USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 878 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 77 GLN :FLIP amide:sc= 0.985 F(o=-0.67,f=2.2) USER MOD Set 1.2: A 81 SER OG : rot 126:sc= 1.21 USER MOD Set 2.1: A 70 HIS : no HD1:sc= -0.138 X(o=-0.26,f=-0.13) USER MOD Set 2.2: A 76 TYR OH : rot 30:sc= -0.124 USER MOD Set 3.1: A 62 MET CE :methyl 170:sc= -0.37 (180deg=-0.936) USER MOD Set 3.2: A 66 LYS NZ :NH3+ -137:sc= 1.21 (180deg=1.07) USER MOD Set 3.3: A 88 MET CE :methyl -175:sc= -1.65 (180deg=-1.75) USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -2.38 F(o=-7.3!,f=-4.2) USER MOD Set 4.2: A 71 MET CE :methyl -165:sc= -1.06! (180deg=-2.47!) USER MOD Set 4.3: A 72 MET CE :methyl -130:sc= -0.726 (180deg=0) USER MOD Set 5.1: A 17 GLN : amide:sc= -1.22 K(o=-2.4,f=-3.9!) USER MOD Set 5.2: A 74 ASN :FLIP amide:sc= -1.18 F(o=-3.4!,f=-2.4) USER MOD Single : A 16 MET CE :methyl 157:sc= -0.0881 (180deg=-0.518) USER MOD Single : A 18 GLN : amide:sc=-0.00188 X(o=-0.0019,f=-0.3) USER MOD Single : A 19 LYS NZ :NH3+ -148:sc= -0.256 (180deg=-1.41!) USER MOD Single : A 24 TYR OH : rot 15:sc= -1.35 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0715) USER MOD Single : A 39 SER OG : rot -138:sc= 0.202 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -140:sc= -0.954 (180deg=-2.72) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -166:sc=-0.00293 (180deg=-0.12) USER MOD Single : A 82 MET CE :methyl -124:sc= -1.9 (180deg=-5.69!) USER MOD Single : A 89 MET CE :methyl -147:sc= 0 (180deg=-1.49) USER MOD Single : A 91 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.2) USER MOD Single : A 92 ASN : amide:sc= -4.57 K(o=-4.6,f=-9.8!) USER MOD Single : A 94 CYS SG : rot 40:sc= -1.47! USER MOD Single : A 95 THR OG1 : rot -81:sc= 1.28 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 1.21 K(o=1.2,f=-0.057) USER MOD Single : A 101 SER OG : rot -62:sc= 0.795 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0912 X(o=-0.091,f=-0.48) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 38:sc= 0.0377 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -6.548 18.569 3.161 1.00 0.00 N ATOM 196 CA PRO A 15 -7.680 17.642 3.075 1.00 0.00 C ATOM 197 C PRO A 15 -7.292 16.310 2.444 1.00 0.00 C ATOM 198 O PRO A 15 -8.068 15.355 2.462 1.00 0.00 O ATOM 199 CB PRO A 15 -8.680 18.385 2.185 1.00 0.00 C ATOM 200 CG PRO A 15 -7.845 19.304 1.363 1.00 0.00 C ATOM 201 CD PRO A 15 -6.689 19.707 2.236 1.00 0.00 C ATOM 0 HA PRO A 15 -8.073 17.386 4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.242 17.693 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.407 18.937 2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.496 18.808 0.457 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.419 20.176 1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.782 19.866 1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.893 20.636 2.769 1.00 0.00 H new ATOM 209 N MET A 16 -6.086 16.253 1.888 1.00 0.00 N ATOM 210 CA MET A 16 -5.595 15.035 1.253 1.00 0.00 C ATOM 211 C MET A 16 -4.974 14.097 2.282 1.00 0.00 C ATOM 212 O MET A 16 -4.832 12.899 2.037 1.00 0.00 O ATOM 213 CB MET A 16 -4.568 15.377 0.172 1.00 0.00 C ATOM 214 CG MET A 16 -5.188 15.916 -1.107 1.00 0.00 C ATOM 215 SD MET A 16 -4.133 15.667 -2.549 1.00 0.00 S ATOM 216 CE MET A 16 -4.238 13.889 -2.742 1.00 0.00 C ATOM 0 H MET A 16 -5.431 17.035 1.864 1.00 0.00 H new ATOM 0 HA MET A 16 -6.443 14.529 0.792 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.870 16.115 0.567 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.989 14.484 -0.063 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.148 15.427 -1.275 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.389 16.981 -0.988 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.004 13.620 -3.772 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.527 13.408 -2.071 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.247 13.556 -2.501 1.00 0.00 H new ATOM 226 N GLN A 17 -4.606 14.650 3.434 1.00 0.00 N ATOM 227 CA GLN A 17 -3.999 13.861 4.500 1.00 0.00 C ATOM 228 C GLN A 17 -4.974 12.811 5.022 1.00 0.00 C ATOM 229 O GLN A 17 -4.568 11.724 5.431 1.00 0.00 O ATOM 230 CB GLN A 17 -3.550 14.771 5.644 1.00 0.00 C ATOM 231 CG GLN A 17 -2.795 14.040 6.742 1.00 0.00 C ATOM 232 CD GLN A 17 -1.341 13.796 6.389 1.00 0.00 C ATOM 233 OE1 GLN A 17 -0.695 14.632 5.757 1.00 0.00 O ATOM 234 NE2 GLN A 17 -0.818 12.646 6.796 1.00 0.00 N ATOM 0 H GLN A 17 -4.717 15.640 3.653 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.128 13.350 4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.915 15.560 5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.425 15.255 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.849 14.621 7.663 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.282 13.085 6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.390 11.982 7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.156 12.427 6.587 1.00 0.00 H new ATOM 243 N GLN A 18 -6.260 13.144 5.005 1.00 0.00 N ATOM 244 CA GLN A 18 -7.292 12.229 5.479 1.00 0.00 C ATOM 245 C GLN A 18 -7.538 11.115 4.467 1.00 0.00 C ATOM 246 O GLN A 18 -7.558 9.936 4.818 1.00 0.00 O ATOM 247 CB GLN A 18 -8.593 12.988 5.746 1.00 0.00 C ATOM 248 CG GLN A 18 -8.488 13.993 6.882 1.00 0.00 C ATOM 249 CD GLN A 18 -9.839 14.533 7.310 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.800 13.780 7.468 1.00 0.00 O ATOM 251 NE2 GLN A 18 -9.919 15.845 7.499 1.00 0.00 N ATOM 0 H GLN A 18 -6.613 14.040 4.668 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.944 11.780 6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.893 13.509 4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.381 12.272 5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.002 13.521 7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.852 14.822 6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.097 16.432 7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.802 16.266 7.787 1.00 0.00 H new ATOM 260 N LYS A 19 -7.726 11.498 3.208 1.00 0.00 N ATOM 261 CA LYS A 19 -7.971 10.532 2.143 1.00 0.00 C ATOM 262 C LYS A 19 -6.914 9.433 2.152 1.00 0.00 C ATOM 263 O LYS A 19 -7.236 8.248 2.255 1.00 0.00 O ATOM 264 CB LYS A 19 -7.980 11.234 0.783 1.00 0.00 C ATOM 265 CG LYS A 19 -8.068 10.277 -0.394 1.00 0.00 C ATOM 266 CD LYS A 19 -9.476 9.735 -0.567 1.00 0.00 C ATOM 267 CE LYS A 19 -10.318 10.641 -1.453 1.00 0.00 C ATOM 268 NZ LYS A 19 -10.936 11.753 -0.680 1.00 0.00 N ATOM 0 H LYS A 19 -7.713 12.470 2.900 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.946 10.076 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.824 11.923 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.075 11.833 0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.760 10.790 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.374 9.450 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.432 8.737 -1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.951 9.635 0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.695 11.053 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.101 10.054 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.854 12.000 -1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.077 11.454 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.309 12.583 -0.704 1.00 0.00 H new ATOM 282 N LEU A 20 -5.651 9.831 2.046 1.00 0.00 N ATOM 283 CA LEU A 20 -4.546 8.879 2.044 1.00 0.00 C ATOM 284 C LEU A 20 -4.772 7.780 3.077 1.00 0.00 C ATOM 285 O LEU A 20 -4.530 6.604 2.810 1.00 0.00 O ATOM 286 CB LEU A 20 -3.226 9.599 2.329 1.00 0.00 C ATOM 287 CG LEU A 20 -2.626 10.387 1.165 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.663 11.447 1.677 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.924 9.451 0.192 1.00 0.00 C ATOM 0 H LEU A 20 -5.367 10.807 1.960 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.497 8.420 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.381 10.283 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.495 8.859 2.656 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.436 10.888 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.246 11.998 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.195 12.136 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.856 10.968 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.503 10.030 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.124 8.921 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.641 8.731 -0.201 1.00 0.00 H new ATOM 301 N ASN A 21 -5.240 8.172 4.258 1.00 0.00 N ATOM 302 CA ASN A 21 -5.501 7.219 5.331 1.00 0.00 C ATOM 303 C ASN A 21 -6.751 6.396 5.035 1.00 0.00 C ATOM 304 O ASN A 21 -6.718 5.166 5.071 1.00 0.00 O ATOM 305 CB ASN A 21 -5.663 7.953 6.664 1.00 0.00 C ATOM 306 CG ASN A 21 -5.317 7.076 7.852 1.00 0.00 C ATOM 307 OD1 ASN A 21 -4.720 7.676 8.876 1.00 0.00 O flip ATOM 308 ND2 ASN A 21 -5.583 5.874 7.850 1.00 0.00 N flip ATOM 0 H ASN A 21 -5.446 9.142 4.496 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.650 6.542 5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.024 8.836 6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.691 8.302 6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.042 5.455 7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.344 5.297 8.657 1.00 0.00 H new ATOM 315 N GLU A 22 -7.850 7.083 4.743 1.00 0.00 N ATOM 316 CA GLU A 22 -9.111 6.415 4.441 1.00 0.00 C ATOM 317 C GLU A 22 -8.881 5.194 3.555 1.00 0.00 C ATOM 318 O GLU A 22 -9.311 4.087 3.879 1.00 0.00 O ATOM 319 CB GLU A 22 -10.075 7.383 3.754 1.00 0.00 C ATOM 320 CG GLU A 22 -10.846 8.264 4.723 1.00 0.00 C ATOM 321 CD GLU A 22 -12.075 8.890 4.091 1.00 0.00 C ATOM 322 OE1 GLU A 22 -11.991 9.306 2.916 1.00 0.00 O ATOM 323 OE2 GLU A 22 -13.120 8.963 4.771 1.00 0.00 O ATOM 0 H GLU A 22 -7.893 8.102 4.709 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.551 6.083 5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.513 8.017 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.783 6.812 3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.148 7.671 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.190 9.053 5.092 1.00 0.00 H new ATOM 330 N VAL A 23 -8.198 5.404 2.434 1.00 0.00 N ATOM 331 CA VAL A 23 -7.910 4.322 1.500 1.00 0.00 C ATOM 332 C VAL A 23 -7.112 3.212 2.175 1.00 0.00 C ATOM 333 O VAL A 23 -7.438 2.032 2.045 1.00 0.00 O ATOM 334 CB VAL A 23 -7.126 4.831 0.276 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.667 3.666 -0.587 1.00 0.00 C ATOM 336 CG2 VAL A 23 -7.973 5.803 -0.533 1.00 0.00 C ATOM 0 H VAL A 23 -7.834 6.314 2.151 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.870 3.926 1.168 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.241 5.361 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.115 4.045 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.021 3.012 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.535 3.105 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.403 6.153 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.877 5.300 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.246 6.654 0.091 1.00 0.00 H new ATOM 346 N TYR A 24 -6.066 3.598 2.896 1.00 0.00 N ATOM 347 CA TYR A 24 -5.219 2.635 3.590 1.00 0.00 C ATOM 348 C TYR A 24 -6.045 1.763 4.532 1.00 0.00 C ATOM 349 O TYR A 24 -6.000 0.536 4.457 1.00 0.00 O ATOM 350 CB TYR A 24 -4.125 3.360 4.376 1.00 0.00 C ATOM 351 CG TYR A 24 -3.260 2.435 5.202 1.00 0.00 C ATOM 352 CD1 TYR A 24 -3.775 1.773 6.310 1.00 0.00 C ATOM 353 CD2 TYR A 24 -1.926 2.222 4.874 1.00 0.00 C ATOM 354 CE1 TYR A 24 -2.987 0.928 7.067 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.132 1.378 5.625 1.00 0.00 C ATOM 356 CZ TYR A 24 -1.666 0.734 6.721 1.00 0.00 C ATOM 357 OH TYR A 24 -0.879 -0.108 7.472 1.00 0.00 O ATOM 0 H TYR A 24 -5.784 4.571 3.015 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.755 1.992 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.492 3.910 3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.588 4.095 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.809 1.922 6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.503 2.725 4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.403 0.422 7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.098 1.223 5.355 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.448 -0.659 8.049 1.00 0.00 H new ATOM 367 N GLU A 25 -6.799 2.408 5.416 1.00 0.00 N ATOM 368 CA GLU A 25 -7.635 1.692 6.373 1.00 0.00 C ATOM 369 C GLU A 25 -8.629 0.784 5.654 1.00 0.00 C ATOM 370 O GLU A 25 -8.677 -0.420 5.902 1.00 0.00 O ATOM 371 CB GLU A 25 -8.385 2.681 7.268 1.00 0.00 C ATOM 372 CG GLU A 25 -7.588 3.131 8.480 1.00 0.00 C ATOM 373 CD GLU A 25 -8.473 3.569 9.631 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.394 2.808 9.995 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.244 4.673 10.167 1.00 0.00 O ATOM 0 H GLU A 25 -6.848 3.424 5.490 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.986 1.073 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.659 3.556 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.314 2.221 7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.945 2.315 8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.935 3.956 8.195 1.00 0.00 H new ATOM 382 N ALA A 26 -9.420 1.372 4.762 1.00 0.00 N ATOM 383 CA ALA A 26 -10.411 0.617 4.006 1.00 0.00 C ATOM 384 C ALA A 26 -9.856 -0.735 3.569 1.00 0.00 C ATOM 385 O ALA A 26 -10.539 -1.755 3.657 1.00 0.00 O ATOM 386 CB ALA A 26 -10.873 1.416 2.796 1.00 0.00 C ATOM 0 H ALA A 26 -9.393 2.368 4.546 