USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=21 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 -62:sc= 0.611! USER MOD Set 1.2: A 80 HIS : no HE2:sc= -5.55! C(o=-5.1!,f=-18!) USER MOD Set 1.3: A 102 HIS :FLIP no HD1:sc= -0.118 F(o=-7.9,f=-5.1) USER MOD Set 2.1: A 44 CYS SG : rot 37:sc= -1.98! USER MOD Set 2.2: A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 22 THR OG1 : rot 130:sc= -0.84 USER MOD Set 3.2: A 25 ASN : amide:sc= -1.53 K(o=-2.4,f=-3.9!) USER MOD Single : A 28 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.0062) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 150:sc= -3.71! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= 0.893 (180deg=0.49!) USER MOD Single : A 64 ASN : amide:sc= 1.1 K(o=1.1,f=-0.48) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.15 K(o=-1.2,f=-4.4!) USER MOD Single : A 73 GLN : amide:sc=-0.00472 X(o=-0.0047,f=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -3.47! C(o=-5.3!,f=-3.5!) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.142 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) 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 HE2:sc= -0.213 K(o=-0.21,f=-0.93) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -160:sc= -6.44! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0804 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 14:sc= -1.4 USER MOD Single : A 126 HIS : no HD1:sc= -0.658 X(o=-0.66,f=-0.24) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 1.049 9.113 6.421 1.00 0.00 N ATOM 259 CA PRO A 21 1.155 8.103 5.381 1.00 0.00 C ATOM 260 C PRO A 21 0.520 6.786 5.830 1.00 0.00 C ATOM 261 O PRO A 21 1.222 5.807 6.080 1.00 0.00 O ATOM 262 CB PRO A 21 2.644 7.980 5.103 1.00 0.00 C ATOM 263 CG PRO A 21 3.345 8.579 6.311 1.00 0.00 C ATOM 264 CD PRO A 21 2.312 9.354 7.113 1.00 0.00 C ATOM 0 HA PRO A 21 0.615 8.374 4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.930 6.938 4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.916 8.511 4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.792 7.794 6.921 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.155 9.237 5.995 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.270 9.007 8.145 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.550 10.417 7.143 1.00 0.00 H new ATOM 272 N THR A 22 -0.802 6.803 5.918 1.00 0.00 N ATOM 273 CA THR A 22 -1.540 5.622 6.332 1.00 0.00 C ATOM 274 C THR A 22 -2.556 5.225 5.259 1.00 0.00 C ATOM 275 O THR A 22 -2.851 6.008 4.357 1.00 0.00 O ATOM 276 CB THR A 22 -2.176 5.915 7.692 1.00 0.00 C ATOM 277 OG1 THR A 22 -3.083 6.982 7.429 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.180 6.510 8.689 1.00 0.00 C ATOM 0 H THR A 22 -1.381 7.616 5.710 1.00 0.00 H new ATOM 0 HA THR A 22 -0.880 4.762 6.444 1.00 0.00 H new ATOM 0 HB THR A 22 -2.594 4.996 8.102 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.963 6.763 7.801 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.683 6.699 9.637 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.360 5.809 8.846 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.786 7.447 8.295 1.00 0.00 H new ATOM 286 N LEU A 23 -3.065 4.009 5.392 1.00 0.00 N ATOM 287 CA LEU A 23 -4.042 3.498 4.445 1.00 0.00 C ATOM 288 C LEU A 23 -5.296 4.372 4.493 1.00 0.00 C ATOM 289 O LEU A 23 -5.658 5.000 3.499 1.00 0.00 O ATOM 290 CB LEU A 23 -4.315 2.015 4.705 1.00 0.00 C ATOM 291 CG LEU A 23 -4.744 1.190 3.490 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.860 1.893 2.716 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.544 0.864 2.598 1.00 0.00 C ATOM 0 H LEU A 23 -2.819 3.362 6.142 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.653 3.553 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.413 1.568 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.092 1.937 5.465 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.148 0.242 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.146 1.285 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.723 2.031 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.507 2.865 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.876 0.277 1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.088 1.790 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.812 0.292 3.168 1.00 0.00 H new ATOM 305 N GLU A 24 -5.927 4.384 5.658 1.00 0.00 N ATOM 306 CA GLU A 24 -7.134 5.171 5.848 1.00 0.00 C ATOM 307 C GLU A 24 -6.977 6.548 5.200 1.00 0.00 C ATOM 308 O GLU A 24 -7.964 7.173 4.814 1.00 0.00 O ATOM 309 CB GLU A 24 -7.476 5.300 7.333 1.00 0.00 C ATOM 310 CG GLU A 24 -8.242 4.071 7.828 1.00 0.00 C ATOM 311 CD GLU A 24 -8.266 4.019 9.357 1.00 0.00 C ATOM 312 OE1 GLU A 24 -7.171 3.855 9.936 1.00 0.00 O ATOM 313 OE2 GLU A 24 -9.379 4.144 9.911 1.00 0.00 O ATOM 0 H GLU A 24 -5.625 3.861 6.480 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.962 4.654 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.560 5.420 7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.075 6.196 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.262 4.096 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.777 3.166 7.437 1.00 0.00 H new ATOM 320 N ASN A 25 -5.729 6.981 5.100 1.00 0.00 N ATOM 321 CA ASN A 25 -5.430 8.273 4.505 1.00 0.00 C ATOM 322 C ASN A 25 -4.524 8.072 3.288 1.00 0.00 C ATOM 323 O ASN A 25 -3.419 8.609 3.238 1.00 0.00 O ATOM 324 CB ASN A 25 -4.697 9.179 5.496 1.00 0.00 C ATOM 325 CG ASN A 25 -5.236 8.989 6.915 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.367 8.585 7.129 1.00 0.00 O ATOM 327 ND2 ASN A 25 -4.365 9.301 7.871 1.00 0.00 N ATOM 0 H ASN A 25 -4.913 6.460 5.421 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.373 8.739 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.630 8.958 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.812 10.221 5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.629 9.207 8.852 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.433 9.634 7.623 1.00 0.00 H new ATOM 334 N LEU A 26 -5.026 7.297 2.338 1.00 0.00 N ATOM 335 CA LEU A 26 -4.276 7.019 1.125 1.00 0.00 C ATOM 336 C LEU A 26 -4.532 8.131 0.106 1.00 0.00 C ATOM 337 O LEU A 26 -3.633 8.511 -0.642 1.00 0.00 O ATOM 338 CB LEU A 26 -4.603 5.619 0.603 1.00 0.00 C ATOM 339 CG LEU A 26 -3.405 4.760 0.191 1.00 0.00 C ATOM 340 CD1 LEU A 26 -3.864 3.475 -0.500 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.429 5.560 -0.675 1.00 0.00 C ATOM 0 H LEU A 26 -5.943 6.853 2.384 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.206 7.016 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.159 5.086 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.266 5.719 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.868 4.466 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.994 2.883 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.489 2.899 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.437 3.727 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.587 4.927 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.939 5.904 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.065 6.420 -0.113 1.00 0.00 H new ATOM 353 N GLU A 27 -5.763 8.621 0.110 1.00 0.00 N ATOM 354 CA GLU A 27 -6.149 9.682 -0.806 1.00 0.00 C ATOM 355 C GLU A 27 -5.407 10.975 -0.463 1.00 0.00 C ATOM 356 O GLU A 27 -5.045 11.742 -1.354 1.00 0.00 O ATOM 357 CB GLU A 27 -7.664 9.898 -0.787 1.00 0.00 C ATOM 358 CG GLU A 27 -8.396 8.700 -1.394 1.00 0.00 C ATOM 359 CD GLU A 27 -9.576 9.157 -2.255 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.272 10.095 -1.811 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.754 8.557 -3.337 1.00 0.00 O ATOM 0 H GLU A 27 -6.506 8.303 0.732 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.870 9.383 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.000 10.053 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.913 10.801 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.704 8.115 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.753 8.046 -0.598 1.00 0.00 H new ATOM 368 N ASN A 28 -5.201 11.177 0.831 1.00 0.00 N ATOM 369 CA ASN A 28 -4.508 12.363 1.302 1.00 0.00 C ATOM 370 C ASN A 28 -3.093 11.982 1.742 1.00 0.00 C ATOM 371 O ASN A 28 -2.584 12.506 2.731 1.00 0.00 O ATOM 372 CB ASN A 28 -5.226 12.980 2.504 1.00 0.00 C ATOM 373 CG ASN A 28 -5.368 14.494 2.340 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.022 14.989 1.436 1.00 0.00 O ATOM 375 ND2 ASN A 28 -4.721 15.201 3.262 1.00 0.00 N ATOM 0 H ASN A 28 -5.502 10.539 1.567 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.484 13.085 0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.212 12.529 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.671 12.760 3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.754 16.220 3.239 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.192 14.724 3.992 1.00 0.00 H new ATOM 382 N LEU A 29 -2.498 11.071 0.986 1.00 0.00 N ATOM 383 CA LEU A 29 -1.152 10.613 1.285 1.00 0.00 C ATOM 384 C LEU A 29 -0.160 11.318 0.358 1.00 0.00 C ATOM 385 O LEU A 29 -0.413 11.456 -0.838 1.00 0.00 O ATOM 386 CB LEU A 29 -1.078 9.086 1.218 1.00 0.00 C ATOM 387 CG LEU A 29 0.325 8.487 1.099 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.202 8.908 2.280 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.260 6.966 0.947 1.00 0.00 C ATOM 0 H LEU A 29 -2.924 10.638 0.167 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.878 10.878 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.550 8.680 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.668 8.751 0.365 1.00 0.00 H new ATOM 0 HG LEU A 29 0.790 8.881 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.194 8.469 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.286 9.995 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.751 8.561 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.270 6.565 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.232 6.534 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.305 6.714 0.050 1.00 0.00 H new ATOM 401 N ASP A 30 0.949 11.744 0.945 1.00 0.00 N ATOM 402 CA ASP A 30 1.980 12.432 0.186 1.00 0.00 C ATOM 403 C ASP A 30 3.078 11.436 -0.192 1.00 0.00 C ATOM 404 O ASP A 30 3.960 11.143 0.615 1.00 0.00 O ATOM 405 CB ASP A 30 2.619 13.549 1.013 1.00 0.00 C ATOM 406 CG ASP A 30 3.793 14.262 0.338 1.00 0.00 C ATOM 407 OD1 ASP A 30 4.091 13.894 -0.819 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.365 15.159 0.994 1.00 0.00 O ATOM 0 H ASP A 30 1.156 11.626 1.937 1.00 0.00 H new ATOM 0 HA ASP A 30 1.516 12.861 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.854 14.287 1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.963 13.129 1.958 1.00 0.00 H new ATOM 413 N VAL A 31 2.989 10.942 -1.418 1.00 0.00 N ATOM 414 CA VAL A 31 3.964 9.985 -1.913 1.00 0.00 C ATOM 415 C VAL A 31 5.309 10.688 -2.106 1.00 0.00 C ATOM 416 O VAL A 31 6.350 10.036 -2.172 1.00 0.00 O ATOM 417 CB VAL A 31 3.446 9.323 -3.191 1.00 0.00 C ATOM 418 CG1 VAL A 31 3.160 10.368 -4.272 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.427 8.264 -3.697 1.00 0.00 C ATOM 0 H VAL A 31 2.256 11.187 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 31 4.116 9.185 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 31 2.508 8.822 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.793 9.871 -5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.407 11.068 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.076 10.910 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.034 7.809 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.388 8.731 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.558 7.496 -2.935 1.00 0.00 H new ATOM 429 N SER A 32 5.244 12.009 -2.192 1.00 0.00 N ATOM 430 CA SER A 32 6.444 12.807 -2.377 1.00 0.00 C ATOM 431 C SER A 32 7.076 13.124 -1.020 1.00 0.00 C ATOM 432 O SER A 32 8.039 13.885 -0.943 1.00 0.00 O ATOM 433 CB SER A 32 6.134 14.100 -3.133 1.00 0.00 C ATOM 434 OG SER A 32 6.773 14.142 -4.406 1.00 0.00 O ATOM 0 H SER A 32 4.379 12.546 -2.137 1.00 0.00 H new ATOM 0 HA SER A 32 7.150 12.230 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.056 14.193 -3.266 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.456 14.954 -2.537 1.00 0.00 H new ATOM 0 HG SER A 32 6.548 14.982 -4.857 1.00 0.00 H new ATOM 440 N ALA A 33 6.508 12.523 0.016 1.00 0.00 N ATOM 441 CA ALA A 33 7.004 12.732 1.365 1.00 0.00 C ATOM 442 C ALA A 33 8.026 11.645 1.702 1.00 0.00 C ATOM 443 O ALA A 33 9.084 11.933 2.259 1.00 0.00 O ATOM 444 CB ALA A 33 5.828 12.750 2.344 1.00 0.00 C ATOM 0 H ALA A 33 5.710 11.892 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 33 7.509 13.695 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.200 12.907 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.146 13.558 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.299 11.798 2.295 1.00 0.00 H new ATOM 450 N PHE A 34 7.674 10.417 1.350 1.00 0.00 N ATOM 451 CA PHE A 34 8.548 9.285 1.608 1.00 0.00 C ATOM 452 C PHE A 34 9.981 9.586 1.165 1.00 0.00 C ATOM 453 O PHE A 34 10.232 9.833 -0.014 1.00 0.00 O ATOM 454 CB PHE A 34 8.010 8.109 0.789 1.00 0.00 C ATOM 455 CG PHE A 34 6.595 7.676 1.177 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.360 7.150 2.409 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.574 7.816 0.291 1.00 