.720 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -10.467 -22.609 -9.767 1.00 0.00 N ATOM 0 H ASN A 95 -6.434 -19.839 -8.732 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.827 -22.744 -8.405 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.731 -20.886 -8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.594 -20.922 -10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -11.112 -23.396 -9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.731 -21.695 -10.135 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.244 -21.472 -10.690 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.605 -21.601 -11.988 1.00 0.00 C ATOM 1441 C LYS A 96 -3.101 -21.802 -11.794 1.00 0.00 C ATOM 1442 O LYS A 96 -2.549 -22.822 -12.205 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.956 -20.408 -12.879 1.00 0.00 C ATOM 1444 CG LYS A 96 -4.816 -19.091 -12.112 1.00 0.00 C ATOM 1445 CD LYS A 96 -3.596 -18.303 -12.595 1.00 0.00 C ATOM 1446 CE LYS A 96 -3.991 -16.885 -13.012 1.00 0.00 C ATOM 1447 NZ LYS A 96 -4.135 -16.798 -14.482 1.00 0.00 N ATOM 0 H LYS A 96 -4.740 -20.888 -10.023 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.980 -22.481 -12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.302 -20.396 -13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.977 -20.512 -13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.717 -18.491 -12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.723 -19.295 -11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.850 -18.258 -11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.135 -18.819 -13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.929 -16.606 -12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.236 -16.176 -12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.403 -15.829 -14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.231 -17.043 -14.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.872 -17.460 -14.798 1.00 0.00 H new ATOM 1461 N SER A 97 -2.480 -20.814 -11.167 1.00 0.00 N ATOM 1462 CA SER A 97 -1.050 -20.869 -10.913 1.00 0.00 C ATOM 1463 C SER A 97 -0.792 -21.314 -9.472 1.00 0.00 C ATOM 1464 O SER A 97 -1.658 -21.173 -8.611 1.00 0.00 O ATOM 1465 CB SER A 97 -0.391 -19.514 -11.178 1.00 0.00 C ATOM 1466 OG SER A 97 -0.428 -19.163 -12.558 1.00 0.00 O ATOM 0 H SER A 97 -2.941 -19.970 -10.827 1.00 0.00 H new ATOM 0 HA SER A 97 -0.608 -21.596 -11.595 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.897 -18.745 -10.595 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.644 -19.542 -10.839 1.00 0.00 H new ATOM 0 HG SER A 97 0.001 -18.291 -12.685 1.00 0.00 H new ATOM 1472 N ALA A 98 0.404 -21.841 -9.255 1.00 0.00 N ATOM 1473 CA ALA A 98 0.788 -22.307 -7.933 1.00 0.00 C ATOM 1474 C ALA A 98 1.824 -21.349 -7.341 1.00 0.00 C ATOM 1475 O ALA A 98 3.006 -21.426 -7.672 1.00 0.00 O ATOM 1476 CB ALA A 98 1.308 -23.742 -8.028 1.00 0.00 C ATOM 0 H ALA A 98 1.120 -21.956 -9.972 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.073 -22.317 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.596 -24.091 -7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.525 -24.387 -8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.174 -23.772 -8.689 1.00 0.00 H new ATOM 1482 N HIS A 99 1.343 -20.470 -6.474 1.00 0.00 N ATOM 1483 CA HIS A 99 2.213 -19.499 -5.833 1.00 0.00 C ATOM 1484 C HIS A 99 1.464 -18.818 -4.686 1.00 0.00 C ATOM 1485 O HIS A 99 0.236 -18.737 -4.703 1.00 0.00 O ATOM 1486 CB HIS A 99 2.763 -18.503 -6.856 1.00 0.00 C ATOM 1487 CG HIS A 99 3.344 -17.251 -6.243 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.434 -17.269 -5.391 1.00 0.00 N ATOM 1489 CD2 HIS A 99 2.975 -15.944 -6.368 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.700 -16.024 -5.025 1.00 0.00 C ATOM 1491 NE2 HIS A 99 3.794 -15.204 -5.631 1.00 0.00 N ATOM 0 H HIS A 99 0.362 -20.410 -6.201 1.00 0.00 H new ATOM 0 HA HIS A 99 3.078 -20.006 -5.406 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.533 -18.996 -7.450 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.963 -18.222 -7.541 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.155 -15.574 -6.966 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.495 -15.713 -4.363 1.00 0.00 H new ATOM 0 HE2 HIS A 99 3.753 -14.189 -5.534 1.00 0.00 H new ATOM 1499 N ARG A 100 2.234 -18.346 -3.716 1.00 0.00 N ATOM 1500 CA ARG A 100 1.658 -17.674 -2.564 1.00 0.00 C ATOM 1501 C ARG A 100 2.286 -16.290 -2.387 1.00 0.00 C ATOM 1502 O ARG A 100 3.306 -16.148 -1.714 1.00 0.00 O ATOM 1503 CB ARG A 100 1.873 -18.490 -1.287 1.00 0.00 C ATOM 1504 CG ARG A 100 0.565 -18.641 -0.507 1.00 0.00 C ATOM 1505 CD ARG A 100 -0.344 -19.687 -1.156 1.00 0.00 C ATOM 1506 NE ARG A 100 0.094 -21.047 -0.770 1.00 0.00 N ATOM 1507 CZ ARG A 100 -0.324 -22.170 -1.370 1.00 0.00 C ATOM 1508 NH1 ARG A 100 -1.193 -22.101 -2.388 1.00 0.00 N ATOM 1509 NH2 ARG A 100 0.126 -23.360 -0.952 1.00 0.00 N ATOM 0 H ARG A 100 3.252 -18.416 -3.705 1.00 0.00 H new ATOM 0 HA ARG A 100 0.587 -17.571 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.265 -19.475 -1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.620 -18.002 -0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.782 -18.931 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.049 -17.682 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.376 -19.527 -0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.317 -19.581 -2.241 1.00 0.00 H new ATOM 0 HE ARG A 100 0.756 -21.135 0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.536 -21.194 -2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.512 -22.955 -2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.787 -23.412 -0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.192 -24.215 -1.409 1.00 0.00 H new ATOM 1523 N PRO A 101 1.635 -15.278 -3.021 1.00 0.00 N ATOM 1524 CA PRO A 101 2.118 -13.911 -2.940 1.00 0.00 C ATOM 1525 C PRO A 101 1.810 -13.299 -1.572 1.00 0.00 C ATOM 1526 O PRO A 101 0.931 -13.779 -0.858 1.00 0.00 O ATOM 1527 CB PRO A 101 1.432 -13.183 -4.084 1.00 0.00 C ATOM 1528 CG PRO A 101 0.243 -14.046 -4.473 1.00 0.00 C ATOM 1529 CD PRO A 101 0.425 -15.409 -3.827 1.00 0.00 C ATOM 0 HA PRO A 101 3.202 -13.842 -3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.109 -12.189 -3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.111 -13.051 -4.926 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.687 -13.587 -4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.180 -14.143 -5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.435 -15.673 -3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.532 -16.192 -4.578 1.00 0.00 H new ATOM 1537 N HIS A 102 2.551 -12.250 -1.248 1.00 0.00 N ATOM 1538 CA HIS A 102 2.368 -11.568 0.022 1.00 0.00 C ATOM 1539 C HIS A 102 1.198 -10.588 -0.086 1.00 0.00 C ATOM 1540 O HIS A 102 1.341 -9.504 -0.649 1.00 0.00 O ATOM 1541 CB HIS A 102 3.666 -10.894 0.470 1.00 0.00 C ATOM 1542 CG HIS A 102 4.826 -11.847 0.638 1.00 0.00 C ATOM 1543 ND1 HIS A 102 4.742 -13.004 1.392 1.00 0.00 N ATOM 1544 CD2 HIS A 102 6.096 -11.801 0.141 1.00 0.00 C ATOM 1545 CE1 HIS A 102 5.914 -13.620 1.345 1.00 0.00 C ATOM 1546 NE2 HIS A 102 6.752 -12.872 0.570 1.00 0.00 N ATOM 0 H HIS A 102 3.280 -11.855 -1.843 1.00 0.00 H new ATOM 0 HA HIS A 102 2.119 -12.294 0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.938 -10.131 -0.260 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.490 -10.382 1.416 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.499 -11.025 -0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.162 -14.550 1.834 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.723 -13.099 0.356 1.00 0.00 H new ATOM 1554 N VAL A 103 0.066 -11.004 0.463 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.128 -10.176 0.436 1.00 0.00 C ATOM 1556 C VAL A 103 -1.159 -9.292 1.684 1.00 0.00 C ATOM 1557 O VAL A 103 -1.619 -9.719 2.741 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.372 -11.057 0.296 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.649 -10.229 0.452 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.365 -11.808 -1.036 1.00 0.00 C ATOM 0 H VAL A 103 -0.050 -11.904 0.929 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.115 -9.515 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.351 -11.796 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.518 -10.878 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.661 -9.761 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.679 -9.457 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.260 -12.426 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.350 -11.092 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.480 -12.442 -1.092 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.662 -8.074 1.519 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.627 -7.126 2.620 1.00 0.00 C ATOM 1572 C VAL A 104 -1.414 -5.872 2.232 1.00 0.00 C ATOM 1573 O VAL A 104 -1.927 -5.777 1.118 1.00 0.00 O ATOM 1574 CB VAL A 104 0.823 -6.826 3.006 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.525 -8.084 3.522 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.588 -6.214 1.830 1.00 0.00 C ATOM 0 H VAL A 104 -0.281 -7.723 0.641 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.104 -7.549 3.504 1.00 0.00 H new ATOM 0 HB VAL A 104 0.810 -6.095 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.554 -7.843 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.000 -8.459 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.522 -8.848 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.616 -6.010 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.587 -6.912 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.107 -5.284 1.528 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.484 -4.942 3.173 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.200 -3.699 2.943 1.00 0.00 C ATOM 1588 C GLY A 105 -1.229 -2.554 2.645 1.00 0.00 C ATOM 1589 O GLY A 105 -0.106 -2.542 3.145 1.00 0.00 O ATOM 0 H GLY A 105 -1.057 -5.024 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.890 -3.822 2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.800 -3.453 3.819 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.699 -1.619 1.832 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.886 -0.473 1.462 1.00 0.00 C ATOM 1595 C ALA A 106 -0.156 0.051 2.700 1.00 0.00 C ATOM 1596 O ALA A 106 0.991 0.486 2.611 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.772 0.593 0.813 1.00 0.00 C ATOM 0 H ALA A 106 -2.632 -1.632 1.419 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.130 -0.759 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.162 1.453 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.244 0.180 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.541 0.906 1.519 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.851 -0.008 3.827 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.283 0.454 5.082 1.00 0.00 C ATOM 1605 C LYS A 107 1.192 0.055 5.147 1.00 0.00 C ATOM 1606 O LYS A 107 2.047 0.875 5.479 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.111 -0.054 6.264 1.00 0.00 C ATOM 1608 CG LYS A 107 -0.759 0.705 7.545 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.008 0.960 8.392 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.669 1.786 9.634 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.691 2.834 9.854 1.00 0.00 N ATOM 0 H LYS A 107 -1.802 -0.369 3.897 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.322 1.542 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.173 0.064 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.932 -1.120 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.034 0.133 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.287 1.654 7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.755 1.483 7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.448 0.009 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.613 1.135 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.688 2.246 9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.446 3.386 