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.267 0.436 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.613 0.840 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.318 2.354 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.019 1.627 2.152 1.00 0.00 H new ATOM 392 N VAL A 27 -8.613 -0.734 3.098 1.00 0.00 N ATOM 393 CA VAL A 27 -7.966 -1.961 2.647 1.00 0.00 C ATOM 394 C VAL A 27 -7.817 -2.956 3.793 1.00 0.00 C ATOM 395 O VAL A 27 -7.962 -4.164 3.604 1.00 0.00 O ATOM 396 CB VAL A 27 -6.578 -1.675 2.046 1.00 0.00 C ATOM 397 CG1 VAL A 27 -5.844 -2.974 1.753 1.00 0.00 C ATOM 398 CG2 VAL A 27 -6.706 -0.830 0.787 1.00 0.00 C ATOM 0 H VAL A 27 -8.034 0.102 3.019 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.605 -2.392 1.876 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.995 -1.113 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.865 -2.751 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.719 -3.538 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.421 -3.566 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.715 -0.638 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.307 -1.363 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.187 0.117 1.032 1.00 0.00 H new ATOM 408 N LYS A 28 -7.525 -2.441 4.982 1.00 0.00 N ATOM 409 CA LYS A 28 -7.357 -3.282 6.161 1.00 0.00 C ATOM 410 C LYS A 28 -8.706 -3.777 6.673 1.00 0.00 C ATOM 411 O LYS A 28 -8.883 -4.965 6.936 1.00 0.00 O ATOM 412 CB LYS A 28 -6.632 -2.510 7.265 1.00 0.00 C ATOM 413 CG LYS A 28 -5.852 -3.400 8.218 1.00 0.00 C ATOM 414 CD LYS A 28 -5.153 -2.586 9.294 1.00 0.00 C ATOM 415 CE LYS A 28 -6.044 -2.392 10.512 1.00 0.00 C ATOM 416 NZ LYS A 28 -5.277 -1.893 11.686 1.00 0.00 N ATOM 0 H LYS A 28 -7.400 -1.444 5.155 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.757 -4.146 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.949 -1.795 6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.362 -1.934 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.528 -4.117 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.114 -3.975 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.232 -3.088 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.870 -1.614 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.839 -1.687 10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.523 -3.338 10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.919 -1.774 12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.534 -2.578 11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.841 -0.978 11.452 1.00 0.00 H new ATOM 430 N ASN A 29 -9.655 -2.856 6.812 1.00 0.00 N ATOM 431 CA ASN A 29 -10.989 -3.199 7.292 1.00 0.00 C ATOM 432 C ASN A 29 -11.692 -4.139 6.318 1.00 0.00 C ATOM 433 O ASN A 29 -12.428 -5.038 6.727 1.00 0.00 O ATOM 434 CB ASN A 29 -11.824 -1.933 7.490 1.00 0.00 C ATOM 435 CG ASN A 29 -11.249 -1.022 8.558 1.00 0.00 C ATOM 436 OD1 ASN A 29 -11.126 -1.410 9.719 1.00 0.00 O ATOM 437 ND2 ASN A 29 -10.894 0.197 8.167 1.00 0.00 N ATOM 0 H ASN A 29 -9.525 -1.867 6.599 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.884 -3.709 8.249 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.884 -1.390 6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.842 -2.211 7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.501 0.854 8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.014 0.475 7.193 1.00 0.00 H new ATOM 444 N TYR A 30 -11.462 -3.925 5.027 1.00 0.00 N ATOM 445 CA TYR A 30 -12.075 -4.752 3.994 1.00 0.00 C ATOM 446 C TYR A 30 -12.219 -6.195 4.466 1.00 0.00 C ATOM 447 O TYR A 30 -11.331 -6.739 5.123 1.00 0.00 O ATOM 448 CB TYR A 30 -11.242 -4.703 2.712 1.00 0.00 C ATOM 449 CG TYR A 30 -11.906 -5.376 1.533 1.00 0.00 C ATOM 450 CD1 TYR A 30 -12.905 -4.733 0.812 1.00 0.00 C ATOM 451 CD2 TYR A 30 -11.534 -6.656 1.138 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.515 -5.345 -0.266 1.00 0.00 C ATOM 453 CE2 TYR A 30 -12.138 -7.275 0.061 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.128 -6.616 -0.638 1.00 0.00 C ATOM 455 OH TYR A 30 -13.732 -7.228 -1.712 1.00 0.00 O ATOM 0 H TYR A 30 -10.856 -3.186 4.671 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.069 -4.356 3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.040 -3.662 2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.279 -5.179 2.896 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.210 -3.738 1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.759 -7.175 1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.291 -4.831 -0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.837 -8.270 -0.232 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.344 -8.118 -1.842 1.00 0.00 H new ATOM 465 N THR A 31 -13.346 -6.812 4.124 1.00 0.00 N ATOM 466 CA THR A 31 -13.610 -8.192 4.512 1.00 0.00 C ATOM 467 C THR A 31 -14.300 -8.957 3.388 1.00 0.00 C ATOM 468 O THR A 31 -14.806 -8.360 2.438 1.00 0.00 O ATOM 469 CB THR A 31 -14.484 -8.263 5.778 1.00 0.00 C ATOM 470 OG1 THR A 31 -15.376 -7.143 5.821 1.00 0.00 O ATOM 471 CG2 THR A 31 -13.622 -8.279 7.031 1.00 0.00 C ATOM 0 H THR A 31 -14.091 -6.377 3.579 1.00 0.00 H new ATOM 0 HA THR A 31 -12.644 -8.651 4.721 1.00 0.00 H new ATOM 0 HB THR A 31 -15.062 -9.186 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.929 -7.196 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 31 -14.262 -8.329 7.912 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.965 -9.148 7.009 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.021 -7.371 7.071 1.00 0.00 H new ATOM 479 N ASP A 32 -14.318 -10.280 3.503 1.00 0.00 N ATOM 480 CA ASP A 32 -14.948 -11.127 2.497 1.00 0.00 C ATOM 481 C ASP A 32 -16.468 -11.077 2.620 1.00 0.00 C ATOM 482 O ASP A 32 -17.012 -10.341 3.444 1.00 0.00 O ATOM 483 CB ASP A 32 -14.460 -12.570 2.636 1.00 0.00 C ATOM 484 CG ASP A 32 -14.604 -13.355 1.347 1.00 0.00 C ATOM 485 OD1 ASP A 32 -14.027 -12.929 0.324 1.00 0.00 O ATOM 486 OD2 ASP A 32 -15.291 -14.397 1.362 1.00 0.00 O ATOM 0 H ASP A 32 -13.903 -10.790 4.283 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.668 -10.750 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.414 -12.569 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.023 -13.067 3.426 1.00 0.00 H new ATOM 491 N LYS A 33 -17.149 -11.863 1.794 1.00 0.00 N ATOM 492 CA LYS A 33 -18.607 -11.910 1.809 1.00 0.00 C ATOM 493 C LYS A 33 -19.122 -12.396 3.160 1.00 0.00 C ATOM 494 O LYS A 33 -20.267 -12.134 3.528 1.00 0.00 O ATOM 495 CB LYS A 33 -19.119 -12.827 0.696 1.00 0.00 C ATOM 496 CG LYS A 33 -18.557 -12.493 -0.675 1.00 0.00 C ATOM 497 CD LYS A 33 -19.340 -11.374 -1.342 1.00 0.00 C ATOM 498 CE LYS A 33 -20.599 -11.899 -2.014 1.00 0.00 C ATOM 499 NZ LYS A 33 -20.291 -12.626 -3.277 1.00 0.00 N ATOM 0 H LYS A 33 -16.715 -12.477 1.105 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.980 -10.900 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.866 -13.858 0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.207 -12.766 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.512 -12.200 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.582 -13.382 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -19.609 -10.623 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.711 -10.879 -2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -21.125 -12.565 -1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -21.270 -11.067 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.173 -12.805 -3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.654 -12.050 -3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.831 -13.532 -3.053 1.00 0.00 H new ATOM 513 N ARG A 34 -18.269 -13.102 3.894 1.00 0.00 N ATOM 514 CA ARG A 34 -18.638 -13.624 5.204 1.00 0.00 C ATOM 515 C ARG A 34 -18.189 -12.676 6.313 1.00 0.00 C ATOM 516 O ARG A 34 -18.986 -12.271 7.158 1.00 0.00 O ATOM 517 CB ARG A 34 -18.020 -15.007 5.419 1.00 0.00 C ATOM 518 CG ARG A 34 -18.549 -16.065 4.464 1.00 0.00 C ATOM 519 CD ARG A 34 -17.830 -16.016 3.125 1.00 0.00 C ATOM 520 NE ARG A 34 -18.471 -16.870 2.129 1.00 0.00 N ATOM 521 CZ ARG A 34 -17.882 -17.253 1.001 1.00 0.00 C ATOM 522 NH1 ARG A 34 -16.645 -16.860 0.729 1.00 0.00 N ATOM 523 NH2 ARG A 34 -18.530 -18.030 0.144 1.00 0.00 N ATOM 0 H ARG A 34 -17.317 -13.326 3.604 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.724 -13.710 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.938 -14.934 5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -18.211 -15.326 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -18.426 -17.053 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -19.618 -15.916 4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.809 -14.988 2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.794 -16.328 3.258 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.423 -17.190 2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -16.144 -16.262 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.195 -17.155 -0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.481 -18.334 0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -18.077 -18.323 -0.722 1.00 0.00 H new ATOM 537 N GLY A 35 -16.906 -12.328 6.303 1.00 0.00 N ATOM 538 CA GLY A 35 -16.372 -11.432 7.312 1.00 0.00 C ATOM 539 C GLY A 35 -15.007 -11.865 7.809 1.00 0.00 C ATOM 540 O GLY A 35 -14.683 -11.690 8.984 1.00 0.00 O ATOM 0 H GLY A 35 -16.227 -12.651 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.302 -10.426 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.063 -11.384 8.153 1.00 0.00 H new ATOM 544 N ARG A 36 -14.206 -12.433 6.914 1.00 0.00 N ATOM 545 CA ARG A 36 -12.870 -12.895 7.269 1.00 0.00 C ATOM 546 C ARG A 36 -11.813 -11.879 6.846 1.00 0.00 C ATOM 547 O ARG A 36 -11.760 -11.471 5.686 1.00 0.00 O ATOM 548 CB ARG A 36 -12.584 -14.248 6.613 1.00 0.00 C ATOM 549 CG ARG A 36 -13.176 -14.386 5.220 1.00 0.00 C ATOM 550 CD ARG A 36 -12.624 -15.606 4.499 1.00 0.00 C ATOM 551 NE ARG A 36 -13.333 -16.828 4.868 1.00 0.00 N ATOM 552 CZ ARG A 36 -13.040 -17.551 5.943 1.00 0.00 C ATOM 553 NH1 ARG A 36 -12.057 -17.177 6.751 1.00 0.00 N ATOM 554 NH2 ARG A 36 -13.731 -18.652 6.212 1.00 0.00 N ATOM 0 H ARG A 36 -14.459 -12.584 5.938 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.828 -13.008 8.352 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.505 -14.394 6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.980 -15.041 7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.261 -14.464 5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.958 -13.489 4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.699 -15.455 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.565 -15.717 4.733 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.095 -17.144 4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.523 -16.332 6.548 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.835 -17.735 7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.488 -18.943 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.505 -19.207 7.038 1.00 0.00 H new ATOM 568 N ARG A 37 -10.975 -11.475 7.795 1.00 0.00 N ATOM 569 CA ARG A 37 -9.921 -10.506 7.521 1.00 0.00 C ATOM 570 C ARG A 37 -8.787 -11.145 6.724 1.00 0.00 C ATOM 571 O ARG A 37 -7.991 -11.915 7.265 1.00 0.00 O ATOM 572 CB ARG A 37 -9.377 -9.929 8.829 1.00 0.00 C ATOM 573 CG ARG A 37 -10.117 -8.689 9.303 1.00 0.00 C ATOM 574 CD ARG A 37 -9.623 -7.440 8.591 1.00 0.00 C ATOM 575 NE ARG A 37 -9.908 -6.227 9.353 1.00 0.00 N ATOM 576 CZ ARG A 37 -9.164 -5.805 10.369 1.00 0.00 C ATOM 577 NH1 ARG A 37 -8.095 -6.495 10.743 1.00 0.00 N ATOM 578 NH2 ARG A 37 -9.488 -4.692 11.014 1.00 0.00 N ATOM 0 H ARG A 37 -11.006 -11.804 8.760 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.350 -9.700 6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.433 -10.693 9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.323 -9.685 8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.186 -8.812 9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.983 -8.573 10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.549 -7.519 8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.094 -7.371 7.610 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.723 -5.673 9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.843 -7.352 10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.525 -6.169 11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.310 -4.159 10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.915 -4.370 11.794 1.00 0.00 H new ATOM 592 N LEU A 38 -8.721 -10.823 5.437 1.00 0.00 N ATOM 593 CA LEU A 38 -7.685 -11.366 4.565 1.00 0.00 C ATOM 594 C LEU A 38 -6.405 -10.543 4.662 1.00 0.00 C ATOM 595 O LEU A 38 -5.329 -11.003 4.282 1.00 0.00 O ATOM 596 CB LEU A 38 -8.176 -11.399 3.117 1.00 0.00 C ATOM 597 CG LEU A 38 -9.129 -10.276 2.706 1.00 0.00 C ATOM 598 CD1 LEU A 38 -8.970 -9.955 1.228 1.00 0.00 C ATOM 599 CD2 LEU A 38 -10.569 -10.657 3.019 1.00 0.00 C ATOM 0 H LEU A 38 -9.372 -10.189 4.974 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.466 -12.383 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.307 -11.370 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.675 -12.353 2.945 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.877 -9.384 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.656 -9.154 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.946 -9.638 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.194 -10.843 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.233 -9.846 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.833 -11.562 