USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=31 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 70 HIS : no HD1:sc= 0.368 K(o=0.77,f=-0.23) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -131:sc= 0.406 (180deg=0) USER MOD Set 2.1: A 62 MET CE :methyl 169:sc= -0.758 (180deg=-0.767) USER MOD Set 2.2: A 88 MET CE :methyl -135:sc= -0.69 (180deg=-2.18) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.0179 K(o=-3.2,f=-3.9) USER MOD Set 3.2: A 71 MET CE :methyl 165:sc= -3.09 (180deg=-3.77!) USER MOD Set 3.3: A 72 MET CE :methyl 155:sc= -0.109 (180deg=-0.163) USER MOD Single : A 16 MET CE :methyl -155:sc= -0.416 (180deg=-1.35!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 18 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.9) USER MOD Single : A 19 LYS NZ :NH3+ -128:sc= -0.291 (180deg=-0.562) USER MOD Single : A 24 TYR OH : rot 30:sc= -0.43 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0235 K(o=-0.023,f=-1.8!) 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+ -168:sc= 0 (180deg=-0.0566) USER MOD Single : A 39 SER OG : rot -80:sc= -0.886 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 30:sc= -0.313 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 71:sc= 0.168 USER MOD Single : A 59 LYS NZ :NH3+ 157:sc= -0.0577 (180deg=-0.415) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 154:sc= -0.0024 (180deg=-1.19) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.775 X(o=-0.77,f=-0.97) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0744 K(o=-0.074,f=-1.8!) USER MOD Single : A 81 SER OG : rot -90:sc= -0.0184 USER MOD Single : A 82 MET CE :methyl -110:sc= -0.794 (180deg=-4.21!) USER MOD Single : A 89 MET CE :methyl -151:sc= -2.7 (180deg=-4.52!) USER MOD Single : A 91 ASN : amide:sc=-0.000253 X(o=-0.00025,f=-0.5) USER MOD Single : A 92 ASN : amide:sc= -3! C(o=-3!,f=-4.7!) USER MOD Single : A 94 CYS SG : rot -74:sc= 0.331 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 18:sc= 0.696 USER MOD Single : A 97 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.035) USER MOD Single : A 101 SER OG : rot -83:sc= 0.959 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 HE2:sc= -0.464 K(o=-0.46,f=-1.8) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 59:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -7.750 17.804 2.386 1.00 0.00 N ATOM 196 CA PRO A 15 -8.533 16.565 2.344 1.00 0.00 C ATOM 197 C PRO A 15 -7.739 15.398 1.768 1.00 0.00 C ATOM 198 O PRO A 15 -8.026 14.237 2.058 1.00 0.00 O ATOM 199 CB PRO A 15 -9.706 16.918 1.427 1.00 0.00 C ATOM 200 CG PRO A 15 -9.195 18.019 0.563 1.00 0.00 C ATOM 201 CD PRO A 15 -8.233 18.801 1.415 1.00 0.00 C ATOM 0 HA PRO A 15 -8.835 16.239 3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.015 16.059 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.575 17.237 2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.698 17.622 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.011 18.652 0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.416 19.214 0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.724 19.639 1.910 1.00 0.00 H new ATOM 209 N MET A 16 -6.739 15.714 0.951 1.00 0.00 N ATOM 210 CA MET A 16 -5.903 14.690 0.335 1.00 0.00 C ATOM 211 C MET A 16 -5.285 13.783 1.395 1.00 0.00 C ATOM 212 O MET A 16 -5.219 12.567 1.221 1.00 0.00 O ATOM 213 CB MET A 16 -4.800 15.338 -0.504 1.00 0.00 C ATOM 214 CG MET A 16 -5.305 15.957 -1.797 1.00 0.00 C ATOM 215 SD MET A 16 -5.721 14.721 -3.042 1.00 0.00 S ATOM 216 CE MET A 16 -4.160 13.857 -3.198 1.00 0.00 C ATOM 0 H MET A 16 -6.488 16.670 0.700 1.00 0.00 H new ATOM 0 HA MET A 16 -6.534 14.083 -0.314 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.308 16.108 0.090 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.046 14.587 -0.740 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.185 16.564 -1.585 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.544 16.627 -2.196 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.098 13.393 -4.182 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.339 14.564 -3.077 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.092 13.087 -2.429 1.00 0.00 H new