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.725 3.465 9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.621 2.389 9.988 1.00 0.00 H new ATOM 1625 N TRP A 108 1.446 -1.205 4.825 1.00 0.00 N ATOM 1626 CA TRP A 108 2.803 -1.723 4.843 1.00 0.00 C ATOM 1627 C TRP A 108 3.643 -0.884 3.877 1.00 0.00 C ATOM 1628 O TRP A 108 4.602 -0.232 4.288 1.00 0.00 O ATOM 1629 CB TRP A 108 2.825 -3.217 4.511 1.00 0.00 C ATOM 1630 CG TRP A 108 4.214 -3.759 4.171 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.142 -4.235 5.012 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.799 -3.862 2.856 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.278 -4.636 4.338 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.062 -4.402 2.985 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.277 -3.511 1.598 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.910 -4.639 1.896 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.137 -3.754 0.520 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.412 -4.297 0.633 1.00 0.00 C ATOM 0 H TRP A 108 0.735 -1.882 4.550 1.00 0.00 H new ATOM 0 HA TRP A 108 3.233 -1.640 5.841 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.427 -3.773 5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.158 -3.401 3.669 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.017 -4.297 6.083 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.120 -5.031 4.756 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.291 -3.088 1.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.895 -5.063 2.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.785 -3.502 -0.469 1.00 0.00 H new ATOM 0 HH2 TRP A 108 7.015 -4.454 -0.249 1.00 0.00 H new ATOM 1649 N LEU A 109 3.251 -0.928 2.612 1.00 0.00 N ATOM 1650 CA LEU A 109 3.955 -0.179 1.585 1.00 0.00 C ATOM 1651 C LEU A 109 4.306 1.210 2.122 1.00 0.00 C ATOM 1652 O LEU A 109 5.468 1.613 2.098 1.00 0.00 O ATOM 1653 CB LEU A 109 3.141 -0.150 0.290 1.00 0.00 C ATOM 1654 CG LEU A 109 3.814 -0.764 -0.940 1.00 0.00 C ATOM 1655 CD1 LEU A 109 3.155 -0.271 -2.229 1.00 0.00 C ATOM 1656 CD2 LEU A 109 5.321 -0.500 -0.929 1.00 0.00 C ATOM 0 H LEU A 109 2.455 -1.470 2.275 1.00 0.00 H new ATOM 0 HA LEU A 109 4.895 -0.670 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.200 -0.673 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.892 0.887 0.064 1.00 0.00 H new ATOM 0 HG LEU A 109 3.676 -1.845 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.652 -0.722 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.102 -0.553 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.240 0.814 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.775 -0.947 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.502 0.575 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.761 -0.940 -0.034 1.00 0.00 H new ATOM 1668 N LEU A 110 3.281 1.903 2.593 1.00 0.00 N ATOM 1669 CA LEU A 110 3.466 3.239 3.135 1.00 0.00 C ATOM 1670 C LEU A 110 4.631 3.225 4.126 1.00 0.00 C ATOM 1671 O LEU A 110 5.664 3.848 3.885 1.00 0.00 O ATOM 1672 CB LEU A 110 2.158 3.762 3.731 1.00 0.00 C ATOM 1673 CG LEU A 110 0.930 3.688 2.821 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.290 4.319 3.495 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.219 4.316 1.457 1.00 0.00 C ATOM 0 H LEU A 110 2.319 1.565 2.611 1.00 0.00 H new ATOM 0 HA LEU A 110 3.729 3.939 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.946 3.200 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.306 4.801 4.025 1.00 0.00 H new ATOM 0 HG LEU A 110 0.696 2.638 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.149 4.253 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.509 3.788 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.082 5.366 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.330 4.250 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.493 5.363 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.041 3.784 0.978 1.00 0.00 H new ATOM 1687 N GLU A 111 4.427 2.507 5.221 1.00 0.00 N ATOM 1688 CA GLU A 111 5.447 