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.674 -10.836 4.089 1.00 0.00 H new ATOM 611 N SER A 39 -6.529 -9.323 5.176 1.00 0.00 N ATOM 612 CA SER A 39 -5.382 -8.435 5.322 1.00 0.00 C ATOM 613 C SER A 39 -4.555 -8.812 6.547 1.00 0.00 C ATOM 614 O SER A 39 -3.438 -8.328 6.728 1.00 0.00 O ATOM 615 CB SER A 39 -5.847 -6.981 5.434 1.00 0.00 C ATOM 616 OG SER A 39 -6.271 -6.682 6.753 1.00 0.00 O ATOM 0 H SER A 39 -7.412 -8.927 5.498 1.00 0.00 H new ATOM 0 HA SER A 39 -4.756 -8.542 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.034 -6.313 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.665 -6.803 4.736 1.00 0.00 H new ATOM 0 HG SER A 39 -7.089 -6.144 6.719 1.00 0.00 H new ATOM 622 N ALA A 40 -5.112 -9.680 7.385 1.00 0.00 N ATOM 623 CA ALA A 40 -4.426 -10.125 8.591 1.00 0.00 C ATOM 624 C ALA A 40 -3.056 -10.708 8.261 1.00 0.00 C ATOM 625 O ALA A 40 -2.069 -10.422 8.939 1.00 0.00 O ATOM 626 CB ALA A 40 -5.273 -11.149 9.333 1.00 0.00 C ATOM 0 H ALA A 40 -6.037 -10.089 7.251 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.277 -9.258 9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.748 -11.473 10.232 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.226 -10.700 9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.452 -12.009 8.688 1.00 0.00 H new ATOM 632 N ILE A 41 -3.004 -11.528 7.217 1.00 0.00 N ATOM 633 CA ILE A 41 -1.754 -12.151 6.797 1.00 0.00 C ATOM 634 C ILE A 41 -0.830 -11.136 6.133 1.00 0.00 C ATOM 635 O ILE A 41 0.278 -11.471 5.714 1.00 0.00 O ATOM 636 CB ILE A 41 -2.006 -13.315 5.821 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.715 -14.103 5.588 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.558 -12.792 4.503 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.946 -15.564 5.273 1.00 0.00 C ATOM 0 H ILE A 41 -3.812 -11.777 6.646 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.276 -12.539 7.697 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.744 -13.985 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.163 -13.646 4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.087 -14.026 6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.731 -13.627 3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.498 -12.271 4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.841 -12.103 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.013 -16.059 5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.470 -16.037 6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.547 -15.650 4.368 1.00 0.00 H new ATOM 651 N PHE A 42 -1.292 -9.893 6.043 1.00 0.00 N ATOM 652 CA PHE A 42 -0.507 -8.828 5.430 1.00 0.00 C ATOM 653 C PHE A 42 -0.251 -7.700 6.426 1.00 0.00 C ATOM 654 O PHE A 42 0.113 -6.588 6.041 1.00 0.00 O ATOM 655 CB PHE A 42 -1.225 -8.281 4.196 1.00 0.00 C ATOM 656 CG PHE A 42 -0.955 -9.069 2.946 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.264 -8.965 2.296 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.919 -9.914 2.422 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.515 -9.688 1.145 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.674 -10.641 1.272 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.454 -10.528 0.633 1.00 0.00 C ATOM 0 H PHE A 42 -2.206 -9.599 6.387 1.00 0.00 H new ATOM 0 HA PHE A 42 0.453 -9.246 5.126 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.298 -8.271 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.920 -7.247 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.027 -8.312 2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.874 -10.006 2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.469 -9.596 0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.435 -11.296 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.259 -11.095 -0.265 1.00 0.00 H new ATOM 671 N LEU A 43 -0.444 -7.995 7.707 1.00 0.00 N ATOM 672 CA LEU A 43 -0.235 -7.006 8.759 1.00 0.00 C ATOM 673 C LEU A 43 1.180 -7.099 9.321 1.00 0.00 C ATOM 674 O LEU A 43 1.750 -6.102 9.763 1.00 0.00 O ATOM 675 CB LEU A 43 -1.256 -7.203 9.881 1.00 0.00 C ATOM 676 CG LEU A 43 -2.711 -6.890 9.528 1.00 0.00 C ATOM 677 CD1 LEU A 43 -3.574 -6.886 10.780 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.809 -5.555 8.806 1.00 0.00 C ATOM 0 H LEU A 43 -0.745 -8.910 8.042 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.369 -6.015 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.200 -8.238 10.219 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.965 -6.576 10.724 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.079 -7.669 8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.606 -6.662 10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.528 -7.865 11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.207 -6.128 11.472 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.851 -5.349 8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.423 -4.764 9.449 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.223 -5.594 7.888 1.00 0.00 H new ATOM 690 N ARG A 44 1.741 -8.304 9.298 1.00 0.00 N ATOM 691 CA ARG A 44 3.090 -8.527 9.804 1.00 0.00 C ATOM 692 C ARG A 44 3.787 -9.637 9.023 1.00 0.00 C ATOM 693 O ARG A 44 3.200 -10.687 8.757 1.00 0.00 O ATOM 694 CB ARG A 44 3.047 -8.885 11.291 1.00 0.00 C ATOM 695 CG ARG A 44 2.829 -7.686 12.200 1.00 0.00 C ATOM 696 CD ARG A 44 2.684 -8.109 13.653 1.00 0.00 C ATOM 697 NE ARG A 44 3.825 -8.897 14.110 1.00 0.00 N ATOM 698 CZ ARG A 44 3.936 -9.384 15.341 1.00 0.00 C ATOM 699 NH1 ARG A 44 2.979 -9.165 16.233 1.00 0.00 N ATOM 700 NH2 ARG A 44 5.005 -10.093 15.682 1.00 0.00 N ATOM 0 H ARG A 44 1.283 -9.140 8.935 1.00 0.00 H new ATOM 0 HA ARG A 44 3.656 -7.605 9.675 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.249 -9.608 11.459 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.982 -9.373 11.566 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.668 -6.997 12.102 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.935 -7.147 11.886 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.581 -7.223 14.280 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.770 -8.692 13.772 1.00 0.00 H new ATOM 0 HE ARG A 44 4.578 -9.084 13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.155 -8.622 15.974 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.067 -9.540 17.177 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.743 -10.264 14.999 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.089 -10.466 16.627 1.00 0.00 H new ATOM 714 N LEU A 45 5.042 -9.397 8.656 1.00 0.00 N ATOM 715 CA LEU A 45 5.819 -10.376 7.905 1.00 0.00 C ATOM 716 C LEU A 45 6.575 -11.309 8.845 1.00 0.00 C ATOM 717 O LEU A 45 6.962 -10.935 9.952 1.00 0.00 O ATOM 718 CB LEU A 45 6.803 -9.668 6.971 1.00 0.00 C ATOM 719 CG LEU A 45 6.333 -8.335 6.388 1.00 0.00 C ATOM 720 CD1 LEU A 45 7.523 -7.459 6.031 1.00 0.00 C ATOM 721 CD2 LEU A 45 5.454 -8.567 5.167 1.00 0.00 C ATOM 0 H LEU A 45 5.542 -8.533 8.867 1.00 0.00 H new ATOM 0 HA LEU A 45 5.127 -10.972 7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.731 -9.496 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.038 -10.340 6.146 1.00 0.00 H new ATOM 0 HG LEU A 45 5.742 -7.818 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.169 -6.515 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.113 -7.264 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.142 -7.969 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.129 -7.607 4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.021 -9.105 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.582 -9.155 5.453 1.00 0.00 H new ATOM 733 N PRO A 46 6.794 -12.554 8.395 1.00 0.00 N ATOM 734 CA PRO A 46 7.508 -13.565 9.179 1.00 0.00 C ATOM 735 C PRO A 46 8.993 -13.249 9.318 1.00 0.00 C ATOM 736 O PRO A 46 9.629 -12.780 8.374 1.00 0.00 O ATOM 737 CB PRO A 46 7.308 -14.849 8.369 1.00 0.00 C ATOM 738 CG PRO A 46 7.083 -14.384 6.972 1.00 0.00 C ATOM 739 CD PRO A 46 6.362 -13.069 7.085 1.00 0.00 C ATOM 0 HA PRO A 46 7.134 -13.627 10.201 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.181 -15.498 8.434 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.457 -15.421 8.738 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.029 -14.267 6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.491 -15.107 6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.635 -12.390 6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.281 -13.199 7.041 1.00 0.00 H new ATOM 747 N SER A 47 9.541 -13.510 10.501 1.00 0.00 N ATOM 748 CA SER A 47 10.952 -13.250 10.764 1.00 0.00 C ATOM 749 C SER A 47 11.839 -14.113 9.872 1.00 0.00 C ATOM 750 O SER A 47 11.353 -14.989 9.156 1.00 0.00 O ATOM 751 CB SER A 47 11.275 -13.517 12.235 1.00 0.00 C ATOM 752 OG SER A 47 10.459 -12.733 13.087 1.00 0.00 O ATOM 0 H SER A 47 9.030 -13.901 11.292 1.00 0.00 H new ATOM 0 HA SER A 47 11.151 -12.202 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.128 -14.574 12.457 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.325 -13.295 12.426 1.00 0.00 H new ATOM 0 HG SER A 47 10.684 -12.924 14.022 1.00 0.00 H new ATOM 758 N ARG A 48 13.142 -13.858 9.920 1.00 0.00 N ATOM 759 CA ARG A 48 14.098 -14.610 9.116 1.00 0.00 C ATOM 760 C ARG A 48 14.088 -16.087 9.499 1.00 0.00 C ATOM 761 O ARG A 48 14.040 -16.962 8.634 1.00 0.00 O ATOM 762 CB ARG A 48 15.506 -14.037 9.291 1.00 0.00 C ATOM 763 CG ARG A 48 16.590 -14.871 8.627 1.00 0.00 C ATOM 764 CD ARG A 48 16.831 -14.430 7.192 1.00 0.00 C ATOM 765 NE ARG A 48 18.130 -14.874 6.694 1.00 0.00 N ATOM 766 CZ ARG A 48 19.280 -14.295 7.023 1.00 0.00 C ATOM 767 NH1 ARG A 48 19.291 -13.256 7.846 1.00 0.00 N ATOM 768 NH2 ARG A 48 20.422 -14.757 6.529 1.00 0.00 N ATOM 0 H ARG A 48 13.560 -13.136 10.507 1.00 0.00 H new ATOM 0 HA ARG A 48 13.804 -14.521 8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 48 15.532 -13.028 8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 48 15.725 -13.953 10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 48 17.516 -14.785 9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 48 16.303 -15.922 8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 48 16.043 -14.828 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 48 16.772 -13.343 7.132 1.00 0.00 H new ATOM 0 HE ARG A 48 18.156 -15.672 6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 48 18.415 -12.899 8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 48 20.175 -12.813 8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 48 20.417 -15.557 5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 48 21.304 -14.312 6.782 1.00 0.00 H new ATOM 782 N SER A 49 14.133 -16.357 10.799 1.00 0.00 N ATOM 783 CA SER A 49 14.133 -17.728 11.296 1.00 0.00 C ATOM 784 C SER A 49 12.994 -18.531 10.675 1.00 0.00 C ATOM 785 O SER A 49 13.218 -19.576 10.067 1.00 0.00 O ATOM 786 CB SER A 49 14.008 -17.740 12.821 1.00 0.00 C ATOM 787 OG SER A 49 14.648 -18.876 13.376 1.00 0.00 O ATOM 0 H SER A 49 14.170 -15.644 11.528 1.00 0.00 H new ATOM 0 HA SER A 49 15.078 -18.191 11.012 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.450 -16.832 13.232 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.955 -17.738 13.103 1.00 0.00 H new ATOM 0 HG SER A 49 14.556 -18.860 14.351 1.00 0.00 H new ATOM 793 N GLU A 50 11.772 -18.032 10.834 1.00 0.00 N ATOM 794 CA GLU A 50 10.597 -18.703 10.289 1.00 0.00 C ATOM 795 C GLU A 50 10.714 -18.863 8.776 1.00 0.00 C ATOM 796 O GLU A 50 10.948 -19.963 8.273 1.00 0.00 O ATOM 797 CB GLU A 50 9.329 -17.920 10.634 1.00 0.00 C ATOM 798 CG GLU A 50 8.928 -18.024 12.096 1.00 0.00 C ATOM 799 CD GLU A 50 8.508 -19.427 12.487 1.00 0.00 C ATOM 800 OE1 GLU A 50 7.467 -19.897 11.981 1.00 0.00 O ATOM 801 OE2 GLU A 50 9.218 -20.055 13.300 1.00 0.00 O ATOM 0 H GLU A 50 11.570 -17.167 11.335 1.00 0.00 H new ATOM 0 HA GLU A 50 10.536 -19.694 10.738 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.480 -16.871 10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.509 -18.282 10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.764 -17.712 12.721 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.107 -17.335 12.294 1.00 0.00 H new ATOM 808 N LEU A 51 10.550 -17.759 8.056 1.00 0.00 N ATOM 809 CA LEU A 51 10.636 -17.775 6.600 1.00 0.00 C ATOM 810 C LEU A 51 11.749 -16.853 6.111 1.00 0.00 C ATOM 811 O LEU A 51 11.513 -15.713 5.712 1.00 0.00 O ATOM 812 CB LEU A 51 9.301 -17.352 5.986 1.00 0.00 C ATOM 813 CG LEU A 51 8.968 -17.958 4.622 1.00 0.00 C ATOM 814 CD1 LEU A 51 8.861 -19.472 4.721 1.00 0.00 C ATOM 815 CD2 LEU A 51 7.677 -17.365 4.076 1.00 0.00 C ATOM 0 H LEU A 51 10.357 -16.841 8.457 1.00 0.00 H new ATOM 0 HA LEU A 51 10.867 -18.793 6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.504 -17.614 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.296 -16.266 5.890 1.00 0.00 H new ATOM 0 HG LEU A 51 9.776 -17.716 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.624 -19.885 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.810 -19.882 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.073 -19.736 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.455 -17.808 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.860 -17.576 4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.790 -16.286 3.966 1.00 0.00 H new ATOM 827 N PRO A 52 12.991 -17.358 6.138 1.00 0.00 N ATOM 828 CA PRO A 52 14.164 -16.598 5.698 1.00 0.00 C ATOM 829 C PRO A 52 14.181 -16.380 4.189 1.00 0.00 C ATOM 830 O PRO A 52 14.391 -15.263 3.716 1.00 0.00 O ATOM 831 CB PRO A 52 15.340 -17.482 6.124 1.00 0.00 C ATOM 832 CG PRO A 52 14.779 -18.861 6.171 1.00 0.00 C ATOM 833 CD PRO A 52 13.346 -18.711 6.601 1.00 