ATOM 226 N GLN A 17 -4.835 14.384 2.492 1.00 0.00 N ATOM 227 CA GLN A 17 -4.222 13.629 3.579 1.00 0.00 C ATOM 228 C GLN A 17 -5.198 12.605 4.149 1.00 0.00 C ATOM 229 O GLN A 17 -4.895 11.414 4.210 1.00 0.00 O ATOM 230 CB GLN A 17 -3.754 14.577 4.685 1.00 0.00 C ATOM 231 CG GLN A 17 -3.250 13.860 5.927 1.00 0.00 C ATOM 232 CD GLN A 17 -3.475 14.660 7.195 1.00 0.00 C ATOM 233 OE1 GLN A 17 -4.611 14.850 7.630 1.00 0.00 O ATOM 234 NE2 GLN A 17 -2.390 15.135 7.796 1.00 0.00 N ATOM 0 H GLN A 17 -4.883 15.390 2.652 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.360 13.097 3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.959 15.213 4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.579 15.233 4.964 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.753 12.897 6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.185 13.654 5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.467 14.954 7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.479 15.681 8.653 1.00 0.00 H new ATOM 243 N GLN A 18 -6.368 13.078 4.564 1.00 0.00 N ATOM 244 CA GLN A 18 -7.388 12.202 5.130 1.00 0.00 C ATOM 245 C GLN A 18 -7.654 11.013 4.213 1.00 0.00 C ATOM 246 O GLN A 18 -7.535 9.859 4.624 1.00 0.00 O ATOM 247 CB GLN A 18 -8.684 12.980 5.366 1.00 0.00 C ATOM 248 CG GLN A 18 -8.533 14.130 6.348 1.00 0.00 C ATOM 249 CD GLN A 18 -9.678 15.121 6.267 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.197 15.400 5.186 1.00 0.00 O ATOM 251 NE2 GLN A 18 -10.078 15.658 7.414 1.00 0.00 N ATOM 0 H GLN A 18 -6.634 14.062 4.519 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.020 11.826 6.084 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.042 13.371 4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.447 12.295 5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.473 13.732 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.594 14.648 6.153 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.619 15.397 8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.844 16.331 7.422 1.00 0.00 H new ATOM 260 N LYS A 19 -8.016 11.302 2.967 1.00 0.00 N ATOM 261 CA LYS A 19 -8.298 10.258 1.990 1.00 0.00 C ATOM 262 C LYS A 19 -7.246 9.155 2.052 1.00 0.00 C ATOM 263 O LYS A 19 -7.570 7.985 2.257 1.00 0.00 O ATOM 264 CB LYS A 19 -8.350 10.850 0.580 1.00 0.00 C ATOM 265 CG LYS A 19 -8.708 9.837 -0.493 1.00 0.00 C ATOM 266 CD LYS A 19 -9.420 10.493 -1.664 1.00 0.00 C ATOM 267 CE LYS A 19 -8.451 11.278 -2.536 1.00 0.00 C ATOM 268 NZ LYS A 19 -8.192 12.639 -1.990 1.00 0.00 N ATOM 0 H LYS A 19 -8.121 12.252 2.610 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.268 9.824 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.080 11.659 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.381 11.290 0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.802 9.345 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.346 9.063 -0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.915 9.730 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.198 11.159 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.510 10.733 -2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.856 11.362 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.353 13.348 -2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.835 12.821 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.207 12.700 -1.661 1.00 0.00 H new ATOM 282 N LEU A 20 -5.986 9.537 1.875 1.00 0.00 N ATOM 283 CA LEU A 20 -4.885 8.580 1.913 1.00 0.00 C ATOM 284 C LEU A 20 -5.091 7.555 3.024 1.00 0.00 C ATOM 285 O LEU A 20 -5.292 6.371 2.759 1.00 0.00 O ATOM 286 CB LEU A 20 -3.556 9.310 2.117 1.00 0.00 C ATOM 287 CG LEU A 20 -2.826 9.743 0.845 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.774 10.794 1.165 1.00 0.00 C ATOM 289 CD2 LEU A 20 -2.190 8.542 0.160 1.00 0.00 C ATOM 0 H LEU A 20 -5.701 10.501 1.704 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.861 8.054 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.740 10.195 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.893 8.662 2.690 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.554 10.182 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.265 