2.403 6.250 1.00 0.00 C ATOM 1689 C GLU A 111 6.821 2.184 5.614 1.00 0.00 C ATOM 1690 O GLU A 111 7.786 2.862 5.963 1.00 0.00 O ATOM 1691 CB GLU A 111 5.116 1.285 7.240 1.00 0.00 C ATOM 1692 CG GLU A 111 3.724 1.482 7.844 1.00 0.00 C ATOM 1693 CD GLU A 111 3.818 1.924 9.306 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.023 1.031 10.157 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.683 3.144 9.540 1.00 0.00 O ATOM 0 H GLU A 111 3.569 1.991 5.418 1.00 0.00 H new ATOM 0 HA GLU A 111 5.471 3.340 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.164 0.321 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.862 1.265 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.177 2.229 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.160 0.552 7.777 1.00 0.00 H new ATOM 1702 N CYS A 112 6.867 1.233 4.693 1.00 0.00 N ATOM 1703 CA CYS A 112 8.107 0.915 4.005 1.00 0.00 C ATOM 1704 C CYS A 112 8.703 2.216 3.464 1.00 0.00 C ATOM 1705 O CYS A 112 9.832 2.572 3.798 1.00 0.00 O ATOM 1706 CB CYS A 112 7.891 -0.118 2.898 1.00 0.00 C ATOM 1707 SG CYS A 112 7.296 -1.692 3.618 1.00 0.00 S ATOM 0 H CYS A 112 6.065 0.672 4.407 1.00 0.00 H new ATOM 0 HA CYS A 112 8.808 0.459 4.705 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.167 0.258 2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.823 -0.285 2.358 1.00 0.00 H new ATOM 0 HG CYS A 112 7.035 -2.535 2.663 1.00 0.00 H new ATOM 1713 N PHE A 113 7.917 2.890 2.637 1.00 0.00 N ATOM 1714 CA PHE A 113 8.353 4.144 2.046 1.00 0.00 C ATOM 1715 C PHE A 113 8.521 5.225 3.115 1.00 0.00 C ATOM 1716 O PHE A 113 9.015 6.315 2.829 1.00 0.00 O ATOM 1717 CB PHE A 113 7.262 4.579 1.065 1.00 0.00 C ATOM 1718 CG PHE A 113 7.334 3.881 -0.295 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.313 4.212 -1.178 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.418 2.930 -0.620 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.380 3.564 -2.440 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.484 2.282 -1.882 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.464 2.613 -2.765 1.00 0.00 C ATOM 0 H PHE A 113 6.981 2.591 2.362 1.00 0.00 H new ATOM 0 HA PHE A 113 9.315 4.008 1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.287 4.383 1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.332 5.656 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.040 4.968 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.640 2.667 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.158 3.826 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.756 1.527 -2.140 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.515 2.120 -3.725 1.00 0.00 H new ATOM 1733 N SER A 114 8.101 4.886 4.325 1.00 0.00 N ATOM 1734 CA SER A 114 8.198 5.814 5.439 1.00 0.00 C ATOM 1735 C SER A 114 9.548 5.650 6.140 1.00 0.00 C ATOM 1736 O SER A 114 10.178 6.635 6.521 1.00 0.00 O ATOM 1737 CB SER A 114 7.055 5.604 6.433 1.00 0.00 C ATOM 1738 OG SER A 114 6.217 6.752 6.533 1.00 0.00 O ATOM 0 H SER A 114 7.692 3.981 4.558 1.00 0.00 H new ATOM 0 HA SER A 114 8.120 6.828 5.047 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.459 4.746 6.124 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.467 5.369 7.415 1.00 0.00 H new ATOM 0 HG SER A 114 5.498 6.577 7.176 1.00 0.00 H new ATOM 1744 N LYS A 115 9.953 4.397 6.290 1.00 0.00 N ATOM 1745 CA LYS A 115 11.216 4.091 6.938 1.00 0.00 C ATOM 1746 C LYS A 115 12.329 4.062 5.889 1.00 0.00 C ATOM 1747 O LYS A 115 13.494 4.296 6.209 1.00 0.00 O ATOM 1748 CB LYS A 115 11.103 2.798 7.750 1.00 0.00 C ATOM 1749 CG LYS A 115 10.063 2.940 8.864 1.00 0.00 C ATOM 1750 CD LYS A 115 8.685 2.475 8.390 1.00 0.00 C ATOM 1751 CE LYS A 115 7.930 1.763 9.514 1.00 0.00 C ATOM 1752 NZ LYS A 115 6.897 2.654 10.090 1.00 0.00 N ATOM 0 H LYS A 115 9.428 3.582 5.973 1.00 0.00 H new ATOM 0 HA LYS A 115 11.474 4.870 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.827 1.974 7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.072 2.550 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.370 