0.00 C ATOM 458 CE1 PHE A 34 5.046 6.747 2.770 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.261 7.413 0.651 1.00 0.00 C ATOM 460 CZ PHE A 34 4.025 6.887 1.883 1.00 0.00 C ATOM 0 H PHE A 34 6.796 10.181 0.888 1.00 0.00 H new ATOM 0 HA PHE A 34 8.565 9.064 2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.019 8.380 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.684 7.260 0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.172 7.039 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.761 8.234 -0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.858 6.330 3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.450 7.524 -0.053 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.026 6.580 2.157 1.00 0.00 H new ATOM 470 N GLN A 35 10.884 9.557 2.134 1.00 0.00 N ATOM 471 CA GLN A 35 12.286 9.824 1.859 1.00 0.00 C ATOM 472 C GLN A 35 13.003 8.534 1.455 1.00 0.00 C ATOM 473 O GLN A 35 14.191 8.553 1.137 1.00 0.00 O ATOM 474 CB GLN A 35 12.967 10.475 3.065 1.00 0.00 C ATOM 475 CG GLN A 35 14.471 10.194 3.063 1.00 0.00 C ATOM 476 CD GLN A 35 15.180 11.000 4.153 1.00 0.00 C ATOM 477 OE1 GLN A 35 14.569 11.715 4.930 1.00 0.00 O ATOM 478 NE2 GLN A 35 16.501 10.846 4.166 1.00 0.00 N ATOM 0 H GLN A 35 10.672 9.353 3.111 1.00 0.00 H new ATOM 0 HA GLN A 35 12.346 10.526 1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.794 11.551 3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.524 10.096 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.646 9.130 3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.890 10.445 2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.950 10.231 3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.066 11.342 4.855 1.00 0.00 H new ATOM 487 N ALA A 36 12.250 7.443 1.481 1.00 0.00 N ATOM 488 CA ALA A 36 12.799 6.147 1.121 1.00 0.00 C ATOM 489 C ALA A 36 13.628 6.286 -0.157 1.00 0.00 C ATOM 490 O ALA A 36 13.597 7.326 -0.812 1.00 0.00 O ATOM 491 CB ALA A 36 11.661 5.135 0.971 1.00 0.00 C ATOM 0 H ALA A 36 11.265 7.431 1.746 1.00 0.00 H new ATOM 0 HA ALA A 36 13.461 5.779 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.072 4.162 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.122 5.052 1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.977 5.469 0.191 1.00 0.00 H new ATOM 497 N PRO A 37 14.371 5.193 -0.482 1.00 0.00 N ATOM 498 CA PRO A 37 15.207 5.183 -1.670 1.00 0.00 C ATOM 499 C PRO A 37 14.361 5.028 -2.935 1.00 0.00 C ATOM 500 O PRO A 37 13.239 4.528 -2.878 1.00 0.00 O ATOM 501 CB PRO A 37 16.177 4.032 -1.458 1.00 0.00 C ATOM 502 CG PRO A 37 15.554 3.154 -0.386 1.00 0.00 C ATOM 503 CD PRO A 37 14.433 3.944 0.270 1.00 0.00 C ATOM 0 HA PRO A 37 15.746 6.119 -1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.328 3.473 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.154 4.398 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.167 2.234 -0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.301 2.866 0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.487 3.405 0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.641 4.126 1.324 1.00 0.00 H new ATOM 511 N GLU A 38 14.932 5.465 -4.048 1.00 0.00 N ATOM 512 CA GLU A 38 14.244 5.381 -5.325 1.00 0.00 C ATOM 513 C GLU A 38 14.234 3.936 -5.828 1.00 0.00 C ATOM 514 O GLU A 38 13.660 3.643 -6.876 1.00 0.00 O ATOM 515 CB GLU A 38 14.883 6.315 -6.354 1.00 0.00 C ATOM 516 CG GLU A 38 14.570 7.778 -6.035 1.00 0.00 C ATOM 517 CD GLU A 38 14.190 8.547 -7.303 1.00 0.00 C ATOM 518 OE1 GLU A 38 15.110 8.799 -8.110 1.00 0.00 O ATOM 519 OE2 GLU A 38 12.988 8.864 -7.435 1.00 0.00 O ATOM 0 H GLU A 38 15.863 5.878 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 38 13.212 5.703 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.963 6.165 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.516 6.070 -7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.753 7.830 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.437 8.246 -5.568 1.00 0.00 H new ATOM 526 N ASP A 39 14.875 3.070 -5.056 1.00 0.00 N ATOM 527 CA ASP A 39 14.947 1.663 -5.411 1.00 0.00 C ATOM 528 C ASP A 39 14.440 0.820 -4.239 1.00 0.00 C ATOM 529 O ASP A 39 14.848 -0.329 -4.073 1.00 0.00 O ATOM 530 CB ASP A 39 16.388 1.242 -5.706 1.00 0.00 C ATOM 531 CG ASP A 39 17.372 2.397 -5.903 1.00 0.00 C ATOM 532 OD1 ASP A 39 17.801 2.958 -4.872 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.672 2.693 -7.079 1.00 0.00 O ATOM 0 H ASP A 39 15.349 3.316 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 39 14.337 1.508 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.743 0.618 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.393 0.623 -6.603 1.00 0.00 H new ATOM 538 N LEU A 40 13.557 1.423 -3.456 1.00 0.00 N ATOM 539 CA LEU A 40 12.990 0.742 -2.305 1.00 0.00 C ATOM 540 C LEU A 40 12.553 -0.666 -2.714 1.00 0.00 C ATOM 541 O LEU A 40 13.077 -1.655 -2.203 1.00 0.00 O ATOM 542 CB LEU A 40 11.867 1.579 -1.687 1.00 0.00 C ATOM 543 CG LEU A 40 11.220 1.006 -0.425 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.273 0.717 0.648 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.114 1.928 0.092 1.00 0.00 C ATOM 0 H LEU A 40 13.221 2.376 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 40 13.740 0.628 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.264 2.566 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.090 1.719 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 40 10.752 0.056 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.787 0.310 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.993 -0.006 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.790 1.641 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.671 1.497 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.536 2.905 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.346 2.040 -0.674 1.00 0.00 H new ATOM 557 N LEU A 41 11.599 -0.712 -3.632 1.00 0.00 N ATOM 558 CA LEU A 41 11.086 -1.982 -4.116 1.00 0.00 C ATOM 559 C LEU A 41 11.716 -2.297 -5.474 1.00 0.00 C ATOM 560 O LEU A 41 11.036 -2.775 -6.381 1.00 0.00 O ATOM 561 CB LEU A 41 9.556 -1.971 -4.135 1.00 0.00 C ATOM 562 CG LEU A 41 8.881 -0.999 -3.165 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.557 -0.487 -3.736 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.702 -1.636 -1.786 1.00 0.00 C ATOM 0 H LEU A 41 11.168 0.111 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 41 11.367 -2.789 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.227 -1.732 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.202 -2.978 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 41 9.533 -0.135 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.097 0.202 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.743 0.031 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.887 -1.328 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.220 -0.924 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.082 -2.528 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.677 -1.911 -1.383 1.00 0.00 H new ATOM 576 N ASP A 42 13.007 -2.018 -5.571 1.00 0.00 N ATOM 577 CA ASP A 42 13.736 -2.265 -6.803 1.00 0.00 C ATOM 578 C ASP A 42 13.388 -3.661 -7.325 1.00 0.00 C ATOM 579 O ASP A 42 13.474 -4.642 -6.587 1.00 0.00 O ATOM 580 CB ASP A 42 15.247 -2.211 -6.570 1.00 0.00 C ATOM 581 CG ASP A 42 16.094 -2.878 -7.656 1.00 0.00 C ATOM 582 OD1 ASP A 42 15.628 -2.881 -8.816 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.187 -3.369 -7.301 1.00 0.00 O ATOM 0 H ASP A 42 13.567 -1.623 -4.816 1.00 0.00 H new ATOM 0 HA ASP A 42 13.454 -1.495 -7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.549 -1.167 -6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.469 -2.686 -5.614 1.00 0.00 H new ATOM 588 N GLY A 43 13.003 -3.706 -8.591 1.00 0.00 N ATOM 589 CA GLY A 43 12.643 -4.965 -9.220 1.00 0.00 C ATOM 590 C GLY A 43 11.641 -5.740 -8.361 1.00 0.00 C ATOM 591 O GLY A 43 11.763 -6.954 -8.202 1.00 0.00 O ATOM 0 H GLY A 43 12.932 -2.890 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.214 -4.775 -10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.538 -5.568 -9.374 1.00 0.00 H new ATOM 595 N CYS A 44 10.675 -5.006 -7.829 1.00 0.00 N ATOM 596 CA CYS A 44 9.653 -5.609 -6.990 1.00 0.00 C ATOM 597 C CYS A 44 8.292 -5.379 -7.649 1.00 0.00 C ATOM 598 O CYS A 44 7.804 -4.250 -7.695 1.00 0.00 O ATOM 599 CB CYS A 44 9.696 -5.059 -5.562 1.00 0.00 C ATOM 600 SG CYS A 44 11.374 -5.270 -4.861 1.00 0.00 S ATOM 0 H CYS A 44 10.578 -3.999 -7.962 1.00 0.00 H new ATOM 0 HA CYS A 44 9.837 -6.680 -6.903 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.423 -4.004 -5.561 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.966 -5.578 -4.941 1.00 0.00 H new ATOM 0 HG CYS A 44 12.261 -5.074 -5.791 1.00 0.00 H new ATOM 606 N ARG A 45 7.718 -6.466 -8.143 1.00 0.00 N ATOM 607 CA ARG A 45 6.422 -6.396 -8.798 1.00 0.00 C ATOM 608 C ARG A 45 5.304 -6.679 -7.793 1.00 0.00 C ATOM 609 O ARG A 45 5.143 -7.812 -7.341 1.00 0.00 O ATOM 610 CB ARG A 45 6.332 -7.400 -9.948 1.00 0.00 C ATOM 611 CG ARG A 45 7.177 -6.947 -11.140 1.00 0.00 C ATOM 612 CD ARG A 45 7.513 -8.126 -12.055 1.00 0.00 C ATOM 613 NE ARG A 45 8.955 -8.114 -12.387 1.00 0.00 N ATOM 614 CZ ARG A 45 9.529 -7.226 -13.210 1.00 0.00 C ATOM 615 NH1 ARG A 45 8.787 -6.273 -13.790 1.00 0.00 N ATOM 616 NH2 ARG A 45 10.845 -7.291 -13.454 1.00 0.00 N ATOM 0 H ARG A 45 8.126 -7.400 -8.103 1.00 0.00 H new ATOM 0 HA ARG A 45 6.307 -5.389 -9.200 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.671 -8.379 -9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.293 -7.513 -10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.637 -6.187 -11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.098 -6.486 -10.783 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.252 -9.064 -11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.921 -8.069 -12.968 1.00 0.00 H new ATOM 0 HE ARG A 45 9.549 -8.826 -11.963 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.785 -6.223 -13.605 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.224 -5.597 -14.416 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.410 -8.017 -13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.282 -6.615 -14.081 1.00 0.00 H new ATOM 630 N ILE A 46 4.559 -5.631 -7.474 1.00 0.00 N ATOM 631 CA ILE A 46 3.460 -5.753 -6.531 1.00 0.00 C ATOM 632 C ILE A 46 2.134 -5.597 -7.277 1.00 0.00 C ATOM 633 O ILE A 46 2.020 -4.771 -8.181 1.00 0.00 O ATOM 634 CB ILE A 46 3.635 -4.766 -5.374 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.070 -4.789 -4.845 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.612 -5.032 -4.268 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.718 -3.408 -4.958 1.00 0.00 C ATOM 0 H ILE A 46 4.695 -4.693 -7.852 1.00 0.00 H new ATOM 0 HA ILE A 46 3.456 -6.744 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 46 3.448 -3.761 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.072 -5.112 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.656 -5.517 -5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.758 -4.317 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.605 -4.924 -4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.744 -6.045 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.738 -3.452 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.736 -3.099 -6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.143 -2.688 -4.376 1.00 0.00 H new ATOM 649 N TYR A 47 1.165 -6.404 -6.871 1.00 0.00 N ATOM 650 CA TYR A 47 -0.149 -6.367 -7.490 1.00 0.00 C ATOM 651 C TYR A 47 -1.101 -5.464 -6.703 1.00 0.00 C ATOM 652 O TYR A 47 -1.439 -5.761 -5.558 1.00 0.00 O ATOM 653 CB TYR A 47 -0.676 -7.803 -7.449 1.00 0.00 C ATOM 654 CG TYR A 47 -2.083 -7.966 -8.028 1.00 0.00 C ATOM 655 CD1 TYR A 47 -3.185 -7.634 -7.266 1.00 0.00 C ATOM 656 CD2 TYR A 47 -2.250 -8.445 -9.311 1.00 0.00 C ATOM 657 CE1 TYR A 47 -4.509 -7.788 -7.811 1.00 0.00 C ATOM 658 CE2 TYR A 47 -3.574 -8.599 -9.856 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.638 -8.263 -9.078 1.00 0.00 C ATOM 660 OH TYR A 47 -5.889 -8.408 -9.593 1.00 0.00 O ATOM 0 H TYR A 47 1.264 -7.088 -6.121 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.084 -5.975 -8.505 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.010 -8.447 -8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.677 -8.149 -6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.054 -7.259 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.387 -8.705 -9.907 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.380 -7.532 -7.226 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.719 -8.973 -10.859 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.828 -8.756 -10.507 1.00 0.00 H new ATOM 670 N LEU A 48 -1.506 -4.380 -7.347 1.00 0.00 N ATOM 671 CA LEU A 48 -2.412 -3.432 -6.721 1.00 0.00 C ATOM 672 C LEU A 48 -3.853 -3.912 -6.906 1.00 0.00 C ATOM 673 O LEU A 48 -4.340 -4.005 -8.032 1.00 0.00 O ATOM 674 CB LEU A 48 -2.161 -2.019 -7.254 1.00 0.00 C ATOM 675 CG LEU A 48 -0.864 -1.350 -6.795 1.00 0.00 C ATOM 676 CD1 LEU A 48 -0.715 0.041 -7.415 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.779 -1.309 -5.268 1.00 0.00 C ATOM 0 H LEU A 48 -1.223 -4.137 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.228 -3.381 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.161 -2.058 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.998 -1.386 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.026 -1.951 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.215 0.494 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.698 -0.045 -8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.556 0.666 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.152 -0.829 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.623 -0.744 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.806 -2.325 -4.875 1.00 0.00 H new ATOM 689 N CYS A 49 -4.494 -4.204 -5.784 1.00 0.00 N ATOM 690 CA CYS A 49 -5.869 -4.672 -5.808 1.00 0.00 C ATOM 691 C CYS A 49 -6.735 -3.658 -5.059 1.00 0.00 C ATOM 692 O CYS A 49 -6.218 -2.824 -4.316 1.00 0.00 O ATOM 693 CB CYS A 49 -5.998 -6.078 -5.219 1.00 0.00 C ATOM 694 SG CYS A 49 -7.500 -6.895 -5.873 1.00 0.00 S ATOM 0 H CYS A 49 -4.086 -4.125 -4.852 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.212 -4.749 -6.840 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.116 -6.668 -5.468 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.048 -6.023 -4.132 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.308 -8.180 -5.924 1.00 0.00 H new ATOM 700 N GLY A 50 -8.037 -3.762 -5.279 1.00 0.00 N ATOM 701 CA GLY A 50 -8.980 -2.864 -4.633 1.00 0.00 C ATOM 702 C GLY A 50 -8.810 -1.432 -5.144 1.00 0.00 C ATOM 703 O GLY A 50 -9.708 -0.887 -5.786 1.00 0.00 O ATOM 0 H GLY A 50 -8.462 -4.455 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.999 -3.203 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.831 -2.889 -3.554 1.00 0.00 H new ATOM 707 N PHE A 51 -7.653 -0.862 -4.841 1.00 0.00 N ATOM 708 CA PHE A 51 -7.354 0.496 -5.262 1.00 0.00 C ATOM 709 C PHE A 51 -7.913 0.773 -6.659 1.00 0.00 C ATOM 710 O PHE A 51 -7.866 -0.091 -7.533 1.00 0.00 O ATOM 711 CB PHE A 51 -5.831 0.628 -5.300 1.00 0.00 C ATOM 712 CG PHE A 51 -5.130 0.122 -4.037 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.497 0.601 -2.818 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.141 -0.807 -4.133 1.00 0.00 C ATOM 715 CE1 PHE A 51 -4.847 0.132 -1.646 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.491 -1.276 -2.961 1.00 0.00 C ATOM 717 CZ PHE A 51 -3.858 -0.797 -1.742 1.00 0.00 C ATOM 0 H PHE A 51 -6.911 -1.316 -4.309 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.807 1.207 -4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.450 0.077 -6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.571 1.676 -5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.283 1.338 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.850 -1.188 -5.101 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.138 0.513 -0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.705 -2.013 -3.037 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.364 -1.154 -0.850 1.00 0.00 H new ATOM 727 N SER A 52 -8.430 1.981 -6.826 1.00 0.00 N ATOM 728 CA SER A 52 -8.998 2.383 -8.101 1.00 0.00 C ATOM 729 C SER A 52 -8.979 3.908 -8.226 1.00 0.00 C ATOM 730 O SER A 52 -8.536 4.446 -9.239 1.00 0.00 O ATOM 731 CB SER A 52 -10.425 1.855 -8.260 1.00 0.00 C ATOM 732 OG SER A 52 -10.828 1.806 -9.626 1.00 0.00 O ATOM 0 H SER A 52 -8.467 2.695 -6.099 1.00 0.00 H new ATOM 0 HA SER A 52 -8.390 1.952 -8.896 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.493 0.857 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.111 2.492 -7.702 1.00 0.00 H new ATOM 0 HG SER A 52 -11.744 1.462 -9.685 1.00 0.00 H new ATOM 738 N GLY A 53 -9.466 4.561 -7.181 1.00 0.00 N ATOM 739 CA GLY A 53 -9.510 6.013 -7.160 1.00 0.00 C ATOM 740 C GLY A 53 -8.110 6.602 -6.975 1.00 0.00 C ATOM 741 O GLY A 53 -7.241 6.425 -7.826 1.00 0.00 O ATOM 0 H GLY A 53 -9.834 4.111 -6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.943 6.381 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.159 6.349 -6.352 1.00 0.00 H new ATOM 745 N ARG A 54 -7.936 7.290 -5.856 1.00 0.00 N ATOM 746 CA ARG A 54 -6.657 7.906 -5.548 1.00 0.00 C ATOM 747 C ARG A 54 -5.696 6.870 -4.961 1.00 0.00 C ATOM 748 O ARG A 54 -4.523 6.828 -5.328 1.00 0.00 O ATOM 749 CB ARG A 54 -6.825 9.057 -4.553 1.00 0.00 C ATOM 750 CG ARG A 54 -7.118 10.371 -5.279 1.00 0.00 C ATOM 751 CD ARG A 54 -7.507 11.470 -4.288 1.00 0.00 C ATOM 752 NE ARG A 54 -8.738 12.152 -4.746 1.00 0.00 N ATOM 753 CZ ARG A 54 -9.108 13.379 -4.353 1.00 0.00 C ATOM 754 NH1 ARG A 54 -8.344 14.064 -3.491 1.00 0.00 N ATOM 755 NH2 ARG A 54 -10.241 13.919 -4.820 1.00 0.00 N ATOM 0 H ARG A 54 -8.660 7.434 -5.152 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.247 8.301 -6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.637 8.830 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.919 9.161 -3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.240 10.681 -5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.924 10.222 -5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.666 11.040 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.695 12.191 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.343 11.657 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.482 13.652 -3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.625 14.998 -3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.823 13.397 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.522 14.853 -4.521 1.00 0.00 H new ATOM 769 N LYS A 55 -6.230 6.059 -4.059 1.00 0.00 N ATOM 770 CA LYS A 55 -5.435 5.026 -3.418 1.00 0.00 C ATOM 771 C LYS A 55 -4.507 4.387 -4.453 1.00 0.00 C ATOM 772 O LYS A 55 -3.348 4.099 -4.159 1.00 0.00 O ATOM 773 CB LYS A 55 -6.339 4.022 -2.700 1.00 0.00 C ATOM 774 CG LYS A 55 -7.359 4.739 -1.814 1.00 0.00 C ATOM 775 CD LYS A 55 -7.842 3.827 -0.685 1.00 0.00 C ATOM 776 CE LYS A 55 -7.876 4.576 0.649 1.00 0.00 C ATOM 777 NZ LYS A 55 -9.150 4.318 1.356 1.00 0.00 N ATOM 0 H LYS A 55 -7.204 6.097 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.801 5.459 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.859 3.406 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.732 3.351 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.911 5.639 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.209 5.058 -2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.837 3.449 -0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.183 2.963 -0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.038 4.261 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.760 5.646 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.156 4.834 2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.945 4.640 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.245 3.299 1.539 1.00 0.00 H new ATOM 791 N LEU A 56 -5.052 4.184 -5.644 1.00 0.00 N ATOM 792 CA LEU A 56 -4.287 3.584 -6.724 1.00 0.00 C ATOM 793 C LEU A 56 -3.251 4.589 -7.229 1.00 0.00 C ATOM 794 O LEU A 56 -2.048 4.357 -7.116 1.00 0.00 O ATOM 795 CB LEU A 56 -5.222 3.063 -7.818 1.00 0.00 C ATOM 796 CG LEU A 56 -4.554 2.309 -8.969 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.587 1.248 -8.441 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.599 1.713 -9.914 1.00 0.00 C ATOM 0 H LEU A 56 -6.014 4.424 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.738 2.714 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.957 2.404 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.769 3.909 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.966 3.021 -9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.126 0.727 -9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.813 1.727 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.132 0.533 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.097 1.182 -10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.234 1.019 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.212 2.513 -10.330 1.00 0.00 H new ATOM 810 N ASP A 57 -3.754 5.686 -7.776 1.00 0.00 N ATOM 811 CA ASP A 57 -2.887 6.728 -8.298 1.00 0.00 C ATOM 812 C ASP A 57 -1.694 6.912 -7.358 1.00 0.00 C ATOM 813 O ASP A 57 -0.552 6.995 -7.807 1.00 0.00 O ATOM 814 CB ASP A 57 -3.626 8.065 -8.392 1.00 0.00 C ATOM 815 CG ASP A 57 -2.730 9.285 -8.614 1.00 0.00 C ATOM 816 OD1 ASP A 57 -1.637 9.089 -9.188 1.00 0.00 O ATOM 817 OD2 ASP A 57 -3.158 10.385 -8.204 1.00 0.00 O ATOM 0 H ASP A 57 -4.752 5.876 -7.869 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.560 6.426 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.346 8.008 -9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.196 8.213 -7.475 1.00 0.00 H new ATOM 822 N LYS A 58 -2.000 6.970 -6.070 1.00 0.00 N ATOM 823 CA LYS A 58 -0.968 7.143 -5.063 1.00 0.00 C ATOM 824 C LYS A 58 0.065 6.022 -5.199 1.00 0.00 C ATOM 825 O LYS A 58 1.236 6.281 -5.468 1.00 0.00 O ATOM 826 CB LYS A 58 -1.590 7.239 -3.668 1.00 0.00 C ATOM 827 CG LYS A 58 -2.303 8.579 -3.477 1.00 0.00 C ATOM 828 CD LYS A 58 -1.325 9.659 -3.010 1.00 0.00 C ATOM 829 CE LYS A 58 -2.040 10.996 -2.806 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.133 12.122 -3.120 1.00 0.00 N ATOM 0 H LYS A 58 -2.948 6.900 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.440 8.084 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.298 6.423 -3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.814 7.125 -2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.767 8.885 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.104 8.468 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.854 9.349 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.529 9.777 -3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.923 11.044 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.386 11.077 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.694 12.973 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.512 12.305 -2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.554 11.881 -3.950 1.00 0.00 H new ATOM 844 N LEU A 59 -0.408 4.799 -5.007 1.00 0.00 N ATOM 845 CA LEU A 59 0.459 3.637 -5.106 1.00 0.00 C ATOM 846 C LEU A 59 1.271 3.721 -6.400 1.00 0.00 C ATOM 847 O LEU A 59 2.493 3.583 -6.380 1.00 0.00 O ATOM 848 CB LEU A 59 -0.354 2.348 -4.972 1.00 0.00 C ATOM 849 CG LEU A 59 -0.868 2.022 -3.568 1.00 0.00 C ATOM 850 CD1 LEU A 59 -1.779 0.793 -3.590 1.00 0.00 C ATOM 851 CD2 LEU A 59 0.293 1.857 -2.585 1.00 0.00 C ATOM 0 H LEU A 59 -1.380 4.588 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 59 1.172 3.623 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.209 2.410 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.262 1.516 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.469 2.862 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.131 0.583 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.633 0.985 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.223 -0.065 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.099 1.626 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.939 1.045 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.867 2.783 -2.541 1.00 0.00 H new ATOM 863 N ARG A 60 0.559 3.945 -7.494 1.00 0.00 N ATOM 864 CA ARG A 60 1.198 4.049 -8.795 1.00 0.00 C ATOM 865 C ARG A 60 2.463 4.904 -8.698 1.00 0.00 C ATOM 866 O ARG A 60 3.389 4.742 -9.492 1.00 0.00 O ATOM 867 CB ARG A 60 0.252 4.665 -9.827 1.00 0.00 C ATOM 868 CG ARG A 60 -0.715 3.616 -10.380 1.00 0.00 C ATOM 869 CD ARG A 60 -1.770 4.263 -11.279 1.00 0.00 C ATOM 870 NE ARG A 60 -1.171 4.625 -12.583 1.00 0.00 N ATOM 871 CZ ARG A 60 -1.846 5.205 -13.584 1.00 0.00 C ATOM 872 NH1 ARG A 60 -3.146 5.493 -13.438 1.00 0.00 N ATOM 873 NH2 ARG A 60 -1.220 5.498 -14.733 1.00 0.00 N ATOM 0 H ARG A 60 -0.455 4.057 -7.507 1.00 0.00 H new ATOM 0 HA ARG A 60 1.460 3.041 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.311 5.478 -9.369 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.831 5.098 -10.643 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.160 2.867 -10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.204 3.096 -9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.602 3.575 -11.430 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.175 5.152 -10.796 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.182 4.420 -12.729 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.623 5.271 -12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.659 5.935 -14.201 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.230 5.279 -14.845 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.734 5.940 -15.495 1.00 0.00 H new ATOM 887 N ARG A 61 2.463 5.796 -7.718 1.00 0.00 N ATOM 888 CA ARG A 61 3.598 6.677 -7.508 1.00 0.00 C ATOM 889 C ARG A 61 4.571 6.058 -6.502 1.00 0.00 C ATOM 890 O ARG A 61 5.786 6.155 -6.667 1.00 0.00 O ATOM 891 CB ARG A 61 3.146 8.045 -6.994 1.00 0.00 C ATOM 892 CG ARG A 61 2.255 8.749 -8.019 1.00 0.00 C ATOM 893 CD ARG A 61 1.973 10.194 -7.601 1.00 0.00 C ATOM 894 NE ARG A 61 1.180 10.878 -8.646 1.00 0.00 N ATOM 895 CZ ARG A 61 1.039 12.208 -8.733 1.00 0.00 C ATOM 896 NH1 ARG A 61 1.638 13.004 -7.837 1.00 0.00 N ATOM 897 NH2 ARG A 61 0.300 12.740 -9.715 1.00 0.00 N ATOM 0 H ARG A 61 1.694 5.927 -7.061 1.00 0.00 H new ATOM 0 HA ARG A 61 4.097 6.809 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.603 7.924 -6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.018 8.663 -6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.739 