0.00 C ATOM 0 HA PRO A 52 14.187 -15.597 6.130 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.164 -17.414 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.731 -17.180 7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.845 -19.343 5.195 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.334 -19.484 6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.709 -19.471 6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.238 -18.807 7.681 1.00 0.00 H new ATOM 841 N ASP A 53 13.959 -17.453 3.438 1.00 0.00 N ATOM 842 CA ASP A 53 13.947 -17.378 1.982 1.00 0.00 C ATOM 843 C ASP A 53 13.117 -16.191 1.506 1.00 0.00 C ATOM 844 O ASP A 53 13.478 -15.515 0.542 1.00 0.00 O ATOM 845 CB ASP A 53 13.393 -18.675 1.388 1.00 0.00 C ATOM 846 CG ASP A 53 13.751 -19.891 2.219 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.935 -20.288 2.211 1.00 0.00 O ATOM 848 OD2 ASP A 53 12.847 -20.446 2.878 1.00 0.00 O ATOM 0 H ASP A 53 13.785 -18.385 3.814 1.00 0.00 H new ATOM 0 HA ASP A 53 14.973 -17.240 1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.309 -18.600 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.780 -18.803 0.377 1.00 0.00 H new ATOM 853 N TYR A 54 12.003 -15.943 2.186 1.00 0.00 N ATOM 854 CA TYR A 54 11.120 -14.839 1.830 1.00 0.00 C ATOM 855 C TYR A 54 11.922 -13.627 1.365 1.00 0.00 C ATOM 856 O TYR A 54 11.695 -13.099 0.276 1.00 0.00 O ATOM 857 CB TYR A 54 10.242 -14.456 3.023 1.00 0.00 C ATOM 858 CG TYR A 54 9.048 -13.608 2.648 1.00 0.00 C ATOM 859 CD1 TYR A 54 9.194 -12.257 2.357 1.00 0.00 C ATOM 860 CD2 TYR A 54 7.773 -14.157 2.586 1.00 0.00 C ATOM 861 CE1 TYR A 54 8.106 -11.478 2.015 1.00 0.00 C ATOM 862 CE2 TYR A 54 6.679 -13.385 2.243 1.00 0.00 C ATOM 863 CZ TYR A 54 6.851 -12.047 1.958 1.00 0.00 C ATOM 864 OH TYR A 54 5.764 -11.275 1.618 1.00 0.00 O ATOM 0 H TYR A 54 11.690 -16.492 2.987 1.00 0.00 H new ATOM 0 HA TYR A 54 10.483 -15.167 1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.892 -15.365 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.847 -13.915 3.750 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.175 -11.808 2.399 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.635 -15.204 2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.237 -10.429 1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.695 -13.827 2.198 1.00 0.00 H new ATOM 0 HH TYR A 54 4.955 -11.828 1.623 1.00 0.00 H new ATOM 874 N TYR A 55 12.861 -13.193 2.198 1.00 0.00 N ATOM 875 CA TYR A 55 13.697 -12.043 1.875 1.00 0.00 C ATOM 876 C TYR A 55 14.595 -12.341 0.678 1.00 0.00 C ATOM 877 O TYR A 55 14.712 -11.531 -0.243 1.00 0.00 O ATOM 878 CB TYR A 55 14.550 -11.650 3.082 1.00 0.00 C ATOM 879 CG TYR A 55 13.761 -11.000 4.196 1.00 0.00 C ATOM 880 CD1 TYR A 55 13.465 -9.643 4.163 1.00 0.00 C ATOM 881 CD2 TYR A 55 13.313 -11.743 5.281 1.00 0.00 C ATOM 882 CE1 TYR A 55 12.745 -9.044 5.179 1.00 0.00 C ATOM 883 CE2 TYR A 55 12.591 -11.153 6.301 1.00 0.00 C ATOM 884 CZ TYR A 55 12.310 -9.803 6.245 1.00 0.00 C ATOM 885 OH TYR A 55 11.593 -9.212 7.259 1.00 0.00 O ATOM 0 H TYR A 55 13.062 -13.620 3.102 1.00 0.00 H new ATOM 0 HA TYR A 55 13.042 -11.211 1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.046 -12.539 3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 55 15.333 -10.965 2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 55 13.803 -9.046 3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 55 13.533 -12.799 5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.524 -7.988 5.138 1.00 0.00 H new ATOM 0 HE2 TYR A 55 12.249 -11.745 7.137 1.00 0.00 H new ATOM 0 HH TYR A 55 11.362 -9.886 7.932 1.00 0.00 H new ATOM 895 N LEU A 56 15.226 -13.510 0.697 1.00 0.00 N ATOM 896 CA LEU A 56 16.113 -13.918 -0.386 1.00 0.00 C ATOM 897 C LEU A 56 15.416 -13.794 -1.737 1.00 0.00 C ATOM 898 O LEU A 56 15.805 -12.982 -2.577 1.00 0.00 O ATOM 899 CB LEU A 56 16.583 -15.358 -0.172 1.00 0.00 C ATOM 900 CG LEU A 56 17.636 -15.565 0.918 1.00 0.00 C ATOM 901 CD1 LEU A 56 19.006 -15.124 0.427 1.00 0.00 C ATOM 902 CD2 LEU A 56 17.251 -14.810 2.182 1.00 0.00 C ATOM 0 H LEU A 56 15.140 -14.192 1.451 1.00 0.00 H new ATOM 0 HA LEU A 56 16.979 -13.256 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.714 -15.971 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.985 -15.732 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 56 17.683 -16.628 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.742 -15.279 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.284 -15.710 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.975 -14.067 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 56 18.011 -14.969 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.175 -13.745 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.290 -15.174 2.545 1.00 0.00 H new ATOM 914 N THR A 57 14.382 -14.605 -1.940 1.00 0.00 N ATOM 915 CA THR A 57 13.630 -14.586 -3.188 1.00 0.00 C ATOM 916 C THR A 57 13.105 -13.187 -3.493 1.00 0.00 C ATOM 917 O THR A 57 13.601 -12.510 -4.394 1.00 0.00 O ATOM 918 CB THR A 57 12.444 -15.568 -3.145 1.00 0.00 C ATOM 919 OG1 THR A 57 12.926 -16.912 -3.027 1.00 0.00 O ATOM 920 CG2 THR A 57 11.588 -15.439 -4.396 1.00 0.00 C ATOM 0 H THR A 57 14.047 -15.283 -1.256 1.00 0.00 H new ATOM 0 HA THR A 57 14.318 -14.893 -3.976 1.00 0.00 H new ATOM 0 HB THR A 57 11.830 -15.324 -2.278 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.166 -17.531 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.757 -16.142 -4.342 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.199 -14.423 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.193 -15.659 -5.275 1.00 0.00 H new ATOM 928 N ILE A 58 12.100 -12.760 -2.736 1.00 0.00 N ATOM 929 CA ILE A 58 11.509 -11.441 -2.924 1.00 0.00 C ATOM 930 C ILE A 58 12.568 -10.347 -2.838 1.00 0.00 C ATOM 931 O ILE A 58 13.459 -10.395 -1.990 1.00 0.00 O ATOM 932 CB ILE A 58 10.412 -11.161 -1.880 1.00 0.00 C ATOM 933 CG1 ILE A 58 9.357 -12.268 -1.908 1.00 0.00 C ATOM 934 CG2 ILE A 58 9.771 -9.805 -2.136 1.00 0.00 C ATOM 935 CD1 ILE A 58 8.623 -12.371 -3.227 1.00 0.00 C ATOM 0 H ILE A 58 11.678 -13.308 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 58 11.063 -11.434 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 58 10.869 -11.145 -0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.838 -13.222 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.634 -12.090 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.998 -9.621 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.530 -9.026 -2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.325 -9.795 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.891 -13.177 -3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.113 -11.430 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.336 -12.581 -4.025 1.00 0.00 H new ATOM 947 N LYS A 59 12.464 -9.360 -3.721 1.00 0.00 N ATOM 948 CA LYS A 59 13.411 -8.251 -3.744 1.00 0.00 C ATOM 949 C LYS A 59 13.245 -7.368 -2.511 1.00 0.00 C ATOM 950 O LYS A 59 14.194 -7.155 -1.755 1.00 0.00 O ATOM 951 CB LYS A 59 13.218 -7.415 -5.012 1.00 0.00 C ATOM 952 CG LYS A 59 13.884 -8.011 -6.240 1.00 0.00 C ATOM 953 CD LYS A 59 13.061 -9.147 -6.824 1.00 0.00 C ATOM 954 CE LYS A 59 13.527 -9.510 -8.226 1.00 0.00 C ATOM 955 NZ LYS A 59 12.702 -10.597 -8.821 1.00 0.00 N ATOM 0 H LYS A 59 11.733 -9.305 -4.431 1.00 0.00 H new ATOM 0 HA LYS A 59 14.419 -8.666 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.151 -7.304 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.617 -6.415 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.021 -7.235 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.876 -8.378 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.135 -10.021 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.010 -8.859 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.480 -8.628 -8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.570 -9.823 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.051 -10.815 -9.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.767 -11.447 -8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.710 -10.289 -8.877 1.00 0.00 H new ATOM 969 N LYS A 60 12.035 -6.858 -2.313 1.00 0.00 N ATOM 970 CA LYS A 60 11.743 -6.001 -1.170 1.00 0.00 C ATOM 971 C LYS A 60 10.329 -6.247 -0.652 1.00 0.00 C ATOM 972 O LYS A 60 9.341 -6.058 -1.361 1.00 0.00 O ATOM 973 CB LYS A 60 11.908 -4.529 -1.555 1.00 0.00 C ATOM 974 CG LYS A 60 10.784 -4.000 -2.429 1.00 0.00 C ATOM 975 CD LYS A 60 11.226 -2.788 -3.232 1.00 0.00 C ATOM 976 CE LYS A 60 11.280 -1.537 -2.368 1.00 0.00 C ATOM 977 NZ LYS A 60 12.275 -0.553 -2.879 1.00 0.00 N ATOM 0 H LYS A 60 11.240 -7.023 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 60 12.449 -6.244 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.964 -3.929 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.855 -4.403 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.449 -4.785 -3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.931 -3.733 -1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.209 -2.975 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.537 -2.629 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.294 -1.074 -2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.534 -1.813 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.282 0.285 -2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.220 -0.986 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.018 -0.270 -3.846 1.00 0.00 H new ATOM 991 N PRO A 61 10.229 -6.677 0.615 1.00 0.00 N ATOM 992 CA PRO A 61 8.940 -6.955 1.256 1.00 0.00 C ATOM 993 C PRO A 61 8.138 -5.686 1.520 1.00 0.00 C ATOM 994 O PRO A 61 8.669 -4.700 2.029 1.00 0.00 O ATOM 995 CB PRO A 61 9.338 -7.621 2.576 1.00 0.00 C ATOM 996 CG PRO A 61 10.709 -7.113 2.858 1.00 0.00 C ATOM 997 CD PRO A 61 11.365 -6.924 1.518 1.00 0.00 C ATOM 0 HA PRO A 61 8.297 -7.571 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.646 -7.358 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.328 -8.708 2.490 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.671 -6.174 3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.269 -7.820 3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.062 -6.086 1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.931 -7.806 1.220 1.00 0.00 H new ATOM 1005 N MET A 62 6.856 -5.719 1.171 1.00 0.00 N ATOM 1006 CA MET A 62 5.980 -4.570 1.372 1.00 0.00 C ATOM 1007 C MET A 62 4.772 -4.951 2.223 1.00 0.00 C ATOM 1008 O MET A 62 3.948 -5.771 1.816 1.00 0.00 O ATOM 1009 CB MET A 62 5.515 -4.014 0.025 1.00 0.00 C ATOM 1010 CG MET A 62 4.436 -2.951 0.147 1.00 0.00 C ATOM 1011 SD MET A 62 4.959 -1.540 1.140 1.00 0.00 S ATOM 1012 CE MET A 62 6.210 -0.823 0.077 1.00 0.00 C ATOM 0 H MET A 62 6.401 -6.528 0.748 1.00 0.00 H new ATOM 0 HA MET A 62 6.545 -3.801 1.898 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.372 -3.592 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.139 -4.834 -0.587 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.157 -2.606 -0.849 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.545 -3.393 0.592 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.503 0.152 0.466 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.081 -1.478 0.047 1.00 0.00 H new ATOM 0 HE3 MET A 62 5.809 -0.707 -0.930 1.00 0.00 H new ATOM 1022 N ASP A 63 4.673 -4.350 3.404 1.00 0.00 N ATOM 1023 CA ASP A 63 3.564 -4.626 4.311 1.00 0.00 C ATOM 1024 C ASP A 63 2.759 -3.359 4.585 1.00 0.00 C ATOM 1025 O ASP A 63 3.281 -2.249 4.498 1.00 0.00 O ATOM 1026 CB ASP A 63 4.086 -5.207 5.626 1.00 0.00 C ATOM 1027 CG ASP A 63 3.022 -5.246 6.704 1.00 0.00 C ATOM 1028 OD1 ASP A 63 2.725 -4.180 7.282 1.00 0.00 O ATOM 1029 OD2 ASP A 63 2.487 -6.342 6.971 1.00 0.00 O ATOM 0 H ASP A 63 5.346 -3.669 3.756 1.00 0.00 H new ATOM 0 HA ASP A 63 2.909 -5.356 3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.459 -6.216 5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.930 -4.611 5.974 1.00 0.00 H new ATOM 1034 N MET A 64 1.484 -3.535 4.914 1.00 0.00 N ATOM 1035 CA MET A 64 0.606 -2.407 5.201 1.00 0.00 C ATOM 1036 C MET A 64 1.346 -1.328 5.986 1.00 0.00 C ATOM 1037 O MET A 64 1.554 -0.221 5.491 1.00 0.00 O ATOM 1038 CB MET A 64 -0.621 -2.874 5.986 1.00 0.00 C ATOM 1039 CG MET A 64 -1.422 -3.954 5.277 1.00 0.00 C ATOM 1040 SD MET A 64 -2.716 -3.279 4.219 1.00 0.00 S ATOM 1041 CE MET A 64 -3.765 -2.483 5.433 1.00 0.00 C ATOM 0 H MET A 64 1.036 -4.448 4.989 1.00 0.00 H new ATOM 0 HA MET A 64 0.280 -1.982 4.252 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.299 -3.250 6.957 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.269 -2.018 6.175 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.748 -4.564 4.676 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.872 -4.613 6.019 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.811 -2.647 5.174 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.565 -2.904 6.418 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.558 -1.413 5.447 1.00 0.00 H new ATOM 1051 N GLU A 65 1.740 -1.660 7.212 1.00 0.00 N ATOM 1052 CA GLU A 65 2.455 -0.718 8.064 1.00 0.00 C ATOM 1053 C GLU A 65 3.453 0.102 7.252 1.00 0.00 C ATOM 1054 O GLU A 65 3.425 1.332 7.270 1.00 0.00 O ATOM 1055 CB GLU A 65 3.183 -1.462 9.186 1.00 0.00 C ATOM 1056 CG GLU A 65 2.269 -2.333 10.032 1.00 0.00 C ATOM 1057 CD GLU A 65 1.235 -1.526 10.793 1.00 0.00 C ATOM 1058 OE1 GLU A 65 1.562 -1.033 11.893 1.00 0.00 O ATOM 1059 OE2 GLU A 65 0.101 -1.387 10.290 1.00 0.00 O ATOM 0 H GLU A 65 1.576 -2.573 7.636 1.00 0.00 H new ATOM 0 HA GLU A 65 