USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot 80:sc= 0.803 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -4.11! C(o=-3.3!,f=-16!) USER MOD Set 2.1: A 44 CYS SG : rot 40:sc= -3.33! USER MOD Set 2.2: A 118 MET CE :methyl -149:sc= -0.032 (180deg=-0.907) USER MOD Set 3.1: A 22 THR OG1 : rot -120:sc= -0.448 USER MOD Set 3.2: A 25 ASN : amide:sc= -0.473 X(o=-0.92,f=-0.71) USER MOD Single : A 28 ASN : amide:sc= -0.033 X(o=-0.033,f=-0.17) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 CYS SG : rot -170:sc= -2.69 USER MOD Single : A 52 SER OG : rot 53:sc= 0.259 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -112:sc= 0.857 (180deg=-1.32!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -37:sc= 0.108 USER MOD Single : A 72 ASN : amide:sc= -0.35 K(o=-0.35,f=-3!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 75 ASN : amide:sc= -4.15! C(o=-4.1!,f=-3.6!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.8!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -137:sc= 1.11 USER MOD Single : A 99 HIS : no HD1:sc= -0.0505 X(o=-0.05,f=-0.047) USER MOD Single : A 102 HIS : no HD1:sc=-0.00266 X(o=-0.0027,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -175:sc= -1.47! 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 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -151:sc= -0.107 USER MOD Single : A 126 HIS : no HD1:sc= -0.548 K(o=-0.55,f=-4.6!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 1.052 8.973 6.354 1.00 0.00 N ATOM 259 CA PRO A 21 1.017 7.958 5.315 1.00 0.00 C ATOM 260 C PRO A 21 0.286 6.704 5.797 1.00 0.00 C ATOM 261 O PRO A 21 0.853 5.613 5.801 1.00 0.00 O ATOM 262 CB PRO A 21 2.474 7.700 4.969 1.00 0.00 C ATOM 263 CG PRO A 21 3.282 8.232 6.141 1.00 0.00 C ATOM 264 CD PRO A 21 2.362 9.098 6.986 1.00 0.00 C ATOM 0 HA PRO A 21 0.462 8.278 4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.657 6.636 4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.751 8.204 4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.682 7.409 6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.133 8.813 5.786 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.337 8.756 8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.697 10.135 7.001 1.00 0.00 H new ATOM 272 N THR A 22 -0.964 6.901 6.193 1.00 0.00 N ATOM 273 CA THR A 22 -1.778 5.800 6.676 1.00 0.00 C ATOM 274 C THR A 22 -2.855 5.442 5.649 1.00 0.00 C ATOM 275 O THR A 22 -3.267 6.287 4.857 1.00 0.00 O ATOM 276 CB THR A 22 -2.348 6.196 8.040 1.00 0.00 C ATOM 277 OG1 THR A 22 -2.878 7.501 7.829 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.256 6.402 9.092 1.00 0.00 C ATOM 0 H THR A 22 -1.432 7.807 6.189 1.00 0.00 H new ATOM 0 HA THR A 22 -1.183 4.896 6.806 1.00 0.00 H new ATOM 0 HB THR A 22 -3.041 5.427 8.382 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.430 8.136 8.425 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.713 6.682 10.041 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.694 5.477 9.219 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.582 7.195 8.767 1.00 0.00 H new ATOM 286 N LEU A 23 -3.279 4.188 5.697 1.00 0.00 N ATOM 287 CA LEU A 23 -4.299 3.707 4.781 1.00 0.00 C ATOM 288 C LEU A 23 -5.474 4.687 4.774 1.00 0.00 C ATOM 289 O LEU A 23 -5.843 5.213 3.725 1.00 0.00 O ATOM 290 CB LEU A 23 -4.698 2.271 5.127 1.00 0.00 C ATOM 291 CG LEU A 23 -4.883 1.322 3.942 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.985 1.823 3.006 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.561 1.101 3.204 1.00 0.00 C ATOM 0 H LEU A 23 -2.935 3.490 6.356 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.909 3.668 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.938 1.853 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.629 2.300 5.692 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.202 0.353 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.096 1.130 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.926 1.887 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.719 2.809 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.721 0.422 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.188 2.055 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.831 0.668 3.887 1.00 0.00 H new ATOM 305 N GLU A 24 -6.030 4.903 5.957 1.00 0.00 N ATOM 306 CA GLU A 24 -7.156 5.810 6.101 1.00 0.00 C ATOM 307 C GLU A 24 -6.869 7.130 5.382 1.00 0.00 C ATOM 308 O GLU A 24 -7.792 7.849 5.004 1.00 0.00 O ATOM 309 CB GLU A 24 -7.483 6.049 7.576 1.00 0.00 C ATOM 310 CG GLU A 24 -8.115 4.806 8.206 1.00 0.00 C ATOM 311 CD GLU A 24 -7.233 4.250 9.326 1.00 0.00 C ATOM 312 OE1 GLU A 24 -7.317 4.807 10.443 1.00 0.00 O ATOM 313 OE2 GLU A 24 -6.495 3.283 9.041 1.00 0.00 O ATOM 0 H GLU A 24 -5.721 4.465 6.825 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.030 5.350 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.573 6.312 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.165 6.895 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.099 5.056 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.264 4.043 7.442 1.00 0.00 H new ATOM 320 N ASN A 25 -5.584 7.409 5.216 1.00 0.00 N ATOM 321 CA ASN A 25 -5.164 8.630 4.550 1.00 0.00 C ATOM 322 C ASN A 25 -4.320 8.273 3.324 1.00 0.00 C ATOM 323 O ASN A 25 -3.149 8.642 3.243 1.00 0.00 O ATOM 324 CB ASN A 25 -4.309 9.497 5.476 1.00 0.00 C ATOM 325 CG ASN A 25 -5.018 9.738 6.810 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.234 9.772 6.899 1.00 0.00 O ATOM 327 ND2 ASN A 25 -4.192 9.904 7.840 1.00 0.00 N ATOM 0 H ASN A 25 -4.821 6.811 5.531 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.059 9.182 4.264 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.350 9.010 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.098 10.452 4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.568 10.072 8.773 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.183 9.864 7.696 1.00 0.00 H new ATOM 334 N LEU A 26 -4.947 7.559 2.401 1.00 0.00 N ATOM 335 CA LEU A 26 -4.268 7.148 1.184 1.00 0.00 C ATOM 336 C LEU A 26 -4.525 8.183 0.087 1.00 0.00 C ATOM 337 O LEU A 26 -3.615 8.543 -0.657 1.00 0.00 O ATOM 338 CB LEU A 26 -4.679 5.726 0.796 1.00 0.00 C ATOM 339 CG LEU A 26 -3.538 4.776 0.423 1.00 0.00 C ATOM 340 CD1 LEU A 26 -4.040 3.640 -0.469 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.378 5.539 -0.219 1.00 0.00 C ATOM 0 H LEU A 26 -5.918 7.255 2.471 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.190 7.112 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.232 5.289 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.367 5.785 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.158 4.322 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.210 2.980 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.807 3.074 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.462 4.055 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.581 4.841 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.727 6.038 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.999 6.282 0.482 1.00 0.00 H new ATOM 353 N GLU A 27 -5.770 8.632 0.022 1.00 0.00 N ATOM 354 CA GLU A 27 -6.158 9.619 -0.971 1.00 0.00 C ATOM 355 C GLU A 27 -5.621 10.999 -0.587 1.00 0.00 C ATOM 356 O GLU A 27 -5.429 11.856 -1.447 1.00 0.00 O ATOM 357 CB GLU A 27 -7.678 9.651 -1.147 1.00 0.00 C ATOM 358 CG GLU A 27 -8.210 8.281 -1.571 1.00 0.00 C ATOM 359 CD GLU A 27 -9.235 8.416 -2.699 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.053 9.357 -2.613 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.176 7.575 -3.622 1.00 0.00 O ATOM 0 H GLU A 27 -6.523 8.330 0.641 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.720 9.335 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.150 9.955 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.945 10.397 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.383 7.652 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.668 7.784 -0.716 1.00 0.00 H new ATOM 368 N ASN A 28 -5.394 11.171 0.708 1.00 0.00 N ATOM 369 CA ASN A 28 -4.883 12.432 1.216 1.00 0.00 C ATOM 370 C ASN A 28 -3.418 12.258 1.620 1.00 0.00 C ATOM 371 O ASN A 28 -2.911 12.995 2.465 1.00 0.00 O ATOM 372 CB ASN A 28 -5.664 12.884 2.452 1.00 0.00 C ATOM 373 CG ASN A 28 -6.734 13.912 2.079 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.472 14.913 1.433 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.952 13.610 2.521 1.00 0.00 N ATOM 0 H ASN A 28 -5.555 10.458 1.419 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.987 13.180 0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.133 12.022 2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.979 13.315 3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.735 14.233 2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.103 12.755 3.057 1.00 0.00 H new ATOM 382 N LEU A 29 -2.778 11.279 0.998 1.00 0.00 N ATOM 383 CA LEU A 29 -1.381 10.999 1.282 1.00 0.00 C ATOM 384 C LEU A 29 -0.510 11.599 0.176 1.00 0.00 C ATOM 385 O LEU A 29 -0.973 11.794 -0.946 1.00 0.00 O ATOM 386 CB LEU A 29 -1.166 9.498 1.487 1.00 0.00 C ATOM 387 CG LEU A 29 0.115 8.915 0.888 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.343 9.353 1.689 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.022 7.393 0.768 1.00 0.00 C ATOM 0 H LEU A 29 -3.201 10.670 0.298 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.081 11.471 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.168 9.294 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.017 8.968 1.060 1.00 0.00 H new ATOM 0 HG LEU A 29 0.231 9.310 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.240 8.925 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.416 10.441 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.249 9.006 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.946 7.005 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.130 6.959 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.816 7.129 0.123 1.00 0.00 H new ATOM 401 N ASP A 30 0.736 11.875 0.533 1.00 0.00 N ATOM 402 CA ASP A 30 1.676 12.449 -0.415 1.00 0.00 C ATOM 403 C ASP A 30 2.818 11.460 -0.656 1.00 0.00 C ATOM 404 O ASP A 30 3.808 11.459 0.074 1.00 0.00 O ATOM 405 CB ASP A 30 2.281 13.746 0.126 1.00 0.00 C ATOM 406 CG ASP A 30 3.504 14.257 -0.638 1.00 0.00 C ATOM 407 OD1 ASP A 30 3.693 13.792 -1.783 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.222 15.101 -0.060 1.00 0.00 O ATOM 0 H ASP A 30 1.116 11.712 1.465 1.00 0.00 H new ATOM 0 HA ASP A 30 1.137 12.660 -1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.514 14.520 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.561 13.592 1.168 1.00 0.00 H new ATOM 413 N VAL A 31 2.643 10.642 -1.684 1.00 0.00 N ATOM 414 CA VAL A 31 3.647 9.650 -2.031 1.00 0.00 C ATOM 415 C VAL A 31 5.003 10.339 -2.195 1.00 0.00 C ATOM 416 O VAL A 31 6.042 9.753 -1.894 1.00 0.00 O ATOM 417 CB VAL A 31 3.212 8.880 -3.279 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.791 9.838 -4.395 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.319 7.937 -3.754 1.00 0.00 C ATOM 0 H VAL A 31 1.821 10.646 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 31 3.751 8.915 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 31 2.346 8.273 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.486 9.265 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.956 10.450 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.630 10.483 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.984 7.402 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.212 8.515 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.551 7.222 -2.965 1.00 0.00 H new ATOM 429 N SER A 32 4.949 11.574 -2.673 1.00 0.00 N ATOM 430 CA SER A 32 6.160 12.349 -2.882 1.00 0.00 C ATOM 431 C SER A 32 6.770 12.740 -1.534 1.00 0.00 C ATOM 432 O SER A 32 7.861 13.306 -1.483 1.00 0.00 O ATOM 433 CB SER A 32 5.878 13.598 -3.719 1.00 0.00 C ATOM 434 OG SER A 32 6.826 13.763 -4.769 1.00 0.00 O ATOM 0 H SER A 32 4.085 12.057 -2.921 1.00 0.00 H new ATOM 0 HA SER A 32 6.871 11.731 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.876 13.532 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.894 14.477 -3.075 1.00 0.00 H new ATOM 0 HG SER A 32 6.610 14.570 -5.281 1.00 0.00 H new ATOM 440 N ALA A 33 6.039 12.422 -0.475 1.00 0.00 N ATOM 441 CA ALA A 33 6.494 12.733 0.869 1.00 0.00 C ATOM 442 C ALA A 33 7.569 11.726 1.284 1.00 0.00 C ATOM 443 O ALA A 33 8.615 12.109 1.806 1.00 0.00 O ATOM 444 CB ALA A 33 5.299 12.738 1.824 1.00 0.00 C ATOM 0 H ALA A 33 5.135 11.952 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 33 6.942 13.726 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.640 12.971 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.579 13.490 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.825 11.756 1.819 1.00 0.00 H new ATOM 450 N PHE A 34 7.274 10.458 1.038 1.00 0.00 N ATOM 451 CA PHE A 34 8.202 9.394 1.380 1.00 0.00 C ATOM 452 C PHE A 34 9.598 9.685 0.828 1.00 0.00 C ATOM 453 O PHE A 34 9.756 9.950 -0.363 1.00 0.00 O ATOM 454 CB PHE A 34 7.669 8.112 0.736 1.00 0.00 C ATOM 455 CG PHE A 34 6.271 7.712 1.210 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.072 7.340 2.503 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.226 7.728 0.339 