USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 774 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 76 SER OG : rot 101:sc= 1.04 USER MOD Set 1.2: A 80 CYS SG : rot -162:sc= 1.24 USER MOD Set 2.1: A 70 ASN : amide:sc= -0.646 K(o=-0.64,f=-4.1!) USER MOD Set 2.2: A 92 SER OG : rot -47:sc= 0.00722 USER MOD Set 3.1: A 65 TYR OH : rot -38:sc= 1.39 USER MOD Set 3.2: A 102 GLN : amide:sc= 0 K(o=1.2,f=0.31) USER MOD Set 3.3: A 147 ASN : amide:sc= -0.222 K(o=1.2,f=-2.2!) USER MOD Single : A 19 THR OG1 : rot -170:sc= -0.0354 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= -0.0437 (180deg=-1.28) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -109:sc= -0.233 (180deg=-1.55) USER MOD Single : A 41 THR OG1 : rot -17:sc= 0.444 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc=-0.00219 X(o=-0.0022,f=0) USER MOD Single : A 59 TYR OH : rot 146:sc= 0.824 USER MOD Single : A 61 CYS SG : rot 180:sc= -2.73 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.018 USER MOD Single : A 73 SER OG : rot 28:sc= 0.589 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 168:sc= 0.718 USER MOD Single : A 84 GLN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.0826 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.69! (180deg=-3.05!) USER MOD Single : A 106 GLN : amide:sc= -1.83! C(o=-1.8!,f=-2.2!) USER MOD Single : A 140 HIS : no HD1:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 143 CYS SG : rot 180:sc= -0.634 USER MOD Single : A 145 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.033) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 10.825 -5.655 -3.244 1.00 0.00 N ATOM 235 CA THR A 19 9.594 -5.665 -4.023 1.00 0.00 C ATOM 236 C THR A 19 8.494 -6.440 -3.305 1.00 0.00 C ATOM 237 O THR A 19 7.478 -5.871 -2.907 1.00 0.00 O ATOM 238 CB THR A 19 9.815 -6.283 -5.417 1.00 0.00 C ATOM 239 OG1 THR A 19 8.671 -7.054 -5.798 1.00 0.00 O ATOM 240 CG2 THR A 19 11.054 -7.165 -5.426 1.00 0.00 C ATOM 0 HA THR A 19 9.286 -4.626 -4.139 1.00 0.00 H new ATOM 0 HB THR A 19 9.960 -5.473 -6.131 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.878 -7.569 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.190 -7.591 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.928 -6.568 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.933 -7.969 -4.700 1.00 0.00 H new ATOM 248 N LYS A 20 8.705 -7.741 -3.142 1.00 0.00 N ATOM 249 CA LYS A 20 7.733 -8.596 -2.470 1.00 0.00 C ATOM 250 C LYS A 20 7.446 -8.089 -1.060 1.00 0.00 C ATOM 251 O LYS A 20 8.348 -7.626 -0.361 1.00 0.00 O ATOM 252 CB LYS A 20 8.244 -10.037 -2.411 1.00 0.00 C ATOM 253 CG LYS A 20 8.575 -10.621 -3.774 1.00 0.00 C ATOM 254 CD LYS A 20 8.526 -12.139 -3.757 1.00 0.00 C ATOM 255 CE LYS A 20 8.668 -12.717 -5.156 1.00 0.00 C ATOM 256 NZ LYS A 20 8.320 -14.165 -5.196 1.00 0.00 N ATOM 0 H LYS A 20 9.541 -8.227 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 20 6.806 -8.569 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.135 -10.072 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.491 -10.661 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.870 -10.242 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.568 -10.292 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.324 -12.523 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.583 -12.469 -3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.022 -12.169 -5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.692 -12.580 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.429 -14.522 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.952 -14.692 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.335 -14.294 -4.889 1.00 0.00 H new ATOM 270 N PHE A 21 6.186 -8.180 -0.648 1.00 0.00 N ATOM 271 CA PHE A 21 5.781 -7.732 0.679 1.00 0.00 C ATOM 272 C PHE A 21 4.538 -8.480 1.150 1.00 0.00 C ATOM 273 O PHE A 21 3.433 -8.243 0.661 1.00 0.00 O ATOM 274 CB PHE A 21 5.512 -6.225 0.671 1.00 0.00 C ATOM 275 CG PHE A 21 6.749 -5.396 0.476 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.708 -5.314 1.471 1.00 0.00 C ATOM 277 CD2 PHE A 21 6.951 -4.698 -0.704 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.848 -4.552 1.295 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.089 -3.935 -0.887 1.00 0.00 C ATOM 280 CZ PHE A 21 9.038 -3.861 0.114 1.00 0.00 C ATOM 0 H PHE A 21 5.428 -8.560 -1.214 1.00 0.00 H new ATOM 0 HA PHE A 21 6.595 -7.945 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.801 -5.995 -0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.040 -5.943 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.564 -5.852 2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.211 -4.751 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.589 -4.497 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.236 -3.397 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.927 -3.264 -0.026 1.00 0.00 H new ATOM 290 N LYS A 22 4.726 -9.385 2.105 1.00 0.00 N ATOM 291 CA LYS A 22 3.621 -10.169 2.645 1.00 0.00 C ATOM 292 C LYS A 22 2.576 -9.264 3.290 1.00 0.00 C ATOM 293 O LYS A 22 2.835 -8.635 4.317 1.00 0.00 O ATOM 294 CB LYS A 22 4.139 -11.180 3.670 1.00 0.00 C ATOM 295 CG LYS A 22 4.561 -12.505 3.058 1.00 0.00 C ATOM 296 CD LYS A 22 5.562 -12.306 1.932 1.00 0.00 C ATOM 297 CE LYS A 22 5.733 -13.572 1.108 1.00 0.00 C ATOM 298 NZ LYS A 22 4.504 -13.900 0.333 1.00 0.00 N ATOM 0 H LYS A 22 5.634 -9.594 2.521 1.00 0.00 H new ATOM 0 HA LYS A 22 3.152 -10.705 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.988 -10.747 4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.362 -11.363 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.000 -13.139 3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.683 -13.027 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.229 -11.493 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.525 -12.009 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.572 -13.449 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.979 -14.404 1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.768 -14.396 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.886 -14.511 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.999 -13.022 0.095 1.00 0.00 H new ATOM 312 N VAL A 23 1.395 -9.204 2.684 1.00 0.00 N ATOM 313 CA VAL A 23 0.311 -8.379 3.201 1.00 0.00 C ATOM 314 C VAL A 23 -0.956 -9.202 3.408 1.00 0.00 C ATOM 315 O VAL A 23 -1.058 -10.335 2.937 1.00 0.00 O ATOM 316 CB VAL A 23 -0.002 -7.205 2.254 1.00 0.00 C ATOM 317 CG1 VAL A 23 1.234 -6.343 2.045 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.534 -7.719 0.926 1.00 0.00 C ATOM 0 H VAL A 23 1.165 -9.718 1.833 1.00 0.00 H new ATOM 0 HA VAL A 23 0.645 -7.983 4.160 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.773 -6.587 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.994 -5.519 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.566 -5.945 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.029 -6.947 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.750 -6.876 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.213 -8.361 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.447 -8.289 1.096 1.00 0.00 H new ATOM 328 N THR A 24 -1.922 -8.624 4.115 1.00 0.00 N ATOM 329 CA THR A 24 -3.182 -9.303 4.386 1.00 0.00 C ATOM 330 C THR A 24 -4.357 -8.335 4.304 1.00 0.00 C ATOM 331 O THR A 24 -4.476 -7.419 5.115 1.00 0.00 O ATOM 332 CB THR A 24 -3.176 -9.968 5.775 1.00 0.00 C ATOM 333 OG1 THR A 24 -2.105 -10.915 5.860 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.500 -10.667 6.047 1.00 0.00 C ATOM 0 H THR A 24 -1.855 -7.686 4.510 1.00 0.00 H new ATOM 0 HA THR A 24 -3.295 -10.074 3.623 1.00 0.00 H new ATOM 0 HB THR A 24 -3.033 -9.190 6.525 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.107 -11.332 6.747 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.471 -11.129 7.034 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.310 -9.939 6.011 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.668 -11.435 5.292 1.00 0.00 H new ATOM 342 N ASN A 25 -5.224 -8.546 3.318 1.00 0.00 N ATOM 343 CA ASN A 25 -6.391 -7.691 3.131 1.00 0.00 C ATOM 344 C ASN A 25 -7.322 -7.769 4.337 1.00 0.00 C ATOM 345 O ASN A 25 -7.575 -8.850 4.871 1.00 0.00 O ATOM 346 CB ASN A 25 -7.146 -8.094 1.863 1.00 0.00 C ATOM 347 CG ASN A 25 -8.479 -7.383 1.733 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.511 -7.891 2.171 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.462 -6.202 1.127 1.00 0.00 N ATOM 0 H ASN A 25 -5.140 -9.301 2.637 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.044 -6.663 3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.531 -7.870 0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.311 -9.171 1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.328 -5.677 1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.582 -5.820 0.780 1.00 0.00 H new ATOM 356 N VAL A 26 -7.830 -6.617 4.761 1.00 0.00 N ATOM 357 CA VAL A 26 -8.734 -6.554 5.903 1.00 0.00 C ATOM 358 C VAL A 26 -9.929 -5.654 5.609 1.00 0.00 C ATOM 359 O VAL A 26 -9.961 -4.960 4.592 1.00 0.00 O ATOM 360 CB VAL A 26 -8.013 -6.037 7.162 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.766 -6.861 7.440 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.666 -4.563 7.010 1.00 0.00 C ATOM 0 H VAL A 26 -7.631 -5.714 4.331 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.084 -7.570 6.086 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.685 -6.142 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.270 -6.481 8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.046 -7.903 7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.087 -6.791 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.157 -4.214 7.909 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.012 -4.430 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.580 -3.987 6.864 1.00 0.00 H new ATOM 372 N ASP A 27 -10.909 -5.670 6.505 1.00 0.00 N ATOM 373 CA ASP A 27 -12.107 -4.854 6.343 1.00 0.00 C ATOM 374 C ASP A 27 -11.980 -3.543 7.113 1.00 0.00 C ATOM 375 O ASP A 27 -10.973 -3.297 7.777 1.00 0.00 O ATOM 376 CB ASP A 27 -13.342 -5.621 6.818 1.00 0.00 C ATOM 377 CG ASP A 27 -13.260 -7.102 6.501 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.317 -7.762 6.985 1.00 0.00 O ATOM 379 OD2 ASP A 27 -14.141 -7.601 5.770 1.00 0.00 O ATOM 0 H ASP A 27 -10.898 -6.239 7.351 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.218 -4.623 5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.457 -5.488 7.894 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.231 -5.200 6.348 1.00 0.00 H new ATOM 384 N ASP A 28 -13.007 -2.706 7.019 1.00 0.00 N ATOM 385 CA ASP A 28 -13.010 -1.420 7.707 1.00 0.00 C ATOM 386 C ASP A 28 -12.661 -1.592 9.182 1.00 0.00 C ATOM 387 O ASP A 28 -12.133 -0.678 9.814 1.00 0.00 O ATOM 388 CB ASP A 28 -14.376 -0.747 7.568 1.00 0.00 C ATOM 389 CG ASP A 28 -14.523 0.458 8.476 1.00 0.00 C ATOM 390 OD1 ASP A 28 -13.760 1.431 8.299 1.00 0.00 O ATOM 391 OD2 ASP A 28 -15.400 0.428 9.365 1.00 0.00 O ATOM 0 H ASP A 28 -13.848 -2.895 6.473 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.253 -0.786 7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.522 -0.438 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.159 -1.470 7.798 1.00 0.00 H new ATOM 396 N GLU A 29 -12.961 -2.768 9.722 1.00 0.00 N ATOM 397 CA GLU A 29 -12.681 -3.058 11.124 1.00 0.00 C ATOM 398 C GLU A 29 -11.268 -3.609 11.293 1.00 0.00 C ATOM 399 O GLU A 29 -10.640 -3.428 12.335 1.00 0.00 O ATOM 400 CB GLU A 29 -13.699 -4.058 11.675 1.00 0.00 C ATOM 401 CG GLU A 29 -15.052 -3.440 11.985 1.00 0.00 C ATOM 402 CD GLU A 29 -16.102 -4.478 12.333 1.00 0.00 C ATOM 403 OE1 GLU A 29 -16.726 -5.027 11.401 1.00 0.00 O ATOM 404 OE2 GLU A 29 -16.298 -4.741 13.538 1.00 0.00 O ATOM 0 H GLU A 29 -13.398 -3.535 9.211 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.759 -2.126 11.684 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.833 -4.863 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.298 -4.509 12.583 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.947 -2.742 12.816 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.389 -2.862 11.124 1.00 0.00 H new ATOM 411 N GLY A 30 -10.774 -4.284 10.259 1.00 0.00 N ATOM 412 CA GLY A 30 -9.440 -4.853 10.313 1.00 0.00 