11.090 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.254 11.665 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.048 10.381 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.675 8.869 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.475 8.074 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.964 7.822 -0.104 1.00 0.00 H new ATOM 301 N ASN A 21 -5.042 8.021 4.268 1.00 0.00 N ATOM 302 CA ASN A 21 -5.225 7.145 5.419 1.00 0.00 C ATOM 303 C ASN A 21 -6.508 6.330 5.284 1.00 0.00 C ATOM 304 O ASN A 21 -6.494 5.107 5.415 1.00 0.00 O ATOM 305 CB ASN A 21 -5.263 7.966 6.710 1.00 0.00 C ATOM 306 CG ASN A 21 -4.962 7.127 7.937 1.00 0.00 C ATOM 307 OD1 ASN A 21 -5.862 6.787 8.705 1.00 0.00 O ATOM 308 ND2 ASN A 21 -3.691 6.791 8.127 1.00 0.00 N ATOM 0 H ASN A 21 -4.877 8.999 4.504 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.381 6.457 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.540 8.778 6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.247 8.423 6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.428 6.228 8.936 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.978 7.095 7.464 1.00 0.00 H new ATOM 315 N GLU A 22 -7.615 7.018 5.021 1.00 0.00 N ATOM 316 CA GLU A 22 -8.906 6.357 4.868 1.00 0.00 C ATOM 317 C GLU A 22 -8.790 5.142 3.952 1.00 0.00 C ATOM 318 O GLU A 22 -9.001 4.007 4.379 1.00 0.00 O ATOM 319 CB GLU A 22 -9.941 7.335 4.308 1.00 0.00 C ATOM 320 CG GLU A 22 -10.487 8.303 5.345 1.00 0.00 C ATOM 321 CD GLU A 22 -11.907 8.742 5.043 1.00 0.00 C ATOM 322 OE1 GLU A 22 -12.804 7.873 5.017 1.00 0.00 O ATOM 323 OE2 GLU A 22 -12.120 9.954 4.832 1.00 0.00 O ATOM 0 H GLU A 22 -7.644 8.031 4.910 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.231 6.019 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.489 7.903 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.769 6.769 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.458 7.832 6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.842 9.180 5.393 1.00 0.00 H new ATOM 330 N VAL A 23 -8.455 5.390 2.690 1.00 0.00 N ATOM 331 CA VAL A 23 -8.311 4.317 1.713 1.00 0.00 C ATOM 332 C VAL A 23 -7.540 3.140 2.299 1.00 0.00 C ATOM 333 O VAL A 23 -7.991 1.996 2.237 1.00 0.00 O ATOM 334 CB VAL A 23 -7.590 4.808 0.443 1.00 0.00 C ATOM 335 CG1 VAL A 23 -7.431 3.670 -0.554 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.343 5.973 -0.180 1.00 0.00 C ATOM 0 H VAL A 23 -8.278 6.324 2.320 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.317 3.992 1.448 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.595 5.156 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.920 4.035 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.845 2.870 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.414 3.289 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.820 6.307 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.351 5.654 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.399 6.794 0.535 1.00 0.00 H new ATOM 346 N TYR A 24 -6.375 3.428 2.869 1.00 0.00 N ATOM 347 CA TYR A 24 -5.539 2.392 3.465 1.00 0.00 C ATOM 348 C TYR A 24 -6.342 1.541 4.445 1.00 0.00 C ATOM 349 O TYR A 24 -6.285 0.313 4.406 1.00 0.00 O ATOM 350 CB TYR A 24 -4.343 3.022 4.181 1.00 0.00 C ATOM 351 CG TYR A 24 -3.592 2.057 5.069 1.00 0.00 C ATOM 352 CD1 TYR A 24 -4.110 1.666 6.298 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.365 1.534 4.679 1.00 0.00 C ATOM 354 CE1 TYR A 24 -3.426 0.785 7.114 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.676 0.651 5.488 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.210 0.280 6.704 1.00 0.00 C ATOM 357 OH TYR A 24 -1.527 -0.600 7.512 1.00 0.00 O ATOM 0 H TYR A 24 -5.988 4.370 2.931 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.177 1.748 2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.657 3.427 3.437 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.692 3.861 4.783 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.063 2.057 6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.943 1.823 3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.841 0.494 8.067 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.724 