1.724 -0.038 8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.964 -2.085 8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.678 -0.736 9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.762 -3.053 9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.870 -2.905 10.739 1.00 0.00 H new ATOM 1066 N LYS A 66 4.336 -0.590 6.539 1.00 0.00 N ATOM 1067 CA LYS A 66 5.344 0.071 5.718 1.00 0.00 C ATOM 1068 C LYS A 66 4.787 1.348 5.097 1.00 0.00 C ATOM 1069 O LYS A 66 5.428 2.399 5.137 1.00 0.00 O ATOM 1070 CB LYS A 66 5.834 -0.872 4.617 1.00 0.00 C ATOM 1071 CG LYS A 66 7.266 -0.609 4.184 1.00 0.00 C ATOM 1072 CD LYS A 66 7.820 -1.761 3.362 1.00 0.00 C ATOM 1073 CE LYS A 66 9.162 -1.407 2.741 1.00 0.00 C ATOM 1074 NZ LYS A 66 9.466 -2.255 1.555 1.00 0.00 N ATOM 0 H LYS A 66 4.374 -1.609 6.513 1.00 0.00 H new ATOM 0 HA LYS A 66 6.183 0.336 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.753 -1.901 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.178 -0.778 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.307 0.310 3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.891 -0.455 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.932 -2.641 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.112 -2.022 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.160 -0.358 2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.949 -1.528 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.461 -2.555 1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.851 -3.094 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.298 -1.709 0.686 1.00 0.00 H new ATOM 1088 N ILE A 67 3.592 1.251 4.525 1.00 0.00 N ATOM 1089 CA ILE A 67 2.949 2.399 3.898 1.00 0.00 C ATOM 1090 C ILE A 67 2.385 3.352 4.946 1.00 0.00 C ATOM 1091 O ILE A 67 2.430 4.571 4.779 1.00 0.00 O ATOM 1092 CB ILE A 67 1.814 1.963 2.953 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.369 1.097 1.820 1.00 0.00 C ATOM 1094 CG2 ILE A 67 1.094 3.180 2.392 1.00 0.00 C ATOM 1095 CD1 ILE A 67 1.380 0.078 1.297 1.00 0.00 C ATOM 0 H ILE A 67 3.049 0.389 4.483 1.00 0.00 H new ATOM 0 HA ILE A 67 3.716 2.912 3.318 1.00 0.00 H new ATOM 0 HB ILE A 67 1.096 1.371 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.681 1.743 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.260 0.578 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.295 2.855 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.670 3.761 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.801 3.797 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.842 -0.500 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.087 -0.592 2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.498 0.591 0.913 1.00 0.00 H new ATOM 1107 N ARG A 68 1.854 2.789 6.026 1.00 0.00 N ATOM 1108 CA ARG A 68 1.281 3.589 7.102 1.00 0.00 C ATOM 1109 C ARG A 68 2.323 4.536 7.689 1.00 0.00 C ATOM 1110 O ARG A 68 2.191 5.757 7.592 1.00 0.00 O ATOM 1111 CB ARG A 68 0.725 2.681 8.201 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.408 3.310 8.994 1.00 0.00 C ATOM 1113 CD ARG A 68 -1.052 2.305 9.937 1.00 0.00 C ATOM 1114 NE ARG A 68 -2.172 2.885 10.673 1.00 0.00 N ATOM 1115 CZ ARG A 68 -2.938 2.194 11.510 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -2.706 0.905 11.716 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -3.939 2.793 12.144 1.00 0.00 N ATOM 0 H ARG A 68 1.809 1.782 6.179 1.00 0.00 H new ATOM 0 HA ARG A 68 0.468 4.184 6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.371 1.754 7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.532 2.415 8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.027 4.156 9.566 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.160 3.701 8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.400 1.444 9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.305 1.939 10.642 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.377 3.875 10.537 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.938 0.441 11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.296 0.377 12.359 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.120 3.785 11.989 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.527 2.262 12.786 1.00 0.00 H new ATOM 1131 N SER A 69 3.358 3.966 8.298 1.00 0.00 N ATOM 1132 CA SER A 69 4.420 4.760 8.905 1.00 0.00 C ATOM 1133 C SER A 69 4.705 6.009 8.077 1.00 0.00 C ATOM 1134 O SER A 69 4.649 7.130 8.584 1.00 0.00 O ATOM 1135 CB SER A 69 5.694 3.924 9.043 1.00 0.00 C ATOM 1136 OG SER A 69 6.665 4.600 9.824 1.00 0.00 O ATOM 0 H SER A 69 3.484 2.957 8.384 1.00 0.00 H new ATOM 0 HA SER A 69 4.088 5.070 9.896 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.456 2.965 9.503 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.102 3.711 8.055 1.00 0.00 H new ATOM 0 HG SER A 69 7.469 4.045 9.899 1.00 0.00 H new ATOM 1142 N HIS A 70 5.011 5.808 6.799 1.00 0.00 N ATOM 1143 CA HIS A 70 5.305 6.917 5.899 1.00 0.00 C ATOM 1144 C HIS A 70 4.153 7.918 5.876 1.00 0.00 C ATOM 1145 O HIS A 70 4.336 9.097 6.175 1.00 0.00 O ATOM 1146 CB HIS A 70 5.574 6.398 4.486 1.00 0.00 C ATOM 1147 CG HIS A 70 6.764 5.493 4.397 1.00 0.00 C ATOM 1148 ND1 HIS A 70 6.936 4.575 3.383 1.00 0.00 N ATOM 1149 CD2 HIS A 70 7.845 5.371 5.202 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.071 3.925 3.569 1.00 0.00 C ATOM 1151 NE2 HIS A 70 8.642 4.389 4.666 1.00 0.00 N ATOM 0 H HIS A 70 5.062 4.887 6.364 1.00 0.00 H new ATOM 0 HA HIS A 70 6.197 7.424 6.267 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.693 5.863 4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.722 7.247 3.818 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.044 5.940 6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.465 3.147 2.932 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.530 4.070 5.052 1.00 0.00 H new ATOM 1160 N MET A 71 2.966 7.438 5.517 1.00 0.00 N ATOM 1161 CA MET A 71 1.785 8.290 5.456 1.00 0.00 C ATOM 1162 C MET A 71 1.735 9.238 6.650 1.00 0.00 C ATOM 1163 O MET A 71 1.655 10.455 6.486 1.00 0.00 O ATOM 1164 CB MET A 71 0.516 7.437 5.413 1.00 0.00 C ATOM 1165 CG MET A 71 -0.687 8.165 4.834 1.00 0.00 C ATOM 1166 SD MET A 71 -2.251 7.558 5.496 1.00 0.00 S ATOM 1167 CE MET A 71 -1.775 5.919 6.039 1.00 0.00 C ATOM 0 H MET A 71 2.797 6.464 5.264 1.00 0.00 H new ATOM 0 HA MET A 71 1.845 8.886 4.545 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.709 6.543 4.820 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.277 7.104 6.423 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.597 9.231 5.044 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.688 8.052 3.750 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.669 5.323 6.223 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.172 5.441 5.267 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.194 5.995 6.958 1.00 0.00 H new ATOM 1177 N MET A 72 1.782 8.671 7.851 1.00 0.00 N ATOM 1178 CA MET A 72 1.743 9.467 9.073 1.00 0.00 C ATOM 1179 C MET A 72 2.875 10.489 9.093 1.00 0.00 C ATOM 1180 O MET A 72 2.731 11.578 9.646 1.00 0.00 O ATOM 1181 CB MET A 72 1.838 8.559 10.301 1.00 0.00 C ATOM 1182 CG MET A 72 0.761 7.488 10.350 1.00 0.00 C ATOM 1183 SD MET A 72 -0.802 8.104 11.005 1.00 0.00 S ATOM 1184 CE MET A 72 -1.915 7.703 9.660 1.00 0.00 C ATOM 0 H MET A 72 1.847 7.665 8.004 1.00 0.00 H new ATOM 0 HA MET A 72 0.794 10.003 9.098 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.817 8.079 10.313 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.772 9.171 11.201 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.600 7.094 9.347 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.107 6.658 10.966 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.504 8.583 9.401 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.337 7.385 8.792 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.582 6.897 9.967 1.00 0.00 H new ATOM 1194 N ALA A 73 4.002 10.129 8.485 1.00 0.00 N ATOM 1195 CA ALA A 73 5.157 11.016 8.432 1.00 0.00 C ATOM 1196 C ALA A 73 5.048 11.991 7.265 1.00 0.00 C ATOM 1197 O ALA A 73 6.056 12.433 6.716 1.00 0.00 O ATOM 1198 CB ALA A 73 6.440 10.205 8.326 1.00 0.00 C ATOM 0 H ALA A 73 4.139 9.230 8.023 1.00 0.00 H new ATOM 0 HA ALA A 73 5.181 11.596 9.355 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.295 10.880 8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.531 9.553 9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.414 9.600 7.420 1.00 0.00 H new ATOM 1204 N ASN A 74 3.816 12.322 6.890 1.00 0.00 N ATOM 1205 CA ASN A 74 3.575 13.245 5.786 1.00 0.00 C ATOM 1206 C ASN A 74 4.633 13.080 4.699 1.00 0.00 C ATOM 1207 O ASN A 74 5.179 14.062 4.195 1.00 0.00 O ATOM 1208 CB ASN A 74 3.568 14.688 6.293 1.00 0.00 C ATOM 1209 CG ASN A 74 2.202 15.120 6.791 1.00 0.00 C ATOM 1210 OD1 ASN A 74 1.452 15.807 5.938 1.00 0.00 O flip ATOM 1211 ND2 ASN A 74 1.827 14.837 7.929 1.00 0.00 N flip ATOM 0 H ASN A 74 2.970 11.965 7.334 1.00 0.00 H new ATOM 0 HA ASN A 74 2.600 13.014 5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.295 14.790 7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.886 15.354 5.491 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.438 14.307 8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.905 15.133 8.251 1.00 0.00 H new ATOM 1218 N LYS A 75 4.917 11.833 4.341 1.00 0.00 N ATOM 1219 CA LYS A 75 5.908 11.538 3.313 1.00 0.00 C ATOM 1220 C LYS A 75 5.271 11.546 1.927 1.00 0.00 C ATOM 1221 O LYS A 75 5.814 12.129 0.987 1.00 0.00 O ATOM 1222 CB LYS A 75 6.560 10.179 3.579 1.00 0.00 C ATOM 1223 CG LYS A 75 7.503 10.180 4.769 1.00 0.00 C ATOM 1224 CD LYS A 75 8.511 9.046 4.682 1.00 0.00 C ATOM 1225 CE LYS A 75 9.643 9.229 5.682 1.00 0.00 C ATOM 1226 NZ LYS A 75 10.564 10.329 5.282 1.00 0.00 N ATOM 0 H LYS A 75 4.474 11.009 4.748 1.00 0.00 H new ATOM 0 HA LYS A 75 6.673 12.313 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.779 9.437 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.110 9.869 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.029 11.133 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.928 10.087 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.009 8.097 4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.920 8.998 3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.227 9.444 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.204 8.299 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.438 10.272 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.795 10.238 4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.103 11.246 5.451 1.00 0.00 H new ATOM 1240 N TYR A 76 4.119 10.897 1.806 1.00 0.00 N ATOM 1241 CA TYR A 76 3.409 10.829 0.534 1.00 0.00 C ATOM 1242 C TYR A 76 2.866 12.199 0.139 1.00 0.00 C ATOM 1243 O TYR A 76 2.703 13.080 0.982 1.00 0.00 O ATOM 1244 CB TYR A 76 2.264 9.819 0.618 1.00 0.00 C ATOM 1245 CG TYR A 76 2.728 8.383 0.712 1.00 0.00 C ATOM 1246 CD1 TYR A 76 3.485 7.810 -0.302 1.00 0.00 C ATOM 1247 CD2 TYR A 76 2.409 7.599 1.814 1.00 0.00 C ATOM 1248 CE1 TYR A 76 3.911 6.498 -0.222 1.00 0.00 C ATOM 1249 CE2 TYR A 76 2.832 6.287 1.903 1.00 0.00 C ATOM 1250 CZ TYR A 76 3.583 5.741 0.883 1.00 0.00 C ATOM 1251 OH TYR A 76 4.005 4.434 0.968 1.00 0.00 O ATOM 0 H TYR A 76 3.656 10.410 2.574 1.00 0.00 H new ATOM 0 HA TYR A 76 4.115 10.504 -0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.649 10.051 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.628 9.930 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.745 8.400 -1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.820 8.023 2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.498 6.068 -1.020 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.576 5.692 2.767 1.00 0.00 H new ATOM 0 HH TYR A 76 4.852 4.332 0.486 1.00 0.00 H new ATOM 1261 N GLN A 77 2.588 12.368 -1.150 1.00 0.00 N ATOM 1262 CA GLN A 77 2.064 13.631 -1.658 1.00 0.00 C ATOM 1263 C GLN A 77 0.747 13.415 -2.397 1.00 0.00 C ATOM 1264 O GLN A 77 0.039 14.370 -2.716 1.00 0.00 O ATOM 1265 CB GLN A 77 3.081 14.293 -2.588 1.00 0.00 C ATOM 1266 CG GLN A 77 3.980 13.302 -3.311 1.00 0.00 C ATOM 1267 CD GLN A 77 3.344 12.751 -4.571 1.00 0.00 C ATOM 1268 OE1 GLN A 77 3.114 11.443 -4.595 1.00 0.00 O flip ATOM 1269 NE2 GLN A 77 3.064 13.491 -5.514 1.00 0.00 N flip ATOM 0 H GLN A 77 2.717 11.648 -1.861 1.00 0.00 H new ATOM 0 HA GLN A 77 1.880 14.287 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.549 14.894 -3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.701 14.977 -2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.921 13.790 -3.567 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.220 12.478 -2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.258 14.491 -5.453 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.638 13.105 -6.356 1.00 0.00 H new ATOM 1278 N ASP A 78 0.425 12.154 -2.665 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.808 11.813 -3.366 1.00 0.00 C ATOM 1280 C ASP A 78 -1.087 10.316 -3.276 1.00 0.00 C ATOM 1281 O ASP A 78 -0.223 9.536 -2.874 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.721 12.241 -4.832 1.00 0.00 C ATOM 1283 CG ASP A 78 -1.713 11.503 -5.710 1.00 0.00 C ATOM 1284 OD1 ASP A 78 -2.918 11.822 -5.641 1.00 0.00 O ATOM 1285 OD2 ASP A 78 -1.283 10.605 -6.465 1.00 0.00 O ATOM 0 H ASP A 78 1.000 11.352 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.629 12.347 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.902 13.313 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.289 12.062 -5.200 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.299 9.922 -3.652 