8.737 -8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.315 8.207 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.432 10.208 -6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.912 10.724 -7.440 1.00 0.00 H new ATOM 0 HE ARG A 61 0.711 10.301 -9.344 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.201 12.598 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.531 14.016 -7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.155 12.133 -10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.193 13.752 -9.781 1.00 0.00 H new ATOM 911 N LEU A 62 4.000 5.435 -5.481 1.00 0.00 N ATOM 912 CA LEU A 62 4.801 4.800 -4.449 1.00 0.00 C ATOM 913 C LEU A 62 5.593 3.644 -5.063 1.00 0.00 C ATOM 914 O LEU A 62 6.823 3.668 -5.077 1.00 0.00 O ATOM 915 CB LEU A 62 3.922 4.385 -3.268 1.00 0.00 C ATOM 916 CG LEU A 62 3.647 5.467 -2.222 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.245 6.055 -2.396 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.873 4.932 -0.807 1.00 0.00 C ATOM 0 H LEU A 62 2.992 5.357 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 62 5.527 5.504 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.967 4.034 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.394 3.538 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 62 4.358 6.279 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.076 6.822 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.157 6.498 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.503 5.265 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.671 5.721 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.203 4.092 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.906 4.601 -0.704 1.00 0.00 H new ATOM 930 N ILE A 63 4.856 2.659 -5.555 1.00 0.00 N ATOM 931 CA ILE A 63 5.474 1.496 -6.168 1.00 0.00 C ATOM 932 C ILE A 63 6.532 1.956 -7.173 1.00 0.00 C ATOM 933 O ILE A 63 7.532 1.272 -7.384 1.00 0.00 O ATOM 934 CB ILE A 63 4.408 0.580 -6.774 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.598 -0.118 -5.679 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.034 -0.420 -7.749 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.098 0.109 -5.877 1.00 0.00 C ATOM 0 H ILE A 63 3.836 2.643 -5.541 1.00 0.00 H new ATOM 0 HA ILE A 63 5.987 0.897 -5.416 1.00 0.00 H new ATOM 0 HB ILE A 63 3.714 1.196 -7.346 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.812 -1.187 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.901 0.259 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.255 -1.059 -8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.530 0.120 -8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.764 -1.034 -7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.546 -0.398 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.884 1.177 -5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.794 -0.291 -6.844 1.00 0.00 H new ATOM 949 N ASN A 64 6.275 3.113 -7.767 1.00 0.00 N ATOM 950 CA ASN A 64 7.192 3.673 -8.744 1.00 0.00 C ATOM 951 C ASN A 64 8.364 4.336 -8.016 1.00 0.00 C ATOM 952 O ASN A 64 9.522 4.120 -8.371 1.00 0.00 O ATOM 953 CB ASN A 64 6.504 4.738 -9.599 1.00 0.00 C ATOM 954 CG ASN A 64 6.300 4.243 -11.033 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.234 3.893 -11.735 1.00 0.00 O ATOM 956 ND2 ASN A 64 5.029 4.232 -11.426 1.00 0.00 N ATOM 0 H ASN A 64 5.444 3.677 -7.590 1.00 0.00 H new ATOM 0 HA ASN A 64 7.536 2.862 -9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.541 4.996 -9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.105 5.647 -9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.789 3.917 -12.366 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.295 4.538 -10.787 1.00 0.00 H new ATOM 963 N SER A 65 8.022 5.129 -7.012 1.00 0.00 N ATOM 964 CA SER A 65 9.031 5.825 -6.231 1.00 0.00 C ATOM 965 C SER A 65 10.059 4.826 -5.696 1.00 0.00 C ATOM 966 O SER A 65 11.263 5.047 -5.812 1.00 0.00 O ATOM 967 CB SER A 65 8.395 6.603 -5.077 1.00 0.00 C ATOM 968 OG SER A 65 9.067 7.834 -4.829 1.00 0.00 O ATOM 0 H SER A 65 7.060 5.305 -6.721 1.00 0.00 H new ATOM 0 HA SER A 65 9.534 6.541 -6.881 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.348 6.801 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.413 5.992 -4.175 1.00 0.00 H new ATOM 0 HG SER A 65 8.630 8.301 -4.087 1.00 0.00 H new ATOM 974 N GLY A 66 9.546 3.749 -5.120 1.00 0.00 N ATOM 975 CA GLY A 66 10.404 2.716 -4.566 1.00 0.00 C ATOM 976 C GLY A 66 11.079 1.910 -5.677 1.00 0.00 C ATOM 977 O GLY A 66 11.875 1.013 -5.403 1.00 0.00 O ATOM 0 H GLY A 66 8.546 3.569 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.163 3.171 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.816 2.050 -3.934 1.00 0.00 H new ATOM 981 N GLY A 67 10.737 2.258 -6.909 1.00 0.00 N ATOM 982 CA GLY A 67 11.301 1.579 -8.063 1.00 0.00 C ATOM 983 C GLY A 67 10.478 0.341 -8.426 1.00 0.00 C ATOM 984 O GLY A 67 10.614 -0.200 -9.523 1.00 0.00 O ATOM 0 H GLY A 67 10.076 3.002 -7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.332 2.262 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.330 1.287 -7.851 1.00 0.00 H new ATOM 988 N GLY A 68 9.641 -0.071 -7.485 1.00 0.00 N ATOM 989 CA GLY A 68 8.796 -1.235 -7.692 1.00 0.00 C ATOM 990 C GLY A 68 8.080 -1.159 -9.043 1.00 0.00 C ATOM 991 O GLY A 68 8.144 -0.139 -9.727 1.00 0.00 O ATOM 0 H GLY A 68 9.530 0.381 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.401 -2.141 -7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.061 -1.303 -6.890 1.00 0.00 H new ATOM 995 N VAL A 69 7.415 -2.253 -9.386 1.00 0.00 N ATOM 996 CA VAL A 69 6.688 -2.323 -10.642 1.00 0.00 C ATOM 997 C VAL A 69 5.226 -2.675 -10.361 1.00 0.00 C ATOM 998 O VAL A 69 4.926 -3.777 -9.905 1.00 0.00 O ATOM 999 CB VAL A 69 7.371 -3.315 -11.587 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.433 -3.721 -12.725 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.679 -2.740 -12.133 1.00 0.00 C ATOM 0 H VAL A 69 7.365 -3.097 -8.816 1.00 0.00 H new ATOM 0 HA VAL A 69 6.699 -1.356 -11.144 1.00 0.00 H new ATOM 0 HB VAL A 69 7.612 -4.211 -11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.942 -4.426 -13.382 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.541 -4.190 -12.311 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.147 -2.836 -13.294 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.144 -3.465 -12.801 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.472 -1.821 -12.682 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.355 -2.524 -11.306 1.00 0.00 H new ATOM 1011 N ARG A 70 4.355 -1.717 -10.645 1.00 0.00 N ATOM 1012 CA ARG A 70 2.932 -1.912 -10.428 1.00 0.00 C ATOM 1013 C ARG A 70 2.345 -2.804 -11.525 1.00 0.00 C ATOM 1014 O ARG A 70 2.406 -2.463 -12.705 1.00 0.00 O ATOM 1015 CB ARG A 70 2.189 -0.575 -10.416 1.00 0.00 C ATOM 1016 CG ARG A 70 0.677 -0.789 -10.309 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.087 0.414 -10.865 1.00 0.00 C ATOM 1018 NE ARG A 70 -1.105 -0.040 -11.839 1.00 0.00 N ATOM 1019 CZ ARG A 70 -0.817 -0.519 -13.057 1.00 0.00 C ATOM 1020 NH1 ARG A 70 0.458 -0.609 -13.458 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -1.806 -0.907 -13.875 1.00 0.00 N ATOM 0 H ARG A 70 4.608 -0.804 -11.023 1.00 0.00 H new ATOM 0 HA ARG A 70 2.807 -2.393 -9.458 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.535 0.030 -9.578 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.418 -0.019 -11.325 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.394 -1.689 -10.856 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.402 -0.949 -9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.567 0.958 -10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.606 1.105 -11.346 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.086 0.015 -11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.210 -0.313 -12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.676 -0.974 -14.385 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.777 -0.837 -13.570 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.587 -1.272 -14.802 1.00 0.00 H new ATOM 1035 N PHE A 71 1.791 -3.928 -11.095 1.00 0.00 N ATOM 1036 CA PHE A 71 1.194 -4.871 -12.026 1.00 0.00 C ATOM 1037 C PHE A 71 -0.332 -4.775 -12.000 1.00 0.00 C ATOM 1038 O PHE A 71 -0.948 -4.907 -10.943 1.00 0.00 O ATOM 1039 CB PHE A 71 1.614 -6.271 -11.574 1.00 0.00 C ATOM 1040 CG PHE A 71 2.701 -6.906 -12.443 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.753 -6.157 -12.871 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.617 -8.219 -12.787 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.762 -6.746 -13.678 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.626 -8.808 -13.594 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.677 -8.060 -14.022 1.00 0.00 C ATOM 0 H PHE A 71 1.743 -4.207 -10.115 1.00 0.00 H new ATOM 0 HA PHE A 71 1.527 -4.654 -13.041 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.971 -6.218 -10.545 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.738 -6.920 -11.574 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.821 -5.115 -12.597 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.783 -8.814 -12.446 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.597 -6.151 -14.019 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.558 -9.851 -13.868 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.445 -8.508 -14.635 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.899 -4.547 -13.175 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.342 -4.432 -13.300 1.00 0.00 C ATOM 1057 C ASN A 72 -2.965 -5.830 -13.279 1.00 0.00 C ATOM 1058 O ASN A 72 -4.160 -5.977 -13.026 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.729 -3.763 -14.621 1.00 0.00 C ATOM 1060 CG ASN A 72 -3.951 -2.860 -14.441 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -4.258 -2.396 -13.355 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -4.630 -2.638 -15.563 1.00 0.00 N ATOM 0 H ASN A 72 -0.385 -4.439 -14.049 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.705 -3.827 -12.469 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.890 -3.176 -14.995 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.943 -4.526 -15.370 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.462 -2.048 -15.547 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.318 -3.057 -16.439 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.126 -6.820 -13.546 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.579 -8.201 -13.561 1.00 0.00 C ATOM 1071 C GLN A 73 -1.824 -9.018 -12.511 1.00 0.00 C ATOM 1072 O GLN A 73 -0.791 -8.582 -12.005 1.00 0.00 O ATOM 1073 CB GLN A 73 -2.421 -8.815 -14.953 1.00 0.00 C ATOM 1074 CG GLN A 73 -3.398 -8.184 -15.946 1.00 0.00 C ATOM 1075 CD GLN A 73 -3.055 -8.583 -17.382 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -2.805 -9.737 -17.691 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -3.056 -7.567 -18.241 1.00 0.00 N ATOM 0 H GLN A 73 -1.135 -6.694 -13.754 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.640 -8.218 -13.312 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.399 -8.672 -15.303 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.593 -9.890 -14.902 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.415 -8.498 -15.711 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.369 -7.099 -15.850 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.274 -6.625 -17.916 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.839 -7.730 -19.224 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.369 -10.189 -12.215 1.00 0.00 N ATOM 1087 CA LEU A 74 -1.759 -11.071 -11.234 1.00 0.00 C ATOM 1088 C LEU A 74 -1.077 -12.235 -11.956 1.00 0.00 C ATOM 1089 O LEU A 74 -1.411 -12.542 -13.099 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.792 -11.513 -10.195 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.344 -11.445 -8.734 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -3.507 -11.049 -7.822 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.696 -12.761 -8.298 1.00 0.00 C ATOM 0 H LEU A 74 -3.226 -10.547 -12.637 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.985 -10.543 -10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.682 -10.895 -10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.086 -12.539 -10.417 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.586 -10.667 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.162 -11.008 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.884 -10.070 -8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.305 -11.787 -7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.386 -12.686 -7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.414 -13.574 -8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.825 -12.962 -8.922 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.133 -12.851 -11.259 1.00 0.00 N ATOM 1106 CA ASN A 75 0.599 -13.974 -11.819 1.00 0.00 C ATOM 1107 C ASN A 75 1.807 -14.282 -10.933 1.00 0.00 C ATOM 1108 O ASN A 75 2.096 -13.544 -9.992 1.00 0.00 O ATOM 1109 CB ASN A 75 1.113 -13.651 -13.223 1.00 0.00 C ATOM 1110 CG ASN A 75 1.326 -12.146 -13.397 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.185 -11.618 -12.529 1.00 0.00 O flip ATOM 1112 ND2 ASN A 75 0.749 -11.506 -14.260 1.00 0.00 N flip