0.253 5.170 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.166 -1.118 8.045 1.00 0.00 H new ATOM 367 N GLU A 25 -7.090 2.205 5.320 1.00 0.00 N ATOM 368 CA GLU A 25 -7.904 1.510 6.310 1.00 0.00 C ATOM 369 C GLU A 25 -8.959 0.640 5.633 1.00 0.00 C ATOM 370 O GLU A 25 -9.104 -0.540 5.953 1.00 0.00 O ATOM 371 CB GLU A 25 -8.581 2.516 7.244 1.00 0.00 C ATOM 372 CG GLU A 25 -7.615 3.220 8.183 1.00 0.00 C ATOM 373 CD GLU A 25 -8.247 4.404 8.889 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.005 5.150 8.233 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.983 4.586 10.095 1.00 0.00 O ATOM 0 H GLU A 25 -7.149 3.222 5.364 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.247 0.866 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.101 3.263 6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.337 1.999 7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.253 2.509 8.926 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.747 3.560 7.618 1.00 0.00 H new ATOM 382 N ALA A 26 -9.692 1.231 4.696 1.00 0.00 N ATOM 383 CA ALA A 26 -10.732 0.510 3.972 1.00 0.00 C ATOM 384 C ALA A 26 -10.267 -0.893 3.595 1.00 0.00 C ATOM 385 O ALA A 26 -11.009 -1.864 3.744 1.00 0.00 O ATOM 386 CB ALA A 26 -11.143 1.284 2.728 1.00 0.00 C ATOM 0 H ALA A 26 -9.585 2.207 4.420 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.597 0.414 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.920 0.734 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.525 2.263 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.279 1.411 2.076 1.00 0.00 H new ATOM 392 N VAL A 27 -9.035 -0.991 3.106 1.00 0.00 N ATOM 393 CA VAL A 27 -8.471 -2.275 2.708 1.00 0.00 C ATOM 394 C VAL A 27 -8.212 -3.162 3.921 1.00 0.00 C ATOM 395 O VAL A 27 -8.439 -4.371 3.881 1.00 0.00 O ATOM 396 CB VAL A 27 -7.155 -2.093 1.929 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.563 -3.444 1.557 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.385 -1.243 0.688 1.00 0.00 C ATOM 0 H VAL A 27 -8.409 -0.197 2.976 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.205 -2.755 2.060 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.442 -1.575 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.634 -3.295 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.361 -4.015 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.270 -3.992 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.445 -1.124 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.114 -1.732 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.761 -0.263 0.983 1.00 0.00 H new ATOM 408 N LYS A 28 -7.736 -2.552 5.001 1.00 0.00 N ATOM 409 CA LYS A 28 -7.447 -3.283 6.229 1.00 0.00 C ATOM 410 C LYS A 28 -8.721 -3.878 6.820 1.00 0.00 C ATOM 411 O LYS A 28 -8.786 -5.074 7.104 1.00 0.00 O ATOM 412 CB LYS A 28 -6.780 -2.361 7.252 1.00 0.00 C ATOM 413 CG LYS A 28 -6.015 -3.105 8.333 1.00 0.00 C ATOM 414 CD LYS A 28 -5.013 -2.199 9.030 1.00 0.00 C ATOM 415 CE LYS A 28 -5.666 -1.404 10.150 1.00 0.00 C ATOM 416 NZ LYS A 28 -5.813 -2.212 11.391 1.00 0.00 N ATOM 0 H LYS A 28 -7.542 -1.552 5.051 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.765 -4.098 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.097 -1.689 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.543 -1.740 7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.716 -3.506 9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.494 -3.955 7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.199 -2.799 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.574 -1.514 8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.068 -0.518 10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.647 -1.057 9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.262 -1.634 12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.405 -3.045 11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.875 -2.522 11.716 1.00 0.00 H new ATOM 430 N ASN A 29 -9.733 -3.036 7.003 1.00 0.00 N ATOM 431 CA ASN A 29 -11.006 -3.479 7.560 1.00 0.00 C ATOM 432 C ASN A 29 -11.658 -4.525 6.661 1.00 0.00 C ATOM 433 O ASN A 29 -12.259 -5.486 7.143 1.00 0.00 O ATOM 434 CB ASN A 29 -11.949 -2.288 