C ATOM 413 C GLY A 30 -9.457 -6.354 10.521 1.00 0.00 C ATOM 414 O GLY A 30 -8.577 -6.907 11.180 1.00 0.00 O ATOM 0 H GLY A 30 -11.274 -4.447 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.913 -4.624 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.881 -4.384 11.122 1.00 0.00 H new ATOM 418 N VAL A 31 -10.463 -7.016 9.959 1.00 0.00 N ATOM 419 CA VAL A 31 -10.592 -8.463 10.086 1.00 0.00 C ATOM 420 C VAL A 31 -9.898 -9.180 8.934 1.00 0.00 C ATOM 421 O VAL A 31 -10.337 -9.102 7.787 1.00 0.00 O ATOM 422 CB VAL A 31 -12.071 -8.893 10.128 1.00 0.00 C ATOM 423 CG1 VAL A 31 -12.184 -10.408 10.209 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.784 -8.234 11.299 1.00 0.00 C ATOM 0 H VAL A 31 -11.201 -6.573 9.411 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.113 -8.742 11.025 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.553 -8.565 9.207 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.236 -10.693 10.238 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.710 -10.855 9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.687 -10.762 11.112 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.827 -8.549 11.313 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.303 -8.530 12.231 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.733 -7.150 11.193 1.00 0.00 H new ATOM 434 N GLU A 32 -8.812 -9.880 9.248 1.00 0.00 N ATOM 435 CA GLU A 32 -8.057 -10.612 8.237 1.00 0.00 C ATOM 436 C GLU A 32 -8.975 -11.517 7.421 1.00 0.00 C ATOM 437 O GLU A 32 -9.692 -12.353 7.973 1.00 0.00 O ATOM 438 CB GLU A 32 -6.956 -11.445 8.896 1.00 0.00 C ATOM 439 CG GLU A 32 -5.924 -10.612 9.639 1.00 0.00 C ATOM 440 CD GLU A 32 -4.727 -11.429 10.085 1.00 0.00 C ATOM 441 OE1 GLU A 32 -4.926 -12.574 10.542 1.00 0.00 O ATOM 442 OE2 GLU A 32 -3.591 -10.922 9.977 1.00 0.00 O ATOM 0 H GLU A 32 -8.436 -9.956 10.193 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.601 -9.886 7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.412 -12.149 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.452 -12.035 8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.586 -9.800 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.392 -10.154 10.510 1.00 0.00 H new ATOM 449 N LEU A 33 -8.950 -11.342 6.105 1.00 0.00 N ATOM 450 CA LEU A 33 -9.780 -12.142 5.211 1.00 0.00 C ATOM 451 C LEU A 33 -8.935 -13.153 4.442 1.00 0.00 C ATOM 452 O LEU A 33 -9.155 -14.360 4.534 1.00 0.00 O ATOM 453 CB LEU A 33 -10.529 -11.237 4.231 1.00 0.00 C ATOM 454 CG LEU A 33 -11.362 -10.117 4.856 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.889 -9.181 3.780 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.509 -10.697 5.670 1.00 0.00 C ATOM 0 H LEU A 33 -8.364 -10.653 5.633 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.503 -12.687 5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.802 -10.788 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.188 -11.858 3.625 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.722 -9.543 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.479 -8.390 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.052 -8.740 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.514 -9.741 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.091 -9.886 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.150 -11.295 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.109 -11.326 6.465 1.00 0.00 H new ATOM 468 N GLY A 34 -7.964 -12.651 3.684 1.00 0.00 N ATOM 469 CA GLY A 34 -7.099 -13.524 2.912 1.00 0.00 C ATOM 470 C GLY A 34 -5.708 -12.950 2.732 1.00 0.00 C ATOM 471 O GLY A 34 -5.539 -11.735 2.623 1.00 0.00 O ATOM 0 H GLY A 34 -7.761 -11.656 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.028 -14.492 3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.546 -13.700 1.933 1.00 0.00 H new ATOM 475 N SER A 35 -4.707 -13.825 2.702 1.00 0.00 N ATOM 476 CA SER A 35 -3.323 -13.397 2.540 1.00 0.00 C ATOM 477 C SER A 35 -2.911 -13.437 1.071 1.00 0.00 C ATOM 478 O SER A 35 -3.443 -14.222 0.287 1.00 0.00 O ATOM 479 CB SER A 35 -2.392 -14.286 3.367 1.00 0.00 C ATOM 480 OG SER A 35 -2.354 -15.605 2.850 1.00 0.00 O ATOM 0 H SER A 35 -4.829 -14.834 2.788 1.00 0.00 H new ATOM 0 HA SER A 35 -3.242 -12.369 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.387 -13.864 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.730 -14.308 4.403 1.00 0.00 H new ATOM 0 HG SER A 35 -1.751 -16.153 3.395 1.00 0.00 H new ATOM 486 N GLY A 36 -1.958 -12.585 0.707 1.00 0.00 N ATOM 487 CA GLY A 36 -1.489 -12.538 -0.666 1.00 0.00 C ATOM 488 C GLY A 36 -0.112 -11.917 -0.788 1.00 0.00 C ATOM 489 O GLY A 36 0.419 -11.371 0.180 1.00 0.00 O ATOM 0 H GLY A 36 -1.502 -11.926 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.466 -13.549 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.196 -11.968 -1.269 1.00 0.00 H new ATOM 493 N VAL A 37 0.470 -12.001 -1.980 1.00 0.00 N ATOM 494 CA VAL A 37 1.795 -11.444 -2.225 1.00 0.00 C ATOM 495 C VAL A 37 1.702 -10.104 -2.947 1.00 0.00 C ATOM 496 O VAL A 37 1.182 -10.022 -4.060 1.00 0.00 O ATOM 497 CB VAL A 37 2.663 -12.405 -3.058 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.138 -12.072 -2.893 1.00 0.00 C ATOM 499 CG2 VAL A 37 2.387 -13.848 -2.665 1.00 0.00 C ATOM 0 H VAL A 37 0.045 -12.450 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 37 2.262 -11.297 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 37 2.403 -12.282 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.736 -12.762 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.320 -11.051 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.417 -12.164 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.009 -14.513 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.618 -13.988 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.336 -14.078 -2.840 1.00 0.00 H new ATOM 509 N MET A 38 2.210 -9.056 -2.307 1.00 0.00 N ATOM 510 CA MET A 38 2.187 -7.720 -2.890 1.00 0.00 C ATOM 511 C MET A 38 3.487 -7.427 -3.632 1.00 0.00 C ATOM 512 O MET A 38 4.521 -7.175 -3.014 1.00 0.00 O ATOM 513 CB MET A 38 1.959 -6.669 -1.801 1.00 0.00 C ATOM 514 CG MET A 38 1.951 -5.243 -2.325 1.00 0.00 C ATOM 515 SD MET A 38 0.958 -4.134 -1.307 1.00 0.00 S ATOM 516 CE MET A 38 -0.692 -4.728 -1.671 1.00 0.00 C ATOM 0 H MET A 38 2.643 -9.106 -1.385 1.00 0.00 H new ATOM 0 HA MET A 38 1.365 -7.677 -3.604 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.009 -6.871 -1.306 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.739 -6.765 -1.046 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.974 -4.871 -2.369 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.565 -5.237 -3.344 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.217 -3.993 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.628 -5.671 -2.214 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.237 -4.883 -0.740 1.00 0.00 H new ATOM 526 N GLU A 39 3.426 -7.462 -4.959 1.00 0.00 N ATOM 527 CA GLU A 39 4.600 -7.202 -5.784 1.00 0.00 C ATOM 528 C GLU A 39 4.499 -5.837 -6.459 1.00 0.00 C ATOM 529 O GLU A 39 3.425 -5.429 -6.903 1.00 0.00 O ATOM 530 CB GLU A 39 4.761 -8.295 -6.842 1.00 0.00 C ATOM 531 CG GLU A 39 5.876 -8.020 -7.837 1.00 0.00 C ATOM 532 CD GLU A 39 5.967 -9.079 -8.918 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.275 -8.936 -9.948 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.729 -10.051 -8.736 1.00 0.00 O ATOM 0 H GLU A 39 2.577 -7.668 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 39 5.475 -7.204 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.956 -9.245 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.822 -8.406 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.713 -7.047 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.826 -7.965 -7.306 1.00 0.00 H new ATOM 541 N LEU A 40 5.624 -5.135 -6.532 1.00 0.00 N ATOM 542 CA LEU A 40 5.664 -3.815 -7.152 1.00 0.00 C ATOM 543 C LEU A 40 6.701 -3.769 -8.269 1.00 0.00 C ATOM 544 O LEU A 40 7.888 -4.001 -8.040 1.00 0.00 O ATOM 545 CB LEU A 40 5.979 -2.746 -6.104 1.00 0.00 C ATOM 546 CG LEU A 40 4.776 -2.140 -5.380 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.173 -3.146 -4.412 1.00 0.00 C ATOM 548 CD2 LEU A 40 5.179 -0.868 -4.648 1.00 0.00 C ATOM 0 H LEU A 40 6.521 -5.458 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 40 4.683 -3.614 -7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.645 -3.182 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.529 -1.940 -6.590 1.00 0.00 H new ATOM 0 HG LEU A 40 4.021 -1.884 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.318 -2.697 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.847 -4.029 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.921 -3.434 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.310 -0.451 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.953 -1.099 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.563 -0.142 -5.365 1.00 0.00 H new ATOM 560 N THR A 41 6.245 -3.465 -9.481 1.00 0.00 N ATOM 561 CA THR A 41 7.133 -3.387 -10.634 1.00 0.00 C ATOM 562 C THR A 41 7.020 -2.032 -11.324 1.00 0.00 C ATOM 563 O THR A 41 5.937 -1.451 -11.396 1.00 0.00 O ATOM 564 CB THR A 41 6.825 -4.498 -11.656 1.00 0.00 C ATOM 565 OG1 THR A 41 5.493 -4.346 -12.159 1.00 0.00 O ATOM 566 CG2 THR A 41 6.980 -5.873 -11.023 1.00 0.00 C ATOM 0 H THR A 41 5.266 -3.269 -9.689 1.00 0.00 H new ATOM 0 HA THR A 41 8.149 -3.518 -10.261 1.00 0.00 H new ATOM 0 HB THR A 41 7.535 -4.412 -12.479 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.984 -3.757 -11.564 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.758 -6.642 -11.763 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.003 -5.997 -10.668 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.291 -5.967 -10.184 1.00 0.00 H new ATOM 574 N GLN A 42 8.144 -1.536 -11.831 1.00 0.00 N ATOM 575 CA GLN A 42 8.170 -0.249 -12.515 1.00 0.00 C ATOM 576 C GLN A 42 6.936 -0.075 -13.395 1.00 0.00 C ATOM 577 O GLN A 42 6.437 1.037 -13.569 1.00 0.00 O ATOM 578 CB GLN A 42 9.437 -0.124 -13.363 1.00 0.00 C ATOM 579 CG GLN A 42 10.718 -0.359 -12.581 1.00 0.00 C ATOM 580 CD GLN A 42 11.961 -0.189 -13.432 1.00 0.00 C ATOM 581 OE1 GLN A 42 11.901 0.344 -14.540 1.00 0.00 O ATOM 582 NE2 GLN A 42 13.099 -0.640 -12.916 1.00 0.00 N ATOM 0 H GLN A 42 9.048 -2.006 -11.781 1.00 0.00 H new ATOM 0 HA GLN A 42 8.168 0.536 -11.759 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.386 -0.839 -14.184 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.470 0.871 -13.808 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.759 0.335 -11.742 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.704 -1.365 -12.162 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.104 -1.075 -11.994 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.968 -0.551 -13.442 1.00 0.00 H new ATOM 591 N SER A 43 6.448 -1.181 -13.947 1.00 0.00 N ATOM 592 CA SER A 43 5.275 -1.151 -14.812 1.00 0.00 C ATOM 593 C SER A 43 4.036 -0.722 -14.032 1.00 0.00 C ATOM 594 O SER A 43 3.533 0.387 -14.206 1.00 0.00 O ATOM 595 CB SER A 43 5.044 -2.525 -15.443 1.00 0.00 C ATOM 596 OG SER A 43 6.196 -2.966 -16.141 1.00 0.00 O ATOM 0 H SER A 43 6.847 -2.110 -13.810 1.00 0.00 H new ATOM 0 HA SER A 43 5.456 -0.423 -15.602 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.787 -3.246 -14.667 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.197 -2.477 -16.127 1.00 0.00 H new ATOM 0 HG SER A 43 6.023 -3.847 -16.534 1.00 0.00 H new ATOM 602 N GLU A 44 3.549 -1.611 -13.171 1.00 0.00 N ATOM 603 CA GLU A 44 2.369 -1.325 -12.365 1.00 0.00 C ATOM 604 C GLU A 44 2.366 -2.162 -11.089 1.00 0.00 C ATOM 605 O GLU A 44 3.240 -3.005 -10.884 1.00 0.00 O ATOM 606 CB GLU A 44 1.096 -1.597 -13.169 1.00 0.00 C ATOM 607 CG GLU A 44 1.051 -2.985 -13.786 1.00 0.00 C ATOM 608 CD GLU A 44 1.765 -3.053 -15.122 1.00 0.00 C ATOM 609 OE1 GLU A 44 1.728 -2.053 -15.867 1.00 0.00 O ATOM 610 OE2 GLU A 44 2.361 -4.109 -15.421 1.00 0.00 O ATOM 0 H GLU A 44 3.954 -2.534 -13.014 1.00 0.00 H new ATOM 0 HA GLU A 44 2.397 -0.271 -12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.231 -1.470 -12.518 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.011 -0.853 -13.961 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.505 -3.699 -13.099 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.012 -3.286 -13.918 1.00 0.00 H new ATOM 617 N LEU A 45 1.377 -1.923 -10.234 1.00 0.00 N ATOM 618 CA LEU A 45 1.259 -2.654 -8.977 1.00 0.00 C ATOM 619 C LEU A 45 0.596 -4.010 -9.196 1.00 0.00 C ATOM 620 O LEU A 45 -0.460 -4.102 -9.822 1.00 0.00 O ATOM 621 CB LEU A 45 0.456 -1.837 -7.963 1.00 0.00 C ATOM 622 CG LEU A 45 0.835 -2.030 -6.494 1.00 0.00 C ATOM 623 CD1 LEU A 45 0.010 -1.113 -5.605 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.651 -3.483 -6.082 1.00 0.00 C ATOM 0 H LEU A 45 0.646 -1.229 -10.388 1.00 0.00 H new ATOM 0 HA LEU A 45 2.263 -2.821 -8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.565 -0.781 -8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.599 -2.085 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 45 1.886 -1.770 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.294 -1.264 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.193 -0.075 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.049 -1.341 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.925 -3.602 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.391 -3.771 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.287 -4.119 -6.698 1.00 0.00 H new ATOM 636 N VAL A 46 1.221 -5.060 -8.673 1.00 0.00 N ATOM 637 CA VAL A 46 0.690 -6.411 -8.808 1.00 0.00 C ATOM 638 C VAL A 46 0.395 -7.024 -7.444 1.00 0.00 C ATOM 639 O VAL A 46 1.033 -6.684 -6.447 1.00 0.00 O ATOM 640 CB VAL A 46 1.668 -7.325 -9.569 1.00 0.00 C ATOM 641 CG1 VAL A 46 1.107 -8.735 -9.677 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.967 -6.755 -10.948 1.00 0.00 C ATOM 0 H VAL A 46 2.096 -5.001 -8.152 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.237 -6.332 -9.376 1.00 0.00 H new ATOM 0 HB VAL A 46 2.603 -7.373 -9.010 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.812 -9.367 -10.218 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.949 -9.141 -8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.158 -8.709 -10.213 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.660 -7.414 -11.472 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.041 -6.676 -11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.415 -5.767 -10.844 1.00 0.00 H new ATOM 652 N LEU A 47 -0.575 -7.932 -7.407 1.00 0.00 N ATOM 653 CA LEU A 47 -0.955 -8.595 -6.164 1.00 0.00 C ATOM 654 C LEU A 47 -1.433 -10.018 -6.430 1.00 0.00 C ATOM 655 O LEU A 47 -2.525 -10.229 -6.960 1.00 0.00 O ATOM 656 CB LEU A 47 -2.053 -7.800 -5.454 1.00 0.00 C ATOM 657 CG LEU A 47 -2.182 -8.032 -3.948 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.495 -7.465 -3.431 1.00 0.00 C ATOM 659 CD2 LEU A 47 -2.076 -9.515 -3.626 1.00 0.00 C ATOM 0 H LEU A 47 -1.112 -8.226 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.075 -8.641 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.873 -6.738 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.008 -8.040 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.364 -7.513 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.569 -7.639 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.531 -6.394 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.327 -7.955 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.170 -9.661 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.873 -10.056 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.109 -9.892 -3.960 1.00 0.00 H new ATOM 671 N HIS A 48 -0.609 -10.993 -6.059 1.00 0.00 N ATOM 672 CA HIS A 48 -0.950 -12.398 -6.255 1.00 0.00 C ATOM 673 C HIS A 48 -1.919 -12.878 -5.179 1.00 0.00 C ATOM 674 O HIS A 48 -1.958 -12.331 -4.076 1.00 0.00 O ATOM 675 CB HIS A 48 0.315 -13.258 -6.239 1.00 0.00 C ATOM 676 CG HIS A 48 1.309 -12.880 -7.294 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.433 -13.557 -8.488 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.228 -11.887 -7.328 1.00 0.00 C ATOM 679 CE1 HIS A 48 2.387 -12.998 -9.211 1.00 0.00 C ATOM 680 NE2 HIS A 48 2.886 -11.982 -8.530 1.00 0.00 N ATOM 0 H HIS A 48 0.299 -10.836 -5.621 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.436 -12.496 -7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.788 -13.177 -5.260 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.036 -14.303 -6.372 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.410 -11.156 -6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.705 -13.318 -10.192 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.637 -11.368 -8.845 1.00 0.00 H new ATOM 689 N LEU A 49 -2.700 -13.901 -5.507 1.00 0.00 N ATOM 690 CA LEU A 49 -3.670 -14.455 -4.569 1.00 0.00 C ATOM 691 C LEU A 49 -3.893 -15.941 -4.829 1.00 0.00 C ATOM 692 O LEU A 49 -3.863 -16.392 -5.975 1.00 0.00 O ATOM 693 CB LEU A 49 -4.997 -13.701 -4.674 1.00 0.00 C ATOM 694 CG LEU A 49 -4.935 -12.194 -4.427 1.00 0.00 C ATOM 695 CD1 LEU A 49 -6.037 -11.481 -5.195 1.00 0.00 C ATOM 696 CD2 LEU A 49 -5.039 -11.892 -2.939 1.00 0.00 C ATOM 0 H LEU A 49 -2.681 -14.364 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.272 -14.339 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.409 -13.869 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.697 -14.137 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.974 -11.826 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.977 -10.409 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.917 -11.669 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.008 -11.853 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.993 -10.814 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.985 -12.274 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.214 -12.371 -2.412 1.00 0.00 H new ATOM 789 N ALA A 54 -4.769 -12.831 -10.603 1.00 0.00 N ATOM 790 CA ALA A 54 -3.882 -11.796 -10.088 1.00 0.00 C ATOM 791 C ALA A 54 -4.373 -10.407 -10.480 1.00 0.00 C ATOM 792 O ALA A 54 -4.705 -10.159 -11.640 1.00 0.00 O ATOM 793 CB ALA A 54 -2.463 -12.018 -10.591 1.00 0.00 C ATOM 0 HA ALA A 54 -3.884 -11.860 -9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.811 -11.237 -10.198 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.106 -12.992 -10.255 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.454 -11.984 -11.680 1.00 0.00 H new ATOM 799 N VAL A 55 -4.418 -9.503 -9.507 1.00 0.00 N ATOM 800 CA VAL A 55 -4.868 -8.138 -9.751 1.00 0.00 C ATOM 801 C VAL A 55 -3.698 -7.228 -10.106 1.00 0.00 C ATOM 802 O VAL A 55 -2.563 -7.468 -9.692 1.00 0.00 O ATOM 803 CB VAL A 55 -5.600 -7.560 -8.525 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.288 -6.251 -8.881 1.00 0.00 C ATOM 805 CG2 VAL A 55 -6.601 -8.567 -7.980 1.00 0.00 C ATOM 0 H VAL A 55 -4.148 -9.692 -8.542 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.560 -8.179 -10.592 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.864 -7.355 -7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.800 -5.858 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.545 -5.530 -9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.014 -6.426 -9.675 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.109 -8.143 -7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.334 -8.805 -8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.078 -9.476 -7.684 1.00 0.00 H new ATOM 815 N ARG A 56 -3.980 -6.182 -10.876 1.00 0.00 N ATOM 816 CA ARG A 56 -2.951 -5.235 -11.287 1.00 0.00 C ATOM 817 C ARG A 56 -3.478 -3.804 -11.242 1.00 0.00 C ATOM 818 O ARG A 56 -4.435 -3.462 -11.937 1.00 0.00 O ATOM 819 CB ARG A 56 -2.460 -5.565 -12.698 1.00 0.00 C ATOM 820 CG ARG A 56 -1.916 -6.977 -12.839 1.00 0.00 C ATOM 821 CD ARG A 56 -1.955 -7.447 -14.285 1.00 0.00 C ATOM 822 NE ARG A 56 -0.898 -8.412 -14.576 1.00 0.00 N ATOM 823 CZ ARG A 56 0.396 -8.111 -14.562 1.00 0.00 C ATOM 824 NH1 ARG A 56 0.791 -6.879 -14.273 1.00 0.00 N ATOM 825 NH2 ARG A 56 1.298 -9.045 -14.837 1.00 0.00 N ATOM 0 H ARG A 56 -4.913 -5.969 -11.228 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.117 -5.318 -10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.282 -5.430 -13.401 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.682 -4.855 -12.978 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.890 -7.011 -12.472 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.500 -7.657 -12.218 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.925 -7.898 -14.493 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.854 -6.588 -14.948 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.168 -9.369 -14.802 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.101 -6.159 -14.060 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.785 -6.651 -14.263 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.998 -9.994 -15.059 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.291 -8.814 -14.826 1.00 0.00 H new ATOM 839 N TRP A 57 -2.848 -2.973 -10.419 1.00 0.00 N ATOM 840 CA TRP A 57 -3.255 -1.579 -10.283 1.00 0.00 C ATOM 841 C TRP A 57 -2.168 -0.642 -10.798 1.00 0.00 C ATOM 842 O TRP A 57 -1.078 -0.547 -10.234 1.00 0.00 O ATOM 843 CB TRP A 57 -3.570 -1.259 -8.821 1.00 0.00 C ATOM 844 CG TRP A 57 -4.754 -2.009 -8.290 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.066 -1.793 -8.600 1.00 0.00 C ATOM 846 CD2 TRP A 57 -4.734 -3.093 -7.355 1.00 0.00 C ATOM 847 NE1 TRP A 57 -6.863 -2.678 -7.915 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.070 -3.486 -7.145 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.717 -3.771 -6.677 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.412 -4.526 -6.284 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.059 -4.802 -5.823 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.397 -5.172 -5.633 1.00 0.00 C ATOM 0 H TRP A 57 -2.054 -3.240 -9.837 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.153 -1.428 -10.883 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.698 -1.491 -8.210 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.753 -0.189 -8.722 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.425 -1.037 -9.283 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.880 -2.725 -7.971 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.683 -3.494 -6.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.443 -4.812 -6.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.282 -5.332 -5.293 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.632 -5.983 -4.959 1.00 0.00 H new ATOM 863 N PRO A 58 -2.468 0.067 -11.896 1.00 0.00 N ATOM 864 CA PRO A 58 -1.529 1.010 -12.511 1.00 0.00 C ATOM 865 C PRO A 58 -1.306 2.250 -11.652 1.00 0.00 C ATOM 866 O PRO A 58 -2.251 2.809 -11.095 1.00 0.00 O ATOM 867 CB PRO A 58 -2.215 1.387 -13.826 1.00 0.00 C ATOM 868 CG PRO A 58 -3.667 1.165 -13.574 1.00 0.00 C ATOM 869 CD PRO A 58 -3.748 0.004 -12.622 1.00 0.00 C ATOM 0 HA PRO A 58 -0.539 0.573 -12.641 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.014 2.424 -14.094 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.857 0.770 -14.650 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.129 2.054 -13.146 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.195 0.947 -14.502 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.598 0.097 -11.946 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.864 -0.942 -13.151 1.00 0.00 H new ATOM 877 N TYR A 59 -0.052 2.674 -11.548 1.00 0.00 N ATOM 878 CA TYR A 59 0.295 3.847 -10.755 1.00 0.00 C ATOM 879 C TYR A 59 -0.287 5.115 -11.373 1.00 0.00 C ATOM 880 O TYR A 59 -0.910 5.926 -10.686 1.00 0.00 O ATOM 881 CB TYR A 59 1.814 3.977 -10.635 1.00 0.00 C ATOM 882 CG TYR A 59 2.511 2.670 -10.328 1.00 0.00 C ATOM 883 CD1 TYR A 59 2.094 1.870 -9.272 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.586 2.237 -11.094 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.728 0.676 -8.987 1.00 0.00 C ATOM 886 CE2 TYR A 59 4.225 1.044 -10.817 1.00 0.00 C ATOM 887 CZ TYR A 59 3.793 0.267 -9.763 1.00 0.00 C ATOM 888 OH TYR A 59 4.427 -0.922 -9.484 1.00 0.00 O ATOM 0 H TYR A 59 0.742 2.223 -12.003 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.132 3.720 -9.760 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.211 4.381 -11.567 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.048 4.697 -9.851 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.260 2.187 -8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.928 2.843 -11.920 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.392 