2.354 9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.009 3.980 9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.107 3.332 8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.797 1.803 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.463 0.856 9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.629 1.456 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.316 2.120 10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.357 3.448 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.291 3.021 9.328 1.00 0.00 H new ATOM 1766 N GLY A 116 11.932 3.774 4.659 1.00 0.00 N ATOM 1767 CA GLY A 116 12.882 3.712 3.561 1.00 0.00 C ATOM 1768 C GLY A 116 13.301 2.268 3.279 1.00 0.00 C ATOM 1769 O GLY A 116 13.923 1.986 2.256 1.00 0.00 O ATOM 0 H GLY A 116 10.965 3.581 4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.437 4.147 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.761 4.309 3.802 1.00 0.00 H new ATOM 1773 N TYR A 117 12.943 1.390 4.205 1.00 0.00 N ATOM 1774 CA TYR A 117 13.274 -0.018 4.070 1.00 0.00 C ATOM 1775 C TYR A 117 12.034 -0.894 4.262 1.00 0.00 C ATOM 1776 O TYR A 117 11.163 -0.574 5.069 1.00 0.00 O ATOM 1777 CB TYR A 117 14.278 -0.324 5.183 1.00 0.00 C ATOM 1778 CG TYR A 117 13.632 -0.655 6.530 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.076 0.351 7.294 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.604 -1.959 6.980 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.468 0.040 8.562 1.00 0.00 C ATOM 1782 CE2 TYR A 117 12.996 -2.271 8.248 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.458 -1.256 8.976 1.00 0.00 C ATOM 1784 OH TYR A 117 11.883 -1.550 10.173 1.00 0.00 O ATOM 0 H TYR A 117 12.427 1.627 5.052 1.00 0.00 H new ATOM 0 HA TYR A 117 13.675 -0.224 3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.902 -1.163 4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 117 14.938 0.534 5.309 1.00 0.00 H new ATOM 0 HD1 TYR A 117 13.097 1.371 6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 117 14.038 -2.746 6.381 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.030 0.818 9.170 1.00 0.00 H new ATOM 0 HE2 TYR A 117 12.968 -3.287 8.612 1.00 0.00 H new ATOM 0 HH TYR A 117 11.948 -2.514 10.339 1.00 0.00 H new ATOM 1794 N MET A 118 11.995 -1.982 3.507 1.00 0.00 N ATOM 1795 CA MET A 118 10.877 -2.906 3.584 1.00 0.00 C ATOM 1796 C MET A 118 10.739 -3.484 4.994 1.00 0.00 C ATOM 1797 O MET A 118 11.738 -3.792 5.643 1.00 0.00 O ATOM 1798 CB MET A 118 11.085 -4.045 2.584 1.00 0.00 C ATOM 1799 CG MET A 118 10.924 -3.548 1.146 1.00 0.00 C ATOM 1800 SD MET A 118 11.746 -4.661 0.019 1.00 0.00 S ATOM 1801 CE MET A 118 10.481 -5.906 -0.167 1.00 0.00 C ATOM 0 H MET A 118 12.720 -2.244 2.839 1.00 0.00 H new ATOM 0 HA MET A 118 9.964 -2.362 3.343 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.079 -4.472 2.716 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.367 -4.841 2.780 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.866 -3.478 0.893 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.342 -2.546 1.050 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.833 -6.684 -0.845 1.00 0.00 H new ATOM 0 HE2 MET A 118 10.258 -6.346 0.805 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.579 -5.450 -0.575 1.00 0.00 H new ATOM 1811 N LEU A 119 9.493 -3.613 5.427 1.00 0.00 N ATOM 1812 CA LEU A 119 9.212 -4.148 6.748 1.00 0.00 C ATOM 1813 C LEU A 119 8.505 -5.497 6.607 1.00 0.00 C ATOM 1814 O LEU A 119 8.133 -5.895 5.504 1.00 0.00 O ATOM 1815 CB LEU A 119 8.434 -3.130 7.584 1.00 0.00 C ATOM 1816 CG LEU A 119 8.670 -1.658 7.239 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.392 -0.839 7.429 1.00 0.00 C ATOM 1818 CD2 LEU A 119 9.841 -1.088 8.043 1.00 0.00 C ATOM 0 H LEU A 119 8.667 -3.356 4.886 1.00 0.00 H new ATOM 0 HA LEU A 119 10.140 -4.329 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.370 -3.341 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.687 -3.282 8.633 1.00 0.00 H new ATOM 0 HG LEU A 119 8.940 -1.593 