7.743 1.00 0.00 C ATOM 435 CG ASN A 29 -11.568 -1.427 8.932 1.00 0.00 C ATOM 436 OD1 ASN A 29 -10.809 -1.852 9.803 1.00 0.00 O ATOM 437 ND2 ASN A 29 -12.094 -0.208 8.972 1.00 0.00 N ATOM 0 H ASN A 29 -9.696 -2.043 6.774 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.811 -3.932 8.532 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.940 -1.679 6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.968 -2.652 7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.873 0.418 9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.719 0.103 8.228 1.00 0.00 H new ATOM 444 N TYR A 30 -11.536 -4.331 5.352 1.00 0.00 N ATOM 445 CA TYR A 30 -12.115 -5.256 4.385 1.00 0.00 C ATOM 446 C TYR A 30 -11.775 -6.700 4.742 1.00 0.00 C ATOM 447 O TYR A 30 -10.605 -7.075 4.819 1.00 0.00 O ATOM 448 CB TYR A 30 -11.612 -4.935 2.977 1.00 0.00 C ATOM 449 CG TYR A 30 -12.276 -5.757 1.895 1.00 0.00 C ATOM 450 CD1 TYR A 30 -11.960 -7.099 1.722 1.00 0.00 C ATOM 451 CD2 TYR A 30 -13.219 -5.191 1.045 1.00 0.00 C ATOM 452 CE1 TYR A 30 -12.564 -7.853 0.735 1.00 0.00 C ATOM 453 CE2 TYR A 30 -13.828 -5.938 0.056 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.497 -7.268 -0.095 1.00 0.00 C ATOM 455 OH TYR A 30 -14.101 -8.016 -1.080 1.00 0.00 O ATOM 0 H TYR A 30 -11.041 -3.542 4.937 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.198 -5.139 4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.780 -3.878 2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.535 -5.101 2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.230 -7.560 2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -13.480 -4.149 1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.307 -8.895 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -14.559 -5.483 -0.596 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.733 -7.455 -1.575 1.00 0.00 H new ATOM 465 N THR A 31 -12.809 -7.508 4.958 1.00 0.00 N ATOM 466 CA THR A 31 -12.622 -8.911 5.306 1.00 0.00 C ATOM 467 C THR A 31 -13.222 -9.826 4.245 1.00 0.00 C ATOM 468 O THR A 31 -13.960 -9.375 3.368 1.00 0.00 O ATOM 469 CB THR A 31 -13.258 -9.240 6.670 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.560 -8.650 6.759 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.387 -8.734 7.810 1.00 0.00 C ATOM 0 H THR A 31 -13.784 -7.215 4.898 1.00 0.00 H new ATOM 0 HA THR A 31 -11.547 -9.082 5.363 1.00 0.00 H new ATOM 0 HB THR A 31 -13.344 -10.323 6.754 1.00 0.00 H new ATOM 0 HG1 THR A 31 -14.958 -8.865 7.628 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.857 -8.978 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.407 -9.208 7.757 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.272 -7.653 7.728 1.00 0.00 H new ATOM 479 N ASP A 32 -12.901 -11.112 4.329 1.00 0.00 N ATOM 480 CA ASP A 32 -13.410 -12.092 3.376 1.00 0.00 C ATOM 481 C ASP A 32 -14.823 -12.530 3.749 1.00 0.00 C ATOM 482 O ASP A 32 -15.413 -12.016 4.700 1.00 0.00 O ATOM 483 CB ASP A 32 -12.484 -13.307 3.318 1.00 0.00 C ATOM 484 CG ASP A 32 -11.810 -13.586 4.647 1.00 0.00 C ATOM 485 OD1 ASP A 32 -12.349 -13.155 5.688 1.00 0.00 O ATOM 486 OD2 ASP A 32 -10.743 -14.236 4.646 1.00 0.00 O ATOM 0 H ASP A 32 -12.290 -11.501 5.048 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.443 -11.623 2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.057 -14.183 3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.723 -13.144 2.555 1.00 0.00 H new ATOM 491 N LYS A 33 -15.360 -13.482 2.995 1.00 0.00 N ATOM 492 CA LYS A 33 -16.703 -13.991 3.245 1.00 0.00 C ATOM 493 C LYS A 33 -16.794 -14.630 4.627 1.00 0.00 C ATOM 494 O LYS A 33 -17.884 -14.800 5.172 1.00 0.00 O ATOM 495 CB LYS A 33 -17.092 -15.012 2.173 1.00 0.00 C ATOM 496 CG LYS A 33 -17.092 -14.444 0.764 1.00 0.00 C ATOM 497 CD LYS A 33 -17.305 -15.531 -0.275 1.00 0.00 C ATOM 498 CE LYS A 33 -15.992 -16.187 -0.674 1.00 0.00 C ATOM 499 NZ LYS A 33 -15.184 -15.311 -1.568 1.00 0.00 N ATOM 0 H LYS A 33 -14.885 -13.918 2.204 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.396 -13.151 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.401 -15.853 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -18.084 -15.403 