0.066 -8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.059 0.721 -11.423 1.00 0.00 H new ATOM 0 HH TYR A 59 4.724 -1.338 -10.320 1.00 0.00 H new ATOM 898 N LEU A 60 -0.081 5.279 -12.675 1.00 0.00 N ATOM 899 CA LEU A 60 -0.585 6.447 -13.389 1.00 0.00 C ATOM 900 C LEU A 60 -2.043 6.718 -13.028 1.00 0.00 C ATOM 901 O LEU A 60 -2.534 7.836 -13.187 1.00 0.00 O ATOM 902 CB LEU A 60 -0.451 6.244 -14.899 1.00 0.00 C ATOM 903 CG LEU A 60 -1.376 5.197 -15.521 1.00 0.00 C ATOM 904 CD1 LEU A 60 -2.696 5.829 -15.933 1.00 0.00 C ATOM 905 CD2 LEU A 60 -0.704 4.534 -16.714 1.00 0.00 C ATOM 0 H LEU A 60 0.432 4.618 -13.258 1.00 0.00 H new ATOM 0 HA LEU A 60 0.011 7.310 -13.091 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.634 7.199 -15.391 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.580 5.965 -15.118 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.582 4.431 -14.773 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.341 5.069 -16.374 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.184 6.256 -15.057 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.510 6.616 -16.664 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.376 3.792 -17.144 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.468 5.289 -17.465 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.215 4.046 -16.389 1.00 0.00 H new ATOM 917 N CYS A 61 -2.727 5.688 -12.542 1.00 0.00 N ATOM 918 CA CYS A 61 -4.128 5.816 -12.157 1.00 0.00 C ATOM 919 C CYS A 61 -4.259 6.090 -10.662 1.00 0.00 C ATOM 920 O CYS A 61 -5.217 6.725 -10.218 1.00 0.00 O ATOM 921 CB CYS A 61 -4.897 4.545 -12.524 1.00 0.00 C ATOM 922 SG CYS A 61 -4.961 4.208 -14.299 1.00 0.00 S ATOM 0 H CYS A 61 -2.335 4.756 -12.405 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.553 6.660 -12.701 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.436 3.696 -12.020 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.915 4.627 -12.144 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.630 3.113 -14.509 1.00 0.00 H new ATOM 928 N LEU A 62 -3.292 5.606 -9.891 1.00 0.00 N ATOM 929 CA LEU A 62 -3.300 5.798 -8.445 1.00 0.00 C ATOM 930 C LEU A 62 -3.417 7.277 -8.092 1.00 0.00 C ATOM 931 O LEU A 62 -2.411 7.960 -7.894 1.00 0.00 O ATOM 932 CB LEU A 62 -2.028 5.213 -7.827 1.00 0.00 C ATOM 933 CG LEU A 62 -1.916 3.688 -7.839 1.00 0.00 C ATOM 934 CD1 LEU A 62 -0.641 3.242 -7.140 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.135 3.058 -7.183 1.00 0.00 C ATOM 0 H LEU A 62 -2.493 5.078 -10.242 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.167 5.278 -8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.169 5.625 -8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.960 5.554 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.874 3.354 -8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.578 2.154 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.223 3.664 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.653 3.588 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.038 1.973 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.209 3.399 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.033 3.351 -7.727 1.00 0.00 H new ATOM 947 N ARG A 63 -4.650 7.765 -8.013 1.00 0.00 N ATOM 948 CA ARG A 63 -4.899 9.164 -7.683 1.00 0.00 C ATOM 949 C ARG A 63 -4.169 9.558 -6.402 1.00 0.00 C ATOM 950 O ARG A 63 -3.382 10.504 -6.390 1.00 0.00 O ATOM 951 CB ARG A 63 -6.400 9.413 -7.525 1.00 0.00 C ATOM 952 CG ARG A 63 -6.765 10.886 -7.430 1.00 0.00 C ATOM 953 CD ARG A 63 -8.258 11.103 -7.620 1.00 0.00 C ATOM 954 NE ARG A 63 -8.686 12.415 -7.144 1.00 0.00 N ATOM 955 CZ ARG A 63 -8.838 12.718 -5.860 1.00 0.00 C ATOM 956 NH1 ARG A 63 -8.597 11.806 -4.928 1.00 0.00 N ATOM 957 NH2 ARG A 63 -9.230 13.935 -5.506 1.00 0.00 N ATOM 0 H ARG A 63 -5.493 7.213 -8.173 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.520 9.778 -8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.924 8.971 -8.372 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.753 8.901 -6.630 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.460 11.276 -6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.215 11.448 -8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.507 11.002 -8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.808 10.327 -7.087 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.879 13.139 -7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.294 10.870 -5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.714 12.041 -3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.415 14.639 -6.220 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.346 14.166 -4.519 1.00 0.00 H new ATOM 971 N ARG A 64 -4.438 8.826 -5.325 1.00 0.00 N ATOM 972 CA ARG A 64 -3.809 9.100 -4.039 1.00 0.00 C ATOM 973 C ARG A 64 -3.421 7.802 -3.336 1.00 0.00 C ATOM 974 O ARG A 64 -3.810 6.714 -3.761 1.00 0.00 O ATOM 975 CB ARG A 64 -4.751 9.913 -3.149 1.00 0.00 C ATOM 976 CG ARG A 64 -5.963 9.131 -2.671 1.00 0.00 C ATOM 977 CD ARG A 64 -6.843 9.970 -1.758 1.00 0.00 C ATOM 978 NE ARG A 64 -7.909 9.180 -1.147 1.00 0.00 N ATOM 979 CZ ARG A 64 -8.936 9.713 -0.495 1.00 0.00 C ATOM 980 NH1 ARG A 64 -9.036 11.029 -0.370 1.00 0.00 N ATOM 981 NH2 ARG A 64 -9.867 8.928 0.033 1.00 0.00 N ATOM 0 H ARG A 64 -5.087 8.039 -5.318 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.904 9.679 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.197 10.274 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.089 10.791 -3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.544 8.796 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.635 8.237 -2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.230 10.418 -0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.281 10.789 -2.329 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.862 8.164 -1.225 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.323 11.635 -0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.826 11.435 0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.794 7.915 -0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.656 9.338 0.534 1.00 0.00 H new ATOM 995 N TYR A 65 -2.653 7.925 -2.259 1.00 0.00 N ATOM 996 CA TYR A 65 -2.210 6.763 -1.499 1.00 0.00 C ATOM 997 C TYR A 65 -1.562 7.186 -0.184 1.00 0.00 C ATOM 998 O TYR A 65 -1.180 8.343 -0.011 1.00 0.00 O ATOM 999 CB TYR A 65 -1.224 5.933 -2.323 1.00 0.00 C ATOM 1000 CG TYR A 65 -0.102 6.749 -2.925 1.00 0.00 C ATOM 1001 CD1 TYR A 65 -0.309 7.514 -4.066 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.164 6.753 -2.354 1.00 0.00 C ATOM 1003 CE1 TYR A 65 0.713 8.260 -4.621 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.191 7.497 -2.900 1.00 0.00 C ATOM 1005 CZ TYR A 65 1.961 8.249 -4.034 1.00 0.00 C ATOM 1006 OH TYR A 65 2.983 8.991 -4.582 1.00 0.00 O ATOM 0 H TYR A 65 -2.324 8.818 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.085 6.154 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.797 5.156 -1.689 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.766 5.429 -3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.286 7.526 -4.527 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.348 6.164 -1.468 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.536 8.848 -5.509 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.169 7.490 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 65 2.925 8.956 -5.560 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.441 6.238 0.740 1.00 0.00 N ATOM 1017 CA GLY A 66 -0.838 6.531 2.028 1.00 0.00 C ATOM 1018 C GLY A 66 -0.394 5.279 2.758 1.00 0.00 C ATOM 1019 O GLY A 66 -0.427 4.182 2.200 1.00 0.00 O ATOM 0 H GLY A 66 -1.749 5.273 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.020 7.187 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.553 7.074 2.646 1.00 0.00 H new ATOM 1023 N TYR A 67 0.025 5.442 4.008 1.00 0.00 N ATOM 1024 CA TYR A 67 0.482 4.317 4.814 1.00 0.00 C ATOM 1025 C TYR A 67 0.567 4.701 6.288 1.00 0.00 C ATOM 1026 O TYR A 67 1.236 5.668 6.651 1.00 0.00 O ATOM 1027 CB TYR A 67 1.847 3.832 4.323 1.00 0.00 C ATOM 1028 CG TYR A 67 3.008 4.626 4.878 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.231 5.938 4.479 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.882 4.064 5.801 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.290 6.668 4.983 1.00 0.00 C ATOM 1032 CE2 TYR A 67 4.943 4.787 6.311 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.143 6.088 5.899 1.00 0.00 C ATOM 1034 OH TYR A 67 6.200 6.810 6.404 1.00 0.00 O ATOM 0 H TYR A 67 0.057 6.343 4.485 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.243 3.510 4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.971 2.784 4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.871 3.882 3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.565 6.395 3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.729 3.045 6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.449 7.687 4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.612 4.336 7.029 1.00 0.00 H new ATOM 0 HH TYR A 67 6.702 6.256 7.037 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.116 3.935 7.132 1.00 0.00 N ATOM 1045 CA ASP A 68 -0.118 4.193 8.567 1.00 0.00 C ATOM 1046 C ASP A 68 0.555 3.052 9.325 1.00 0.00 C ATOM 1047 O ASP A 68 1.042 2.096 8.722 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.550 4.381 9.071 1.00 0.00 C ATOM 1049 CG ASP A 68 -2.016 5.820 8.965 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.619 6.502 7.997 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -2.777 6.265 9.850 1.00 0.00 O ATOM 0 H ASP A 68 -0.675 3.131 6.847 1.00 0.00 H new ATOM 0 HA ASP A 68 0.446 5.108 8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.221 3.742 8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.612 4.057 10.110 1.00 0.00 H new ATOM 1056 N SER A 69 0.578 3.161 10.649 1.00 0.00 N ATOM 1057 CA SER A 69 1.196 2.141 11.489 1.00 0.00 C ATOM 1058 C SER A 69 0.965 0.748 10.911 1.00 0.00 C ATOM 1059 O SER A 69 -0.168 0.272 10.846 1.00 0.00 O ATOM 1060 CB SER A 69 0.637 2.215 12.912 1.00 0.00 C ATOM 1061 OG SER A 69 0.608 3.552 13.380 1.00 0.00 O ATOM 0 H SER A 69 0.176 3.945 11.164 1.00 0.00 H new ATOM 0 HA SER A 69 2.269 2.330 11.518 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.370 1.797 12.933 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.248 1.606 13.578 1.00 0.00 H new ATOM 0 HG SER A 69 0.245 3.572 14.290 1.00 0.00 H new ATOM 1067 N ASN A 70 2.047 0.101 10.493 1.00 0.00 N ATOM 1068 CA ASN A 70 1.964 -1.237 9.920 1.00 0.00 C ATOM 1069 C ASN A 70 0.681 -1.404 9.111 1.00 0.00 C ATOM 1070 O ASN A 70 -0.047 -2.384 9.275 1.00 0.00 O ATOM 1071 CB ASN A 70 2.024 -2.293 11.026 1.00 0.00 C ATOM 1072 CG ASN A 70 3.283 -2.182 11.863 1.00 0.00 C ATOM 1073 OD1 ASN A 70 3.870 -1.107 11.983 1.00 0.00 O ATOM 1074 ND2 ASN A 70 3.704 -3.298 12.448 1.00 0.00 N ATOM 0 H ASN A 70 2.992 0.482 10.540 1.00 0.00 H new ATOM 0 HA ASN A 70 2.814 -1.372 9.251 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.152 -2.189 11.671 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.974 -3.286 10.580 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.546 -3.286 13.024 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.186 -4.167 12.321 1.00 0.00 H new ATOM 1081 N LEU A 71 0.410 -0.440 8.237 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.785 -0.480 7.401 1.00 0.00 C ATOM 1083 C LEU A 71 -0.500 0.093 6.017 1.00 0.00 C ATOM 1084 O LEU A 71 0.299 1.018 5.868 1.00 0.00 O ATOM 1085 CB LEU A 71 -1.921 0.301 8.065 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.314 0.097 7.467 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.922 -1.205 7.964 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.217 1.274 7.807 1.00 0.00 C ATOM 0 H LEU A 71 1.001 0.378 8.089 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.086 -1.522 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.956 0.027 9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.680 1.363 8.020 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.219 0.039 6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.913 -1.334 7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.285 -2.039 7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.004 -1.177 9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.204 