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.774 6.968 2.943 1.00 0.00 C ATOM 459 CE2 PHE A 34 3.929 7.356 0.779 1.00 0.00 C ATOM 460 CZ PHE A 34 3.730 6.984 2.072 1.00 0.00 C ATOM 0 H PHE A 34 6.405 10.144 0.606 1.00 0.00 H new ATOM 0 HA PHE A 34 8.281 9.303 2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.651 8.242 -0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.360 7.297 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.901 7.328 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.383 8.024 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.616 6.672 3.970 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.100 7.368 0.087 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.743 6.701 2.407 1.00 0.00 H new ATOM 470 N GLN A 35 10.576 9.627 1.720 1.00 0.00 N ATOM 471 CA GLN A 35 11.955 9.882 1.337 1.00 0.00 C ATOM 472 C GLN A 35 12.646 8.575 0.944 1.00 0.00 C ATOM 473 O GLN A 35 13.803 8.582 0.524 1.00 0.00 O ATOM 474 CB GLN A 35 12.715 10.587 2.462 1.00 0.00 C ATOM 475 CG GLN A 35 14.211 10.273 2.394 1.00 0.00 C ATOM 476 CD GLN A 35 14.988 11.078 3.438 1.00 0.00 C ATOM 477 OE1 GLN A 35 15.219 10.639 4.552 1.00 0.00 O ATOM 478 NE2 GLN A 35 15.377 12.278 3.015 1.00 0.00 N ATOM 0 H GLN A 35 10.441 9.407 2.707 1.00 0.00 H new ATOM 0 HA GLN A 35 11.955 10.545 0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.562 11.664 2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.317 10.273 3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.370 9.207 2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.589 10.502 1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 35 15.150 12.584 2.069 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.902 12.892 3.637 1.00 0.00 H new ATOM 487 N ALA A 36 11.909 7.484 1.094 1.00 0.00 N ATOM 488 CA ALA A 36 12.438 6.172 0.759 1.00 0.00 C ATOM 489 C ALA A 36 13.230 6.264 -0.546 1.00 0.00 C ATOM 490 O ALA A 36 13.087 7.228 -1.297 1.00 0.00 O ATOM 491 CB ALA A 36 11.289 5.166 0.675 1.00 0.00 C ATOM 0 H ALA A 36 10.950 7.481 1.443 1.00 0.00 H new ATOM 0 HA ALA A 36 13.121 5.823 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.685 4.182 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.777 5.117 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.585 5.481 -0.095 1.00 0.00 H new ATOM 497 N PRO A 37 14.070 5.221 -0.783 1.00 0.00 N ATOM 498 CA PRO A 37 14.885 5.175 -1.985 1.00 0.00 C ATOM 499 C PRO A 37 14.039 4.816 -3.208 1.00 0.00 C ATOM 500 O PRO A 37 12.952 4.256 -3.073 1.00 0.00 O ATOM 501 CB PRO A 37 15.966 4.148 -1.688 1.00 0.00 C ATOM 502 CG PRO A 37 15.448 3.323 -0.521 1.00 0.00 C ATOM 503 CD PRO A 37 14.266 4.063 0.084 1.00 0.00 C ATOM 0 HA PRO A 37 15.328 6.140 -2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.156 3.519 -2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.908 4.635 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.146 2.332 -0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.231 3.181 0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.377 3.434 0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.472 4.367 1.110 1.00 0.00 H new ATOM 511 N GLU A 38 14.569 5.153 -4.375 1.00 0.00 N ATOM 512 CA GLU A 38 13.876 4.873 -5.621 1.00 0.00 C ATOM 513 C GLU A 38 13.972 3.383 -5.958 1.00 0.00 C ATOM 514 O GLU A 38 13.274 2.899 -6.848 1.00 0.00 O ATOM 515 CB GLU A 38 14.430 5.730 -6.761 1.00 0.00 C ATOM 516 CG GLU A 38 13.853 7.146 -6.712 1.00 0.00 C ATOM 517 CD GLU A 38 13.386 7.596 -8.098 1.00 0.00 C ATOM 518 OE1 GLU A 38 12.485 6.921 -8.640 1.00 0.00 O ATOM 519 OE2 GLU A 38 13.942 8.604 -8.585 1.00 0.00 O ATOM 0 H GLU A 38 15.471 5.618 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 38 12.824 5.130 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.517 5.774 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.189 5.268 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.016 7.178 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.607 7.837 -6.336 1.00 0.00 H new ATOM 526 N ASP A 39 14.842 2.699 -5.230 1.00 0.00 N ATOM 527 CA ASP A 39 15.038 1.275 -5.441 1.00 0.00 C ATOM 528 C ASP A 39 14.511 0.506 -4.227 1.00 0.00 C ATOM 529 O ASP A 39 14.898 -0.638 -3.997 1.00 0.00 O ATOM 530 CB ASP A 39 16.522 0.941 -5.605 1.00 0.00 C ATOM 531 CG ASP A 39 17.449 2.153 -5.710 1.00 0.00 C ATOM 532 OD1 ASP A 39 17.171 3.007 -6.580 1.00 0.00 O ATOM 533 OD2 ASP A 39 18.416 2.199 -4.919 1.00 0.00 O ATOM 0 H ASP A 39 15.419 3.105 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 39 14.503 0.992 -6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.838 0.333 -4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.645 0.330 -6.499 1.00 0.00 H new ATOM 538 N LEU A 40 13.637 1.167 -3.482 1.00 0.00 N ATOM 539 CA LEU A 40 13.054 0.561 -2.298 1.00 0.00 C ATOM 540 C LEU A 40 12.671 -0.888 -2.608 1.00 0.00 C ATOM 541 O LEU A 40 13.152 -1.814 -1.956 1.00 0.00 O ATOM 542 CB LEU A 40 11.889 1.408 -1.781 1.00 0.00 C ATOM 543 CG LEU A 40 11.222 0.916 -0.494 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.251 0.741 0.624 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.078 1.844 -0.081 1.00 0.00 C ATOM 0 H LEU A 40 13.319 2.116 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 40 13.782 0.532 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.249 2.423 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.131 1.463 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 40 10.787 -0.065 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.751 0.391 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.000 0.011 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.736 1.696 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.621 1.472 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.467 2.848 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.330 1.874 -0.873 1.00 0.00 H new ATOM 557 N LEU A 41 11.809 -1.039 -3.603 1.00 0.00 N ATOM 558 CA LEU A 41 11.357 -2.359 -4.007 1.00 0.00 C ATOM 559 C LEU A 41 12.012 -2.733 -5.338 1.00 0.00 C ATOM 560 O LEU A 41 11.371 -3.324 -6.205 1.00 0.00 O ATOM 561 CB LEU A 41 9.828 -2.415 -4.037 1.00 0.00 C ATOM 562 CG LEU A 41 9.101 -1.347 -3.217 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.836 -0.872 -3.934 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.804 -1.849 -1.803 1.00 0.00 C ATOM 0 H LEU A 41 11.412 -0.269 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 41 11.667 -3.108 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.502 -2.333 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.513 -3.396 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 41 9.760 -0.484 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.338 -0.113 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.104 -0.447 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.163 -1.716 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.287 -1.071 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.174 -2.737 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.739 -2.098 -1.301 1.00 0.00 H new ATOM 576 N ASP A 42 13.281 -2.372 -5.458 1.00 0.00 N ATOM 577 CA ASP A 42 14.031 -2.662 -6.668 1.00 0.00 C ATOM 578 C ASP A 42 13.750 -4.102 -7.104 1.00 0.00 C ATOM 579 O ASP A 42 13.975 -5.040 -6.341 1.00 0.00 O ATOM 580 CB ASP A 42 15.536 -2.525 -6.431 1.00 0.00 C ATOM 581 CG ASP A 42 16.419 -3.272 -7.432 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.275 -2.984 -8.640 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.218 -4.113 -6.967 1.00 0.00 O ATOM 0 H ASP A 42 13.809 -1.881 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 42 13.721 -1.951 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.798 -1.467 -6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.765 -2.885 -5.428 1.00 0.00 H new ATOM 588 N GLY A 43 13.262 -4.231 -8.329 1.00 0.00 N ATOM 589 CA GLY A 43 12.948 -5.541 -8.875 1.00 0.00 C ATOM 590 C GLY A 43 11.892 -6.251 -8.025 1.00 0.00 C ATOM 591 O GLY A 43 11.986 -7.454 -7.789 1.00 0.00 O ATOM 0 H GLY A 43 13.076 -3.450 -8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.586 -5.435 -9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.853 -6.147 -8.918 1.00 0.00 H new ATOM 595 N CYS A 44 10.910 -5.475 -7.588 1.00 0.00 N ATOM 596 CA CYS A 44 9.838 -6.014 -6.770 1.00 0.00 C ATOM 597 C CYS A 44 8.513 -5.774 -7.495 1.00 0.00 C ATOM 598 O CYS A 44 8.034 -4.642 -7.562 1.00 0.00 O ATOM 599 CB CYS A 44 9.838 -5.407 -5.365 1.00 0.00 C ATOM 600 SG CYS A 44 11.489 -5.605 -4.599 1.00 0.00 S ATOM 0 H CYS A 44 10.835 -4.477 -7.786 1.00 0.00 H new ATOM 0 HA CYS A 44 9.986 -7.085 -6.632 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.576 -4.350 -5.416 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.081 -5.894 -4.749 1.00 0.00 H new ATOM 0 HG CYS A 44 12.410 -5.391 -5.491 1.00 0.00 H new ATOM 606 N ARG A 45 7.957 -6.856 -8.019 1.00 0.00 N ATOM 607 CA ARG A 45 6.696 -6.777 -8.737 1.00 0.00 C ATOM 608 C ARG A 45 5.523 -6.809 -7.755 1.00 0.00 C ATOM 609 O ARG A 45 5.156 -7.872 -7.256 1.00 0.00 O ATOM 610 CB ARG A 45 6.553 -7.933 -9.729 1.00 0.00 C ATOM 611 CG ARG A 45 7.623 -7.854 -10.820 1.00 0.00 C ATOM 612 CD ARG A 45 7.843 -9.221 -11.472 1.00 0.00 C ATOM 613 NE ARG A 45 9.285 -9.433 -11.729 1.00 0.00 N ATOM 614 CZ ARG A 45 9.980 -8.796 -12.680 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.371 -7.902 -13.470 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.286 -9.052 -12.842 1.00 0.00 N ATOM 0 H ARG A 45 8.357 -7.793 -7.961 1.00 0.00 H new ATOM 0 HA ARG A 45 6.687 -5.837 -9.289 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.636 -8.883 -9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.563 -7.907 -10.183 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.323 -7.130 -11.577 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.559 -7.497 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.461 -10.009 -10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.286 -9.281 -12.407 1.00 0.00 H new ATOM 0 HE ARG A 45 9.781 -10.107 -11.145 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.378 -7.706 -13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.901 -7.417 -14.194 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.751 -9.732 -12.241 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.815 -8.566 -13.567 1.00 0.00 H new ATOM 630 N ILE A 46 4.967 -5.632 -7.508 1.00 0.00 N ATOM 631 CA ILE A 46 3.844 -5.512 -6.594 1.00 0.00 C ATOM 632 C ILE A 46 2.551 -5.367 -7.399 1.00 0.00 C ATOM 633 O ILE A 46 2.589 -5.095 -8.598 1.00 0.00 O ATOM 634 CB ILE A 46 4.080 -4.373 -5.601 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.380 -4.586 -4.822 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.878 -4.198 -4.671 1.00 0.00 C ATOM 637 CD1 ILE A 46 6.272 -3.345 -4.896 1.00 0.00 C ATOM 0 H ILE A 46 5.273 -4.753 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 46 3.746 -6.415 -5.991 1.00 0.00 H new ATOM 0 HB ILE A 46 4.189 -3.446 -6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.151 -4.813 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.913 -5.447 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.072 -3.382 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.991 -3.968 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.713 -5.119 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.189 -3.522 -4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.518 -3.136 -5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.745 -2.492 -4.469 1.00 0.00 H new ATOM 649 N TYR A 47 1.436 -5.557 -6.708 1.00 0.00 N ATOM 650 CA TYR A 47 0.134 -5.451 -7.344 1.00 0.00 C ATOM 651 C TYR A 47 -0.896 -4.849 -6.386 1.00 0.00 C ATOM 652 O TYR A 47 -0.621 -4.680 -5.199 1.00 0.00 O ATOM 653 CB TYR A 47 -0.284 -6.881 -7.691 1.00 0.00 C ATOM 654 CG TYR A 47 -1.674 -6.988 -8.321 1.00 0.00 C ATOM 655 CD1 TYR A 47 -1.891 -6.509 -9.597 1.00 0.00 C ATOM 656 CD2 TYR A 47 -2.710 -7.562 -7.614 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.199 -6.610 -10.191 1.00 0.00 C ATOM 658 CE2 TYR A 47 -4.018 -7.662 -8.207 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.198 -7.181 -9.466 1.00 0.00 C ATOM 660 OH TYR A 47 -5.434 -7.276 -10.027 1.00 0.00 O ATOM 0 H TYR A 47 1.408 -5.784 -5.714 1.00 0.00 H new ATOM 0 HA TYR A 47 0.187 -4.807 -8.222 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.448 -7.306 -8.377 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.260 -7.486 -6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.080 -6.058 -10.150 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.540 -7.936 -6.615 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.382 -6.241 -11.189 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.838 -8.109 -7.664 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.346 -7.359 -10.999 1.00 0.00 H new ATOM 670 N LEU A 48 -2.061 -4.542 -6.937 1.00 0.00 N ATOM 671 CA LEU A 48 -3.134 -3.964 -6.147 1.00 0.00 C ATOM 672 C LEU A 48 -4.397 -4.812 -6.309 1.00 0.00 C ATOM 673 O LEU A 48 -4.850 -5.049 -7.428 1.00 0.00 O ATOM 674 CB LEU A 48 -3.332 -2.490 -6.510 1.00 0.00 C ATOM 675 CG LEU A 48 -2.226 -1.534 -6.059 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.723 -1.898 -4.661 1.00 0.00 C ATOM 677 CD2 LEU A 48 -1.090 -1.488 -7.083 1.00 0.00 C ATOM 0 H LEU A 48 -2.285 -4.683 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.876 -3.977 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.432 -2.413 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.274 -2.153 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.646 -0.530 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.937 -1.203 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.548 -1.838 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.325 -2.913 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.317 -0.801 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.664 -2.485 -7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.478 -1.145 -8.042 1.00 0.00 H new ATOM 689 N CYS A 49 -4.929 -5.247 -5.176 1.00 0.00 N ATOM 690 CA CYS A 49 -6.130 -6.064 -5.179 1.00 0.00 C ATOM 691 C CYS A 49 -7.147 -5.426 -4.231 1.00 0.00 C ATOM 692 O CYS A 49 -7.073 -5.615 -3.018 1.00 0.00 O ATOM 693 CB CYS A 49 -5.828 -7.515 -4.800 1.00 0.00 C ATOM 694 SG CYS A 49 -7.190 -8.604 -5.356 1.00 0.00 S ATOM 0 H CYS A 49 -4.550 -5.049 -4.250 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.546 -6.100 -6.186 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.890 -7.831 -5.256 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.702 -7.599 -3.721 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.030 -9.791 -4.852 1.00 0.00 H new ATOM 700 N GLY A 50 -8.074 -4.684 -4.820 1.00 0.00 N ATOM 701 CA GLY A 50 -9.104 -4.017 -4.042 1.00 0.00 C ATOM 702 C GLY A 50 -8.892 -2.502 -4.036 1.00 0.00 C ATOM 703 O GLY A 50 -9.341 -1.813 -3.121 1.00 0.00 O ATOM 0 H GLY A 50 -8.133 -4.530 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.085 -4.249 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.093 -4.393 -3.019 1.00 0.00 H new ATOM 707 N PHE A 51 -8.208 -2.028 -5.067 1.00 0.00 N ATOM 708 CA PHE A 51 -7.931 -0.607 -5.191 1.00 0.00 C ATOM 709 C PHE A 51 -8.541 -0.040 -6.474 1.00 0.00 C ATOM 710 O PHE A 51 -9.001 -0.792 -7.333 1.00 0.00 O ATOM 711 CB PHE A 51 -6.410 -0.452 -5.252 1.00 0.00 C ATOM 712 CG PHE A 51 -5.715 -0.591 -3.896 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.563 0.498 -3.096 1.00 0.00 C ATOM 714 CD2 PHE A 51 -5.250 -1.803 -3.491 1.00 0.00 C ATOM 715 CE1 PHE A 51 -4.918 0.370 -1.837 1.00 0.00 C ATOM 716 CE2 PHE A 51 -4.605 -1.931 -2.232 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.453 -0.842 -1.432 1.00 0.00 C ATOM 0 H PHE A 51 -7.838 -2.603 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.362 -0.069 -4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.006 -1.200 -5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.171 0.525 -5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.933 1.460 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.371 -2.668 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.797 1.235 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.235 -2.893 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.963 -0.940 -0.475 1.00 0.00 H new ATOM 727 N SER A 52 -8.527 1.282 -6.564 1.00 0.00 N ATOM 728 CA SER A 52 -9.073 1.959 -7.728 1.00 0.00 C ATOM 729 C SER A 52 -8.755 3.454 -7.662 1.00 0.00 C ATOM 730 O SER A 52 -7.885 3.939 -8.383 1.00 0.00 O ATOM 731 CB SER A 52 -10.584 1.742 -7.832 1.00 0.00 C ATOM 732 OG SER A 52 -10.921 0.805 -8.851 1.00 0.00 O ATOM 0 H SER A 52 -8.146 1.902 -5.850 1.00 0.00 H new ATOM 0 HA SER A 52 -8.609 1.535 -8.619 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.966 1.389 -6.874 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.073 2.694 -8.039 1.00 0.00 H new ATOM 0 HG SER A 52 -10.419 -0.025 -8.711 1.00 0.00 H new ATOM 738 N GLY A 53 -9.476 4.142 -6.790 1.00 0.00 N ATOM 739 CA GLY A 53 -9.281 5.572 -6.620 1.00 0.00 C ATOM 740 C GLY A 53 -7.820 5.891 -6.299 1.00 0.00 C ATOM 741 O GLY A 53 -6.942 5.049 -6.481 1.00 0.00 O ATOM 0 H GLY A 53 -10.197 3.736 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.580 6.094 -7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.922 5.937 -5.817 1.00 0.00 H new ATOM 745 N ARG A 54 -7.604 7.110 -5.827 1.00 0.00 N ATOM 746 CA ARG A 54 -6.264 7.552 -5.479 1.00 0.00 C ATOM 747 C ARG A 54 -5.482 6.410 -4.825 1.00 0.00 C ATOM 748 O ARG A 54 -4.287 6.253 -5.068 1.00 0.00 O ATOM 749 CB ARG A 54 -6.308 8.744 -4.521 1.00 0.00 C ATOM 750 CG ARG A 54 -6.857 9.989 -5.221 1.00 0.00 C ATOM 751 CD ARG A 54 -7.357 11.016 -4.202 1.00 0.00 C ATOM 752 NE ARG A 54 -7.390 12.362 -4.815 1.00 0.00 N ATOM 753 CZ ARG A 54 -7.427 13.505 -4.116 1.00 0.00 C ATOM 754 NH1 ARG A 54 -7.437 13.471 -2.777 1.00 0.00 N ATOM 755 NH2 ARG A 54 -7.455 14.682 -4.757 1.00 0.00 N ATOM 0 H ARG A 54 -8.335 7.806 -5.677 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.767 7.858 -6.399 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.932 8.501 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.307 8.947 -4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.079 10.435 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.672 9.706 -5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.353 10.741 -3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.705 11.021 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.384 12.424 -5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.416 12.575 -2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.465 14.341 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.448 14.708 -5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.483 15.552 -4.225 1.00 0.00 H new ATOM 769 N LYS A 55 -6.189 5.643 -4.008 1.00 0.00 N ATOM 770 CA LYS A 55 -5.577 4.521 -3.318 1.00 0.00 C ATOM 771 C LYS A 55 -4.659 3.772 -4.286 1.00 0.00 C ATOM 772 O LYS A 55 -3.515 3.467 -3.952 1.00 0.00 O ATOM 773 CB LYS A 55 -6.648 3.636 -2.677 1.00 0.00 C ATOM 774 CG LYS A 55 -7.613 4.469 -1.831 1.00 0.00 C ATOM 775 CD LYS A 55 -8.171 3.648 -0.667 1.00 0.00 C ATOM 776 CE LYS A 55 -8.219 4.479 0.617 1.00 0.00 C ATOM 777 NZ LYS A 55 -9.561 4.397 1.237 1.00 0.00 N ATOM 0 H LYS A 55 -7.180 5.777 -3.809 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.955 4.874 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.202 3.109 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.173 2.878 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.098 5.349 -1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.433 4.827 -2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.172 3.295 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.551 2.765 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.465 4.120 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.978 5.518 0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.577 4.966 2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.273 4.761 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.777 3.406 1.468 1.00 0.00 H new ATOM 791 N LEU A 56 -5.195 3.496 -5.466 1.00 0.00 N ATOM 792 CA LEU A 56 -4.438 2.789 -6.484 1.00 0.00 C ATOM 793 C LEU A 56 -3.264 3.659 -6.938 1.00 0.00 C ATOM 794 O LEU A 56 -2.109 3.348 -6.650 1.00 0.00 O ATOM 795 CB LEU A 56 -5.356 2.351 -7.627 1.00 0.00 C ATOM 796 CG LEU A 56 -4.705 1.511 -8.727 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.561 0.664 -8.166 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.746 0.658 -9.455 1.00 0.00 C ATOM 0 H LEU A 56 -6.144 3.749 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.016 1.871 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.183 1.781 -7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.784 3.243 -8.084 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.273 2.189 -9.463 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.116 0.077 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.804 1.317 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.947 -0.006 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.256 0.071 -10.232 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.229 -0.012 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.495 1.307 -9.909 1.00 0.00 H new ATOM 810 N ASP A 57 -3.600 4.730 -7.641 1.00 0.00 N ATOM 811 CA ASP A 57 -2.588 5.647 -8.137 1.00 0.00 C ATOM 812 C ASP A 57 -1.500 5.822 -7.076 1.00 0.00 C ATOM 813 O ASP A 57 -0.312 5.840 -7.396 1.00 0.00 O ATOM 814 CB ASP A 57 -3.188 7.024 -8.430 1.00 0.00 C ATOM 815 CG ASP A 57 -2.168 8.119 -8.748 1.00 0.00 C ATOM 816 OD1 ASP A 57 -1.560 8.626 -7.780 1.00 0.00 O ATOM 817 OD2 ASP A 57 -2.020 8.425 -9.950 1.00 0.00 O ATOM 0 H ASP A 57 -4.559 4.984 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.177 5.230 -9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.875 6.933 -9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.778 7.337 -7.569 1.00 0.00 H new ATOM 822 N LYS A 58 -1.943 5.946 -5.834 1.00 0.00 N ATOM 823 CA LYS A 58 -1.022 6.118 -4.723 1.00 0.00 C ATOM 824 C LYS A 58 0.065 5.044 -4.797 1.00 0.00 C ATOM 825 O LYS A 58 1.244 5.359 -4.948 1.00 0.00 O ATOM 826 CB LYS A 58 -1.781 6.135 -3.395 1.00 0.00 C ATOM 827 CG LYS A 58 -2.480 7.479 -3.180 1.00 0.00 C ATOM 828 CD LYS A 58 -1.504 8.525 -2.638 1.00 0.00 C ATOM 829 CE LYS A 58 -2.126 9.922 -2.665 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.198 10.891 -3.289 1.00 0.00 N ATOM 0 H LYS A 58 -2.929 5.931 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.521 7.084 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.518 5.332 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.089 5.945 -2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.905 7.827 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.309 7.354 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.221 8.269 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.591 8.518 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.064 9.898 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.365 10.240 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.863 11.564 -2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.385 10.383 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.692 11.409 -4.044 1.00 0.00 H new ATOM 844 N LEU A 59 -0.371 3.798 -4.686 1.00 0.00 N ATOM 845 CA LEU A 59 0.550 2.675 -4.738 1.00 0.00 C ATOM 846 C LEU A 59 1.363 2.748 -6.033 1.00 0.00 C ATOM 847 O LEU A 59 2.582 2.588 -6.014 1.00 0.00 O ATOM 848 CB LEU A 59 -0.202 1.356 -4.558 1.00 0.00 C ATOM 849 CG LEU A 59 -0.633 1.019 -3.128 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.042 2.016 -2.129 1.00 0.00 C ATOM 851 CD2 LEU A 59 -2.156 0.933 -3.020 1.00 0.00 C ATOM 0 H LEU A 59 -1.350 3.541 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 59 1.259 2.725 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.091 1.378 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.430 0.547 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.237 0.036 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.363 1.755 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.046 1.984 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.387 3.021 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.435 0.692 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.595 1.890 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.525 0.155 -3.688 1.00 0.00 H new ATOM 863 N ARG A 60 0.654 2.989 -7.126 1.00 0.00 N ATOM 864 CA ARG A 60 1.295 3.084 -8.427 1.00 0.00 C ATOM 865 C ARG A 60 2.504 4.019 -8.356 1.00 0.00 C ATOM 866 O ARG A 60 3.583 3.681 -8.838 1.00 0.00 O ATOM 867 CB ARG A 60 0.319 3.603 -9.484 1.00 0.00 C ATOM 868 CG ARG A 60 -0.942 2.738 -9.538 1.00 0.00 C ATOM 869 CD ARG A 60 -1.638 2.865 -10.895 1.00 0.00 C ATOM 870 NE ARG A 60 -2.835 3.727 -10.771 1.00 0.00 N ATOM 871 CZ ARG A 60 -3.371 4.418 -11.786 1.00 0.00 C ATOM 872 NH1 ARG A 60 -2.820 4.354 -13.005 1.00 0.00 N ATOM 873 NH2 ARG A 60 -4.458 5.174 -11.581 1.00 0.00 N ATOM 0 H ARG A 60 -0.357 3.121 -7.138 1.00 0.00 H new ATOM 0 HA ARG A 60 1.622 2.083 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.047 4.634 -9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.803 3.607 -10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.680 1.696 -9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.627 3.038 -8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.950 3.287 -11.628 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.926 1.879 -11.259 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.279 3.799 -9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.992 3.779 -13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.228 4.880 -13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.877 5.223 -10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.866 5.700 -12.354 1.00 0.00 H new ATOM 887 N ARG A 61 2.281 5.177 -7.751 1.00 0.00 N ATOM 888 CA ARG A 61 3.339 6.164 -7.611 1.00 0.00 C ATOM 889 C ARG A 61 4.405 5.663 -6.634 1.00 0.00 C ATOM 890 O ARG A 61 5.600 5.822 -6.880 1.00 0.00 O ATOM 891 CB ARG A 61 2.784 7.498 -7.110 1.00 0.00 C ATOM 892 CG ARG A 61 1.884 8.148 -8.163 1.00 0.00 C ATOM 893 CD ARG A 61 1.631 9.621 -7.835 1.00 0.00 C ATOM 894 NE ARG A 61 0.907 10.271 -8.950 1.00 0.00 N ATOM 895 CZ ARG A 61 1.492 10.704 -10.074 1.00 0.00 C ATOM 896 NH1 ARG A 61 2.814 10.559 -10.240 1.00 0.00 N ATOM 897 NH2 ARG A 61 0.756 11.282 -11.033 1.00 0.00 N ATOM 0 H ARG A 61 1.384 5.454 -7.352 1.00 0.00 H new ATOM 0 HA ARG A 61 3.785 6.316 -8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.219 