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.877 -13.694 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.145 -13.939 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.984 -16.286 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.782 -15.104 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.416 -16.422 0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.196 -17.131 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.403 -15.861 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.787 -14.942 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.797 -14.517 -1.019 1.00 0.00 H new ATOM 513 N ARG A 34 -15.642 -14.982 5.188 1.00 0.00 N ATOM 514 CA ARG A 34 -15.592 -15.602 6.507 1.00 0.00 C ATOM 515 C ARG A 34 -15.310 -14.562 7.587 1.00 0.00 C ATOM 516 O ARG A 34 -15.660 -14.750 8.751 1.00 0.00 O ATOM 517 CB ARG A 34 -14.518 -16.692 6.541 1.00 0.00 C ATOM 518 CG ARG A 34 -13.122 -16.181 6.224 1.00 0.00 C ATOM 519 CD ARG A 34 -12.293 -17.236 5.508 1.00 0.00 C ATOM 520 NE ARG A 34 -11.553 -18.078 6.444 1.00 0.00 N ATOM 521 CZ ARG A 34 -11.144 -19.310 6.159 1.00 0.00 C ATOM 522 NH1 ARG A 34 -11.402 -19.839 4.971 1.00 0.00 N ATOM 523 NH2 ARG A 34 -10.475 -20.014 7.064 1.00 0.00 N ATOM 0 H ARG A 34 -14.731 -14.849 4.750 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.564 -16.052 6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.511 -17.153 7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -14.781 -17.472 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.192 -15.288 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.622 -15.888 7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.947 -17.859 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.594 -16.748 4.828 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.338 -17.700 7.367 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.915 -19.300 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.087 -20.785 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.275 -19.609 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.161 -20.959 6.845 1.00 0.00 H new ATOM 537 N GLY A 35 -14.675 -13.462 7.191 1.00 0.00 N ATOM 538 CA GLY A 35 -14.357 -12.409 8.137 1.00 0.00 C ATOM 539 C GLY A 35 -12.865 -12.257 8.356 1.00 0.00 C ATOM 540 O GLY A 35 -12.393 -11.187 8.740 1.00 0.00 O ATOM 0 H GLY A 35 -14.376 -13.282 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -14.766 -11.465 7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -14.841 -12.623 9.090 1.00 0.00 H new ATOM 544 N ARG A 36 -12.121 -13.332 8.113 1.00 0.00 N ATOM 545 CA ARG A 36 -10.674 -13.314 8.289 1.00 0.00 C ATOM 546 C ARG A 36 -10.042 -12.181 7.486 1.00 0.00 C ATOM 547 O ARG A 36 -10.337 -12.006 6.303 1.00 0.00 O ATOM 548 CB ARG A 36 -10.071 -14.654 7.863 1.00 0.00 C ATOM 549 CG ARG A 36 -8.579 -14.764 8.133 1.00 0.00 C ATOM 550 CD ARG A 36 -7.895 -15.671 7.123 1.00 0.00 C ATOM 551 NE ARG A 36 -6.621 -16.183 7.621 1.00 0.00 N ATOM 552 CZ ARG A 36 -5.696 -16.733 6.843 1.00 0.00 C ATOM 553 NH1 ARG A 36 -5.901 -16.841 5.537 1.00 0.00 N ATOM 554 NH2 ARG A 36 -4.562 -17.176 7.370 1.00 0.00 N ATOM 0 H ARG A 36 -12.496 -14.225 7.794 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.464 -13.148 9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.587 -15.458 8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.251 -14.802 6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.128 -13.772 8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.418 -15.151 9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.552 -16.507 6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.727 -15.121 6.197 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.431 -16.114 8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.771 -16.501 5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.188 -17.264 4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.400 -17.094 8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.852 -17.598 6.771 1.00 0.00 H new ATOM 568 N ARG A 37 -9.172 -11.415 8.136 1.00 0.00 N ATOM 569 CA ARG A 37 -8.500 -10.298 7.482 1.00 0.00 C ATOM 570 C ARG A 37 -7.553 -10.795 6.394 1.00 0.00 C ATOM 571 O ARG A 