1.112 7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.306 1.363 8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.788 2.190 7.401 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.160 -0.462 5.005 1.00 0.00 N ATOM 1101 CA PHE A 72 -0.978 -0.006 3.632 1.00 0.00 C ATOM 1102 C PHE A 72 -2.324 0.158 2.931 1.00 0.00 C ATOM 1103 O PHE A 72 -3.002 -0.824 2.629 1.00 0.00 O ATOM 1104 CB PHE A 72 -0.103 -0.992 2.856 1.00 0.00 C ATOM 1105 CG PHE A 72 0.150 -0.579 1.435 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.656 0.678 1.145 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.116 -1.448 0.389 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.889 1.061 -0.163 1.00 0.00 C ATOM 1109 CE2 PHE A 72 0.115 -1.070 -0.921 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.620 0.185 -1.197 1.00 0.00 C ATOM 0 H PHE A 72 -1.825 -1.228 5.110 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.482 0.964 3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.852 -1.100 3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.581 -1.972 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.871 1.366 1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.508 -2.432 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.281 2.044 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.099 -1.756 -1.727 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.804 0.481 -2.219 1.00 0.00 H new ATOM 1120 N SER A 73 -2.704 1.406 2.676 1.00 0.00 N ATOM 1121 CA SER A 73 -3.970 1.699 2.015 1.00 0.00 C ATOM 1122 C SER A 73 -3.766 2.676 0.861 1.00 0.00 C ATOM 1123 O SER A 73 -3.023 3.651 0.981 1.00 0.00 O ATOM 1124 CB SER A 73 -4.970 2.278 3.017 1.00 0.00 C ATOM 1125 OG SER A 73 -6.291 2.228 2.506 1.00 0.00 O ATOM 0 H SER A 73 -2.153 2.230 2.917 1.00 0.00 H new ATOM 0 HA SER A 73 -4.367 0.767 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.917 1.720 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.704 3.310 3.246 1.00 0.00 H new ATOM 0 HG SER A 73 -6.370 1.482 1.875 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.431 2.407 -0.258 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.323 3.261 -1.435 1.00 0.00 C ATOM 1133 C PHE A 74 -5.664 3.364 -2.156 1.00 0.00 C ATOM 1134 O PHE A 74 -6.542 2.521 -1.979 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.258 2.717 -2.390 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.492 1.291 -2.798 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -3.029 0.247 -2.014 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -4.174 0.994 -3.967 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -3.242 -1.067 -2.386 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -4.390 -0.318 -4.345 1.00 0.00 C ATOM 1141 CZ PHE A 74 -3.923 -1.350 -3.554 1.00 0.00 C ATOM 0 H PHE A 74 -5.050 1.605 -0.374 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.030 4.258 -1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.228 3.342 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.281 2.795 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.495 0.463 -1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.541 1.796 -4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.877 -1.871 -1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.924 -0.536 -5.258 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.090 -2.376 -3.848 1.00 0.00 H new ATOM 1151 N GLU A 75 -5.813 4.406 -2.969 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.047 4.620 -3.716 1.00 0.00 C ATOM 1153 C GLU A 75 -6.821 4.412 -5.211 1.00 0.00 C ATOM 1154 O GLU A 75 -6.011 5.102 -5.830 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.584 6.030 -3.462 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.041 6.206 -3.855 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.487 7.655 -3.809 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -9.047 8.438 -4.678 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.274 8.006 -2.906 1.00 0.00 O ATOM 0 H GLU A 75 -5.096 5.114 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.781 3.891 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.470 6.268 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.978 6.746 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.192 5.815 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.668 5.616 -3.187 1.00 0.00 H new ATOM 1166 N SER A 76 -7.544 3.455 -5.785 1.00 0.00 N ATOM 1167 CA SER A 76 -7.420 3.151 -7.206 1.00 0.00 C ATOM 1168 C SER A 76 -8.651 3.626 -7.972 1.00 0.00 C ATOM 1169 O SER A 76 -9.784 3.427 -7.534 1.00 0.00 O ATOM 1170 CB SER A 76 -7.225 1.648 -7.413 1.00 0.00 C ATOM 1171 OG SER A 76 -7.687 1.245 -8.690 1.00 0.00 O ATOM 0 H SER A 76 -8.222 2.877 -5.288 1.00 0.00 H new ATOM 0 HA SER A 76 -6.548 3.679 -7.591 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.169 1.397 -7.309 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.761 1.099 -6.639 1.00 0.00 H new ATOM 0 HG SER A 76 -6.924 1.141 -9.296 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.420 4.257 -9.119 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.518 4.751 -9.929 1.00 0.00 C ATOM 1179 C GLY A 77 -10.458 3.645 -10.368 1.00 0.00 C ATOM 1180 O GLY A 77 -10.491 2.573 -9.764 1.00 0.00 O ATOM 0 H GLY A 77 -7.492 4.435 -9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.077 5.495 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.118 5.255 -10.809 1.00 0.00 H new ATOM 1184 N ARG A 78 -11.224 3.906 -11.423 1.00 0.00 N ATOM 1185 CA ARG A 78 -12.170 2.925 -11.940 1.00 0.00 C ATOM 1186 C ARG A 78 -11.603 2.219 -13.168 1.00 0.00 C ATOM 1187 O ARG A 78 -12.109 1.176 -13.586 1.00 0.00 O ATOM 1188 CB ARG A 78 -13.496 3.602 -12.295 1.00 0.00 C ATOM 1189 CG ARG A 78 -13.560 4.103 -13.728 1.00 0.00 C ATOM 1190 CD ARG A 78 -14.809 4.935 -13.972 1.00 0.00 C ATOM 1191 NE ARG A 78 -15.209 5.683 -12.783 1.00 0.00 N ATOM 1192 CZ ARG A 78 -15.966 5.176 -11.816 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -16.401 3.926 -11.896 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -16.288 5.919 -10.765 1.00 0.00 N ATOM 0 H ARG A 78 -11.208 4.788 -11.936 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.346 2.181 -11.163 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -14.310 2.896 -12.129 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.658 4.441 -11.618 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.675 4.701 -13.945 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.547 3.255 -14.412 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.628 5.629 -14.793 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -15.625 4.282 -14.281 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.890 6.647 -12.690 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.155 3.351 -12.702 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.982 3.540 -11.152 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.954 6.881 -10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.869 5.529 -10.023 1.00 0.00 H new ATOM 1208 N ARG A 79 -10.552 2.793 -13.743 1.00 0.00 N ATOM 1209 CA ARG A 79 -9.918 2.220 -14.924 1.00 0.00 C ATOM 1210 C ARG A 79 -9.033 1.036 -14.545 1.00 0.00 C ATOM 1211 O ARG A 79 -7.821 1.060 -14.759 1.00 0.00 O ATOM 1212 CB ARG A 79 -9.086 3.280 -15.648 1.00 0.00 C ATOM 1213 CG ARG A 79 -9.861 4.547 -15.969 1.00 0.00 C ATOM 1214 CD ARG A 79 -8.928 5.715 -16.249 1.00 0.00 C ATOM 1215 NE ARG A 79 -8.294 5.607 -17.560 1.00 0.00 N ATOM 1216 CZ ARG A 79 -8.931 5.828 -18.705 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -10.213 6.168 -18.700 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -8.286 5.709 -19.858 1.00 0.00 N ATOM 0 H ARG A 79 -10.121 3.655 -13.410 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.704 1.866 -15.591 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.225 3.537 -15.032 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.699 2.856 -16.575 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.500 4.374 -16.835 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.516 4.795 -15.134 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.489 6.648 -16.193 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.160 5.758 -15.477 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.308 5.348 -17.599 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.713 6.260 -17.816 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.699 6.337 -19.581 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.300 5.448 -19.866 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.776 5.879 -20.736 1.00 0.00 H new ATOM 1232 N CYS A 80 -9.648 0.002 -13.981 1.00 0.00 N ATOM 1233 CA CYS A 80 -8.916 -1.192 -13.571 1.00 0.00 C ATOM 1234 C CYS A 80 -9.854 -2.389 -13.447 1.00 0.00 C ATOM 1235 O CYS A 80 -11.058 -2.271 -13.672 1.00 0.00 O ATOM 1236 CB CYS A 80 -8.204 -0.947 -12.240 1.00 0.00 C ATOM 1237 SG CYS A 80 -9.178 0.000 -11.046 1.00 0.00 S ATOM 0 H CYS A 80 -10.651 -0.034 -13.797 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.173 -1.413 -14.337 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -7.942 -1.908 -11.798 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.270 -0.419 -12.432 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.393 0.474 -10.124 1.00 0.00 H new ATOM 1243 N GLN A 81 -9.292 -3.539 -13.091 1.00 0.00 N ATOM 1244 CA GLN A 81 -10.078 -4.758 -12.940 1.00 0.00 C ATOM 1245 C GLN A 81 -11.133 -4.594 -11.851 1.00 0.00 C ATOM 1246 O GLN A 81 -12.333 -4.683 -12.115 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.166 -5.941 -12.610 1.00 0.00 C ATOM 1248 CG GLN A 81 -9.707 -7.279 -13.087 1.00 0.00 C ATOM 1249 CD GLN A 81 -9.199 -8.443 -12.260 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -9.937 -9.021 -11.462 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -7.932 -8.793 -12.446 1.00 0.00 N ATOM 0 H GLN A 81 -8.296 -3.653 -12.902 1.00 0.00 H new ATOM 0 HA GLN A 81 -10.585 -4.953 -13.885 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.188 -5.772 -13.062 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.016 -5.983 -11.531 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.796 -7.260 -13.050 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.426 -7.429 -14.129 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.356 -8.286 -13.118 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.534 -9.569 -11.917 1.00 0.00 H new ATOM 1260 N THR A 82 -10.678 -4.355 -10.625 1.00 0.00 N ATOM 1261 CA THR A 82 -11.582 -4.181 -9.495 1.00 0.00 C ATOM 1262 C THR A 82 -12.422 -2.918 -9.653 1.00 0.00 C ATOM 1263 O THR A 82 -13.564 -2.860 -9.200 1.00 0.00 O ATOM 1264 CB THR A 82 -10.811 -4.108 -8.164 1.00 0.00 C ATOM 1265 OG1 THR A 82 -9.991 -2.934 -8.137 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.943 -5.343 -7.974 1.00 0.00 C ATOM 0 H THR A 82 -9.689 -4.278 -10.389 1.00 0.00 H new ATOM 0 HA THR A 82 -12.238 -5.051 -9.478 1.00 0.00 H new ATOM 0 HB THR A 82 -11.536 -4.063 -7.351 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.659 -2.788 -7.227 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.408 -5.269 -7.027 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.573 -6.233 -7.967 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.226 -5.413 -8.792 1.00 0.00 H new ATOM 1274 N GLY A 83 -11.847 -1.908 -10.299 1.00 0.00 N ATOM 1275 CA GLY A 83 -12.558 -0.659 -10.505 1.00 0.00 C ATOM 1276 C GLY A 83 -12.307 0.341 -9.393 1.00 0.00 C ATOM 1277 O GLY A 83 -11.267 0.299 -8.736 1.00 0.00 O ATOM 0 H GLY A 83 -10.902 -1.932 -10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.253 -0.224 -11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.627 -0.860 -10.574 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.261 1.243 -9.185 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.136 2.259 -8.147 1.00 0.00 C ATOM 1283 C GLN A 84 -13.358 1.655 -6.764 1.00 0.00 C ATOM 1284 O GLN A 84 -14.335 0.944 -6.535 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.137 3.390 -8.388 1.00 0.00 C ATOM 1286 CG GLN A 84 -13.748 4.700 -7.721 1.00 0.00 C ATOM 1287 CD GLN A 84 -14.864 5.725 -7.752 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -15.946 5.498 -7.209 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -14.607 6.861 -8.389 1.00 0.00 N ATOM 0 H GLN A 84 -14.128 