7.339 -6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.607 8.169 -6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.349 8.065 -9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.935 7.615 -8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.050 9.703 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.578 10.131 -7.659 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.101 10.397 -8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.374 10.119 -9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.260 10.889 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.250 11.392 -10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.202 11.612 -11.889 1.00 0.00 H new ATOM 911 N LEU A 62 3.935 5.070 -5.547 1.00 0.00 N ATOM 912 CA LEU A 62 4.833 4.546 -4.533 1.00 0.00 C ATOM 913 C LEU A 62 5.744 3.489 -5.161 1.00 0.00 C ATOM 914 O LEU A 62 6.954 3.688 -5.261 1.00 0.00 O ATOM 915 CB LEU A 62 4.041 4.036 -3.327 1.00 0.00 C ATOM 916 CG LEU A 62 3.692 5.080 -2.264 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.240 5.541 -2.404 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.993 4.553 -0.859 1.00 0.00 C ATOM 0 H LEU A 62 2.943 4.941 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 62 5.478 5.337 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.114 3.590 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.614 3.240 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 62 4.324 5.954 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.018 6.283 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.092 5.983 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.574 4.686 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.736 5.314 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.404 3.655 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.054 4.314 -0.779 1.00 0.00 H new ATOM 930 N ILE A 63 5.128 2.389 -5.568 1.00 0.00 N ATOM 931 CA ILE A 63 5.868 1.301 -6.184 1.00 0.00 C ATOM 932 C ILE A 63 6.968 1.880 -7.077 1.00 0.00 C ATOM 933 O ILE A 63 8.143 1.555 -6.910 1.00 0.00 O ATOM 934 CB ILE A 63 4.917 0.353 -6.917 1.00 0.00 C ATOM 935 CG1 ILE A 63 4.165 -0.541 -5.929 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.663 -0.463 -7.975 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.688 -0.659 -6.310 1.00 0.00 C ATOM 0 H ILE A 63 4.124 2.228 -5.483 1.00 0.00 H new ATOM 0 HA ILE A 63 6.360 0.696 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 63 4.172 0.953 -7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.620 -1.531 -5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.253 -0.131 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.964 -1.129 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.114 0.211 -8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.444 -1.054 -7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.177 -1.300 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.230 0.330 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.603 -1.092 -7.307 1.00 0.00 H new ATOM 949 N ASN A 64 6.548 2.727 -8.005 1.00 0.00 N ATOM 950 CA ASN A 64 7.483 3.353 -8.924 1.00 0.00 C ATOM 951 C ASN A 64 8.478 4.203 -8.132 1.00 0.00 C ATOM 952 O ASN A 64 9.680 4.163 -8.392 1.00 0.00 O ATOM 953 CB ASN A 64 6.756 4.271 -9.909 1.00 0.00 C ATOM 954 CG ASN A 64 7.253 4.046 -11.338 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.982 4.845 -11.903 1.00 0.00 O ATOM 956 ND2 ASN A 64 6.820 2.916 -11.890 1.00 0.00 N ATOM 0 H ASN A 64 5.573 2.994 -8.140 1.00 0.00 H new ATOM 0 HA ASN A 64 7.993 2.563 -9.476 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.683 4.086 -9.860 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.913 5.312 -9.625 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.097 2.675 -12.842 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.211 2.291 -11.362 1.00 0.00 H new ATOM 963 N SER A 65 7.941 4.953 -7.181 1.00 0.00 N ATOM 964 CA SER A 65 8.767 5.812 -6.349 1.00 0.00 C ATOM 965 C SER A 65 9.765 4.967 -5.553 1.00 0.00 C ATOM 966 O SER A 65 10.720 5.497 -4.989 1.00 0.00 O ATOM 967 CB SER A 65 7.909 6.652 -5.401 1.00 0.00 C ATOM 968 OG SER A 65 8.676 7.639 -4.719 1.00 0.00 O ATOM 0 H SER A 65 6.944 4.984 -6.968 1.00 0.00 H new ATOM 0 HA SER A 65 9.315 6.494 -7.000 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.114 7.138 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.429 5.999 -4.672 1.00 0.00 H new ATOM 0 HG SER A 65 9.558 7.273 -4.498 1.00 0.00 H new ATOM 974 N GLY A 66 9.508 3.667 -5.535 1.00 0.00 N ATOM 975 CA GLY A 66 10.372 2.744 -4.818 1.00 0.00 C ATOM 976 C GLY A 66 11.149 1.854 -5.790 1.00 0.00 C ATOM 977 O GLY A 66 11.955 1.026 -5.369 1.00 0.00 O ATOM 0 H GLY A 66 8.714 3.231 -6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.069 3.303 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.774 2.124 -4.150 1.00 0.00 H new ATOM 981 N GLY A 67 10.879 2.055 -7.071 1.00 0.00 N ATOM 982 CA GLY A 67 11.543 1.281 -8.106 1.00 0.00 C ATOM 983 C GLY A 67 10.793 -0.024 -8.382 1.00 0.00 C ATOM 984 O GLY A 67 10.978 -0.642 -9.429 1.00 0.00 O ATOM 0 H GLY A 67 10.209 2.743 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.605 1.869 -9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.565 1.059 -7.800 1.00 0.00 H new ATOM 988 N GLY A 68 9.961 -0.404 -7.423 1.00 0.00 N ATOM 989 CA GLY A 68 9.181 -1.624 -7.549 1.00 0.00 C ATOM 990 C GLY A 68 8.434 -1.662 -8.884 1.00 0.00 C ATOM 991 O GLY A 68 8.154 -0.619 -9.472 1.00 0.00 O ATOM 0 H GLY A 68 9.810 0.111 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.839 -2.490 -7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.468 -1.691 -6.727 1.00 0.00 H new ATOM 995 N VAL A 69 8.134 -2.875 -9.323 1.00 0.00 N ATOM 996 CA VAL A 69 7.425 -3.063 -10.577 1.00 0.00 C ATOM 997 C VAL A 69 5.922 -3.144 -10.302 1.00 0.00 C ATOM 998 O VAL A 69 5.448 -4.109 -9.703 1.00 0.00 O ATOM 999 CB VAL A 69 7.967 -4.294 -11.306 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.975 -4.788 -12.361 1.00 0.00 C ATOM 1001 CG2 VAL A 69 9.333 -4.005 -11.930 1.00 0.00 C ATOM 0 H VAL A 69 8.369 -3.738 -8.832 1.00 0.00 H new ATOM 0 HA VAL A 69 7.589 -2.212 -11.239 1.00 0.00 H new ATOM 0 HB VAL A 69 8.097 -5.088 -10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.385 -5.664 -12.864 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.034 -5.054 -11.879 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.798 -3.999 -13.092 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.695 -4.897 -12.442 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.241 -3.188 -12.646 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.038 -3.724 -11.148 1.00 0.00 H new ATOM 1011 N ARG A 70 5.214 -2.119 -10.751 1.00 0.00 N ATOM 1012 CA ARG A 70 3.774 -2.062 -10.560 1.00 0.00 C ATOM 1013 C ARG A 70 3.059 -2.782 -11.705 1.00 0.00 C ATOM 1014 O ARG A 70 2.895 -2.223 -12.789 1.00 0.00 O ATOM 1015 CB ARG A 70 3.284 -0.615 -10.492 1.00 0.00 C ATOM 1016 CG ARG A 70 1.760 -0.546 -10.607 1.00 0.00 C ATOM 1017 CD ARG A 70 1.089 -1.137 -9.366 1.00 0.00 C ATOM 1018 NE ARG A 70 -0.019 -2.033 -9.768 1.00 0.00 N ATOM 1019 CZ ARG A 70 -1.076 -1.642 -10.492 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -1.176 -0.369 -10.898 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -2.033 -2.524 -10.811 1.00 0.00 N ATOM 0 H ARG A 70 5.610 -1.321 -11.247 1.00 0.00 H new ATOM 0 HA ARG A 70 3.545 -2.555 -9.616 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.602 -0.163 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.739 -0.035 -11.295 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.448 0.491 -10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.434 -1.089 -11.494 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.820 -1.691 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.708 -0.336 -8.732 1.00 0.00 H new ATOM 0 HE ARG A 70 0.025 -3.009 -9.475 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.447 0.302 -10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.981 -0.071 -11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.957 -3.493 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.838 -2.226 -11.362 1.00 0.00 H new ATOM 1035 N PHE A 71 2.651 -4.011 -11.426 1.00 0.00 N ATOM 1036 CA PHE A 71 1.956 -4.813 -12.419 1.00 0.00 C ATOM 1037 C PHE A 71 0.521 -4.321 -12.615 1.00 0.00 C ATOM 1038 O PHE A 71 -0.062 -3.722 -11.712 1.00 0.00 O ATOM 1039 CB PHE A 71 1.923 -6.249 -11.890 1.00 0.00 C ATOM 1040 CG PHE A 71 3.015 -7.150 -12.469 1.00 0.00 C ATOM 1041 CD1 PHE A 71 4.227 -6.627 -12.794 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.773 -8.475 -12.659 1.00 0.00 C ATOM 1043 CE1 PHE A 71 5.241 -7.464 -13.331 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.786 -9.312 -13.196 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.999 -8.789 -13.521 1.00 0.00 C ATOM 0 H PHE A 71 2.788 -4.471 -10.526 1.00 0.00 H new ATOM 0 HA PHE A 71 2.469 -4.744 -13.378 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.021 -6.228 -10.805 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.950 -6.685 -12.114 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.419 -5.575 -12.644 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.810 -8.890 -12.401 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.204 -7.049 -13.588 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.594 -10.364 -13.347 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.770 -9.426 -13.930 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.007 -4.592 -13.799 1.00 0.00 N ATOM 1056 CA ASN A 72 -1.363 -4.184 -14.125 1.00 0.00 C ATOM 1057 C ASN A 72 -2.335 -5.300 -13.735 1.00 0.00 C ATOM 1058 O ASN A 72 -3.480 -5.032 -13.375 1.00 0.00 O ATOM 1059 CB ASN A 72 -1.516 -3.928 -15.626 1.00 0.00 C ATOM 1060 CG ASN A 72 -1.736 -2.441 -15.909 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -1.703 -1.602 -15.024 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -1.961 -2.162 -17.190 1.00 0.00 N ATOM 0 H ASN A 72 0.480 -5.089 -14.545 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.579 -3.266 -13.578 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.625 -4.274 -16.150 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.357 -4.504 -16.013 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.119 -1.197 -17.482 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.975 -2.913 -17.881 1.00 0.00 H new ATOM 1069 N GLN A 73 -1.841 -6.526 -13.818 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.651 -7.683 -13.478 1.00 0.00 C ATOM 1071 C GLN A 73 -1.841 -8.670 -12.635 1.00 0.00 C ATOM 1072 O GLN A 73 -0.632 -8.805 -12.822 1.00 0.00 O ATOM 1073 CB GLN A 73 -3.199 -8.359 -14.737 1.00 0.00 C ATOM 1074 CG GLN A 73 -2.072 -8.685 -15.719 1.00 0.00 C ATOM 1075 CD GLN A 73 -2.594 -9.501 -16.903 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -3.402 -10.404 -16.759 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -2.090 -9.135 -18.077 1.00 0.00 N ATOM 0 H GLN A 73 -0.890 -6.744 -14.116 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.502 -7.344 -12.888 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.724 -9.274 -14.463 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.927 -7.705 -15.217 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.621 -7.761 -16.081 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.288 -9.242 -15.206 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.417 -8.370 -18.127 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.376 -9.619 -18.928 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.538 -9.334 -11.725 1.00 0.00 N ATOM 1087 CA LEU A 74 -1.898 -10.304 -10.853 1.00 0.00 C ATOM 1088 C LEU A 74 -1.498 -11.533 -11.672 1.00 0.00 C ATOM 1089 O LEU A 74 -1.976 -11.722 -12.789 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.798 -10.627 -9.659 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.130 -10.578 -8.283 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -3.173 -10.449 -7.171 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.216 -11.787 -8.074 1.00 0.00 C ATOM 0 H LEU A 74 -3.540 -9.219 -11.573 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.983 -9.890 -10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.634 -9.928 -9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.215 -11.624 -9.803 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.502 -9.688 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.671 -10.416 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.746 -9.533 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.846 -11.306 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.754 -11.728 -7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.802 -12.703 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.440 -11.793 -8.839 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.624 -12.338 -11.084 1.00 0.00 N ATOM 1106 CA ASN A 75 -0.154 -13.543 -11.744 1.00 0.00 C ATOM 1107 C ASN A 75 1.199 -13.947 -11.157 1.00 0.00 C ATOM 1108 O ASN A 75 1.682 -13.322 -10.213 1.00 0.00 O ATOM 1109 CB ASN A 75 0.032 -13.312 -13.245 1.00 0.00 C ATOM 1110 CG ASN A 75 0.648 -11.938 -13.516 1.00 0.00 C ATOM 1111 OD1 ASN A 75 1.703 -11.592 -13.010 1.00 0.00 O ATOM 1112 ND2 ASN A 75 -0.067 -11.178 -14.340 1.00 0.00 N ATOM 0 H ASN