6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.587 0.203 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.610 -1.229 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.067 -0.907 8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.988 -0.041 7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.624 -1.167 9.108 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.747 -1.650 7.815 1.00 0.00 H new ATOM 1830 N SER A 120 8.340 -6.164 7.740 1.00 0.00 N ATOM 1831 CA SER A 120 7.683 -7.461 7.757 1.00 0.00 C ATOM 1832 C SER A 120 6.283 -7.346 7.151 1.00 0.00 C ATOM 1833 O SER A 120 5.587 -6.355 7.369 1.00 0.00 O ATOM 1834 CB SER A 120 7.602 -8.018 9.179 1.00 0.00 C ATOM 1835 OG SER A 120 8.876 -8.044 9.817 1.00 0.00 O ATOM 0 H SER A 120 8.650 -5.831 8.653 1.00 0.00 H new ATOM 0 HA SER A 120 8.275 -8.153 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.915 -7.410 9.767 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.191 -9.027 9.150 1.00 0.00 H new ATOM 0 HG SER A 120 8.781 -8.405 10.723 1.00 0.00 H new ATOM 1841 N GLU A 121 5.912 -8.373 6.401 1.00 0.00 N ATOM 1842 CA GLU A 121 4.607 -8.400 5.761 1.00 0.00 C ATOM 1843 C GLU A 121 3.611 -9.181 6.621 1.00 0.00 C ATOM 1844 O GLU A 121 2.409 -9.159 6.359 1.00 0.00 O ATOM 1845 CB GLU A 121 4.699 -8.992 4.354 1.00 0.00 C ATOM 1846 CG GLU A 121 5.413 -8.032 3.400 1.00 0.00 C ATOM 1847 CD GLU A 121 4.426 -7.038 2.783 1.00 0.00 C ATOM 1848 OE1 GLU A 121 3.811 -6.286 3.570 1.00 0.00 O ATOM 1849 OE2 GLU A 121 4.310 -7.051 1.539 1.00 0.00 O ATOM 0 H GLU A 121 6.492 -9.193 6.222 1.00 0.00 H new ATOM 0 HA GLU A 121 4.249 -7.375 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.235 -9.941 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.698 -9.205 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.191 -7.491 3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.906 -8.598 2.610 1.00 0.00 H new ATOM 1856 N GLU A 122 4.147 -9.852 7.630 1.00 0.00 N ATOM 1857 CA GLU A 122 3.320 -10.638 8.529 1.00 0.00 C ATOM 1858 C GLU A 122 2.424 -9.721 9.365 1.00 0.00 C ATOM 1859 O GLU A 122 1.243 -10.006 9.554 1.00 0.00 O ATOM 1860 CB GLU A 122 4.180 -11.530 9.427 1.00 0.00 C ATOM 1861 CG GLU A 122 4.604 -12.802 8.691 1.00 0.00 C ATOM 1862 CD GLU A 122 5.112 -13.860 9.672 1.00 0.00 C ATOM 1863 OE1 GLU A 122 5.854 -13.466 10.598 1.00 0.00 O ATOM 1864 OE2 GLU A 122 4.747 -15.039 9.475 1.00 0.00 O ATOM 0 H GLU A 122 5.144 -9.867 7.845 1.00 0.00 H new ATOM 0 HA GLU A 122 2.683 -11.288 7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.064 -10.981 9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.622 -11.794 10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.759 -13.199 8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.386 -12.565 7.969 1.00 0.00 H new ATOM 1871 N PRO A 123 3.037 -8.609 9.854 1.00 0.00 N ATOM 1872 CA PRO A 123 2.308 -7.649 10.665 1.00 0.00 C ATOM 1873 C PRO A 123 1.377 -6.797 9.800 1.00 0.00 C ATOM 1874 O PRO A 123 0.725 -5.881 10.300 1.00 0.00 O ATOM 1875 CB PRO A 123 3.381 -6.831 11.366 1.00 0.00 C ATOM 1876 CG PRO A 123 4.659 -7.053 10.573 1.00 0.00 C ATOM 1877 CD PRO A 123 4.435 -8.240 9.650 1.00 0.00 C ATOM 0 HA PRO A 123 1.651 -8.125 11.392 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.114 -5.774 11.389 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.503 -7.151 12.401 1.00 0.00 H new ATOM 0 HG2 PRO A 123 4.910 -6.163 9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.496 -7.244 11.244 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.627 -7.975 8.610 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.103 -9.065 9.897 1.00 0.00 H new ATOM 1885 N TYR A 124 1.345 -7.128 8.518 1.00 0.00 N ATOM 1886 CA TYR A 124 0.504 -6.404 7.579 1.00 0.00 C ATOM 1887 C TYR A 124 -0.168 -7.363 6.594 1.00 0.00 C ATOM 1888 O TYR A 124 -0.265 -7.068 5.403 1.00 0.00 O ATOM 1889 CB TYR A 124 1.440 -5.472 6.807 1.00 0.00 C ATOM 1890 CG TYR A 124 2.047 -4.356 7.659 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.385 -3.153 7.794 