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.691 8.518 -3.614 1.00 0.00 C ATOM 1292 C ILE A 79 -1.847 7.685 -4.572 1.00 0.00 C ATOM 1293 O ILE A 79 -1.352 6.617 -4.211 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.179 8.340 -3.970 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.050 9.221 -3.073 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.583 6.879 -3.840 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.121 8.741 -1.640 1.00 0.00 C ATOM 0 H ILE A 79 -3.026 10.554 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.526 8.171 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.329 8.648 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.660 10.239 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.058 9.260 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.637 6.769 -4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.981 6.273 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.421 6.547 -2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.755 9.413 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.540 7.735 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.119 8.729 -1.210 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.685 8.181 -5.793 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.898 7.484 -6.804 1.00 0.00 C ATOM 1311 C ASP A 80 0.279 6.752 -6.166 1.00 0.00 C ATOM 1312 O ASP A 80 0.444 5.546 -6.347 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.391 8.471 -7.856 1.00 0.00 C ATOM 1314 CG ASP A 80 0.479 7.804 -8.904 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -0.072 7.084 -9.762 1.00 0.00 O ATOM 1316 OD2 ASP A 80 1.711 8.004 -8.866 1.00 0.00 O ATOM 0 H ASP A 80 -2.088 9.064 -6.107 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.541 6.749 -7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.242 8.947 -8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.178 9.261 -7.365 1.00 0.00 H new ATOM 1321 N SER A 81 1.095 7.490 -5.420 1.00 0.00 N ATOM 1322 CA SER A 81 2.259 6.913 -4.759 1.00 0.00 C ATOM 1323 C SER A 81 1.849 5.763 -3.844 1.00 0.00 C ATOM 1324 O SER A 81 2.381 4.657 -3.943 1.00 0.00 O ATOM 1325 CB SER A 81 2.998 7.983 -3.953 1.00 0.00 C ATOM 1326 OG SER A 81 3.825 8.772 -4.791 1.00 0.00 O ATOM 0 H SER A 81 0.971 8.489 -5.258 1.00 0.00 H new ATOM 0 HA SER A 81 2.926 6.523 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.277 8.622 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.604 7.508 -3.182 1.00 0.00 H new ATOM 0 HG SER A 81 3.607 9.719 -4.668 1.00 0.00 H new ATOM 1332 N MET A 82 0.900 6.033 -2.954 1.00 0.00 N ATOM 1333 CA MET A 82 0.418 5.021 -2.021 1.00 0.00 C ATOM 1334 C MET A 82 -0.048 3.773 -2.765 1.00 0.00 C ATOM 1335 O MET A 82 0.105 2.654 -2.277 1.00 0.00 O ATOM 1336 CB MET A 82 -0.727 5.581 -1.175 1.00 0.00 C ATOM 1337 CG MET A 82 -0.880 4.892 0.172 1.00 0.00 C ATOM 1338 SD MET A 82 -2.008 5.766 1.274 1.00 0.00 S ATOM 1339 CE MET A 82 -3.592 5.252 0.615 1.00 0.00 C ATOM 0 H MET A 82 0.450 6.943 -2.859 1.00 0.00 H new ATOM 0 HA MET A 82 1.244 4.745 -1.365 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.561 6.646 -1.013 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.660 5.485 -1.731 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.244 3.876 0.017 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.097 4.812 0.648 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.179 6.132 0.352 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.435 4.641 -0.274 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.127 4.670 1.366 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.617 3.974 -3.950 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.105 2.866 -4.762 1.00 0.00 C ATOM 1351 C VAL A 83 0.048 2.002 -5.261 1.00 0.00 C ATOM 1352 O VAL A 83 -0.002 0.775 -5.178 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.916 3.370 -5.970 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.417 2.199 -6.802 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.074 4.241 -5.509 1.00 0.00 C ATOM 0 H VAL A 83 -0.751 4.894 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.754 2.267 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.263 3.977 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.988 2.574 -7.651 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.567 1.620 -7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.055 1.563 -6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.636 4.588 -6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.730 3.661 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.687 5.099 -4.960 1.00 0.00 H new ATOM 1365 N GLU A 84 1.086 2.651 -5.779 1.00 0.00 N ATOM 1366 CA GLU A 84 2.251 1.941 -6.293 1.00 0.00 C ATOM 1367 C GLU A 84 2.715 0.873 -5.307 1.00 0.00 C ATOM 1368 O GLU A 84 2.750 -0.314 -5.632 1.00 0.00 O ATOM 1369 CB GLU A 84 3.391 2.923 -6.572 1.00 0.00 C ATOM 1370 CG GLU A 84 3.141 3.821 -7.772 1.00 0.00 C ATOM 1371 CD GLU A 84 3.068 3.048 -9.075 1.00 0.00 C ATOM 1372 OE1 GLU A 84 3.991 2.252 -9.345 1.00 0.00 O ATOM 1373 OE2 GLU A 84 2.087 3.240 -9.824 1.00 0.00 O ATOM 0 H GLU A 84 1.144 3.667 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 84 1.966 1.452 -7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.548 3.544 -5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.311 2.362 -6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.209 4.366 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.937 4.563 -7.838 1.00 0.00 H new ATOM 1380 N ASP A 85 3.072 1.304 -4.102 1.00 0.00 N ATOM 1381 CA ASP A 85 3.534 0.385 -3.067 1.00 0.00 C ATOM 1382 C ASP A 85 2.541 -0.756 -2.871 1.00 0.00 C ATOM 1383 O ASP A 85 2.827 -1.906 -3.205 1.00 0.00 O ATOM 1384 CB ASP A 85 3.739 1.131 -1.748 1.00 0.00 C ATOM 1385 CG ASP A 85 4.873 2.135 -1.821 1.00 0.00 C ATOM 1386 OD1 ASP A 85 4.818 3.029 -2.691 1.00 0.00 O ATOM 1387 OD2 ASP A 85 5.815 2.027 -1.008 1.00 0.00 O ATOM 0 H ASP A 85 3.051 2.283 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 85 4.486 -0.037 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.817 1.647 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.945 0.412 -0.955 1.00 0.00 H new ATOM 1392 N PHE A 86 1.373 -0.431 -2.326 1.00 0.00 N ATOM 1393 CA PHE A 86 0.338 -1.429 -2.084 1.00 0.00 C ATOM 1394 C PHE A 86 0.306 -2.463 -3.205 1.00 0.00 C ATOM 1395 O PHE A 86 0.378 -3.667 -2.958 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.030 -0.756 -1.956 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.371 -0.353 -0.550 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.302 -1.273 0.484 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.760 0.945 -0.262 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -1.615 -0.905 1.780 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.073 1.319 1.031 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.002 0.392 2.053 1.00 0.00 C ATOM 0 H PHE A 86 1.120 0.516 -2.044 1.00 0.00 H new ATOM 0 HA PHE A 86 0.573 -1.939 -1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.052 0.127 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.797 -1.436 -2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.000 -2.289 0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.819 1.673 -1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.557 -1.631 2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.373 2.335 1.242 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.249 0.681 3.064 1.00 0.00 H new ATOM 1412 N VAL A 87 0.197 -1.984 -4.441 1.00 0.00 N ATOM 1413 CA VAL A 87 0.155 -2.865 -5.601 1.00 0.00 C ATOM 1414 C VAL A 87 1.261 -3.913 -5.536 1.00 0.00 C ATOM 1415 O VAL A 87 1.041 -5.082 -5.848 1.00 0.00 O ATOM 1416 CB VAL A 87 0.292 -2.071 -6.914 1.00 0.00 C ATOM 1417 CG1 VAL A 87 0.365 -3.015 -8.104 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.864 -1.094 -7.068 1.00 0.00 C ATOM 0 H VAL A 87 0.136 -0.990 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.815 -3.363 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 87 1.219 -1.499 -6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.462 -2.436 -9.022 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.229 -3.671 -7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.543 -3.616 -8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.752 -0.541 -8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.805 -1.643 -7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.865 -0.396 -6.231 1.00 0.00 H new ATOM 1428 N MET A 88 2.451 -3.484 -5.128 1.00 0.00 N ATOM 1429 CA MET A 88 3.592 -4.386 -5.020 1.00 0.00 C ATOM 1430 C MET A 88 3.298 -5.520 -4.044 1.00 0.00 C ATOM 1431 O MET A 88 3.418 -6.695 -4.389 1.00 0.00 O ATOM 1432 CB MET A 88 4.835 -3.617 -4.568 1.00 0.00 C ATOM 1433 CG MET A 88 6.131 -4.386 -4.769 1.00 0.00 C ATOM 1434 SD MET A 88 7.570 -3.305 -4.882 1.00 0.00 S ATOM 1435 CE MET A 88 7.790 -2.853 -3.163 1.00 0.00 C ATOM 0 H MET A 88 2.650 -2.518 -4.867 1.00 0.00 H new ATOM 0 HA MET A 88 3.778 -4.817 -6.004 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.891 -2.677 -5.117 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.732 -3.364 -3.513 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.268 -5.082 -3.941 1.00 0.00 H new ATOM 0 HG3 MET A 88 6.058 -4.983 -5.678 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.588 -2.115 -3.080 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.863 -2.429 -2.777 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.053 -3.739 -2.585 1.00 0.00 H new ATOM 1445 N MET A 89 2.913 -5.160 -2.824 1.00 0.00 N ATOM 1446 CA MET A 89 2.601 -6.148 -1.798 1.00 0.00 C ATOM 1447 C MET A 89 1.866 -7.342 -2.399 1.00 0.00 C ATOM 1448 O MET A 89 2.097 -8.487 -2.009 1.00 0.00 O ATOM 1449 CB MET A 89 1.753 -5.517 -0.692 1.00 0.00 C ATOM 1450 CG MET A 89 1.321 -6.504 0.381 1.00 0.00 C ATOM 1451 SD MET A 89 1.067 -5.720 1.984 1.00 0.00 S ATOM 1452 CE MET A 89 -0.528 -4.945 1.734 1.00 0.00 C ATOM 0 H MET A 89 2.810 -4.191 -2.522 1.00 0.00 H new ATOM 0 HA MET A 89 3.540 -6.499 -1.370 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.320 -4.711 -0.226 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.866 -5.066 -1.138 1.00 0.00 H new ATOM 0 HG2 MET A 89 0.398 -6.992 0.069 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.077 -7.283 0.478 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.574 -4.015 2.301 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.666 -4.731 0.674 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.316 -5.616 2.075 1.00 0.00 H new ATOM 1462 N PHE A 90 0.979 -7.067 -3.350 1.00 0.00 N ATOM 1463 CA PHE A 90 0.209 -8.119 -4.004 1.00 0.00 C ATOM 1464 C PHE A 90 1.041 -8.816 -5.076 1.00 0.00 C ATOM 1465 O PHE A 90 1.108 -10.044 -5.124 1.00 0.00 O ATOM 1466 CB PHE A 90 -1.062 -7.537 -4.627 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.900 -6.753 -3.659 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -2.166 -7.249 -2.392 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -2.422 -5.520 -4.014 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.937 -6.530 -1.499 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -3.194 -4.796 -3.125 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.451 -5.301 -1.865 1.00 0.00 C ATOM 0 H PHE A 90 0.776 -6.125 -3.685 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.068 -8.855 -3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.786 -6.892 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.661 -8.350 -5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.766 -8.209 -2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.223 -5.120 -4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.138 -6.928 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.596 -3.836 -3.415 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.052 -4.736 -1.168 1.00 0.00 H new ATOM 1482 N ASN A 91 1.673 -8.023 -5.935 1.00 0.00 N ATOM 1483 CA ASN A 91 2.501 -8.563 -7.008 1.00 0.00 C ATOM 1484 C ASN A 91 3.642 -9.403 -6.443 1.00 0.00 C ATOM 1485 O ASN A 91 3.704 -10.612 -6.663 1.00 0.00 O ATOM 1486 CB ASN A 91 3.063 -7.429 -7.867 1.00 0.00 C ATOM 1487 CG ASN A 91 1.975 -6.531 -8.424 1.00 0.00 C ATOM 1488 OD1 ASN A 91 0.786 -6.805 -8.262 1.00 0.00 O ATOM 1489 ND2 ASN A 91 2.379 -5.453 -9.085 1.00 0.00 N ATOM 0 H ASN A 91 1.628 -7.004 -5.909 1.00 0.00 H new ATOM 0 HA ASN A 91 1.875 -9.203 -7.630 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.752 -6.832 -7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.638 -7.852 -8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.693 -4.812 -9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.376 -5.266 -9.195 1.00 0.00 H new ATOM 1496 N ASN A 92 4.544 -8.753 -5.715 1.00 0.00 N ATOM 1497 CA ASN A 92 5.684 -9.440 -5.118 1.00 0.00 C ATOM 1498 C ASN A 92 5.243 -10.727 -4.427 1.00 0.00 C ATOM 1499 O ASN A 92 5.945 -11.736 -4.467 1.00 0.00 O ATOM 1500 CB ASN A 92 6.389 -8.525 -4.115 1.00 0.00 C ATOM 1501 CG ASN A 92 5.624 -8.396 -2.812 1.00 0.00 C ATOM 1502 OD1 ASN A 92 4.399 -8.271 -2.809 1.00 0.00 O ATOM 1503 ND2 ASN A 92 6.344 -8.426 -1.698 1.00 0.00 N ATOM 0 H ASN A 92 4.508 -7.752 -5.524 1.00 0.00 H new ATOM 0 HA ASN A 92 6.380 -9.698 -5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.386 -8.915 -3.910 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.517 -7.537 -4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.884 -8.344 -0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.357 -8.531 -1.748 1.00 0.00 H new ATOM 1510 N ALA A 93 4.075 -10.682 -3.795 1.00 0.00 N ATOM 1511 CA ALA A 93 3.539 -11.844 -3.097 1.00 0.00 C