A 75 -0.229 -12.178 -10.157 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.898 -14.324 -11.589 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.673 -14.090 -13.660 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.931 -13.389 -13.750 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.260 -10.243 -14.584 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.942 -11.530 -14.728 1.00 0.00 H new ATOM 1119 N GLU A 76 1.774 -14.990 -11.739 1.00 0.00 N ATOM 1120 CA GLU A 76 3.062 -15.484 -11.284 1.00 0.00 C ATOM 1121 C GLU A 76 4.153 -14.444 -11.548 1.00 0.00 C ATOM 1122 O GLU A 76 4.772 -14.444 -12.611 1.00 0.00 O ATOM 1123 CB GLU A 76 3.404 -16.818 -11.952 1.00 0.00 C ATOM 1124 CG GLU A 76 2.836 -17.993 -11.152 1.00 0.00 C ATOM 1125 CD GLU A 76 3.431 -19.319 -11.629 1.00 0.00 C ATOM 1126 OE1 GLU A 76 3.026 -19.760 -12.727 1.00 0.00 O ATOM 1127 OE2 GLU A 76 4.276 -19.863 -10.886 1.00 0.00 O ATOM 0 H GLU A 76 1.371 -15.506 -12.521 1.00 0.00 H new ATOM 0 HA GLU A 76 3.004 -15.657 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.002 -16.835 -12.965 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.486 -16.920 -12.036 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.051 -17.854 -10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.751 -18.018 -11.257 1.00 0.00 H new ATOM 1134 N ASP A 77 4.355 -13.583 -10.562 1.00 0.00 N ATOM 1135 CA ASP A 77 5.361 -12.540 -10.674 1.00 0.00 C ATOM 1136 C ASP A 77 5.194 -11.551 -9.518 1.00 0.00 C ATOM 1137 O ASP A 77 6.177 -11.021 -9.003 1.00 0.00 O ATOM 1138 CB ASP A 77 5.208 -11.766 -11.985 1.00 0.00 C ATOM 1139 CG ASP A 77 6.307 -12.020 -13.018 1.00 0.00 C ATOM 1140 OD1 ASP A 77 7.322 -12.637 -12.627 1.00 0.00 O ATOM 1141 OD2 ASP A 77 6.108 -11.593 -14.175 1.00 0.00 O ATOM 0 H ASP A 77 3.840 -13.586 -9.682 1.00 0.00 H new ATOM 0 HA ASP A 77 6.343 -13.013 -10.647 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.246 -12.021 -12.430 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.182 -10.700 -11.759 1.00 0.00 H new ATOM 1146 N VAL A 78 3.942 -11.331 -9.145 1.00 0.00 N ATOM 1147 CA VAL A 78 3.633 -10.415 -8.061 1.00 0.00 C ATOM 1148 C VAL A 78 4.326 -10.893 -6.783 1.00 0.00 C ATOM 1149 O VAL A 78 3.912 -11.881 -6.180 1.00 0.00 O ATOM 1150 CB VAL A 78 2.117 -10.281 -7.904 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.766 -9.439 -6.675 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.485 -9.696 -9.169 1.00 0.00 C ATOM 0 H VAL A 78 3.129 -11.772 -9.575 1.00 0.00 H new ATOM 0 HA VAL A 78 4.012 -9.418 -8.284 1.00 0.00 H new ATOM 0 HB VAL A 78 1.705 -11.279 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.683 -9.359 -6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.169 -9.914 -5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.196 -8.443 -6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.407 -9.611 -9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.905 -8.709 -9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.692 -10.351 -10.015 1.00 0.00 H new ATOM 1162 N THR A 79 5.370 -10.168 -6.408 1.00 0.00 N ATOM 1163 CA THR A 79 6.125 -10.506 -5.213 1.00 0.00 C ATOM 1164 C THR A 79 5.363 -10.068 -3.960 1.00 0.00 C ATOM 1165 O THR A 79 5.669 -10.515 -2.856 1.00 0.00 O ATOM 1166 CB THR A 79 7.511 -9.870 -5.334 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.251 -8.469 -5.352 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.165 -10.145 -6.690 1.00 0.00 C ATOM 0 H THR A 79 5.711 -9.348 -6.910 1.00 0.00 H new ATOM 0 HA THR A 79 6.253 -11.584 -5.118 1.00 0.00 H new ATOM 0 HB THR A 79 8.153 -10.247 -4.538 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.095 -8.153 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.146 -9.672 -6.723 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.276 -11.220 -6.829 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.539 -9.739 -7.485 1.00 0.00 H new ATOM 1176 N HIS A 80 4.386 -9.200 -4.174 1.00 0.00 N ATOM 1177 CA HIS A 80 3.578 -8.697 -3.076 1.00 0.00 C ATOM 1178 C HIS A 80 2.189 -8.318 -3.592 1.00 0.00 C ATOM 1179 O HIS A 80 2.054 -7.797 -4.698 1.00 0.00 O ATOM 1180 CB HIS A 80 4.284 -7.538 -2.368 1.00 0.00 C ATOM 1181 CG HIS A 80 5.698 -7.850 -1.941 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.729 -8.044 -2.844 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.242 -7.997 -0.698 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.838 -8.298 -2.165 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.534 -8.269 -0.835 1.00 0.00 N ATOM 0 H HIS A 80 4.135 -8.832 -5.092 1.00 0.00 H new ATOM 0 HA HIS A 80 3.448 -9.479 -2.328 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.298 -6.674 -3.033 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.704 -7.255 -1.490 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.711 -7.907 0.238 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.812 -8.494 -2.590 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.191 -8.430 -0.072 1.00 0.00 H new ATOM 1193 N VAL A 81 1.190 -8.595 -2.767 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.185 -8.290 -3.126 1.00 0.00 C ATOM 1195 C VAL A 81 -0.772 -7.318 -2.100 1.00 0.00 C ATOM 1196 O VAL A 81 -1.149 -7.723 -1.002 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.991 -9.583 -3.254 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.481 -9.284 -3.440 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.460 -10.450 -4.397 1.00 0.00 C ATOM 0 H VAL A 81 1.305 -9.028 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.226 -7.800 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.874 -10.143 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.032 -10.220 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.850 -8.726 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.623 -8.693 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.051 -11.363 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.532 -9.900 -5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.582 -10.706 -4.206 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.830 -6.055 -2.495 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.365 -5.022 -1.624 1.00 0.00 C ATOM 1211 C ILE A 82 -2.890 -4.997 -1.747 1.00 0.00 C ATOM 1212 O ILE A 82 -3.425 -4.719 -2.819 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.702 -3.676 -1.919 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.822 -3.812 -1.958 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.156 -2.610 -0.920 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.439 -3.460 -0.603 1.00 0.00 C ATOM 0 H ILE A 82 -0.515 -5.723 -3.407 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.132 -5.244 -0.582 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.022 -3.348 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.093 -4.832 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.229 -3.157 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.670 -1.663 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.237 -2.488 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.885 -2.919 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.523 -3.565 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.187 -2.432 -0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.048 -4.132 0.161 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.546 -5.290 -0.634 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.999 -5.304 -0.603 1.00 0.00 C ATOM 1230 C VAL A 83 -5.503 -4.034 0.085 1.00 0.00 C ATOM 1231 O VAL A 83 -4.908 -3.573 1.058 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.496 -6.585 0.070 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -7.023 -6.669 0.030 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.862 -7.822 -0.571 1.00 0.00 C ATOM 0 H VAL A 83 -3.098 -5.520 0.253 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.402 -5.307 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.190 -6.555 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.350 -7.589 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.448 -5.812 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.361 -6.666 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.232 -8.719 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.124 -7.858 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.778 -7.771 -0.467 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.594 -3.504 -0.448 1.00 0.00 N ATOM 1245 CA GLY A 84 -7.184 -2.296 0.103 1.00 0.00 C ATOM 1246 C GLY A 84 -8.409 -2.625 0.959 1.00 0.00 C ATOM 1247 O GLY A 84 -8.631 -2.003 1.997 1.00 0.00 O ATOM 0 H GLY A 84 -7.085 -3.889 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.445 -1.769 0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.471 -1.625 -0.707 1.00 0.00 H new ATOM 1251 N ASP A 85 -9.173 -3.601 0.491 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.369 -4.021 1.201 1.00 0.00 C ATOM 1253 C ASP A 85 -10.416 -5.549 1.256 1.00 0.00 C ATOM 1254 O ASP A 85 -10.617 -6.130 2.321 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.632 -3.535 0.487 1.00 0.00 C ATOM 1256 CG ASP A 85 -11.953 -2.051 0.679 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -11.024 -1.316 1.077 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -13.121 -1.686 0.424 1.00 0.00 O ATOM 0 H ASP A 85 -8.987 -4.113 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.333 -3.594 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.527 -3.734 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.479 -4.123 0.839 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.226 -6.157 0.094 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.244 -7.606 -0.004 1.00 0.00 C ATOM 1265 C TYR A 86 -9.493 -8.081 -1.250 1.00 0.00 C ATOM 1266 O TYR A 86 -9.192 -7.285 -2.139 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.716 -8.003 -0.129 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.501 -7.169 -1.143 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.212 -7.266 -2.489 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.499 -6.318 -0.712 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -12.951 -6.481 -3.443 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -14.239 -5.533 -1.666 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.928 -5.653 -2.985 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.626 -4.912 -3.886 1.00 0.00 O ATOM 0 H TYR A 86 -10.059 -5.672 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.762 -8.055 0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.776 -9.053 -0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.191 -7.910 0.848 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.431 -7.931 -2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.725 -6.241 0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.734 -6.548 -4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.023 -4.864 -1.342 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.292 -4.368 -3.416 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.212 -9.375 -1.275 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.502 -9.965 -2.397 1.00 0.00 C ATOM 1286 C ASP A 87 -9.341 -11.101 -2.987 1.00 0.00 C ATOM 1287 O ASP A 87 -9.164 -12.262 -2.623 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.160 -10.551 -1.954 1.00 0.00 C ATOM 1289 CG ASP A 87 -7.252 -11.640 -0.883 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -8.032 -11.433 0.071 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.540 -12.655 -1.044 1.00 0.00 O ATOM 0 H ASP A 87 -9.463 -10.032 -0.536 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.328 -9.181 -3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.655 -10.963 -2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.535 -9.742 -1.576 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.238 -10.725 -3.887 1.00 0.00 N ATOM 1297 CA ASP A 88 -11.106 -11.697 -4.530 1.00 0.00 C ATOM 1298 C ASP A 88 -10.466 -12.156 -5.842 1.00 0.00 C ATOM 1299 O ASP A 88 -10.695 -13.279 -6.289 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.470 -11.086 -4.857 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.321 -10.715 -3.641 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -12.854 -10.994 -2.515 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.419 -10.161 -3.864 1.00 0.00 O ATOM 0 H ASP A 88 -10.382 -9.761 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.241 -12.534 -3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.315 -10.191 -5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.029 -11.791 -5.471 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.677 -11.264 -6.422 1.00 0.00 N ATOM 1309 CA GLU A 89 -9.003 -11.563 -7.674 1.00 0.00 C ATOM 1310 C GLU A 89 -7.903 -12.602 -7.449 1.00 0.00 C ATOM 1311 O GLU A 89 -7.741 -13.523 -8.248 1.00 0.00 O ATOM 1312 CB GLU A 89 -8.434 -10.292 -8.308 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.084 -10.567 -8.973 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.225 -11.603 -10.091 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -8.353 -11.720 -10.617 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -6.202 -12.254 -10.394 1.00 0.00 O ATOM 0 H GLU A 89 -9.489 -10.334 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.734 -11.980 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.135 -9.905 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.317 -9.522 -7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.679 -9.640 -9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.374 -10.925 -8.228 1.00 0.00 H new ATOM 1323 N LEU A 90 -7.175 -12.420 -6.357 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.095 -13.331 -6.017 1.00 0.00 C ATOM 1325 C LEU A 90 -6.570 -14.773 -6.208 1.00 0.00 C ATOM 1326 O LEU A 90 -5.921 -15.557 -6.899 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.570 -13.038 -4.610 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.052 -13.110 -4.431 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.575 -12.101 -3.385 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.606 -14.535 -4.099 1.00 0.00 C ATOM 0 H LEU A 90 -7.312 -11.655 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.247 -13.183 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.903 -12.042 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.031 -13.742 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.583 -12.839 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.493 -12.173 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.842 -11.093 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.050 -12.317 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.523 -14.558 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.082 -14.859 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.894 -15.205 -4.909 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.698 -15.078 -5.585 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.268 -16.412 -5.678 1.00 0.00 C ATOM 1344 C LYS A 91 -8.095 -16.937 -7.104 1.00 0.00 C ATOM 1345 O LYS A 91 -7.661 -18.070 -7.304 1.00 0.00 O ATOM 1346 CB LYS A 91 -9.720 -16.409 -5.195 1.00 0.00 C ATOM 1347 CG LYS A 91 -9.802 -16.736 -3.703 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.238 -16.603 -3.191 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.316 -16.909 -1.694 1.00 0.00 C ATOM 1350 NZ LYS A 91 -11.789 -18.294 -1.472 1.00 0.00 N ATOM 0 H LYS A 91 -8.233 -14.424 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.739 -17.100 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.167 -15.433 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.298 -17.138 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.442 -17.750 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.149 -16.066 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.603 -15.593 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.888 -17.284 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.335 -16.776 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.992 -16.205 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.836 -18.485 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.734 -18.409 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.129 -18.962 -1.919 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.443 -16.088 -8.060 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.332 -16.452 -9.462 1.00 0.00 C ATOM 1366 C GLN A 92 -6.901 -16.887 -9.785 1.00 0.00 C ATOM 1367 O GLN A 92 -6.687 -17.962 -10.343 1.00 0.00 O ATOM 1368 CB GLN A 92 -8.771 -15.298 -10.365 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.038 -14.630 -9.825 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.114 -14.539 -10.908 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.076 -13.694 -11.788 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.073 -15.453 -10.797 1.00 0.00 N ATOM 0 H GLN A 92 -8.802 -15.148 -7.891 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.999 -17.293 -9.653 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.970 -14.562 -10.436 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.953 -15.670 -11.373 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.419 -15.197 -8.976 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.799 -13.631 -9.460 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.045 -16.132 -10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.837 -15.475 -11.473 1.00 0.00 H new ATOM 1381 N PHE A 93 -5.959 -16.030 -9.421 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.555 -16.312 -9.665 1.00 0.00 C ATOM 1383 C PHE A 93 -4.134 -17.622 -8.995 1.00 0.00 C ATOM 1384 O PHE A 93 -3.146 -18.237 -9.392 1.00 0.00 O ATOM 1385 CB PHE A 93 -3.754 -15.160 -9.055 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.253 -15.436 -8.944 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.571 -15.924 -10.014 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.602 -15.193 -7.775 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.178 -16.180 -9.912 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.209 -15.449 -7.672 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.474 -15.937 -8.743 1.00 0.00 C ATOM 0 H PHE A 93 -6.141 -15.139 -8.959 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.376 -16.409 -10.736 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.905 -14.266 -9.660 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.148 -14.943 -8.062 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.089 -16.117 -10.942 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.144 -14.805 -6.925 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.364 -16.567 -10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.308 -15.256 -6.744 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.533 -16.131 -8.665 1.00 0.00 H new ATOM 1401 N TRP A 94 -4.906 -18.009 -7.990 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.625 -19.234 -7.261 1.00 0.00 C ATOM 1403 C TRP A 94 -5.216 -20.402 -8.053 1.00 0.00 C ATOM 1404 O TRP A 94 -4.751 -21.534 -7.937 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.157 -19.153 -5.828 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.209 -18.458 -4.850 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -2.877 -18.334 -4.939 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.575 -17.792 -3.623 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.361 -17.640 -3.864 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.426 -17.300 -3.038 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -5.836 -17.612 -3.027 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.423 -16.595 -1.829 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -5.815 -16.906 -1.819 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.668 -16.404 -1.217 1.00 0.00 C ATOM 0 H TRP A 94 -5.725 -17.496 -7.664 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.550 -19.388 -7.165 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.109 -18.622 -5.834 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.357 -20.162 -5.468 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.283 -18.728 -5.750 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.378 -17.417 -3.705 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.748 -17.989 -3.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.510 -16.219 -1.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.758 -16.739 -1.319 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.736 -15.869 -0.281 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.234 -20.086 -8.841 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.893 -21.094 -9.652 1.00 0.00 C ATOM 1427 C ASN A 95 -6.181 -21.203 -11.002 1.00 0.00 C ATOM 1428 O ASN A 95 -6.570 -22.004 -11.851 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.353 -20.721 -9.917 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.163 -21.945 -10.349 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -8.737 -23.081 -10.219 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -10.351 -21.651 -10.869 1.00 0.00 N ATOM 0 H ASN A 95 -6.618 -19.146 -8.934 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.855 -22.039 -9.110 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.791 -20.290 -9.017 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.402 -19.956 -10.692 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.967 -22.399 -11.188 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.646 -20.678 -10.949 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.150 -20.385 -11.159 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.380 -20.379 -12.391 1.00 0.00 C ATOM 1441 C LYS A 96 -3.011 -21.013 -12.135 1.00 0.00 C ATOM 1442 O LYS A 96 -2.709 -22.081 -12.663 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.304 -18.964 -12.968 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.704 -18.380 -13.174 1.00 0.00 C ATOM 1445 CD LYS A 96 -5.814 -17.687 -14.534 1.00 0.00 C ATOM 1446 CE LYS A 96 -7.267 -17.331 -14.852 1.00 0.00 C ATOM 1447 NZ LYS A 96 -7.411 -16.962 -16.278 1.00 0.00 N ATOM 0 H LYS A 96 -4.830 -19.722 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.874 -20.983 -13.152 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.734 -18.323 -12.295 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.770 -18.983 -13.918 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.447 -19.174 -13.105 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.925 -17.667 -12.380 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.206 -16.783 -14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.417 -18.339 -15.312 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.914 -18.178 -14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.591 -16.503 -14.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.404 -16.723 -16.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.809 -16.140 -16.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.122 -17.763 -16.875 1.00 0.00 H new ATOM 1461 N SER A 97 -2.220 -20.326 -11.324 1.00 0.00 N ATOM 1462 CA SER A 97 -0.890 -20.809 -10.991 1.00 0.00 C ATOM 1463 C SER A 97 -0.787 -21.065 -9.486 1.00 0.00 C ATOM 1464 O SER A 97 -1.563 -20.516 -8.705 1.00 0.00 O ATOM 1465 CB SER A 97 0.184 -19.814 -11.435 1.00 0.00 C ATOM 1466 OG SER A 97 0.300 -19.751 -12.854 1.00 0.00 O ATOM 0 H SER A 97 -2.474 -19.440 -10.888 1.00 0.00 H new ATOM 0 HA SER A 97 -0.723 -21.745 -11.524 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.056 -18.824 -11.047 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.144 -20.101 -11.005 1.00 0.00 H new ATOM 0 HG SER A 97 1.247 -19.740 -13.105 1.00 0.00 H new ATOM 1472 N ALA A 98 0.177 -21.898 -9.124 1.00 0.00 N ATOM 1473 CA ALA A 98 0.391 -22.233 -7.726 1.00 0.00 C ATOM 1474 C ALA A 98 1.457 -21.304 -7.141 1.00 0.00 C ATOM 1475 O ALA A 98 2.652 -21.537 -7.315 1.00 0.00 O ATOM 1476 CB ALA A 98 0.776 -23.709 -7.608 1.00 0.00 C ATOM 0 H ALA A 98 0.819 -22.351 -9.774 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.524 -22.088 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.937 -23.960 -6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.026 -24.328 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.692 -23.892 -8.169 1.00 0.00 H new ATOM 1482 N HIS A 99 0.985 -20.270 -6.460 1.00 0.00 N ATOM 1483 CA HIS A 99 1.883 -19.305 -5.849 1.00 0.00 C ATOM 1484 C HIS A 99 1.200 -18.664 -4.638 1.00 0.00 C ATOM 1485 O HIS A 99 -0.017 -18.483 -4.631 1.00 0.00 O ATOM 1486 CB HIS A 99 2.355 -18.274 -6.876 1.00 0.00 C ATOM 1487 CG HIS A 99 3.272 -17.217 -6.309 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.483 -17.517 -5.710 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.143 -15.860 -6.258 1.00 0.00 C ATOM 1490 CE1 HIS A 99 5.048 -16.385 -5.319 1.00 0.00 C ATOM 1491 NE2 HIS A 99 4.216 -15.359 -5.658 1.00 0.00 N ATOM 0 H HIS A 99 -0.007 -20.080 -6.318 1.00 0.00 H new ATOM 0 HA HIS A 99 2.779 -19.813 -5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 99 2.871 -18.792 -7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.483 -17.787 -7.314 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.309 -15.290 -6.641 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.001 -16.291 -4.819 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.390 -14.370 -5.480 1.00 0.00 H new ATOM 1499 N ARG A 100 2.013 -18.340 -3.644 1.00 0.00 N ATOM 1500 CA ARG A 100 1.503 -17.724 -2.431 1.00 0.00 C ATOM 1501 C ARG A 100 2.213 -16.393 -2.172 1.00 0.00 C ATOM 1502 O ARG A 100 3.234 -16.353 -1.488 1.00 0.00 O ATOM 1503 CB ARG A 100 1.699 -18.642 -1.222 1.00 0.00 C ATOM 1504 CG ARG A 100 0.358 -19.180 -0.720 1.00 0.00 C ATOM 1505 CD ARG A 100 -0.114 -20.359 -1.573 1.00 0.00 C ATOM 1506 NE ARG A 100 -0.934 -21.280 -0.755 1.00 0.00 N ATOM 1507 CZ ARG A 100 -0.464 -21.978 0.289 1.00 0.00 C ATOM 1508 NH1 ARG A 100 0.822 -21.863 0.647 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -1.281 -22.790 0.974 1.00 0.00 N ATOM 0 H ARG A 100 3.022 -18.492 -3.654 1.00 0.00 H new ATOM 0 HA ARG A 100 0.436 -17.550 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.350 -19.473 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.198 -18.095 -0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.454 -19.494 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.389 -18.386 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.696 -19.996 -2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.746 -20.890 -1.982 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.918 -21.391 -1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.443 -21.245 