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.258 -4.552 8.292 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.957 -2.102 8.595 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.830 -3.502 9.093 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.152 -2.328 9.206 1.00 0.00 C ATOM 1896 OH TYR A 124 3.692 -1.336 9.962 1.00 0.00 O ATOM 0 H TYR A 124 1.888 -7.888 8.107 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.283 -5.864 8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.246 -6.062 6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.890 -5.025 5.979 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.438 -3.000 7.299 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.776 -5.494 8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.449 -1.156 8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.777 -3.643 9.593 1.00 0.00 H new ATOM 0 HH TYR A 124 3.336 -0.471 9.669 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.616 -8.490 7.127 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.277 -9.494 6.309 1.00 0.00 C ATOM 1908 C ILE A 125 -2.767 -9.162 6.208 1.00 0.00 C ATOM 1909 O ILE A 125 -3.345 -8.594 7.133 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.994 -10.896 6.850 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.510 -11.173 6.899 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.746 -11.957 6.044 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.092 -11.289 5.489 1.00 0.00 C ATOM 0 H ILE A 125 -0.535 -8.731 8.115 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.878 -9.483 5.295 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.364 -10.947 7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.014 -10.371 7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.696 -12.095 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.527 -12.945 6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.818 -11.769 6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.429 -11.914 5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.162 -11.486 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.603 -12.107 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.926 -10.357 4.949 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.347 -9.531 5.075 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.759 -9.280 4.841 1.00 0.00 C ATOM 1927 C HIS A 126 -5.523 -10.605 4.848 1.00 0.00 C ATOM 1928 O HIS A 126 -5.426 -11.387 3.903 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.962 -8.485 3.550 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.236 -7.675 3.522 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -7.393 -8.074 4.168 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -6.523 -6.484 2.921 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -8.327 -7.159 3.957 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -7.786 -6.175 3.184 1.00 0.00 N ATOM 0 H HIS A 126 -2.865 -10.002 4.309 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.162 -8.664 5.645 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.114 -7.814 3.411 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.964 -9.175 2.707 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -5.838 -5.893 2.331 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -9.340 -7.187 4.332 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -8.272 -5.339 2.861 1.00 0.00 H new ATOM 1942 N SER A 127 -6.267 -10.817 5.923 1.00 0.00 N ATOM 1943 CA SER A 127 -7.048 -12.034 6.066 1.00 0.00 C ATOM 1944 C SER A 127 -8.532 -11.732 5.849 1.00 0.00 C ATOM 1945 O SER A 127 -8.942 -10.572 5.867 1.00 0.00 O ATOM 1946 CB SER A 127 -6.831 -12.670 7.440 1.00 0.00 C ATOM 1947 OG SER A 127 -7.644 -12.067 8.442 1.00 0.00 O ATOM 0 H SER A 127 -6.346 -10.166 6.704 1.00 0.00 H new ATOM 0 HA SER A 127 -6.714 -12.745 5.310 1.00 0.00 H new ATOM 0 HB2 SER A 127 -7.054 -13.736 7.385 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.782 -12.578 7.721 1.00 0.00 H new ATOM 0 HG SER A 127 -7.477 -12.502 9.304 1.00 0.00 H new