ATOM 1512 C ALA A 93 3.117 -12.929 -4.082 1.00 0.00 C ATOM 1513 O ALA A 93 3.290 -14.120 -3.820 1.00 0.00 O ATOM 1514 CB ALA A 93 2.363 -11.438 -2.221 1.00 0.00 C ATOM 0 H ALA A 93 3.482 -9.853 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 93 4.327 -12.251 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.973 -12.316 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.693 -10.703 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.580 -11.004 -2.842 1.00 0.00 H new ATOM 1520 N CYS A 94 2.564 -12.510 -5.215 1.00 0.00 N ATOM 1521 CA CYS A 94 2.116 -13.448 -6.239 1.00 0.00 C ATOM 1522 C CYS A 94 3.264 -13.828 -7.168 1.00 0.00 C ATOM 1523 O CYS A 94 3.087 -13.934 -8.382 1.00 0.00 O ATOM 1524 CB CYS A 94 0.969 -12.840 -7.049 1.00 0.00 C ATOM 1525 SG CYS A 94 -0.210 -14.055 -7.685 1.00 0.00 S ATOM 0 H CYS A 94 2.415 -11.528 -5.448 1.00 0.00 H new ATOM 0 HA CYS A 94 1.762 -14.350 -5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.435 -12.125 -6.423 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.386 -12.281 -7.887 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.428 -14.963 -6.781 1.00 0.00 H new ATOM 1531 N THR A 95 4.444 -14.032 -6.589 1.00 0.00 N ATOM 1532 CA THR A 95 5.622 -14.398 -7.365 1.00 0.00 C ATOM 1533 C THR A 95 5.919 -15.888 -7.243 1.00 0.00 C ATOM 1534 O THR A 95 5.755 -16.644 -8.201 1.00 0.00 O ATOM 1535 CB THR A 95 6.861 -13.601 -6.914 1.00 0.00 C ATOM 1536 OG1 THR A 95 7.115 -13.835 -5.524 1.00 0.00 O ATOM 1537 CG2 THR A 95 6.663 -12.112 -7.155 1.00 0.00 C ATOM 0 H THR A 95 4.608 -13.950 -5.586 1.00 0.00 H new ATOM 0 HA THR A 95 5.403 -14.158 -8.405 1.00 0.00 H new ATOM 0 HB THR A 95 7.716 -13.938 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.524 -13.269 -4.984 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.550 -11.569 -6.829 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.499 -11.934 -8.218 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.798 -11.764 -6.591 1.00 0.00 H new ATOM 1545 N TYR A 96 6.357 -16.305 -6.060 1.00 0.00 N ATOM 1546 CA TYR A 96 6.679 -17.705 -5.814 1.00 0.00 C ATOM 1547 C TYR A 96 5.675 -18.334 -4.852 1.00 0.00 C ATOM 1548 O TYR A 96 6.038 -19.144 -4.000 1.00 0.00 O ATOM 1549 CB TYR A 96 8.094 -17.833 -5.247 1.00 0.00 C ATOM 1550 CG TYR A 96 8.162 -17.669 -3.746 1.00 0.00 C ATOM 1551 CD1 TYR A 96 7.937 -16.432 -3.152 1.00 0.00 C ATOM 1552 CD2 TYR A 96 8.452 -18.748 -2.921 1.00 0.00 C ATOM 1553 CE1 TYR A 96 7.999 -16.277 -1.781 1.00 0.00 C ATOM 1554 CE2 TYR A 96 8.514 -18.602 -1.549 1.00 0.00 C ATOM 1555 CZ TYR A 96 8.288 -17.365 -0.984 1.00 0.00 C ATOM 1556 OH TYR A 96 8.350 -17.215 0.383 1.00 0.00 O ATOM 0 H TYR A 96 6.497 -15.693 -5.256 1.00 0.00 H new ATOM 0 HA TYR A 96 6.626 -18.236 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.497 -18.809 -5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.733 -17.084 -5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.710 -15.578 -3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 96 8.632 -19.718 -3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.822 -15.309 -1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.738 -19.452 -0.922 1.00 0.00 H new ATOM 0 HH TYR A 96 8.563 -18.077 0.797 1.00 0.00 H new ATOM 1566 N ASN A 97 4.409 -17.955 -4.997 1.00 0.00 N ATOM 1567 CA ASN A 97 3.351 -18.481 -4.142 1.00 0.00 C ATOM 1568 C ASN A 97 2.310 -19.232 -4.966 1.00 0.00 C ATOM 1569 O ASN A 97 1.946 -18.807 -6.061 1.00 0.00 O ATOM 1570 CB ASN A 97 2.682 -17.345 -3.366 1.00 0.00 C ATOM 1571 CG ASN A 97 3.343 -17.092 -2.025 1.00 0.00 C ATOM 1572 OD1 ASN A 97 3.300 -17.937 -1.130 1.00 0.00 O ATOM 1573 ND2 ASN A 97 3.960 -15.925 -1.881 1.00 0.00 N ATOM 0 H ASN A 97 4.091 -17.286 -5.698 1.00 0.00 H new ATOM 0 HA ASN A 97 3.801 -19.178 -3.435 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.715 -16.433 -3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.630 -17.586 -3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.424 -15.699 -1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.970 -15.255 -2.650 1.00 0.00 H new ATOM 1580 N GLU A 98 1.834 -20.352 -4.429 1.00 0.00 N ATOM 1581 CA GLU A 98 0.834 -21.162 -5.115 1.00 0.00 C ATOM 1582 C GLU A 98 -0.540 -20.502 -5.048 1.00 0.00 C ATOM 1583 O GLU A 98 -0.853 -19.755 -4.121 1.00 0.00 O ATOM 1584 CB GLU A 98 0.771 -22.562 -4.500 1.00 0.00 C ATOM 1585 CG GLU A 98 0.336 -22.568 -3.044 1.00 0.00 C ATOM 1586 CD GLU A 98 0.904 -23.742 -2.271 1.00 0.00 C ATOM 1587 OE1 GLU A 98 0.421 -24.876 -2.476 1.00 0.00 O ATOM 1588 OE2 GLU A 98 1.830 -23.528 -1.461 1.00 0.00 O ATOM 0 H GLU A 98 2.125 -20.718 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 98 1.126 -21.246 -6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.079 -23.174 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.753 -23.029 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.652 -21.639 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.752 -22.597 -2.994 1.00 0.00 H new ATOM 1595 N PRO A 99 -1.381 -20.784 -6.054 1.00 0.00 N ATOM 1596 CA PRO A 99 -2.735 -20.229 -6.133 1.00 0.00 C ATOM 1597 C PRO A 99 -3.661 -20.806 -5.068 1.00 0.00 C ATOM 1598 O PRO A 99 -4.848 -20.484 -5.025 1.00 0.00 O ATOM 1599 CB PRO A 99 -3.206 -20.640 -7.531 1.00 0.00 C ATOM 1600 CG PRO A 99 -2.410 -21.857 -7.856 1.00 0.00 C ATOM 1601 CD PRO A 99 -1.074 -21.667 -7.192 1.00 0.00 C ATOM 0 HA PRO A 99 -2.744 -19.152 -5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.275 -20.852 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.030 -19.846 -8.257 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -2.904 -22.756 -7.488 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.297 -21.973 -8.934 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -0.651 -22.616 -6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -0.350 -21.213 -7.869 1.00 0.00 H new ATOM 1609 N GLU A 100 -3.110 -21.659 -4.210 1.00 0.00 N ATOM 1610 CA GLU A 100 -3.889 -22.280 -3.145 1.00 0.00 C ATOM 1611 C GLU A 100 -3.787 -21.472 -1.854 1.00 0.00 C ATOM 1612 O GLU A 100 -4.789 -21.222 -1.185 1.00 0.00 O ATOM 1613 CB GLU A 100 -3.410 -23.713 -2.902 1.00 0.00 C ATOM 1614 CG GLU A 100 -4.269 -24.482 -1.913 1.00 0.00 C ATOM 1615 CD GLU A 100 -3.966 -25.968 -1.910 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -3.573 -26.495 -2.972 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -4.122 -26.604 -0.847 1.00 0.00 O ATOM 0 H GLU A 100 -2.128 -21.936 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.933 -22.301 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.396 -24.248 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.384 -23.687 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.112 -24.081 -0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.321 -24.330 -2.156 1.00 0.00 H new ATOM 1624 N SER A 101 -2.568 -21.067 -1.511 1.00 0.00 N ATOM 1625 CA SER A 101 -2.334 -20.292 -0.299 1.00 0.00 C ATOM 1626 C SER A 101 -3.339 -19.150 -0.181 1.00 0.00 C ATOM 1627 O SER A 101 -3.839 -18.642 -1.186 1.00 0.00 O ATOM 1628 CB SER A 101 -0.909 -19.734 -0.293 1.00 0.00 C ATOM 1629 OG SER A 101 -0.678 -18.911 -1.423 1.00 0.00 O ATOM 0 H SER A 101 -1.728 -21.263 -2.055 1.00 0.00 H new ATOM 0 HA SER A 101 -2.462 -20.955 0.557 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.744 -19.160 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.193 -20.556 -0.286 1.00 0.00 H new ATOM 0 HG SER A 101 -0.768 -19.444 -2.240 1.00 0.00 H new ATOM 1635 N LEU A 102 -3.631 -18.752 1.052 1.00 0.00 N ATOM 1636 CA LEU A 102 -4.576 -17.670 1.303 1.00 0.00 C ATOM 1637 C LEU A 102 -3.987 -16.325 0.891 1.00 0.00 C ATOM 1638 O LEU A 102 -4.707 -15.433 0.440 1.00 0.00 O ATOM 1639 CB LEU A 102 -4.964 -17.638 2.783 1.00 0.00 C ATOM 1640 CG LEU A 102 -6.108 -18.564 3.197 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -5.603 -19.987 3.380 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -6.764 -18.061 4.475 1.00 0.00 C ATOM 0 H LEU A 102 -3.227 -19.162 1.894 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.468 -17.854 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.085 -17.893 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.238 -16.616 3.044 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.855 -18.565 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.431 -20.632 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.179 -20.346 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.836 -20.004 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.576 -18.732 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.025 -18.031 5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.161 -17.059 4.310 1.00 0.00 H new ATOM 1654 N ILE A 103 -2.675 -16.187 1.046 1.00 0.00 N ATOM 1655 CA ILE A 103 -1.989 -14.952 0.686 1.00 0.00 C ATOM 1656 C ILE A 103 -2.085 -14.687 -0.813 1.00 0.00 C ATOM 1657 O ILE A 103 -1.846 -13.570 -1.272 1.00 0.00 O ATOM 1658 CB ILE A 103 -0.505 -14.993 1.095 1.00 0.00 C ATOM 1659 CG1 ILE A 103 0.132 -13.613 0.921 1.00 0.00 C ATOM 1660 CG2 ILE A 103 0.242 -16.034 0.275 1.00 0.00 C ATOM 1661 CD1 ILE A 103 1.357 -13.399 1.783 1.00 0.00 C ATOM 0 H ILE A 103 -2.065 -16.915 1.418 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.484 -14.146 1.227 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.441 -15.273 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.406 -13.478 -0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.607 -12.848 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.290 -16.051 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.200 -17.016 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.172 -15.782 -0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.755 -12.400 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.085 -13.502 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.114 -14.141 1.530 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.439 -15.719 -1.569 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.566 -15.598 -3.017 1.00 0.00 C ATOM 1675 C TYR A 104 -3.881 -14.921 -3.393 1.00 0.00 C ATOM 1676 O TYR A 104 -3.898 -13.767 -3.823 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.483 -16.977 -3.674 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.506 -16.929 -5.185 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.330 -16.792 -5.913 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -3.702 -17.021 -5.886 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -1.345 -16.747 -7.293 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.727 -16.979 -7.266 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.546 -16.842 -7.965 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.566 -16.798 -9.341 1.00 0.00 O ATOM 0 H TYR A 104 -2.643 -16.649 -1.204 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.744 -14.981 -3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.568 -17.471 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.316 -17.587 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.388 -16.719 -5.390 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.629 -17.127 -5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.422 -16.638 -7.843 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.666 -17.053 -7.795 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.490 -16.879 -9.657 1.00 0.00 H new ATOM 1694 N LYS A 105 -4.981 -15.647 -3.228 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.302 -15.119 -3.548 1.00 0.00 C ATOM 1696 C LYS A 105 -6.540 -13.787 -2.844 1.00 0.00 C ATOM 1697 O LYS A 105 -6.868 -12.787 -3.482 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.386 -16.122 -3.146 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.275 -16.593 -1.706 1.00 0.00 C ATOM 1700 CD LYS A 105 -7.871 -17.978 -1.525 1.00 0.00 C ATOM 1701 CE LYS A 105 -9.382 -17.918 -1.363 1.00 0.00 C ATOM 1702 NZ LYS A 105 -9.907 -19.093 -0.612 1.00 0.00 N ATOM 0 H LYS A 105 -4.984 -16.604 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.350 -14.955 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.365 -15.666 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.332 -16.987 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.227 -16.605 -1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.786 -15.887 -1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.621 -18.598 -2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.429 -18.454 -0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.655 -17.001 -0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.851 -17.876 -2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.940 -19.015 -0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.669 -19.967 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.479 -19.119 0.335 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.373 -13.782 -1.526 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.567 -12.572 -0.735 1.00 0.00 C ATOM 1718 C ASP A 106 -5.919 -11.369 -1.414 1.00 0.00 C ATOM 1719 O ASP A 106 -6.525 -10.304 -1.522 1.00 0.00 O ATOM 1720 CB ASP A 106 -5.986 -12.755 0.668 1.00 0.00 C ATOM 1721 CG ASP A 106 -6.895 -13.567 1.569 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -8.072 -13.767 1.201 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -6.430 -14.004 2.642 1.00 0.00 O ATOM 0 H ASP A 106 -6.104 -14.602 -0.983 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.638 -12.388 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.017 -13.248 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.813 -11.777 1.117 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.683 -11.548 -1.869 1.00 0.00 N ATOM 1729 CA ALA A 107 -3.953 -10.478 -2.538 1.00 0.00 C ATOM 1730 C ALA A 107 -4.712 -9.978 -3.763 1.00 0.00 C ATOM 1731 O ALA A 107 -5.201 -8.848 -3.785 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.564 -10.954 -2.934 1.00 0.00 C ATOM 0 H ALA A 107 -4.166 -12.424 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.855 -9.647 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.030 -10.145 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.015 -11.256 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.650 -11.803 -3.612 1.00 0.00 H new ATOM 1738 N LEU A 108 -4.806 -10.826 -4.781 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.506 -10.470 -6.011 1.00 0.00 C ATOM 1740 C LEU A 108 -6.737 -9.621 -5.711 1.00 0.00 C ATOM 1741 O LEU A 108 -6.973 -8.601 -6.358 1.00 0.00 O ATOM 1742 CB LEU A 108 -5.916 -11.732 -6.771 1.00 0.00 C ATOM 1743 CG LEU A 108 -4.774 -12.560 -7.363 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -5.268 -13.942 -7.763 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.161 -11.845 -8.559 1.00 0.00 C ATOM 0 H LEU A 108 -4.407 -11.765 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.826 -9.885 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.488 -12.369 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.586 -11.443 -7.581 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.004 -12.678 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.442 -14.516 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.659 -14.457 -6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.057 -13.845 -8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.350 -12.448 -8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.923 -11.696 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.770 -10.878 -8.243 1.00 0.00 H new ATOM 1757 N VAL A 109 -7.518 -10.048 -4.724 1.00 0.00 N ATOM 1758 CA VAL A 109 -8.723 -9.325 -4.336 1.00 0.00 C ATOM 1759 C VAL A 109 -8.387 -7.924 -3.839 1.00 0.00 C ATOM 1760 O VAL A 109 -8.786 -6.927 -4.444 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.498 -10.076 -3.236 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -10.732 -9.289 -2.820 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -9.879 -11.470 -3.710 1.00 0.00 C ATOM 0 H VAL A 109 -7.338 -10.891 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.349 -9.251 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.851 -10.178 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.267 -9.835 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.430 -8.314 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.385 -9.153 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.426 -11.986 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.508 -11.393 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -8.977 -12.031 -3.953 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.652 -7.853 -2.735 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.261 -6.573 -2.156 1.00 0.00 C ATOM 1775 C LEU A 110 -6.740 -5.625 -3.232 1.00 0.00 C ATOM 1776 O LEU A 110 -6.917 -4.410 -3.142 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.191 -6.781 -1.083 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.543 -7.767 0.032 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.286 -8.428 0.575 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.301 -7.062 1.148 1.00 0.00 C ATOM 0 H LEU A 110 -7.315 -8.668 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.143 -6.125 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.278 -7.124 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.967 -5.815 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.187 -8.542 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.555 -9.126 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.782 -8.967 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.618 -7.665 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.543 -7.779 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.682 -6.266 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.222 -6.635 0.750 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.100 -6.189 -4.251 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.555 -5.395 -5.346 1.00 0.00 C ATOM 1794 C HIS A 111 -6.649 -4.564 -6.010 1.00 0.00 C ATOM 1795 O HIS A 111 -6.458 -3.383 -6.300 1.00 0.00 O ATOM 1796 CB HIS A 111 -4.889 -6.303 -6.381 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.151 -5.554 -7.448 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.803 -6.116 -8.658 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -3.697 -4.280 -7.482 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.165 -5.220 -9.389 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.087 -4.097 -8.699 1.00 0.00 N ATOM 0 H HIS A 111 -5.946 -7.193 -4.341 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.807 -4.718 -4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.195 -6.972 -5.872 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.650 -6.928 -6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.796 -3.544 -6.698 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.773 -5.379 -10.383 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.646 -3.234 -9.018 1.00 0.00 H new ATOM 1810 N LYS A 112 -7.797 -5.189 -6.250 1.00 0.00 N ATOM 1811 CA LYS A 112 -8.923 -4.509 -6.880 1.00 0.00 C ATOM 1812 C LYS A 112 -9.600 -3.556 -5.899 1.00 0.00 C ATOM 1813 O LYS A 112 -9.990 -2.448 -6.265 1.00 0.00 O ATOM 1814 CB LYS A 112 -9.937 -5.530 -7.398 1.00 0.00 C ATOM 1815 CG LYS A 112 -11.188 -4.901 -7.986 1.00 0.00 C ATOM 1816 CD LYS A 112 -11.007 -4.568 -9.457 1.00 0.00 C ATOM 1817 CE LYS A 112 -12.339 -4.279 -10.132 1.00 0.00 C ATOM 1818 NZ LYS A 112 -13.032 -5.530 -10.548 1.00 0.00 N ATOM 0 H LYS A 112 -7.972 -6.167 -6.017 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.541 -3.928 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.460 -6.149 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.223 -6.192 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.029 -5.584 -7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -11.434 -3.994 -7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.352 -3.702 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.515 -5.400 -9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -12.978 -3.719 -9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.174 -3.647 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -13.936 -5.291 -11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -12.433 -6.052 -11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -13.212 -6.122 -9.712 1.00 0.00 H new ATOM 1832 N VAL A 113 -9.734 -3.995 -4.652 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.362 -3.180 -3.618 1.00 0.00 C ATOM 1834 C VAL A 113 -9.771 -1.775 -3.593 1.00 0.00 C ATOM 1835 O VAL A 113 -10.485 -0.794 -3.379 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.201 -3.818 -2.226 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -10.785 -2.913 -1.152 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -10.855 -5.191 -2.190 1.00 0.00 C ATOM 0 H VAL A 113 -9.416 -4.910 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.423 -3.121 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.137 -3.942 -2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.662 -3.381 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.267 -1.954 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.846 -2.754 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.731 -5.627 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.917 -5.094 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.385 -5.837 -2.932 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.464 -1.684 -3.812 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.776 -0.398 -3.815 1.00 0.00 C ATOM 1850 C LEU A 114 -8.042 0.359 -5.112 1.00 0.00 C ATOM 1851 O LEU A 114 -7.982 1.589 -5.150 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.272 -0.602 -3.629 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.383 0.588 -3.995 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.379 1.616 -2.874 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -3.967 0.122 -4.299 1.00 0.00 C ATOM 0 H LEU A 114 -7.859 -2.486 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.161 0.194 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.087 -0.861 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.965 -1.458 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.789 1.059 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.741 2.455 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.395 1.973 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.998 1.158 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.349 0.982 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.551 -0.374 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.986 -0.576 -5.136 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.339 -0.383 -6.173 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.617 0.218 -7.473 1.00 0.00 C ATOM 1869 C LEU A 115 -10.022 0.812 -7.509 1.00 0.00 C ATOM 1870 O LEU A 115 -10.242 1.874 -8.089 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.463 -0.824 -8.582 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.047 -1.354 -8.813 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.059 -2.480 -9.834 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.125 -0.231 -9.265 1.00 0.00 C ATOM 0 H LEU A 115 -8.394 -1.401 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.898 1.021 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.113 -1.669 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.823 -0.389 -9.514 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.669 -1.750 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.043 -2.845 -9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.686 -3.294 -9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.456 -2.110 -10.779 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.122 -0.626 -9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.500 0.195 -10.196 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.092 0.544 -8.499 1.00 0.00 H new ATOM 1886 N GLU A 116 -10.968 0.118 -6.884 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.351 0.578 -6.844 1.00 0.00 C ATOM 1888 C GLU A 116 -12.471 1.874 -6.046 1.00 0.00 C ATOM 1889 O GLU A 116 -13.156 2.810 -6.459 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.252 -0.496 -6.231 1.00 0.00 C ATOM 1891 CG GLU A 116 -12.720 -1.065 -4.926 1.00 0.00 C ATOM 1892 CD GLU A 116 -13.700 -2.011 -4.260 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -14.154 -2.963 -4.927 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -14.013 -1.798 -3.069 1.00 0.00 O ATOM 0 H GLU A 116 -10.802 -0.764 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.672 0.771 -7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -14.241 -0.072 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.375 -1.308 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.785 -1.592 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.490 -0.246 -4.244 1.00 0.00 H new ATOM 1901 N THR A 117 -11.800 1.920 -4.899 1.00 0.00 N ATOM 1902 CA THR A 117 -11.832 3.098 -4.042 1.00 0.00 C ATOM 1903 C THR A 117 -11.537 4.364 -4.837 1.00 0.00 C ATOM 1904 O THR A 117 -12.308 5.323 -4.804 1.00 0.00 O ATOM 1905 CB THR A 117 -10.817 2.981 -2.889 1.00 0.00 C ATOM 1906 OG1 THR A 117 -9.661 2.258 -3.325 1.00 0.00 O ATOM 1907 CG2 THR A 117 -11.439 2.279 -1.691 1.00 0.00 C ATOM 0 H THR A 117 -11.228 1.155 -4.543 1.00 0.00 H new ATOM 0 HA THR A 117 -12.838 3.160 -3.626 1.00 0.00 H new ATOM 0 HB THR A 117 -10.523 3.987 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.453 2.501 -4.251 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.704 2.208 -0.889 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.301 2.848 -1.343 1.00 0.00 H new ATOM 0 HG23 THR A 117 -11.758 1.278 -1.981 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.416 4.361 -5.552 1.00 0.00 N ATOM 1916 CA ARG A 118 -10.019 5.511 -6.356 1.00 0.00 C ATOM 1917 C ARG A 118 -11.237 6.176 -6.991 1.00 0.00 C ATOM 1918 O ARG A 118 -12.268 5.537 -7.200 1.00 0.00 O ATOM 1919 CB ARG A 118 -9.032 5.083 -7.443 1.00 0.00 C ATOM 1920 CG ARG A 118 -7.598 4.972 -6.955 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.980 6.342 -6.723 1.00 0.00 C ATOM 1922 NE ARG A 118 -6.747 7.057 -7.975 1.00 0.00 N ATOM 1923 CZ ARG A 118 -5.850 6.681 -8.879 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -5.105 5.604 -8.672 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -5.696 7.383 -9.995 1.00 0.00 N ATOM 0 H ARG A 118 -9.767 3.575 -5.591 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.534 6.233 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.345 4.120 -7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.073 5.801 -8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.571 4.398 -6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.005 4.424 -7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.637 6.933 -6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.036 6.228 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.303 7.890 -8.165 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.220 5.061 -7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.417 5.318 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -6.267 8.212 -10.159 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.007 7.093 -10.689 1.00 0.00 H new