1.291 -9.721 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.124 2.663 -8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.236 3.554 -9.461 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.116 3.082 -8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.466 4.507 -6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.869 5.110 -8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.696 7.007 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.320 7.588 -8.443 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.442 1.944 -5.844 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.556 1.420 -4.495 1.00 0.00 C ATOM 1300 C GLY A 85 -11.261 1.539 -3.716 1.00 0.00 C ATOM 1301 O GLY A 85 -10.174 1.469 -4.291 1.00 0.00 O ATOM 0 H GLY A 85 -11.624 2.531 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.345 1.955 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.855 0.373 -4.539 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.375 1.721 -2.405 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.204 1.851 -1.547 1.00 0.00 C ATOM 1307 C ILE A 86 -9.891 0.535 -0.842 1.00 0.00 C ATOM 1308 O ILE A 86 -10.736 -0.023 -0.142 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.401 2.953 -0.489 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.354 4.334 -1.145 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.341 2.839 0.597 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -10.993 5.421 -0.310 1.00 0.00 C ATOM 0 H ILE A 86 -12.267 1.782 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.368 2.123 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.380 2.824 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.315 4.600 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.857 4.286 -2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.493 3.624 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.418 1.865 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.352 2.946 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.923 6.373 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.041 5.178 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.476 5.497 0.646 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.670 0.046 -1.031 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.243 -1.204 -0.412 1.00 0.00 C ATOM 1326 C PHE A 87 -7.212 -0.946 0.682 1.00 0.00 C ATOM 1327 O PHE A 87 -6.414 -0.013 0.590 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.659 -2.146 -1.467 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.511 -2.270 -2.698 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -9.655 -3.051 -2.689 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.167 -1.605 -3.864 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.440 -3.167 -3.820 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -8.949 -1.717 -4.999 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.088 -2.498 -4.976 1.00 0.00 C ATOM 0 H PHE A 87 -7.959 0.496 -1.608 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.117 -1.673 0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.670 -1.789 -1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.525 -3.134 -1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.936 -3.575 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.278 -0.992 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.329 -3.781 -3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.670 -1.195 -5.902 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.702 -2.585 -5.860 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.236 -1.778 1.718 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.302 -1.641 2.829 1.00 0.00 C ATOM 1346 C ALA A 88 -5.833 -3.005 3.323 1.00 0.00 C ATOM 1347 O ALA A 88 -6.645 -3.882 3.622 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.946 -0.859 3.965 1.00 0.00 C ATOM 0 H ALA A 88 -7.892 -2.554 1.811 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.429 -1.093 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.238 -0.764 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.226 0.133 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.836 -1.385 4.311 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.519 -3.179 3.407 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.941 -4.438 3.863 1.00 0.00 C ATOM 1356 C PHE A 89 -3.034 -4.215 5.069 1.00 0.00 C ATOM 1357 O PHE A 89 -2.565 -3.103 5.311 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.152 -5.101 2.732 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.843 -5.037 1.400 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -3.959 -3.834 0.723 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.378 -6.179 0.827 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.594 -3.772 -0.504 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -5.014 -6.123 -0.399 1.00 0.00 C ATOM 1364 CZ PHE A 89 -5.123 -4.917 -1.064 1.00 0.00 C ATOM 0 H PHE A 89 -3.833 -2.464 3.165 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.757 -5.096 4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.177 -4.620 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.972 -6.145 2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.549 -2.935 1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.297 -7.124 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.676 -2.829 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.425 -7.021 -0.836 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.622 -4.870 -2.021 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.791 -5.281 5.824 1.00 0.00 N ATOM 1375 CA LYS A 90 -1.940 -5.204 7.006 1.00 0.00 C ATOM 1376 C LYS A 90 -0.519 -5.656 6.683 1.00 0.00 C ATOM 1377 O LYS A 90 -0.317 -6.607 5.927 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.516 -6.065 8.132 1.00 0.00 C ATOM 1379 CG LYS A 90 -3.587 -5.361 8.947 1.00 0.00 C ATOM 1380 CD LYS A 90 -4.202 -6.290 9.980 1.00 0.00 C ATOM 1381 CE LYS A 90 -5.388 -5.642 10.678 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.961 -4.793 11.825 1.00 0.00 N ATOM 0 H LYS A 90 -3.171 -6.209 5.638 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.907 -4.164 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.936 -6.975 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.707 -6.369 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.154 -4.495 9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.366 -4.989 8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.523 -7.212 9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.449 -6.563 10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.942 -5.034 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.068 -6.416 11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.798 -4.369 12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.454 -5.378 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.332 -4.038 11.483 1.00 0.00 H new ATOM 1396 N CYS A 91 0.461 -4.970 7.261 1.00 0.00 N ATOM 1397 CA CYS A 91 1.863 -5.302 7.035 1.00 0.00 C ATOM 1398 C CYS A 91 2.771 -4.468 7.933 1.00 0.00 C ATOM 1399 O CYS A 91 2.395 -3.383 8.376 1.00 0.00 O ATOM 1400 CB CYS A 91 2.232 -5.079 5.568 1.00 0.00 C ATOM 1401 SG CYS A 91 1.472 -3.612 4.831 1.00 0.00 S ATOM 0 H CYS A 91 0.310 -4.181 7.889 1.00 0.00 H new ATOM 0 HA CYS A 91 2.006 -6.354 7.282 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.316 -4.994 5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.936 -5.956 4.993 1.00 0.00 H new ATOM 0 HG CYS A 91 1.845 -3.507 3.590 1.00 0.00 H new ATOM 1407 N SER A 92 3.967 -4.983 8.198 1.00 0.00 N ATOM 1408 CA SER A 92 4.927 -4.287 9.048 1.00 0.00 C ATOM 1409 C SER A 92 6.016 -3.626 8.209 1.00 0.00 C ATOM 1410 O SER A 92 7.029 -3.167 8.737 1.00 0.00 O ATOM 1411 CB SER A 92 5.557 -5.262 10.045 1.00 0.00 C ATOM 1412 OG SER A 92 6.017 -4.583 11.200 1.00 0.00 O ATOM 0 H SER A 92 4.295 -5.879 7.837 1.00 0.00 H new ATOM 0 HA SER A 92 4.394 -3.511 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.826 -6.018 10.331 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.388 -5.785 9.572 1.00 0.00 H new ATOM 0 HG SER A 92 6.532 -3.793 10.932 1.00 0.00 H new ATOM 1418 N ARG A 93 5.800 -3.581 6.898 1.00 0.00 N ATOM 1419 CA ARG A 93 6.762 -2.978 5.985 1.00 0.00 C ATOM 1420 C ARG A 93 6.075 -1.991 5.045 1.00 0.00 C ATOM 1421 O ARG A 93 6.600 -1.663 3.981 1.00 0.00 O ATOM 1422 CB ARG A 93 7.475 -4.060 5.172 1.00 0.00 C ATOM 1423 CG ARG A 93 7.647 -5.371 5.923 1.00 0.00 C ATOM 1424 CD ARG A 93 8.556 -6.329 5.169 1.00 0.00 C ATOM 1425 NE ARG A 93 9.791 -5.682 4.733 1.00 0.00 N ATOM 1426 CZ ARG A 93 10.809 -5.419 5.544 1.00 0.00 C ATOM 1427 NH1 ARG A 93 10.740 -5.745 6.827 1.00 0.00 N ATOM 1428 NH2 ARG A 93 11.899 -4.828 5.072 1.00 0.00 N ATOM 0 H ARG A 93 4.966 -3.955 6.445 1.00 0.00 H new ATOM 0 HA ARG A 93 7.498 -2.436 6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.912 -4.246 4.257 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.456 -3.691 4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.063 -5.174 6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.673 -5.835 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.798 -7.178 5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.027 -6.723 4.301 1.00 0.00 H new ATOM 0 HE ARG A 93 9.876 -5.418 3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.903 -6.199 7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.523 -5.542 7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.955 -4.575 4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.680 -4.626 5.696 1.00 0.00 H new ATOM 1442 N ALA A 94 4.898 -1.522 5.446 1.00 0.00 N ATOM 1443 CA ALA A 94 4.140 -0.572 4.641 1.00 0.00 C ATOM 1444 C ALA A 94 5.006 0.615 4.233 1.00 0.00 C ATOM 1445 O ALA A 94 4.785 1.225 3.187 1.00 0.00 O ATOM 1446 CB ALA A 94 2.913 -0.095 5.404 1.00 0.00 C ATOM 0 H ALA A 94 4.449 -1.784 6.323 1.00 0.00 H new ATOM 0 HA ALA A 94 3.815 -1.080 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.356 0.614 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.277 -0.948 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.226 0.391 6.328 1.00 0.00 H new ATOM 1452 N GLU A 95 5.991 0.938 5.065 1.00 0.00 N ATOM 1453 CA GLU A 95 6.888 2.054 4.790 1.00 0.00 C ATOM 1454 C GLU A 95 7.671 1.818 3.502 1.00 0.00 C ATOM 1455 O GLU A 95 7.804 2.716 2.671 1.00 0.00 O ATOM 1456 CB GLU A 95 7.856 2.259 5.958 1.00 0.00 C ATOM 1457 CG GLU A 95 8.537 3.617 5.952 1.00 0.00 C ATOM 1458 CD GLU A 95 9.254 3.916 7.254 1.00 0.00 C ATOM 1459 OE1 GLU A 95 8.857 3.349 8.294 1.00 0.00 O ATOM 1460 OE2 GLU A 95 10.211 4.718 7.234 1.00 0.00 O ATOM 0 H GLU A 95 6.188 0.443 5.935 1.00 0.00 H new ATOM 0 HA GLU A 95 6.282 2.952 4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.312 2.139 6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.618 1.480 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.252 3.657 5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.793 4.391 5.765 1.00 0.00 H new ATOM 1467 N GLU A 96 8.187 0.603 3.344 1.00 0.00 N ATOM 1468 CA GLU A 96 8.958 0.249 2.158 1.00 0.00 C ATOM 1469 C GLU A 96 8.088 0.310 0.906 1.00 0.00 C ATOM 1470 O GLU A 96 8.529 0.773 -0.147 1.00 0.00 O ATOM 1471 CB GLU A 96 9.555 -1.152 2.310 1.00 0.00 C ATOM 1472 CG GLU A 96 10.918 -1.163 2.980 1.00 0.00 C ATOM 1473 CD GLU A 96 12.056 -0.994 1.992 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.953 -0.111 1.115 1.00 0.00 O ATOM 1475 OE2 GLU A 96 13.048 -1.746 2.094 1.00 0.00 O ATOM 0 H GLU A 96 8.085 -0.152 4.022 1.00 0.00 H new ATOM 0 HA GLU A 96 9.767 0.971 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.869 -1.769 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.640 -1.610 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.962 -0.363 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.046 -2.102 3.519 1.00 0.00 H new ATOM 1482 N ILE A 97 6.852 -0.160 1.028 1.00 0.00 N ATOM 1483 CA ILE A 97 5.920 -0.158 -0.093 1.00 0.00 C ATOM 1484 C ILE A 97 5.527 1.264 -0.479 1.00 0.00 C ATOM 1485 O ILE A 97 5.476 1.607 -1.660 1.00 0.00 O ATOM 1486 CB ILE A 97 4.646 -0.961 0.232 1.00 0.00 C ATOM 1487 CG1 ILE A 97 5.005 -2.403 0.597 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.686 -0.930 -0.947 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.814 -3.234 1.018 1.00 0.00 C