ATOM 0 H ASN A 75 0.142 -12.593 -10.311 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.078 -14.826 -11.870 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.051 -14.177 -13.401 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.401 -14.009 -13.966 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.102 -11.974 -14.895 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.914 -10.503 -14.347 1.00 0.00 H new ATOM 1119 N GLU A 76 2.480 -15.374 -11.264 1.00 0.00 N ATOM 1120 CA GLU A 76 3.651 -15.790 -10.510 1.00 0.00 C ATOM 1121 C GLU A 76 4.690 -14.667 -10.483 1.00 0.00 C ATOM 1122 O GLU A 76 5.605 -14.683 -9.661 1.00 0.00 O ATOM 1123 CB GLU A 76 4.247 -17.075 -11.087 1.00 0.00 C ATOM 1124 CG GLU A 76 3.179 -18.163 -11.222 1.00 0.00 C ATOM 1125 CD GLU A 76 3.816 -19.525 -11.502 1.00 0.00 C ATOM 1126 OE1 GLU A 76 4.800 -19.544 -12.272 1.00 0.00 O ATOM 1127 OE2 GLU A 76 3.304 -20.517 -10.940 1.00 0.00 O ATOM 0 H GLU A 76 2.237 -15.984 -12.045 1.00 0.00 H new ATOM 0 HA GLU A 76 3.344 -16.000 -9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.687 -16.870 -12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.052 -17.428 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.590 -18.215 -10.307 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.493 -17.906 -12.029 1.00 0.00 H new ATOM 1134 N ASP A 77 4.515 -13.720 -11.392 1.00 0.00 N ATOM 1135 CA ASP A 77 5.427 -12.592 -11.483 1.00 0.00 C ATOM 1136 C ASP A 77 5.217 -11.674 -10.277 1.00 0.00 C ATOM 1137 O ASP A 77 6.135 -10.969 -9.862 1.00 0.00 O ATOM 1138 CB ASP A 77 5.168 -11.775 -12.750 1.00 0.00 C ATOM 1139 CG ASP A 77 6.424 -11.252 -13.451 1.00 0.00 C ATOM 1140 OD1 ASP A 77 7.524 -11.538 -12.931 1.00 0.00 O ATOM 1141 OD2 ASP A 77 6.255 -10.578 -14.490 1.00 0.00 O ATOM 0 H ASP A 77 3.755 -13.710 -12.072 1.00 0.00 H new ATOM 0 HA ASP A 77 6.445 -12.982 -11.508 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.608 -12.391 -13.453 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.533 -10.927 -12.494 1.00 0.00 H new ATOM 1146 N VAL A 78 4.002 -11.712 -9.749 1.00 0.00 N ATOM 1147 CA VAL A 78 3.660 -10.892 -8.600 1.00 0.00 C ATOM 1148 C VAL A 78 4.449 -11.374 -7.381 1.00 0.00 C ATOM 1149 O VAL A 78 4.397 -12.552 -7.030 1.00 0.00 O ATOM 1150 CB VAL A 78 2.146 -10.909 -8.377 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.786 -10.316 -7.013 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.417 -10.175 -9.504 1.00 0.00 C ATOM 0 H VAL A 78 3.243 -12.298 -10.096 1.00 0.00 H new ATOM 0 HA VAL A 78 3.938 -9.853 -8.777 1.00 0.00 H new ATOM 0 HB VAL A 78 1.818 -11.948 -8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.704 -10.340 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.262 -10.900 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.135 -9.285 -6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.343 -10.202 -9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.753 -9.139 -9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.635 -10.661 -10.455 1.00 0.00 H new ATOM 1162 N THR A 79 5.162 -10.440 -6.770 1.00 0.00 N ATOM 1163 CA THR A 79 5.962 -10.755 -5.598 1.00 0.00 C ATOM 1164 C THR A 79 5.245 -10.299 -4.326 1.00 0.00 C ATOM 1165 O THR A 79 5.639 -10.670 -3.221 1.00 0.00 O ATOM 1166 CB THR A 79 7.340 -10.118 -5.782 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.093 -8.718 -5.680 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.885 -10.298 -7.200 1.00 0.00 C ATOM 0 H THR A 79 5.203 -9.464 -7.064 1.00 0.00 H new ATOM 0 HA THR A 79 6.098 -11.831 -5.488 1.00 0.00 H new ATOM 0 HB THR A 79 8.038 -10.554 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.490 -8.439 -6.400 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.865 -9.827 -7.276 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.975 -11.361 -7.423 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.204 -9.834 -7.913 1.00 0.00 H new ATOM 1176 N HIS A 80 4.207 -9.500 -4.523 1.00 0.00 N ATOM 1177 CA HIS A 80 3.433 -8.989 -3.405 1.00 0.00 C ATOM 1178 C HIS A 80 2.057 -8.535 -3.899 1.00 0.00 C ATOM 1179 O HIS A 80 1.933 -8.003 -5.001 1.00 0.00 O ATOM 1180 CB HIS A 80 4.196 -7.881 -2.676 1.00 0.00 C ATOM 1181 CG HIS A 80 5.623 -8.240 -2.337 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.642 -8.228 -3.274 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.190 -8.620 -1.156 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.767 -8.587 -2.672 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.485 -8.830 -1.360 1.00 0.00 N ATOM 0 H HIS A 80 3.884 -9.194 -5.441 1.00 0.00 H new ATOM 0 HA HIS A 80 3.276 -9.782 -2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.195 -6.984 -3.296 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.666 -7.633 -1.756 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.544 -7.984 -4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.673 -8.731 -0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.737 -8.672 -3.139 1.00 0.00 H new ATOM 1193 N VAL A 81 1.058 -8.762 -3.058 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.303 -8.383 -3.395 1.00 0.00 C ATOM 1195 C VAL A 81 -0.842 -7.428 -2.327 1.00 0.00 C ATOM 1196 O VAL A 81 -1.215 -7.858 -1.236 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.167 -9.634 -3.569 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.639 -9.262 -3.757 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.664 -10.490 -4.733 1.00 0.00 C ATOM 0 H VAL A 81 1.164 -9.203 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.327 -7.853 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.086 -10.227 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.231 -10.169 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.990 -8.714 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.746 -8.638 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.295 -11.373 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.701 -9.909 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.363 -10.799 -4.540 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.864 -6.151 -2.677 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.350 -5.132 -1.762 1.00 0.00 C ATOM 1211 C ILE A 82 -2.876 -5.064 -1.846 1.00 0.00 C ATOM 1212 O ILE A 82 -3.425 -4.468 -2.771 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.659 -3.794 -2.034 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.858 -3.969 -2.125 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.054 -2.751 -0.987 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.529 -3.648 -0.788 1.00 0.00 C ATOM 0 H ILE A 82 -0.553 -5.798 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.098 -5.391 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.999 -3.424 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.093 -4.993 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.257 -3.317 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.549 -1.809 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.133 -2.599 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.761 -3.101 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.607 -3.781 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.313 -2.616 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.146 -4.318 -0.018 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.519 -5.684 -0.866 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.971 -5.701 -0.817 1.00 0.00 C ATOM 1230 C VAL A 83 -5.472 -4.395 -0.198 1.00 0.00 C ATOM 1231 O VAL A 83 -4.904 -3.909 0.779 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.454 -6.943 -0.065 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.974 -6.923 0.106 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.998 -8.222 -0.769 1.00 0.00 C ATOM 0 H VAL A 83 -3.061 -6.178 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.386 -5.764 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.005 -6.929 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.291 -7.817 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.265 -6.037 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.450 -6.901 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.355 -9.090 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.405 -8.246 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.909 -8.243 -0.815 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.530 -3.863 -0.792 1.00 0.00 N ATOM 1245 CA GLY A 84 -7.114 -2.622 -0.311 1.00 0.00 C ATOM 1246 C GLY A 84 -8.557 -2.838 0.149 1.00 0.00 C ATOM 1247 O GLY A 84 -9.113 -2.009 0.867 1.00 0.00 O ATOM 0 H GLY A 84 -6.998 -4.269 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.519 -2.232 0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.089 -1.873 -1.103 1.00 0.00 H new ATOM 1251 N ASP A 85 -9.122 -3.955 -0.284 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.490 -4.290 0.074 1.00 0.00 C ATOM 1253 C ASP A 85 -10.548 -5.744 0.545 1.00 0.00 C ATOM 1254 O ASP A 85 -10.765 -6.009 1.727 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.425 -4.145 -1.128 1.00 0.00 C ATOM 1256 CG ASP A 85 -11.753 -2.703 -1.522 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -11.526 -1.816 -0.671 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -12.222 -2.520 -2.666 1.00 0.00 O ATOM 0 H ASP A 85 -8.657 -4.640 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.808 -3.609 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.972 -4.646 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.357 -4.667 -0.910 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.349 -6.648 -0.403 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.376 -8.069 -0.099 1.00 0.00 C ATOM 1265 C TYR A 86 -9.635 -8.873 -1.170 1.00 0.00 C ATOM 1266 O TYR A 86 -8.913 -9.817 -0.854 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.852 -8.473 -0.105 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.470 -8.553 -1.502 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.658 -7.402 -2.239 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -12.839 -9.775 -2.025 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -13.240 -7.476 -3.554 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.421 -9.850 -3.340 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.593 -8.697 -4.040 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.142 -8.767 -5.282 1.00 0.00 O ATOM 0 H TYR A 86 -10.168 -6.424 -1.382 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.892 -8.266 0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.955 -9.443 0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.417 -7.756 0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.369 -6.445 -1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -12.691 -10.676 -1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.393 -6.583 -4.141 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.714 -10.800 -3.761 1.00 0.00 H new ATOM 0 HH TYR A 86 -13.793 -8.037 -5.836 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.840 -8.468 -2.415 1.00 0.00 N ATOM 1285 CA ASP A 87 -9.200 -9.139 -3.534 1.00 0.00 C ATOM 1286 C ASP A 87 -9.783 -10.546 -3.681 1.00 0.00 C ATOM 1287 O ASP A 87 -9.538 -11.413 -2.844 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.693 -9.272 -3.308 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.943 -7.949 -3.145 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.632 -6.931 -2.916 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -5.699 -7.984 -3.252 1.00 0.00 O ATOM 0 H ASP A 87 -10.440 -7.684 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.379 -8.545 -4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.527 -9.878 -2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.262 -9.815 -4.149 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.543 -10.728 -4.750 1.00 0.00 N ATOM 1297 CA ASP A 88 -11.163 -12.015 -5.017 1.00 0.00 C ATOM 1298 C ASP A 88 -10.266 -12.823 -5.958 1.00 0.00 C ATOM 1299 O ASP A 88 -10.034 -14.010 -5.733 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.523 -11.841 -5.695 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.633 -12.750 -5.161 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -13.336 -13.512 -4.215 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.752 -12.661 -5.709 1.00 0.00 O ATOM 0 H ASP A 88 -10.744 -10.006 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.297 -12.528 -4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.838 -10.804 -5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.406 -12.025 -6.763 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.786 -12.147 -6.991 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.920 -12.787 -7.967 1.00 0.00 C ATOM 1310 C GLU A 89 -7.859 -13.634 -7.260 1.00 0.00 C ATOM 1311 O GLU A 89 -7.558 -14.745 -7.693 1.00 0.00 O ATOM 1312 CB GLU A 89 -8.270 -11.751 -8.886 1.00 0.00 C ATOM 1313 CG GLU A 89 -8.388 -12.170 -10.353 1.00 0.00 C ATOM 1314 CD GLU A 89 -8.273 -10.958 -11.280 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -9.262 -10.195 -11.341 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -7.200 -10.822 -11.907 1.00 0.00 O ATOM 0 H GLU A 89 -9.980 -11.162 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.529 -13.445 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.746 -10.781 -8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.219 -11.633 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.607 -12.891 -10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.343 -12.668 -10.517 1.00 0.00 H new ATOM 1323 N LEU A 90 -7.322 -13.076 -6.185 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.302 -13.767 -5.414 1.00 0.00 C ATOM 1325 C LEU A 90 -6.743 -15.211 -5.171 1.00 0.00 C ATOM 1326 O LEU A 90 -5.917 -16.123 -5.158 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.986 -12.995 -4.131 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.606 -13.247 -3.520 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.604 -13.685 -4.590 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -4.118 -12.021 -2.745 1.00 0.00 C ATOM 0 H LEU A 90 -7.574 -12.154 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.366 -13.810 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.080 -11.929 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.742 -13.242 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.693 -14.066 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.631 -13.857 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.952 -14.606 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.514 -12.904 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.135 -12.226 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.051 -11.167 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.820 -11.795 -1.942 1.00 0.00 H new ATOM 1342 N LYS A 91 -8.045 -15.375 -4.983 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.605 -16.693 -4.741 1.00 0.00 C ATOM 1344 C LYS A 91 -8.550 -17.512 -6.032 1.00 0.00 C ATOM 1345 O LYS A 91 -8.220 -18.697 -6.007 1.00 0.00 O ATOM 1346 CB LYS A 91 -10.010 -16.577 -4.146 1.00 0.00 C ATOM 1347 CG LYS A 91 -9.952 -16.128 -2.685 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.333 -15.694 -2.189 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.317 -15.434 -0.681 1.00 0.00 C ATOM 1350 NZ LYS A 91 -12.538 -15.979 -0.048 1.00 0.00 N ATOM 0 H LYS A 91 -8.727 -14.617 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.012 -17.228 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.597 -15.864 -4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.518 -17.539 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.579 -16.943 -2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.249 -15.302 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.645 -14.791 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.066 -16.467 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.434 -15.893 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.249 -14.363 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.511 -15.794 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.376 -15.522 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.586 -17.005 -0.213 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.878 -16.847 -7.131 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.869 -17.499 -8.430 1.00 0.00 C ATOM 1366 C GLN A 92 -7.438 -17.854 -8.836 1.00 0.00 C ATOM 1367 O GLN A 92 -7.170 -18.977 -9.260 1.00 0.00 O ATOM 1368 CB GLN A 92 -9.537 -16.619 -9.488 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.906 -16.129 -9.010 1.00 0.00 C ATOM 1370 CD GLN A 92 -12.029 -16.722 -9.862 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -12.737 -17.630 -9.458 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.153 -16.160 -11.061 1.00 0.00 N ATOM 0 H GLN A 92 -9.151 -15.864 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.444 -18.422 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.898 -15.764 -9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.651 -17.182 -10.415 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.051 -16.407 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.944 -15.041 -9.059 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.527 -15.403 -11.337 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.874 -16.486 -11.705 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.556 -16.876 -8.693 1.00 0.00 N ATOM 1382 CA PHE A 93 -5.158 -17.071 -9.040 1.00 0.00 C ATOM 1383 C PHE A 93 -4.565 -18.258 -8.278 1.00 0.00 C ATOM 1384 O PHE A 93 -3.666 -18.933 -8.777 1.00 0.00 O ATOM 1385 CB PHE A 93 -4.414 -15.797 -8.635 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.894 -15.958 -8.572 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -2.182 -16.143 -9.715 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -2.255 -15.914 -7.372 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.771 -16.292 -9.656 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.844 -16.063 -7.313 1.00 0.00 C ATOM 1391 CZ PHE A 93 -0.132 -16.249 -8.456 1.00 0.00 C ATOM 0 H PHE A 93 -6.782 -15.946 -8.341 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.064 -17.275 -10.107 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.656 -15.006 -9.345 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.775 -15.472 -7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.689 -16.177 -10.668 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.821 -15.766 -6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.205 -16.439 -10.564 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.337 -16.029 -6.360 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.941 -16.363 -8.411 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.093 -18.476 -7.083 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.627 -19.570 -6.247 1.00 0.00 C ATOM 1403 C TRP A 94 -5.114 -20.880 -6.869 1.00 0.00 C ATOM 1404 O TRP A 94 -4.559 -21.944 -6.597 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.086 -19.388 -4.799 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.109 -18.592 -3.932 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -2.776 -18.520 -4.045 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.445 -17.753 -2.807 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.230 -17.699 -3.079 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.278 -17.218 -2.302 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -5.695 -17.456 -2.234 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.243 -16.353 -1.201 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -5.643 -16.591 -1.135 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.476 -16.043 -0.615 1.00 0.00 C ATOM 0 H TRP A 94 -5.839 -17.914 -6.673 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.538 -19.588 -6.206 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.052 -18.884 -4.796 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.237 -20.370 -4.350 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.201 -19.039 -4.797 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.240 -17.485 -2.958 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.621 -17.863 -2.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.316 -15.947 -0.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.576 -16.331 -0.657 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.520 -15.381 0.237 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.146 -20.761 -7.692 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.713 -21.922 -8.354 1.00 0.00 C ATOM 1427 C ASN A 95 -6.097 -22.062 -9.747 1.00 0.00 C ATOM 1428 O ASN A 95 -6.348 -23.043 -10.446 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.228 -21.777 -8.519 1.00 0.00 C ATOM 1430 CG ASN A 95 -8.958 -23.016 -7.996 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -9.207 -23.970 -8.714 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -9.285 -22.947 -6.709 1.00 0.00 N ATOM 0 H ASN A 95 -6.604 -19.877 -7.915 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.499 -22.797 -7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.573 -20.894 -7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.470 -21.625 -9.571 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.775 -23.724 -6.265 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.046 -22.117 -6.166 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.302 -21.066 -10.110 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.648 -21.065 -11.407 1.00 0.00 C ATOM 1441 C LYS A 96 -3.202 -21.540 -11.245 1.00 0.00 C ATOM 1442 O LYS A 96 -2.899 -22.709 -11.479 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.773 -19.692 -12.070 1.00 0.00 C ATOM 1444 CG LYS A 96 -6.241 -19.327 -12.302 1.00 0.00 C ATOM 1445 CD LYS A 96 -6.392 -18.406 -13.514 1.00 0.00 C ATOM 1446 CE LYS A 96 -7.862 -18.061 -13.761 1.00 0.00 C ATOM 1447 NZ LYS A 96 -7.986 -17.074 -14.857 1.00 0.00 N ATOM 0 H LYS A 96 -5.096 -20.254 -9.528 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.141 -21.765 -12.082 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.302 -18.936 -11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.240 -19.693 -13.021 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.825 -20.234 -12.455 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.642 -18.836 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.822 -17.491 -13.353 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.975 -18.890 -14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.416 -18.965 -14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.305 -17.659 -12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.990 -16.851 -15.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.474 -16.206 -14.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.581 -17.471 -15.729 1.00 0.00 H new ATOM 1461 N SER A 97 -2.349 -20.609 -10.845 1.00 0.00 N ATOM 1462 CA SER A 97 -0.942 -20.918 -10.649 1.00 0.00 C ATOM 1463 C SER A 97 -0.686 -21.281 -9.185 1.00 0.00 C ATOM 1464 O SER A 97 -1.459 -20.907 -8.304 1.00 0.00 O ATOM 1465 CB SER A 97 -0.057 -19.742 -11.067 1.00 0.00 C ATOM 1466 OG SER A 97 -0.099 -19.516 -12.473 1.00 0.00 O ATOM 0 H SER A 97 -2.604 -19.641 -10.651 1.00 0.00 H new ATOM 0 HA SER A 97 -0.687 -21.771 -11.278 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.381 -18.841 -10.545 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.971 -19.935 -10.761 1.00 0.00 H new ATOM 0 HG SER A 97 0.477 -18.756 -12.700 1.00 0.00 H new ATOM 1472 N ALA A 98 0.403 -22.005 -8.970 1.00 0.00 N ATOM 1473 CA ALA A 98 0.771 -22.423 -7.628 1.00 0.00 C ATOM 1474 C ALA A 98 1.828 -21.466 -7.073 1.00 0.00 C ATOM 1475 O ALA A 98 3.011 -21.596 -7.382 1.00 0.00 O ATOM 1476 CB ALA A 98 1.257 -23.874 -7.660 1.00 0.00 C ATOM 0 H ALA A 98 1.042 -22.313 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.092 -22.383 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.533 -24.188 -6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.460 -24.516 -8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.125 -23.953 -8.315 1.00 0.00 H new ATOM 1482 N HIS A 99 1.362 -20.527 -6.263 1.00 0.00 N ATOM 1483 CA HIS A 99 2.252 -19.549 -5.661 1.00 0.00 C ATOM 1484 C HIS A 99 1.543 -18.858 -4.495 1.00 0.00 C ATOM 1485 O HIS A 99 0.316 -18.763 -4.478 1.00 0.00 O ATOM 1486 CB HIS A 99 2.765 -18.562 -6.712 1.00 0.00 C ATOM 1487 CG HIS A 99 3.418 -17.331 -6.132 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.584 -17.381 -5.387 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.058 -16.017 -6.195 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.901 -16.147 -5.023 1.00 0.00 C ATOM 1491 NE2 HIS A 99 3.954 -15.303 -5.524 1.00 0.00 N ATOM 0 H HIS A 99 0.380 -20.423 -6.009 1.00 0.00 H new ATOM 0 HA HIS A 99 3.131 -20.052 -5.259 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.482 -19.072 -7.355 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.932 -18.255 -7.344 1.00 0.00 H new ATOM 0 HD1 HIS A 99 5.110 -18.224 -5.157 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.191 -15.624 -6.705 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.759 -15.860 -4.433 1.00 0.00 H new ATOM 1499 N ARG A 100 2.344 -18.392 -3.549 1.00 0.00 N ATOM 1500 CA ARG A 100 1.809 -17.712 -2.382 1.00 0.00 C ATOM 1501 C ARG A 100 2.433 -16.323 -2.243 1.00 0.00 C ATOM 1502 O ARG A 100 3.460 -16.162 -1.586 1.00 0.00 O ATOM 1503 CB ARG A 100 2.077 -18.514 -1.106 1.00 0.00 C ATOM 1504 CG ARG A 100 0.813 -19.237 -0.637 1.00 0.00 C ATOM 1505 CD ARG A 100 -0.037 -18.333 0.258 1.00 0.00 C ATOM 1506 NE ARG A 100 -0.440 -19.064 1.479 1.00 0.00 N ATOM 1507 CZ ARG A 100 -1.297 -20.095 1.489 1.00 0.00 C ATOM 1508 NH1 ARG A 100 -1.845 -20.521 0.344 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -1.605 -20.698 2.645 1.00 0.00 N ATOM 0 H ARG A 100 3.361 -18.472 -3.567 1.00 0.00 H new ATOM 0 HA ARG A 100 0.732 -17.617 -2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.869 -19.240 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.431 -17.847 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.228 -19.552 -1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.088 -20.140 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.527 -17.441 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.922 -17.999 -0.284 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.041 -18.765 2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.610 -20.061 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.497 -21.305 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.188 -20.373 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.257 -21.482 2.653 