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.180 -22.394 1.441 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.260 -22.877 0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.924 -23.321 1.768 1.00 0.00 H new ATOM 1523 N PRO A 101 1.628 -15.308 -2.747 1.00 0.00 N ATOM 1524 CA PRO A 101 2.194 -13.980 -2.586 1.00 0.00 C ATOM 1525 C PRO A 101 1.914 -13.431 -1.185 1.00 0.00 C ATOM 1526 O PRO A 101 1.254 -14.085 -0.379 1.00 0.00 O ATOM 1527 CB PRO A 101 1.560 -13.146 -3.688 1.00 0.00 C ATOM 1528 CG PRO A 101 0.323 -13.911 -4.131 1.00 0.00 C ATOM 1529 CD PRO A 101 0.418 -15.318 -3.564 1.00 0.00 C ATOM 0 HA PRO A 101 3.280 -13.972 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.296 -12.153 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.251 -13.007 -4.519 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.580 -13.416 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.262 -13.941 -5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.460 -15.565 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.483 -16.061 -4.358 1.00 0.00 H new ATOM 1537 N HIS A 102 2.429 -12.236 -0.939 1.00 0.00 N ATOM 1538 CA HIS A 102 2.243 -11.592 0.350 1.00 0.00 C ATOM 1539 C HIS A 102 1.042 -10.647 0.283 1.00 0.00 C ATOM 1540 O HIS A 102 1.143 -9.545 -0.255 1.00 0.00 O ATOM 1541 CB HIS A 102 3.527 -10.889 0.797 1.00 0.00 C ATOM 1542 CG HIS A 102 4.760 -11.757 0.725 1.00 0.00 C ATOM 1543 ND1 HIS A 102 4.858 -12.975 1.376 1.00 0.00 N ATOM 1544 CD2 HIS A 102 5.943 -11.573 0.073 1.00 0.00 C ATOM 1545 CE1 HIS A 102 6.051 -13.491 1.120 1.00 0.00 C ATOM 1546 NE2 HIS A 102 6.723 -12.620 0.314 1.00 0.00 N ATOM 0 H HIS A 102 2.975 -11.696 -1.611 1.00 0.00 H new ATOM 0 HA HIS A 102 2.027 -12.344 1.109 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.680 -10.006 0.177 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.400 -10.540 1.822 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.202 -10.720 -0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.426 -14.436 1.485 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.669 -12.751 -0.045 1.00 0.00 H new ATOM 1554 N VAL A 103 -0.068 -11.112 0.837 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.288 -10.322 0.847 1.00 0.00 C ATOM 1556 C VAL A 103 -1.271 -9.381 2.053 1.00 0.00 C ATOM 1557 O VAL A 103 -1.647 -9.774 3.157 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.508 -11.244 0.825 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.806 -10.434 0.784 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.435 -12.222 -0.349 1.00 0.00 C ATOM 0 H VAL A 103 -0.148 -12.026 1.282 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.350 -9.702 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.505 -11.826 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.658 -11.113 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.865 -9.797 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.820 -9.814 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.314 -12.866 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.401 -11.665 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.537 -12.833 -0.258 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.831 -8.156 1.802 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.761 -7.156 2.854 1.00 0.00 C ATOM 1572 C VAL A 104 -1.538 -5.911 2.421 1.00 0.00 C ATOM 1573 O VAL A 104 -2.029 -5.842 1.295 1.00 0.00 O ATOM 1574 CB VAL A 104 0.701 -6.860 3.197 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.398 -8.106 3.747 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.447 -6.304 1.983 1.00 0.00 C ATOM 0 H VAL A 104 -0.520 -7.834 0.886 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.226 -7.528 3.767 1.00 0.00 H new ATOM 0 HB VAL A 104 0.715 -6.098 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.435 -7.868 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.888 -8.439 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.368 -8.899 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.483 -6.102 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.419 -7.033 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.971 -5.380 1.655 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.624 -4.959 3.338 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.333 -3.720 3.065 1.00 0.00 C ATOM 1588 C GLY A 105 -1.355 -2.589 2.740 1.00 0.00 C ATOM 1589 O GLY A 105 -0.229 -2.575 3.235 1.00 0.00 O ATOM 0 H GLY A 105 -1.215 -5.020 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.018 -3.865 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.938 -3.445 3.929 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.821 -1.667 1.910 1.00 0.00 N ATOM 1594 CA ALA A 106 -1.002 -0.535 1.513 1.00 0.00 C ATOM 1595 C ALA A 106 -0.249 -0.002 2.734 1.00 0.00 C ATOM 1596 O ALA A 106 0.892 0.442 2.619 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.885 0.532 0.862 1.00 0.00 C ATOM 0 H ALA A 106 -2.756 -1.681 1.502 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.260 -0.839 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.270 1.381 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.374 0.113 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.641 0.863 1.574 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.919 -0.065 3.876 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.328 0.405 5.117 1.00 0.00 C ATOM 1605 C LYS A 107 1.151 0.012 5.154 1.00 0.00 C ATOM 1606 O LYS A 107 2.008 0.834 5.475 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.129 -0.102 6.318 1.00 0.00 C ATOM 1608 CG LYS A 107 -0.505 0.372 7.632 1.00 0.00 C ATOM 1609 CD LYS A 107 -1.511 1.176 8.458 1.00 0.00 C ATOM 1610 CE LYS A 107 -0.797 2.057 9.485 1.00 0.00 C ATOM 1611 NZ LYS A 107 -1.775 2.873 10.237 1.00 0.00 N ATOM 0 H LYS A 107 -1.865 -0.434 3.967 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.371 1.493 5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.157 0.254 6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.167 -1.191 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.162 -0.488 8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.371 0.985 7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.115 1.798 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.194 0.497 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.228 1.434 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.083 2.708 8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.274 3.465 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.300 3.482 9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.440 2.247 10.734 1.00 0.00 H new ATOM 1625 N TRP A 108 1.404 -1.245 4.821 1.00 0.00 N ATOM 1626 CA TRP A 108 2.764 -1.758 4.812 1.00 0.00 C ATOM 1627 C TRP A 108 3.578 -0.921 3.823 1.00 0.00 C ATOM 1628 O TRP A 108 4.516 -0.229 4.215 1.00 0.00 O ATOM 1629 CB TRP A 108 2.784 -3.253 4.488 1.00 0.00 C ATOM 1630 CG TRP A 108 4.170 -3.794 4.133 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.117 -4.249 4.966 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.731 -3.919 2.809 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.242 -4.656 4.278 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.000 -4.449 2.925 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.184 -3.595 1.555 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.829 -4.702 1.825 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.025 -3.854 0.466 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.305 -4.387 0.566 1.00 0.00 C ATOM 0 H TRP A 108 0.690 -1.924 4.555 1.00 0.00 H new ATOM 0 HA TRP A 108 3.217 -1.668 5.799 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.398 -3.805 5.345 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.107 -3.443 3.655 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.013 -4.292 6.040 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.094 -5.038 4.687 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.194 -3.179 1.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.819 -5.118 1.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.653 -3.623 -0.521 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.893 -4.557 -0.324 1.00 0.00 H new ATOM 1649 N LEU A 109 3.189 -1.012 2.559 1.00 0.00 N ATOM 1650 CA LEU A 109 3.871 -0.271 1.512 1.00 0.00 C ATOM 1651 C LEU A 109 4.263 1.110 2.041 1.00 0.00 C ATOM 1652 O LEU A 109 5.418 1.517 1.928 1.00 0.00 O ATOM 1653 CB LEU A 109 3.014 -0.224 0.245 1.00 0.00 C ATOM 1654 CG LEU A 109 3.648 -0.814 -1.016 1.00 0.00 C ATOM 1655 CD1 LEU A 109 2.942 -0.306 -2.275 1.00 0.00 C ATOM 1656 CD2 LEU A 109 5.153 -0.541 -1.053 1.00 0.00 C ATOM 0 H LEU A 109 2.411 -1.587 2.237 1.00 0.00 H new ATOM 0 HA LEU A 109 4.794 -0.776 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.082 -0.754 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.754 0.815 0.045 1.00 0.00 H new ATOM 0 HG LEU A 109 3.518 -1.896 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.413 -0.741 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.891 -0.595 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.018 0.780 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.579 -0.971 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.328 0.535 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.626 -0.992 -0.181 1.00 0.00 H new ATOM 1668 N LEU A 110 3.279 1.792 2.608 1.00 0.00 N ATOM 1669 CA LEU A 110 3.507 3.119 3.155 1.00 0.00 C ATOM 1670 C LEU A 110 4.666 3.062 4.152 1.00 0.00 C ATOM 1671 O LEU A 110 5.706 3.681 3.935 1.00 0.00 O ATOM 1672 CB LEU A 110 2.214 3.684 3.746 1.00 0.00 C ATOM 1673 CG LEU A 110 0.987 3.650 2.832 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.183 4.414 3.455 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.330 4.168 1.434 1.00 0.00 C ATOM 0 H LEU A 110 2.322 1.451 2.701 1.00 0.00 H new ATOM 0 HA LEU A 110 3.799 3.812 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.981 3.129 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.394 4.718 4.041 1.00 0.00 H new ATOM 0 HG LEU A 110 0.672 2.612 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.042 4.374 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.447 3.960 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.105 5.453 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.441 4.133 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.685 5.196 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.109 3.544 0.996 1.00 0.00 H new ATOM 1687 N GLU A 111 4.446 2.315 5.224 1.00 0.00 N ATOM 1688 CA GLU A 111 5.460 2.169 6.255 1.00 0.00 C ATOM 1689 C GLU A 111 6.833 1.936 5.621 1.00 0.00 C ATOM 1690 O GLU A 111 7.836 2.473 6.088 1.00 0.00 O ATOM 1691 CB GLU A 111 5.102 1.038 7.220 1.00 0.00 C ATOM 1692 CG GLU A 111 3.711 1.250 7.822 1.00 0.00 C ATOM 1693 CD GLU A 111 3.806 1.625 9.302 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.868 2.163 9.684 1.00 0.00 O ATOM 1695 OE2 GLU A 111 2.815 1.364 10.018 1.00 0.00 O ATOM 0 H GLU A 111 3.581 1.805 5.401 1.00 0.00 H new ATOM 0 HA GLU A 111 5.500 3.094 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.133 0.083 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.843 0.987 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.191 2.037 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.120 0.341 7.711 1.00 0.00 H new ATOM 1702 N CYS A 112 6.833 1.134 4.566 1.00 0.00 N ATOM 1703 CA CYS A 112 8.066 0.822 3.863 1.00 0.00 C ATOM 1704 C CYS A 112 8.657 2.128 3.328 1.00 0.00 C ATOM 1705 O CYS A 112 9.795 2.474 3.643 1.00 0.00 O ATOM 1706 CB CYS A 112 7.839 -0.200 2.748 1.00 0.00 C ATOM 1707 SG CYS A 112 7.128 -1.737 3.443 1.00 0.00 S ATOM 0 H CYS A 112 5.999 0.691 4.181 1.00 0.00 H new ATOM 0 HA CYS A 112 8.773 0.359 4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.167 0.213 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.782 -0.420 2.247 1.00 0.00 H new ATOM 0 HG CYS A 112 7.030 -2.632 2.506 1.00 0.00 H new ATOM 1713 N PHE A 113 7.857 2.819 2.529 1.00 0.00 N ATOM 1714 CA PHE A 113 8.287 4.079 1.947 1.00 0.00 C ATOM 1715 C PHE A 113 8.414 5.163 3.020 1.00 0.00 C ATOM 1716 O PHE A 113 8.964 6.233 2.764 1.00 0.00 O ATOM 1717 CB PHE A 113 7.212 4.497 0.942 1.00 0.00 C ATOM 1718 CG PHE A 113 7.357 3.841 -0.433 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.262 4.325 -1.325 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.582 2.773 -0.762 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.396 3.716 -2.601 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.716 2.164 -2.038 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.621 2.648 -2.930 1.00 0.00 C ATOM 0 H PHE A 113 6.913 2.530 2.271 1.00 0.00 H new ATOM 0 HA PHE A 113 9.261 3.957 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.232 4.249 1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.243 5.580 0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.879 5.172 -1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.864 2.388 -0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.114 4.101 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 113 6.099 1.317 -2.300 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.724 2.184 -3.900 1.00 0.00 H new ATOM 1733 N SER A 114 7.895 4.848 4.198 1.00 0.00 N ATOM 1734 CA SER A 114 7.944 5.782 5.310 1.00 