ATOM 0 H ILE A 97 6.472 -0.547 1.892 1.00 0.00 H new ATOM 0 HA ILE A 97 6.433 -0.630 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 97 4.153 -0.502 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.484 -2.877 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.735 -2.393 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.791 -1.502 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.410 0.102 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.169 -1.368 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.143 -4.244 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.347 -2.783 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.092 -3.275 0.202 1.00 0.00 H new ATOM 1501 N PHE A 98 5.250 2.088 0.526 1.00 0.00 N ATOM 1502 CA PHE A 98 4.862 3.475 0.292 1.00 0.00 C ATOM 1503 C PHE A 98 5.953 4.224 -0.468 1.00 0.00 C ATOM 1504 O PHE A 98 5.694 4.836 -1.503 1.00 0.00 O ATOM 1505 CB PHE A 98 4.576 4.177 1.621 1.00 0.00 C ATOM 1506 CG PHE A 98 4.263 5.638 1.472 1.00 0.00 C ATOM 1507 CD1 PHE A 98 3.033 6.051 0.986 1.00 0.00 C ATOM 1508 CD2 PHE A 98 5.200 6.600 1.816 1.00 0.00 C ATOM 1509 CE1 PHE A 98 2.742 7.395 0.847 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.914 7.945 1.680 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.685 8.343 1.194 1.00 0.00 C ATOM 0 H PHE A 98 5.287 1.820 1.510 1.00 0.00 H new ATOM 0 HA PHE A 98 3.956 3.476 -0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.737 3.682 2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.440 4.064 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.293 5.314 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.164 6.295 2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.779 7.704 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.652 8.685 1.954 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.461 9.394 1.085 1.00 0.00 H new ATOM 1521 N ASN A 99 7.174 4.171 0.056 1.00 0.00 N ATOM 1522 CA ASN A 99 8.304 4.845 -0.572 1.00 0.00 C ATOM 1523 C ASN A 99 8.578 4.271 -1.959 1.00 0.00 C ATOM 1524 O ASN A 99 8.782 5.013 -2.921 1.00 0.00 O ATOM 1525 CB ASN A 99 9.553 4.714 0.302 1.00 0.00 C ATOM 1526 CG ASN A 99 9.370 5.344 1.670 1.00 0.00 C ATOM 1527 OD1 ASN A 99 8.598 6.289 1.831 1.00 0.00 O ATOM 1528 ND2 ASN A 99 10.081 4.822 2.662 1.00 0.00 N ATOM 0 H ASN A 99 7.405 3.669 0.913 1.00 0.00 H new ATOM 0 HA ASN A 99 8.052 5.900 -0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.801 3.659 0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.397 5.185 -0.202 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.999 5.204 3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.709 4.038 2.482 1.00 0.00 H new ATOM 1535 N LEU A 100 8.582 2.946 -2.055 1.00 0.00 N ATOM 1536 CA LEU A 100 8.830 2.272 -3.324 1.00 0.00 C ATOM 1537 C LEU A 100 7.784 2.664 -4.363 1.00 0.00 C ATOM 1538 O LEU A 100 8.113 3.223 -5.410 1.00 0.00 O ATOM 1539 CB LEU A 100 8.826 0.755 -3.127 1.00 0.00 C ATOM 1540 CG LEU A 100 8.840 -0.088 -4.403 1.00 0.00 C ATOM 1541 CD1 LEU A 100 9.909 0.413 -5.361 1.00 0.00 C ATOM 1542 CD2 LEU A 100 9.064 -1.556 -4.070 1.00 0.00 C ATOM 0 H LEU A 100 8.416 2.317 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 100 9.810 2.583 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.695 0.484 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.943 0.486 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 100 7.870 0.009 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.905 -0.199 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.704 1.451 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.886 0.347 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.071 -2.141 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.020 -1.671 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.262 -1.909 -3.422 1.00 0.00 H new ATOM 1554 N LEU A 101 6.524 2.369 -4.066 1.00 0.00 N ATOM 1555 CA LEU A 101 5.428 2.693 -4.974 1.00 0.00 C ATOM 1556 C LEU A 101 5.601 4.091 -5.559 1.00 0.00 C ATOM 1557 O LEU A 101 5.495 4.284 -6.770 1.00 0.00 O ATOM 1558 CB LEU A 101 4.088 2.597 -4.242 1.00 0.00 C ATOM 1559 CG LEU A 101 2.840 2.825 -5.095 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.675 1.705 -6.110 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.604 2.934 -4.213 1.00 0.00 C ATOM 0 H LEU A 101 6.235 1.906 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 101 5.441 1.972 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.016 1.610 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.087 3.325 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 101 2.960 3.763 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.781 1.885 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.548 1.674 -6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.577 0.753 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.725 3.096 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.480 2.012 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.720 3.772 -3.525 1.00 0.00 H new ATOM 1573 N GLN A 102 5.871 5.061 -4.692 1.00 0.00 N ATOM 1574 CA GLN A 102 6.061 6.441 -5.124 1.00 0.00 C ATOM 1575 C GLN A 102 7.386 6.603 -5.861 1.00 0.00 C ATOM 1576 O GLN A 102 7.515 7.446 -6.749 1.00 0.00 O ATOM 1577 CB GLN A 102 6.014 7.385 -3.922 1.00 0.00 C ATOM 1578 CG GLN A 102 7.224 7.270 -3.010 1.00 0.00 C ATOM 1579 CD GLN A 102 7.503 8.549 -2.245 1.00 0.00 C ATOM 1580 OE1 GLN A 102 6.606 9.125 -1.629 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.751 9.001 -2.281 1.00 0.00 N ATOM 0 H GLN A 102 5.963 4.917 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 102 5.252 6.695 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.936 8.412 -4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.113 7.179 -3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.065 6.456 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.099 7.009 -3.605 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.463 8.491 -2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.998 9.858 -1.785 1.00 0.00 H new ATOM 1590 N ASP A 103 8.368 5.790 -5.488 1.00 0.00 N ATOM 1591 CA ASP A 103 9.684 5.843 -6.114 1.00 0.00 C ATOM 1592 C ASP A 103 9.614 5.381 -7.566 1.00 0.00 C ATOM 1593 O ASP A 103 10.498 5.684 -8.369 1.00 0.00 O ATOM 1594 CB ASP A 103 10.677 4.976 -5.338 1.00 0.00 C ATOM 1595 CG ASP A 103 11.379 5.744 -4.236 1.00 0.00 C ATOM 1596 OD1 ASP A 103 12.155 6.669 -4.558 1.00 0.00 O ATOM 1597 OD2 ASP A 103 11.152 5.422 -3.051 1.00 0.00 O ATOM 0 H ASP A 103 8.278 5.086 -4.755 1.00 0.00 H new ATOM 0 HA ASP A 103 10.026 6.878 -6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.151 4.125 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.420 4.575 -6.027 1.00 0.00 H new ATOM 1602 N LEU A 104 8.558 4.647 -7.898 1.00 0.00 N ATOM 1603 CA LEU A 104 8.372 4.142 -9.254 1.00 0.00 C ATOM 1604 C LEU A 104 7.650 5.168 -10.122 1.00 0.00 C ATOM 1605 O LEU A 104 8.146 5.560 -11.178 1.00 0.00 O ATOM 1606 CB LEU A 104 7.582 2.833 -9.228 1.00 0.00 C ATOM 1607 CG LEU A 104 8.210 1.685 -8.436 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.196 0.574 -8.211 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.439 1.150 -9.158 1.00 0.00 C ATOM 0 H LEU A 104 7.817 4.388 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 104 9.356 3.956 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.595 3.036 -8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.434 2.501 -10.256 1.00 0.00 H new ATOM 0 HG LEU A 104 8.521 2.067 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.661 -0.234 -7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.346 0.965 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.854 0.193 -9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.873 0.334 -8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.151 0.784 -10.144 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.173 1.948 -9.267 1.00 0.00 H new ATOM 1621 N MET A 105 6.478 5.599 -9.669 1.00 0.00 N ATOM 1622 CA MET A 105 5.690 6.582 -10.403 1.00 0.00 C ATOM 1623 C MET A 105 6.515 7.832 -10.695 1.00 0.00 C ATOM 1624 O MET A 105 6.224 8.572 -11.634 1.00 0.00 O ATOM 1625 CB MET A 105 4.436 6.958 -9.611 1.00 0.00 C ATOM 1626 CG MET A 105 4.690 7.138 -8.123 1.00 0.00 C ATOM 1627 SD MET A 105 3.358 8.028 -7.294 1.00 0.00 S ATOM 1628 CE MET A 105 1.922 7.265 -8.044 1.00 0.00 C ATOM 0 H MET A 105 6.053 5.283 -8.797 1.00 0.00 H new ATOM 0 HA MET A 105 5.391 6.135 -11.351 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.024 7.882 -10.016 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.681 6.184 -9.752 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.812 6.160 -7.658 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.626 7.678 -7.981 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.043 7.462 -7.430 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.769 7.679 -9.041 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.079 6.189 -8.118 1.00 0.00 H new ATOM 1638 N GLN A 106 7.543 8.059 -9.885 1.00 0.00 N ATOM 1639 CA GLN A 106 8.409 9.220 -10.056 1.00 0.00 C ATOM 1640 C GLN A 106 9.546 8.913 -11.024 1.00 0.00 C ATOM 1641 O GLN A 106 9.820 9.687 -11.942 1.00 0.00 O ATOM 1642 CB GLN A 106 8.977 9.663 -8.707 1.00 0.00 C ATOM 1643 CG GLN A 106 9.995 8.695 -8.128 1.00 0.00 C ATOM 1644 CD GLN A 106 10.528 9.144 -6.782 1.00 0.00 C ATOM 1645 OE1 GLN A 106 9.783 9.657 -5.946 1.00 0.00 O ATOM 1646 NE2 GLN A 106 11.823 8.952 -6.563 1.00 0.00 N ATOM 0 H GLN A 106 7.797 7.455 -9.104 1.00 0.00 H new ATOM 0 HA GLN A 106 7.810 10.030 -10.473 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.443 10.642 -8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.157 9.782 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.537 7.712 -8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.826 8.587 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.404 8.523 -7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.237 9.233 -5.674 1.00 0.00 H new ATOM 2022 N PHE A 136 -12.435 -6.102 0.024 1.00 0.00 N ATOM 2023 CA PHE A 136 -13.273 -5.160 0.757 1.00 0.00 C ATOM 2024 C PHE A 136 -12.949 -3.722 0.361 1.00 0.00 C ATOM 2025 O PHE A 136 -11.817 -3.264 0.517 1.00 0.00 O ATOM 2026 CB PHE A 136 -13.082 -5.341 2.264 1.00 0.00 C ATOM 2027 CG PHE A 136 -14.062 -4.558 3.091 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -14.064 -3.173 3.060 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -14.981 -5.208 3.898 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -14.964 -2.450 3.819 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -15.885 -4.490 4.659 1.00 0.00 C ATOM 2032 CZ PHE A 136 -15.875 -3.110 4.621 1.00 0.00 C ATOM 0 HA PHE A 136 -14.313 -5.363 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -13.175 -6.399 2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -12.070 -5.039 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -13.354 -2.652 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -14.992 -6.287 3.933 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -14.955 -1.371 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -16.598 -5.008 5.283 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.578 -2.547 5.217 1.00 0.00 H new ATOM 2042 N ARG A 137 -13.951 -3.016 -0.153 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.774 -1.632 -0.573 1.00 0.00 C ATOM 2044 C ARG A 137 -14.242 -0.669 0.514 1.00 0.00 C ATOM 2045 O ARG A 137 -15.388 -0.730 0.961 1.00 0.00 O ATOM 2046 CB ARG A 137 -14.543 -1.367 -1.869 1.00 0.00 C ATOM 2047 CG ARG A 137 -13.941 -2.052 -3.085 1.00 0.00 C ATOM 2048 CD ARG A 137 -14.951 -2.167 -4.216 1.00 0.00 C ATOM 2049 NE ARG A 137 -14.671 -3.306 -5.086 1.00 0.00 N ATOM 2050 CZ ARG A 137 -14.761 -4.571 -4.691 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -15.122 -4.858 -3.448 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -14.490 -5.554 -5.542 1.00 0.00 N ATOM 0 H ARG A 137 -14.894 -3.380 -0.288 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.711 -1.466 -0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.573 -1.703 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -14.578 -0.292 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -13.072 -1.490 -3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.589 -3.046 -2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -15.953 -2.267 -3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.942 -1.250 -4.805 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.391 -3.120 -6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -15.332 -4.106 -2.791 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -15.190 -5.831 -3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.213 -5.338 -6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.559 -6.525 -5.238 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.348 0.218 0.937 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.669 1.194 1.972 1.00 0.00 C ATOM 2068 C LEU A 138 -14.206 2.483 1.359 1.00 0.00 C ATOM 2069 O LEU A 138 -13.872 2.829 0.226 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.430 1.496 2.818 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.771 0.294 3.495 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -10.314 0.594 3.815 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -12.528 -0.088 4.759 1.00 0.00 C ATOM 0 H LEU A 138 -12.395 0.281 0.579 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.443 0.768 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.689 1.981 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.707 2.215 3.589 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.805 -0.550 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.861 -0.273 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.778 0.818 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.258 1.452 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -12.045 -0.945 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -12.526 0.753 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -13.556 -0.346 4.504 1.00 0.00 H new ATOM 2085 N ARG A 139 -15.039 3.190 2.116 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.621 4.442 1.647 1.00 0.00 C ATOM 2087 C ARG A 139 -14.703 5.620 1.959 1.00 0.00 C ATOM 2088 O ARG A 139 -14.523 6.516 1.134 1.00 0.00 O ATOM 2089 CB ARG A 139 -16.991 4.664 2.291 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.033 3.638 1.876 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.444 4.131 2.158 1.00 0.00 C ATOM 2092 NE ARG A 139 -20.452 3.133 1.813 1.00 0.00 N ATOM 2093 CZ ARG A 139 -20.719 2.069 2.562 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -20.057 1.867 3.693 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -21.651 1.205 2.181 1.00 0.00 N ATOM 0 H ARG A 139 -15.326 2.917 3.056 1.00 0.00 H new ATOM 0 HA ARG A 139 -15.741 4.375 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.881 4.640 3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.349 5.660 2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -17.928 3.421 0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -17.859 2.704 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -19.534 4.387 3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -19.629 5.044 1.592 1.00 0.00 H new ATOM 0 HE ARG A 139 -20.980 3.260 0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -19.341 2.530 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -20.264 1.049 4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -22.163 1.357 1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -21.855 0.388 2.757 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.126 5.612 3.156 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.226 6.680 3.578 1.00 0.00 C ATOM 2111 C HIS A 140 -11.781 6.191 3.611 1.00 0.00 C ATOM 2112 O HIS A 140 -11.501 5.029 3.318 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.632 7.203 4.956 1.00 0.00 C ATOM 2114 CG HIS A 140 -14.898 8.002 4.944 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -15.102 9.101 5.752 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -16.030 7.858 4.215 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -16.305 9.597 5.522 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -16.888 8.861 4.593 1.00 0.00 N ATOM 0 H HIS A 140 -14.265 4.878 3.851 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.300 7.492 2.854 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -13.751 6.359 5.635 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -12.826 7.820 5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -16.222 7.096 3.474 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -16.738 10.458 6.010 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -17.824 9.013 4.217 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.867 7.087 3.970 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.450 6.747 4.040 1.00 0.00 C ATOM 2129 C PHE A 141 -8.988 6.638 5.490 1.00 0.00 C ATOM 2130 O PHE A 141 -9.079 7.586 6.270 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.616 7.798 3.305 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.353 7.248 2.705 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.394 6.158 1.850 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.126 7.820 2.996 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.234 5.650 1.297 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -4.962 7.316 2.446 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.016 6.230 1.595 1.00 0.00 C ATOM 0 H PHE A 141 -11.082 8.053 4.217 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.309 5.779 3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.221 8.243 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.361 8.598 3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.343 5.701 1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.078 8.670 3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.279 4.800 0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.011 7.771 2.682 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.108 5.835 1.163 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.481 5.453 5.861 1.00 0.00 N ATOM 2148 CA PRO A 142 -7.994 5.191 7.219 1.00 0.00 C ATOM 2149 C PRO A 142 -6.709 5.950 7.531 1.00 0.00 C ATOM 2150 O PRO A 142 -6.612 6.631 8.552 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.737 3.682 7.218 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.487 3.341 5.790 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.342 4.279 4.984 1.00 0.00 C ATOM 0 HA PRO A 142 -8.706 5.516 7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -6.881 3.426 7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.593 3.134 7.612 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.433 3.461 5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.747 2.303 5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -7.870 4.539 4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.310 3.837 4.747 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.726 5.828 6.646 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.445 6.502 6.828 1.00 0.00 C ATOM 2163 C CYS A 143 -4.629 8.016 6.867 1.00 0.00 C ATOM 2164 O CYS A 143 -5.735 8.522 6.680 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.481 6.122 5.703 1.00 0.00 C ATOM 2166 SG CYS A 143 -3.391 4.346 5.377 1.00 0.00 S ATOM 0 H CYS A 143 -5.791 5.269 5.795 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.025 6.180 7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -3.786 6.633 4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.485 6.485 5.955 1.00 0.00 H new ATOM 0 HG CYS A 143 -2.552 4.125 4.409 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.537 8.734 7.113 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.600 10.182 7.174 1.00 0.00 C ATOM 2174 C GLY A 144 -2.653 10.845 6.193 1.00 0.00 C ATOM 2175 O GLY A 144 -2.974 11.883 5.616 1.00 0.00 O ATOM 0 H GLY A 144 -2.610 8.338 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.619 10.507 6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.360 10.511 8.185 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.483 10.245 6.004 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.485 10.785 5.088 1.00 0.00 C ATOM 2181 C ASN A 145 -0.797 10.386 3.648 1.00 0.00 C ATOM 2182 O ASN A 145 -0.441 9.295 3.205 1.00 0.00 O ATOM 2183 CB ASN A 145 0.912 10.295 5.474 1.00 0.00 C ATOM 2184 CG ASN A 145 1.114 10.250 6.976 1.00 0.00 C ATOM 2185 OD1 ASN A 145 1.117 11.284 7.645 1.00 0.00 O ATOM 2186 ND2 ASN A 145 1.284 9.048 7.514 1.00 0.00 N ATOM 0 H ASN A 145 -1.202 9.384 6.473 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.513 11.872 5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 145 1.073 9.300 5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.660 10.951 5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 145 1.424 8.955 8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 145 1.274 8.218 6.921 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.463 11.279 2.923 1.00 0.00 N ATOM 2194 CA VAL A 146 -1.821 11.022 1.534 1.00 0.00 C ATOM 2195 C VAL A 146 -0.853 11.713 0.580 1.00 0.00 C ATOM 2196 O VAL A 146 -0.598 12.911 0.698 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.254 11.496 1.226 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.490 11.544 -0.276 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.271 10.590 1.905 1.00 0.00 C ATOM 0 H VAL A 146 -1.765 12.187 3.275 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.764 9.943 1.387 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.378 12.504 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.508 11.881 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -2.783 12.236 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.349 10.549 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.278 10.939 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.149 9.570 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.115 10.612 2.984 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.317 10.950 -0.367 1.00 0.00 N ATOM 2210 CA ASN A 147 0.623 11.489 -1.342 1.00 0.00 C ATOM 2211 C ASN A 147 0.035 11.441 -2.749 1.00 0.00 C ATOM 2212 O ASN A 147 -0.611 10.465 -3.130 1.00 0.00 O ATOM 2213 CB ASN A 147 1.938 10.707 -1.300 1.00 0.00 C ATOM 2214 CG ASN A 147 3.021 11.352 -2.144 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.897 12.505 -2.558 1.00 0.00 O ATOM 2216 ND2 ASN A 147 4.091 10.608 -2.402 1.00 0.00 N ATOM 0 H ASN A 147 -0.518 9.956 -0.480 1.00 0.00 H new ATOM 0 HA ASN A 147 0.818 12.530 -1.084 1.00 0.00 H new ATOM 0 HB2 ASN A 147 2.281 10.633 -0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.764 9.690 -1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.853 10.988 -2.964 1.00 0.00 H new ATOM 0 HD22 ASN A 147 4.151 9.657 -2.038 1.00 0.00 H new ATOM 2223 N TYR A 148 0.265 12.501 -3.517 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.244 12.581 -4.881 1.00 0.00 C ATOM 2225 C TYR A 148 0.798 12.088 -5.880 1.00 0.00 C ATOM 2226 O TYR A 148 1.943 12.539 -5.875 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.646 14.018 -5.214 1.00 0.00 C ATOM 2228 CG TYR A 148 -1.642 14.609 -4.242 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.648 13.828 -3.687 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -1.576 15.948 -3.877 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.561 14.364 -2.799 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -2.483 16.492 -2.988 1.00 0.00 C ATOM 2233 CZ TYR A 148 -3.474 15.696 -2.452 1.00 0.00 C ATOM 2234 OH TYR A 148 -4.380 16.234 -1.567 1.00 0.00 O ATOM 0 H TYR A 148 0.800 13.316 -3.218 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.122 11.940 -4.953 1.00 0.00 H new ATOM 0 HB2 TYR A 148 0.248 14.642 -5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -1.071 14.044 -6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -2.718 12.784 -3.954 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -0.802 16.574 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.339 13.743 -2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -2.417 17.535 -2.714 1.00 0.00 H new ATOM 0 HH TYR A 148 -4.178 17.183 -1.429 1.00 0.00 H new ATOM 2244 N GLY A 149 0.392 11.158 -6.739 1.00 0.00 N ATOM 2245 CA GLY A 149 1.301 10.618 -7.734 1.00 0.00 C ATOM 2246 C GLY A 149 1.199 11.339 -9.064 1.00 0.00 C ATOM 2247 O GLY A 149 1.935 12.291 -9.320 1.00 0.00 O ATOM 0 H GLY A 149 -0.550 10.769 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.324 10.688 -7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.087 9.559 -7.881 1.00 0.00 H new