1.00 0.00 H new ATOM 1523 N PRO A 101 1.770 -15.327 -2.891 1.00 0.00 N ATOM 1524 CA PRO A 101 2.249 -13.956 -2.846 1.00 0.00 C ATOM 1525 C PRO A 101 1.955 -13.316 -1.488 1.00 0.00 C ATOM 1526 O PRO A 101 1.038 -13.738 -0.785 1.00 0.00 O ATOM 1527 CB PRO A 101 1.546 -13.256 -3.998 1.00 0.00 C ATOM 1528 CG PRO A 101 0.355 -14.132 -4.353 1.00 0.00 C ATOM 1529 CD PRO A 101 0.550 -15.480 -3.679 1.00 0.00 C ATOM 0 HA PRO A 101 3.331 -13.885 -2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.223 -12.256 -3.709 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.214 -13.141 -4.851 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.573 -13.669 -4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.279 -14.253 -5.434 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.301 -15.733 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.650 -16.279 -4.413 1.00 0.00 H new ATOM 1537 N HIS A 102 2.750 -12.309 -1.160 1.00 0.00 N ATOM 1538 CA HIS A 102 2.587 -11.607 0.102 1.00 0.00 C ATOM 1539 C HIS A 102 1.317 -10.755 0.054 1.00 0.00 C ATOM 1540 O HIS A 102 1.311 -9.676 -0.537 1.00 0.00 O ATOM 1541 CB HIS A 102 3.837 -10.789 0.435 1.00 0.00 C ATOM 1542 CG HIS A 102 5.060 -11.627 0.721 1.00 0.00 C ATOM 1543 ND1 HIS A 102 6.332 -11.543 0.235 1.00 0.00 N flip ATOM 1544 CD2 HIS A 102 5.048 -12.696 1.601 1.00 0.00 C flip ATOM 1545 CE1 HIS A 102 7.057 -12.507 0.788 1.00 0.00 C flip ATOM 1546 NE2 HIS A 102 6.263 -13.223 1.635 1.00 0.00 N flip ATOM 0 H HIS A 102 3.509 -11.962 -1.746 1.00 0.00 H new ATOM 0 HA HIS A 102 2.470 -12.328 0.911 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.054 -10.120 -0.398 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.628 -10.162 1.301 1.00 0.00 H new ATOM 0 HD2 HIS A 102 4.193 -13.041 2.164 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.104 -12.694 0.599 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.554 -14.024 2.196 1.00 0.00 H new ATOM 1554 N VAL A 103 0.272 -11.271 0.684 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.001 -10.572 0.720 1.00 0.00 C ATOM 1556 C VAL A 103 -1.020 -9.618 1.917 1.00 0.00 C ATOM 1557 O VAL A 103 -1.349 -10.022 3.032 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.152 -11.580 0.741 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.505 -10.867 0.697 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.022 -12.583 -0.407 1.00 0.00 C ATOM 0 H VAL A 103 0.281 -12.166 1.174 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.131 -9.969 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.096 -12.134 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.306 -11.606 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.599 -10.211 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.575 -10.275 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.852 -13.288 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.040 -12.051 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.081 -13.125 -0.312 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.661 -8.372 1.646 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.633 -7.358 2.686 1.00 0.00 C ATOM 1572 C VAL A 104 -1.406 -6.126 2.213 1.00 0.00 C ATOM 1573 O VAL A 104 -1.920 -6.102 1.096 1.00 0.00 O ATOM 1574 CB VAL A 104 0.814 -7.045 3.072 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.524 -8.293 3.600 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.577 -6.438 1.892 1.00 0.00 C ATOM 0 H VAL A 104 -0.387 -8.042 0.721 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.124 -7.722 3.588 1.00 0.00 H new ATOM 0 HB VAL A 104 0.794 -6.307 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.551 -8.042 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.000 -8.664 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.528 -9.063 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.603 -6.225 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.582 -7.143 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.091 -5.513 1.581 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.464 -5.132 3.087 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.166 -3.899 2.772 1.00 0.00 C ATOM 1588 C GLY A 105 -1.181 -2.757 2.513 1.00 0.00 C ATOM 1589 O GLY A 105 -0.083 -2.743 3.068 1.00 0.00 O ATOM 0 H GLY A 105 -1.037 -5.155 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.794 -4.048 1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.828 -3.633 3.596 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.608 -1.829 1.670 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.777 -0.686 1.331 1.00 0.00 C ATOM 1595 C ALA A 106 -0.099 -0.161 2.598 1.00 0.00 C ATOM 1596 O ALA A 106 1.056 0.262 2.559 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.630 0.379 0.641 1.00 0.00 C ATOM 0 H ALA A 106 -2.519 -1.845 1.211 1.00 0.00 H new ATOM 0 HA ALA A 106 0.008 -0.976 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.006 1.236 0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.065 -0.036 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.428 0.697 1.312 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.845 -0.204 3.692 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.331 0.263 4.968 1.00 0.00 C ATOM 1605 C LYS A 107 1.131 -0.165 5.111 1.00 0.00 C ATOM 1606 O LYS A 107 1.972 0.620 5.545 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.227 -0.213 6.113 1.00 0.00 C ATOM 1608 CG LYS A 107 -1.015 0.640 7.366 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.263 0.634 8.250 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.885 0.652 9.733 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.897 1.395 10.517 1.00 0.00 N ATOM 0 H LYS A 107 -1.802 -0.555 3.721 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.350 1.352 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.272 -0.163 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.011 -1.257 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.164 0.259 7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.774 1.663 7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.881 1.501 8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.861 -0.251 8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.805 -0.369 10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.906 1.115 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.625 1.398 11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.954 2.374 10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.824 0.936 10.411 1.00 0.00 H new ATOM 1625 N TRP A 108 1.388 -1.410 4.738 1.00 0.00 N ATOM 1626 CA TRP A 108 2.734 -1.953 4.819 1.00 0.00 C ATOM 1627 C TRP A 108 3.653 -1.066 3.977 1.00 0.00 C ATOM 1628 O TRP A 108 4.552 -0.415 4.508 1.00 0.00 O ATOM 1629 CB TRP A 108 2.760 -3.421 4.389 1.00 0.00 C ATOM 1630 CG TRP A 108 4.158 -3.947 4.058 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.124 -4.316 4.910 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.711 -4.150 2.740 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.254 -4.740 4.241 1.00 0.00 N ATOM 1634 CE2 TRP A 108 5.995 -4.635 2.879 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.144 -3.929 1.472 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.820 -4.942 1.791 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 4.982 -4.241 0.395 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.277 -4.731 0.518 1.00 0.00 C ATOM 0 H TRP A 108 0.687 -2.058 4.379 1.00 0.00 H new ATOM 0 HA TRP A 108 3.092 -1.946 5.849 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.333 -4.030 5.186 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.120 -3.545 3.515 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.030 -4.285 5.985 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.120 -5.070 4.667 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.142 -3.549 1.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.822 -5.321 1.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.595 -4.090 -0.602 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.861 -4.948 -0.364 1.00 0.00 H new ATOM 1649 N LEU A 109 3.396 -1.069 2.677 1.00 0.00 N ATOM 1650 CA LEU A 109 4.189 -0.273 1.755 1.00 0.00 C ATOM 1651 C LEU A 109 4.479 1.091 2.385 1.00 0.00 C ATOM 1652 O LEU A 109 5.638 1.463 2.562 1.00 0.00 O ATOM 1653 CB LEU A 109 3.500 -0.187 0.392 1.00 0.00 C ATOM 1654 CG LEU A 109 4.372 0.290 -0.771 1.00 0.00 C ATOM 1655 CD1 LEU A 109 5.571 -0.638 -0.975 1.00 0.00 C ATOM 1656 CD2 LEU A 109 3.544 0.447 -2.048 1.00 0.00 C ATOM 0 H LEU A 109 2.650 -1.610 2.240 1.00 0.00 H new ATOM 0 HA LEU A 109 5.151 -0.750 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.105 -1.172 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.647 0.486 0.480 1.00 0.00 H new ATOM 0 HG LEU A 109 4.767 1.274 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.174 -0.276 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.177 -0.655 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.218 -1.646 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.188 0.787 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.101 -0.512 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.753 1.178 -1.881 1.00 0.00 H new ATOM 1668 N LEU A 110 3.406 1.798 2.707 1.00 0.00 N ATOM 1669 CA LEU A 110 3.530 3.112 3.314 1.00 0.00 C ATOM 1670 C LEU A 110 4.686 3.099 4.316 1.00 0.00 C ATOM 1671 O LEU A 110 5.644 3.857 4.174 1.00 0.00 O ATOM 1672 CB LEU A 110 2.196 3.552 3.919 1.00 0.00 C ATOM 1673 CG LEU A 110 0.978 3.460 2.997 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.245 4.120 3.637 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.290 4.045 1.618 1.00 0.00 C ATOM 0 H LEU A 110 2.446 1.485 2.559 1.00 0.00 H new ATOM 0 HA LEU A 110 3.771 3.859 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.003 2.945 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.295 4.584 4.255 1.00 0.00 H new ATOM 0 HG LEU A 110 0.736 2.407 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.097 4.041 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.479 3.619 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.032 5.171 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.408 3.967 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.571 5.093 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.113 3.492 1.166 1.00 0.00 H new ATOM 1687 N GLU A 111 4.557 2.230 5.308 1.00 0.00 N ATOM 1688 CA GLU A 111 5.579 2.108 6.334 1.00 0.00 C ATOM 1689 C GLU A 111 6.932 1.782 5.699 1.00 0.00 C ATOM 1690 O GLU A 111 7.964 2.292 6.132 1.00 0.00 O ATOM 1691 CB GLU A 111 5.191 1.053 7.371 1.00 0.00 C ATOM 1692 CG GLU A 111 3.780 1.302 7.906 1.00 0.00 C ATOM 1693 CD GLU A 111 3.823 1.840 9.338 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.204 1.051 10.229 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.472 3.028 9.509 1.00 0.00 O ATOM 0 H GLU A 111 3.760 1.604 5.423 1.00 0.00 H new ATOM 0 HA GLU A 111 5.664 3.064 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.244 0.061 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.904 1.069 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.263 2.014 7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.208 0.374 7.879 1.00 0.00 H new ATOM 1702 N CYS A 112 6.884 0.934 4.682 1.00 0.00 N ATOM 1703 CA CYS A 112 8.093 0.533 3.984 1.00 0.00 C ATOM 1704 C CYS A 112 8.820 1.796 3.517 1.00 0.00 C ATOM 1705 O CYS A 112 10.016 1.952 3.755 1.00 0.00 O ATOM 1706 CB CYS A 112 7.788 -0.412 2.820 1.00 0.00 C ATOM 1707 SG CYS A 112 6.731 -1.791 3.394 1.00 0.00 S ATOM 0 H CYS A 112 6.026 0.514 4.325 1.00 0.00 H new ATOM 0 HA CYS A 112 8.737 -0.027 4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.287 0.133 2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.717 -0.803 2.405 1.00 0.00 H new ATOM 0 HG CYS A 112 6.813 -2.779 2.553 1.00 0.00 H new ATOM 1713 N PHE A 113 8.065 2.667 2.862 1.00 0.00 N ATOM 1714 CA PHE A 113 8.622 3.911 2.361 1.00 0.00 C ATOM 1715 C PHE A 113 8.854 4.906 3.500 1.00 0.00 C ATOM 1716 O PHE A 113 9.890 5.567 3.550 1.00 0.00 O ATOM 1717 CB PHE A 113 7.599 4.499 1.387 1.00 0.00 C ATOM 1718 CG PHE A 113 7.680 3.918 -0.026 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.647 4.343 -0.882 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.785 2.975 -0.426 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.723 3.804 -2.194 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.860 2.436 -1.738 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.827 2.862 -2.594 1.00 0.00 C ATOM 0 H PHE A 113 7.073 2.535 2.667 1.00 0.00 H new ATOM 0 HA PHE A 113 9.581 3.722 1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.597 4.329 1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.742 5.578 1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.358 5.091 -0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.017 2.636 0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.492 4.142 -2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 113 6.149 1.688 -2.056 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.884 2.452 -3.592 1.00 0.00 H new ATOM 1733 N SER A 114 7.872 4.982 4.386 1.00 0.00 N ATOM 1734 CA SER A 114 7.956 5.885 5.521 1.00 0.00 C ATOM 1735 C SER A 114 9.218 5.588 6.334 1.00 0.00 C ATOM 1736 O SER A 114 9.890 6.506 6.801 1.00 0.00 O ATOM 1737 CB SER A 114 6.714 5.772 