0.00 C ATOM 1735 C SER A 114 9.241 5.590 6.098 1.00 0.00 C ATOM 1736 O SER A 114 9.916 6.561 6.435 1.00 0.00 O ATOM 1737 CB SER A 114 6.734 5.607 6.230 1.00 0.00 C ATOM 1738 OG SER A 114 6.706 6.583 7.267 1.00 0.00 O ATOM 0 H SER A 114 7.439 3.960 4.406 1.00 0.00 H new ATOM 0 HA SER A 114 7.917 6.795 4.907 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.819 5.676 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.755 4.610 6.671 1.00 0.00 H new ATOM 0 HG SER A 114 5.918 6.438 7.831 1.00 0.00 H new ATOM 1744 N LYS A 115 9.551 4.331 6.369 1.00 0.00 N ATOM 1745 CA LYS A 115 10.755 3.999 7.111 1.00 0.00 C ATOM 1746 C LYS A 115 11.969 4.127 6.188 1.00 0.00 C ATOM 1747 O LYS A 115 13.095 4.290 6.657 1.00 0.00 O ATOM 1748 CB LYS A 115 10.621 2.621 7.762 1.00 0.00 C ATOM 1749 CG LYS A 115 9.238 2.444 8.391 1.00 0.00 C ATOM 1750 CD LYS A 115 9.338 2.327 9.913 1.00 0.00 C ATOM 1751 CE LYS A 115 8.364 1.276 10.448 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.048 1.537 11.870 1.00 0.00 N ATOM 0 H LYS A 115 8.989 3.528 6.088 1.00 0.00 H new ATOM 0 HA LYS A 115 10.902 4.701 7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.787 1.844 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.390 2.499 8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.604 3.291 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.761 1.552 7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.357 2.060 10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.123 3.293 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.448 1.287 9.858 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.799 0.282 10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.386 0.814 12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.923 1.503 12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.613 2.477 11.962 1.00 0.00 H new ATOM 1766 N GLY A 116 11.699 4.049 4.893 1.00 0.00 N ATOM 1767 CA GLY A 116 12.755 4.155 3.901 1.00 0.00 C ATOM 1768 C GLY A 116 13.194 2.771 3.418 1.00 0.00 C ATOM 1769 O GLY A 116 13.865 2.651 2.395 1.00 0.00 O ATOM 0 H GLY A 116 10.764 3.914 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.406 4.746 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.608 4.683 4.328 1.00 0.00 H new ATOM 1773 N TYR A 117 12.796 1.761 4.178 1.00 0.00 N ATOM 1774 CA TYR A 117 13.140 0.390 3.840 1.00 0.00 C ATOM 1775 C TYR A 117 11.922 -0.527 3.965 1.00 0.00 C ATOM 1776 O TYR A 117 10.917 -0.153 4.567 1.00 0.00 O ATOM 1777 CB TYR A 117 14.196 -0.043 4.860 1.00 0.00 C ATOM 1778 CG TYR A 117 13.862 0.341 6.303 1.00 0.00 C ATOM 1779 CD1 TYR A 117 12.979 -0.427 7.034 1.00 0.00 C ATOM 1780 CD2 TYR A 117 14.445 1.454 6.873 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.665 -0.065 8.392 1.00 0.00 C ATOM 1782 CE2 TYR A 117 14.131 1.816 8.231 1.00 0.00 C ATOM 1783 CZ TYR A 117 13.256 1.038 8.923 1.00 0.00 C ATOM 1784 OH TYR A 117 12.960 1.379 10.206 1.00 0.00 O ATOM 0 H TYR A 117 12.239 1.865 5.026 1.00 0.00 H new ATOM 0 HA TYR A 117 13.499 0.326 2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.320 -1.124 4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 117 15.153 0.403 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 117 12.524 -1.299 6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 117 15.137 2.054 6.301 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.975 -0.657 8.976 1.00 0.00 H new ATOM 0 HE2 TYR A 117 14.580 2.685 8.689 1.00 0.00 H new ATOM 0 HH TYR A 117 13.456 2.188 10.452 1.00 0.00 H new ATOM 1794 N MET A 118 12.051 -1.712 3.385 1.00 0.00 N ATOM 1795 CA MET A 118 10.974 -2.685 3.423 1.00 0.00 C ATOM 1796 C MET A 118 10.853 -3.315 4.812 1.00 0.00 C ATOM 1797 O MET A 118 11.856 -3.688 5.418 1.00 0.00 O ATOM 1798 CB MET A 118 11.237 -3.780 2.387 1.00 0.00 C ATOM 1799 CG MET A 118 10.974 -3.268 0.970 1.00 0.00 C ATOM 1800 SD MET A 118 11.581 -4.445 -0.227 1.00 0.00 S ATOM 1801 CE MET A 118 10.036 -5.122 -0.809 1.00 0.00 C ATOM 0 H MET A 118 12.886 -2.019 2.886 1.00 0.00 H new ATOM 0 HA MET A 118 10.039 -2.173 3.194 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.269 -4.122 2.468 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.599 -4.640 2.591 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.906 -3.107 0.825 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.464 -2.305 0.826 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.181 -6.162 -1.100 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.293 -5.068 -0.014 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.689 -4.549 -1.669 1.00 0.00 H new ATOM 1811 N LEU A 119 9.616 -3.415 5.276 1.00 0.00 N ATOM 1812 CA LEU A 119 9.351 -3.993 6.583 1.00 0.00 C ATOM 1813 C LEU A 119 8.671 -5.352 6.406 1.00 0.00 C ATOM 1814 O LEU A 119 8.380 -5.763 5.283 1.00 0.00 O ATOM 1815 CB LEU A 119 8.556 -3.016 7.450 1.00 0.00 C ATOM 1816 CG LEU A 119 8.740 -1.531 7.129 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.595 -0.698 7.710 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.107 -1.034 7.601 1.00 0.00 C ATOM 0 H LEU A 119 8.786 -3.106 4.770 1.00 0.00 H new ATOM 0 HA LEU A 119 10.284 -4.170 7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.497 -3.259 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.831 -3.179 8.492 1.00 0.00 H new ATOM 0 HG LEU A 119 8.709 -1.409 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.750 0.353 7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.649 -1.033 7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.569 -0.821 8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.212 0.024 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.192 -1.172 8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.893 -1.600 7.100 1.00 0.00 H new ATOM 1830 N SER A 120 8.437 -6.012 7.530 1.00 0.00 N ATOM 1831 CA SER A 120 7.796 -7.316 7.513 1.00 0.00 C ATOM 1832 C SER A 120 6.344 -7.180 7.052 1.00 0.00 C ATOM 1833 O SER A 120 5.687 -6.181 7.343 1.00 0.00 O ATOM 1834 CB SER A 120 7.855 -7.977 8.892 1.00 0.00 C ATOM 1835 OG SER A 120 9.162 -7.918 9.457 1.00 0.00 O ATOM 0 H SER A 120 8.680 -5.668 8.459 1.00 0.00 H new ATOM 0 HA SER A 120 8.335 -7.952 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.149 -7.485 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.543 -9.018 8.809 1.00 0.00 H new ATOM 0 HG SER A 120 9.158 -8.349 10.337 1.00 0.00 H new ATOM 1841 N GLU A 121 5.884 -8.198 6.340 1.00 0.00 N ATOM 1842 CA GLU A 121 4.522 -8.204 5.835 1.00 0.00 C ATOM 1843 C GLU A 121 3.603 -8.958 6.798 1.00 0.00 C ATOM 1844 O GLU A 121 2.382 -8.920 6.655 1.00 0.00 O ATOM 1845 CB GLU A 121 4.460 -8.809 4.431 1.00 0.00 C ATOM 1846 CG GLU A 121 4.801 -7.764 3.368 1.00 0.00 C ATOM 1847 CD GLU A 121 6.071 -8.150 2.607 1.00 0.00 C ATOM 1848 OE1 GLU A 121 6.254 -9.367 2.390 1.00 0.00 O ATOM 1849 OE2 GLU A 121 6.829 -7.219 2.259 1.00 0.00 O ATOM 0 H GLU A 121 6.431 -9.025 6.101 1.00 0.00 H new ATOM 0 HA GLU A 121 4.176 -7.173 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.156 -9.645 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.463 -9.208 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.970 -7.666 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.937 -6.791 3.840 1.00 0.00 H new ATOM 1856 N GLU A 122 4.225 -9.626 7.759 1.00 0.00 N ATOM 1857 CA GLU A 122 3.478 -10.388 8.745 1.00 0.00 C ATOM 1858 C GLU A 122 2.604 -9.455 9.586 1.00 0.00 C ATOM 1859 O GLU A 122 1.445 -9.762 9.859 1.00 0.00 O ATOM 1860 CB GLU A 122 4.418 -11.207 9.632 1.00 0.00 C ATOM 1861 CG GLU A 122 4.828 -12.509 8.942 1.00 0.00 C ATOM 1862 CD GLU A 122 5.491 -13.469 9.931 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.349 -12.987 10.701 1.00 0.00 O ATOM 1864 OE2 GLU A 122 5.125 -14.663 9.896 1.00 0.00 O ATOM 0 H GLU A 122 5.238 -9.655 7.875 1.00 0.00 H new ATOM 0 HA GLU A 122 2.828 -11.087 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.306 -10.620 9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.926 -11.432 10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.951 -12.983 8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.516 -12.291 8.125 1.00 0.00 H new ATOM 1871 N PRO A 123 3.210 -8.304 9.984 1.00 0.00 N ATOM 1872 CA PRO A 123 2.500 -7.324 10.789 1.00 0.00 C ATOM 1873 C PRO A 123 1.496 -6.542 9.940 1.00 0.00 C ATOM 1874 O PRO A 123 0.825 -5.640 10.439 1.00 0.00 O ATOM 1875 CB PRO A 123 3.586 -6.443 11.385 1.00 0.00 C ATOM 1876 CG PRO A 123 4.823 -6.669 10.529 1.00 0.00 C ATOM 1877 CD PRO A 123 4.582 -7.907 9.680 1.00 0.00 C ATOM 0 HA PRO A 123 1.900 -7.781 11.576 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.289 -5.394 11.373 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.777 -6.708 12.425 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.012 -5.802 9.895 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.703 -6.803 11.158 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.705 -7.690 8.619 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.288 -8.700 9.927 1.00 0.00 H new ATOM 1885 N TYR A 124 1.423 -6.917 8.671 1.00 0.00 N ATOM 1886 CA TYR A 124 0.512 -6.262 7.748 1.00 0.00 C ATOM 1887 C TYR A 124 -0.165 -7.281 6.829 1.00 0.00 C ATOM 1888 O TYR A 124 -0.288 -7.053 5.627 1.00 0.00 O ATOM 1889 CB TYR A 124 1.372 -5.322 6.901 1.00 0.00 C ATOM 1890 CG TYR A 124 2.068 -4.222 7.705 1.00 0.00 C ATOM 1891 CD1 TYR A 124 3.310 -4.455 8.261 1.00 0.00 C ATOM 1892 CD2 TYR A 124 1.455 -2.997 7.874 1.00 0.00 C ATOM 1893 CE1 TYR A 124 3.966 -3.419 9.018 1.00 0.00 C ATOM 1894 CE2 TYR A 124 2.111 -1.962 8.631 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.334 -2.224 9.165 1.00 0.00 C ATOM 1896 OH TYR A 124 3.953 -1.247 9.880 1.00 0.00 O ATOM 0 H TYR A 124 1.980 -7.666 8.261 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.271 -5.735 8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.127 -5.909 6.378 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.744 -4.859 6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 124 3.790 -5.413 8.129 1.00 0.00 H new ATOM 0 HD2 TYR A 124 0.484 -2.815 7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.937 -3.588 9.459 1.00 0.00 H new ATOM 0 HE2 TYR A 124 1.642 -0.999 8.771 1.00 0.00 H new ATOM 0 HH TYR A 124 3.279 -0.669 10.295 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.585 -8.385 7.431 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.245 -9.440 6.682 1.00 0.00 C ATOM 1908 C ILE A 125 -2.745 -9.146 6.609 1.00 0.00 C ATOM 1909 O ILE A 125 -3.307 -8.539 7.519 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.915 -10.809 7.280 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.594 -11.060 7.275 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.684 -11.921 6.563 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.118 -11.226 5.847 1.00 0.00 C ATOM 0 H ILE A 125 -0.481 -8.571 8.428 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.875 -9.468 5.657 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.239 -10.814 8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.106 -10.229 7.760 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.819 -11.955 7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.431 -12.883 7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.755 -11.745 6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.414 -11.927 5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.193 -11.403 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.622 -12.073 5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.913 -10.320 5.277 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.350 -9.590 5.517 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.774 -9.382 5.314 1.00 0.00 C ATOM 1927 C HIS A 126 -5.497 -10.730 5.332 1.00 0.00 C ATOM 1928 O HIS A 126 -5.403 -11.502 4.380 1.00 0.00 O ATOM 1929 CB HIS A 126 -5.029 -8.589 4.030 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.438 -8.061 3.905 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -7.529 -8.690 4.479 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -6.922 -6.956 3.267 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -8.616 -7.988 4.193 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -8.238 -6.914 3.441 1.00 0.00 N ATOM 0 H HIS A 126 -2.880 -10.093 4.764 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.178 -8.782 6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.333 -7.751 3.988 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.813 -9.226 3.172 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -6.335 -6.238 2.714 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -9.624 -8.224 4.501 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -8.863 -6.197 3.073 1.00 0.00 H new ATOM 1942 N SER A 127 -6.204 -10.971 6.427 1.00 0.00 N ATOM 1943 CA SER A 127 -6.943 -12.212 6.582 1.00 0.00 C ATOM 1944 C SER A 127 -8.441 -11.920 6.685 1.00 0.00 C ATOM 1945 O SER A 127 -9.226 -12.383 5.859 1.00 0.00 O ATOM 1946 CB SER A 127 -6.468 -12.987 7.813 1.00 0.00 C ATOM 1947 OG SER A 127 -6.947 -14.328 7.818 1.00 0.00 O ATOM 0 H SER A 127 -6.280 -10.328 7.215 1.00 0.00 H new ATOM 0 HA SER A 127 -6.759 -12.831 5.704 1.00 0.00 H new ATOM 0 HB2 SER A 127 -5.378 -12.991 7.840 1.00 0.00 H new ATOM 0 HB3 SER A 127 -6.807 -12.478 8.715 1.00 0.00 H new ATOM 0 HG SER A 127 -6.620 -14.789 8.619 1.00 0.00 H new