6.408 1.00 0.00 C ATOM 1738 OG SER A 114 6.691 6.772 7.423 1.00 0.00 O ATOM 0 H SER A 114 7.014 4.433 4.341 1.00 0.00 H new ATOM 0 HA SER A 114 8.007 6.906 5.143 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.819 5.860 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.687 4.785 6.870 1.00 0.00 H new ATOM 0 HG SER A 114 5.883 6.667 7.967 1.00 0.00 H new ATOM 1744 N LYS A 115 9.501 4.302 6.478 1.00 0.00 N ATOM 1745 CA LYS A 115 10.670 3.873 7.226 1.00 0.00 C ATOM 1746 C LYS A 115 11.910 3.986 6.336 1.00 0.00 C ATOM 1747 O LYS A 115 13.024 4.141 6.834 1.00 0.00 O ATOM 1748 CB LYS A 115 10.453 2.472 7.802 1.00 0.00 C ATOM 1749 CG LYS A 115 9.085 2.364 8.479 1.00 0.00 C ATOM 1750 CD LYS A 115 9.227 2.351 10.003 1.00 0.00 C ATOM 1751 CE LYS A 115 8.593 1.093 10.601 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.585 1.170 12.079 1.00 0.00 N ATOM 0 H LYS A 115 8.941 3.543 6.089 1.00 0.00 H new ATOM 0 HA LYS A 115 10.833 4.525 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.528 1.732 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.239 2.245 8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.458 3.202 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.583 1.455 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.282 2.395 10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.752 3.237 10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.574 0.981 10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.147 0.211 10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.152 0.309 12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.561 1.255 12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.037 2.001 12.380 1.00 0.00 H new ATOM 1766 N GLY A 116 11.674 3.904 5.035 1.00 0.00 N ATOM 1767 CA GLY A 116 12.758 3.996 4.071 1.00 0.00 C ATOM 1768 C GLY A 116 13.204 2.606 3.613 1.00 0.00 C ATOM 1769 O GLY A 116 13.925 2.475 2.626 1.00 0.00 O ATOM 0 H GLY A 116 10.749 3.775 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.435 4.580 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.601 4.524 4.516 1.00 0.00 H new ATOM 1773 N TYR A 117 12.755 1.602 4.353 1.00 0.00 N ATOM 1774 CA TYR A 117 13.098 0.227 4.036 1.00 0.00 C ATOM 1775 C TYR A 117 11.893 -0.697 4.224 1.00 0.00 C ATOM 1776 O TYR A 117 11.027 -0.431 5.056 1.00 0.00 O ATOM 1777 CB TYR A 117 14.193 -0.174 5.027 1.00 0.00 C ATOM 1778 CG TYR A 117 13.661 -0.713 6.356 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.105 0.150 7.278 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.738 -2.063 6.634 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.605 -0.357 8.530 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.238 -2.570 7.885 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.696 -1.692 8.771 1.00 0.00 C ATOM 1784 OH TYR A 117 12.223 -2.172 9.953 1.00 0.00 O ATOM 0 H TYR A 117 12.156 1.714 5.171 1.00 0.00 H new ATOM 0 HA TYR A 117 13.421 0.142 2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.826 -0.932 4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 117 14.825 0.692 5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 117 13.045 1.206 7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 117 14.173 -2.739 5.913 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.168 0.308 9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 117 13.292 -3.624 8.115 1.00 0.00 H new ATOM 0 HH TYR A 117 12.353 -3.143 9.987 1.00 0.00 H new ATOM 1794 N MET A 118 11.877 -1.763 3.438 1.00 0.00 N ATOM 1795 CA MET A 118 10.792 -2.728 3.508 1.00 0.00 C ATOM 1796 C MET A 118 10.714 -3.366 4.896 1.00 0.00 C ATOM 1797 O MET A 118 11.740 -3.669 5.503 1.00 0.00 O ATOM 1798 CB MET A 118 11.009 -3.818 2.457 1.00 0.00 C ATOM 1799 CG MET A 118 10.853 -3.255 1.042 1.00 0.00 C ATOM 1800 SD MET A 118 11.612 -4.355 -0.140 1.00 0.00 S ATOM 1801 CE MET A 118 10.192 -5.327 -0.615 1.00 0.00 C ATOM 0 H MET A 118 12.597 -1.980 2.749 1.00 0.00 H new ATOM 0 HA MET A 118 9.855 -2.206 3.315 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.004 -4.248 2.574 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.293 -4.625 2.612 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.796 -3.128 0.807 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.314 -2.269 0.981 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.490 -6.070 -1.355 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.786 -5.831 0.262 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.431 -4.674 -1.043 1.00 0.00 H new ATOM 1811 N LEU A 119 9.486 -3.550 5.360 1.00 0.00 N ATOM 1812 CA LEU A 119 9.261 -4.147 6.665 1.00 0.00 C ATOM 1813 C LEU A 119 8.580 -5.505 6.490 1.00 0.00 C ATOM 1814 O LEU A 119 8.261 -5.904 5.371 1.00 0.00 O ATOM 1815 CB LEU A 119 8.488 -3.183 7.568 1.00 0.00 C ATOM 1816 CG LEU A 119 8.756 -1.693 7.345 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.578 -0.846 7.827 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.073 -1.269 7.999 1.00 0.00 C ATOM 0 H LEU A 119 8.637 -3.296 4.855 1.00 0.00 H new ATOM 0 HA LEU A 119 10.210 -4.329 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.422 -3.364 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.721 -3.422 8.605 1.00 0.00 H new ATOM 0 HG LEU A 119 8.859 -1.521 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.795 0.209 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.680 -1.125 7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.419 -1.017 8.892 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.240 -0.206 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.024 -1.459 9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.894 -1.840 7.567 1.00 0.00 H new ATOM 1830 N SER A 120 8.377 -6.179 7.613 1.00 0.00 N ATOM 1831 CA SER A 120 7.739 -7.484 7.597 1.00 0.00 C ATOM 1832 C SER A 120 6.319 -7.367 7.040 1.00 0.00 C ATOM 1833 O SER A 120 5.628 -6.382 7.296 1.00 0.00 O ATOM 1834 CB SER A 120 7.711 -8.100 8.998 1.00 0.00 C ATOM 1835 OG SER A 120 9.021 -8.275 9.531 1.00 0.00 O ATOM 0 H SER A 120 8.643 -5.846 8.539 1.00 0.00 H new ATOM 0 HA SER A 120 8.322 -8.141 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.131 -7.460 9.664 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.203 -9.064 8.960 1.00 0.00 H new ATOM 0 HG SER A 120 8.960 -8.669 10.426 1.00 0.00 H new ATOM 1841 N GLU A 121 5.926 -8.385 6.289 1.00 0.00 N ATOM 1842 CA GLU A 121 4.601 -8.408 5.694 1.00 0.00 C ATOM 1843 C GLU A 121 3.638 -9.207 6.573 1.00 0.00 C ATOM 1844 O GLU A 121 2.427 -9.181 6.357 1.00 0.00 O ATOM 1845 CB GLU A 121 4.647 -8.976 4.274 1.00 0.00 C ATOM 1846 CG GLU A 121 5.044 -7.898 3.264 1.00 0.00 C ATOM 1847 CD GLU A 121 6.477 -8.109 2.771 1.00 0.00 C ATOM 1848 OE1 GLU A 121 6.642 -8.921 1.835 1.00 0.00 O ATOM 1849 OE2 GLU A 121 7.376 -7.453 3.342 1.00 0.00 O ATOM 0 H GLU A 121 6.502 -9.200 6.079 1.00 0.00 H new ATOM 0 HA GLU A 121 4.236 -7.383 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.360 -9.800 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.671 -9.385 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.358 -7.918 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.955 -6.914 3.724 1.00 0.00 H new ATOM 1856 N GLU A 122 4.211 -9.899 7.547 1.00 0.00 N ATOM 1857 CA GLU A 122 3.419 -10.705 8.460 1.00 0.00 C ATOM 1858 C GLU A 122 2.533 -9.808 9.327 1.00 0.00 C ATOM 1859 O GLU A 122 1.361 -10.111 9.545 1.00 0.00 O ATOM 1860 CB GLU A 122 4.314 -11.594 9.325 1.00 0.00 C ATOM 1861 CG GLU A 122 4.742 -12.850 8.564 1.00 0.00 C ATOM 1862 CD GLU A 122 5.334 -13.892 9.514 1.00 0.00 C ATOM 1863 OE1 GLU A 122 4.707 -14.118 10.571 1.00 0.00 O ATOM 1864 OE2 GLU A 122 6.401 -14.440 9.161 1.00 0.00 O ATOM 0 H GLU A 122 5.215 -9.918 7.724 1.00 0.00 H new ATOM 0 HA GLU A 122 2.775 -11.359 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.196 -11.035 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.781 -11.879 10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.884 -13.274 8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.478 -12.586 7.804 1.00 0.00 H new ATOM 1871 N PRO A 123 3.144 -8.694 9.812 1.00 0.00 N ATOM 1872 CA PRO A 123 2.424 -7.751 10.650 1.00 0.00 C ATOM 1873 C PRO A 123 1.459 -6.903 9.819 1.00 0.00 C ATOM 1874 O PRO A 123 0.800 -6.008 10.347 1.00 0.00 O ATOM 1875 CB PRO A 123 3.504 -6.926 11.332 1.00 0.00 C ATOM 1876 CG PRO A 123 4.763 -7.122 10.503 1.00 0.00 C ATOM 1877 CD PRO A 123 4.531 -8.303 9.575 1.00 0.00 C ATOM 0 HA PRO A 123 1.791 -8.243 11.389 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.224 -5.873 11.374 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.657 -7.256 12.359 1.00 0.00 H new ATOM 0 HG2 PRO A 123 4.985 -6.223 9.928 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.621 -7.307 11.150 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.692 -8.026 8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.216 -9.121 9.796 1.00 0.00 H new ATOM 1885 N TYR A 124 1.406 -7.214 8.532 1.00 0.00 N ATOM 1886 CA TYR A 124 0.533 -6.492 7.623 1.00 0.00 C ATOM 1887 C TYR A 124 -0.192 -7.454 6.679 1.00 0.00 C ATOM 1888 O TYR A 124 -0.384 -7.149 5.503 1.00 0.00 O ATOM 1889 CB TYR A 124 1.444 -5.579 6.800 1.00 0.00 C ATOM 1890 CG TYR A 124 2.014 -4.397 7.586 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.289 -3.228 7.698 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.254 -4.500 8.184 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.826 -2.116 8.438 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.791 -3.387 8.924 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.050 -2.250 9.015 1.00 0.00 C ATOM 1896 OH TYR A 124 3.557 -1.200 9.714 1.00 0.00 O ATOM 0 H TYR A 124 1.954 -7.957 8.097 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.224 -5.938 8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.269 -6.169 6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.884 -5.198 5.946 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.319 -3.147 7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.821 -5.415 8.097 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.269 -1.196 8.533 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.760 -3.454 9.396 1.00 0.00 H new ATOM 0 HH TYR A 124 2.846 -0.548 9.886 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.575 -8.597 7.230 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.274 -9.605 6.452 1.00 0.00 C ATOM 1908 C ILE A 125 -2.766 -9.267 6.410 1.00 0.00 C ATOM 1909 O ILE A 125 -3.300 -8.681 7.350 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.976 -11.004 6.996 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.528 -11.286 6.988 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.763 -12.069 6.231 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.032 -11.532 5.564 1.00 0.00 C ATOM 0 H ILE A 125 -0.414 -8.847 8.206 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.917 -9.606 5.422 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.306 -11.044 8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.062 -10.443 7.426 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.742 -12.156 7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.533 -13.054 6.638 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.831 -11.875 6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.487 -12.038 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.104 -11.730 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.513 -12.391 5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.839 -10.651 4.952 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.396 -9.651 5.309 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.815 -9.396 5.132 1.00 0.00 C ATOM 1927 C HIS A 126 -5.577 -10.723 5.110 1.00 0.00 C ATOM 1928 O HIS A 126 -5.368 -11.547 4.222 1.00 0.00 O ATOM 1929 CB HIS A 126 -5.063 -8.549 3.882 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.410 -7.865 3.861 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -6.672 -6.704 4.566 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -7.564 -8.191 3.212 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -7.931 -6.356 4.345 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -8.483 -7.279 3.506 1.00 0.00 N ATOM 0 H HIS A 126 -2.949 -10.137 4.531 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.191 -8.815 5.974 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.282 -7.793 3.807 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.976 -9.185 3.001 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.706 -9.046 2.568 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -8.432 -5.493 4.757 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -9.443 -7.270 3.161 1.00 0.00 H new ATOM 1942 N SER A 127 -6.444 -10.887 6.098 1.00 0.00 N ATOM 1943 CA SER A 127 -7.237 -12.100 6.203 1.00 0.00 C ATOM 1944 C SER A 127 -8.678 -11.822 5.770 1.00 0.00 C ATOM 1945 O SER A 127 -9.131 -12.329 4.745 1.00 0.00 O ATOM 1946 CB SER A 127 -7.209 -12.655 7.629 1.00 0.00 C ATOM 1947 OG SER A 127 -7.109 -14.076 7.647 1.00 0.00 O ATOM 0 H SER A 127 -6.615 -10.200 6.833 1.00 0.00 H new ATOM 0 HA SER A 127 -6.804 -12.850 5.542 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.365 -12.225 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 127 -8.113 -12.349 8.155 1.00 0.00 H new ATOM 0 HG SER A 127 -7.092 -14.391 8.575 1.00 0.00 H new