37 -6.770 -11.721 6.612 1.00 0.00 O ATOM 572 CB ARG A 37 -7.725 -9.471 8.509 1.00 0.00 C ATOM 573 CG ARG A 37 -8.604 -8.542 9.331 1.00 0.00 C ATOM 574 CD ARG A 37 -8.832 -7.217 8.620 1.00 0.00 C ATOM 575 NE ARG A 37 -9.556 -6.264 9.457 1.00 0.00 N ATOM 576 CZ ARG A 37 -8.970 -5.487 10.361 1.00 0.00 C ATOM 577 NH1 ARG A 37 -7.659 -5.549 10.543 1.00 0.00 N ATOM 578 NH2 ARG A 37 -9.697 -4.645 11.084 1.00 0.00 N ATOM 0 H ARG A 37 -8.916 -11.547 9.114 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.260 -9.670 7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.195 -10.146 9.181 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.970 -8.879 7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.563 -9.023 9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.138 -8.361 10.300 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.871 -6.790 8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.392 -7.390 7.701 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.567 -6.191 9.341 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.097 -6.195 9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.212 -4.951 11.238 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.706 -4.594 10.946 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.247 -4.049 11.778 1.00 0.00 H new ATOM 592 N LEU A 38 -7.630 -10.175 5.222 1.00 0.00 N ATOM 593 CA LEU A 38 -6.780 -10.554 4.098 1.00 0.00 C ATOM 594 C LEU A 38 -5.482 -9.753 4.103 1.00 0.00 C ATOM 595 O LEU A 38 -4.484 -10.165 3.512 1.00 0.00 O ATOM 596 CB LEU A 38 -7.521 -10.339 2.777 1.00 0.00 C ATOM 597 CG LEU A 38 -8.732 -11.240 2.533 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.957 -10.693 3.251 1.00 0.00 C ATOM 599 CD2 LEU A 38 -9.003 -11.377 1.042 1.00 0.00 C ATOM 0 H LEU A 38 -8.272 -9.408 5.025 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.534 -11.611 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.851 -9.301 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.815 -10.484 1.959 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.512 -12.229 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.809 -11.347 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.761 -10.647 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.180 -9.693 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.868 -12.022 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.202 -10.393 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.133 -11.814 0.553 1.00 0.00 H new ATOM 611 N SER A 39 -5.503 -8.606 4.775 1.00 0.00 N ATOM 612 CA SER A 39 -4.328 -7.746 4.855 1.00 0.00 C ATOM 613 C SER A 39 -3.494 -8.080 6.088 1.00 0.00 C ATOM 614 O SER A 39 -2.269 -7.955 6.074 1.00 0.00 O ATOM 615 CB SER A 39 -4.748 -6.275 4.893 1.00 0.00 C ATOM 616 OG SER A 39 -5.581 -6.011 6.009 1.00 0.00 O ATOM 0 H SER A 39 -6.320 -8.251 5.272 1.00 0.00 H new ATOM 0 HA SER A 39 -3.720 -7.920 3.968 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.862 -5.642 4.939 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.275 -6.020 3.974 1.00 0.00 H new ATOM 0 HG SER A 39 -6.496 -6.299 5.809 1.00 0.00 H new ATOM 622 N ALA A 40 -4.166 -8.505 7.152 1.00 0.00 N ATOM 623 CA ALA A 40 -3.488 -8.859 8.393 1.00 0.00 C ATOM 624 C ALA A 40 -2.192 -9.613 8.114 1.00 0.00 C ATOM 625 O ALA A 40 -1.132 -9.256 8.629 1.00 0.00 O ATOM 626 CB ALA A 40 -4.405 -9.691 9.277 1.00 0.00 C ATOM 0 H ALA A 40 -5.180 -8.613 7.180 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.236 -7.937 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.886 -9.948 10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.302 -9.118 9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.686 -10.604 8.752 1.00 0.00 H new ATOM 632 N ILE A 41 -2.284 -10.657 7.298 1.00 0.00 N ATOM 633 CA ILE A 41 -1.119 -11.461 6.951 1.00 0.00 C ATOM 634 C ILE A 41 0.017 -10.586 6.430 1.00 0.00 C ATOM 635 O ILE A 41 1.191 -10.860 6.681 1.00 0.00 O ATOM 636 CB ILE A 41 -1.462 -12.522 5.889 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.362 -13.584 5.824 1.00 0.00 C ATOM 638 CG2 ILE A 41 -1.656 -11.868 4.530 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.868 -14.954 5.430 1.00 0.00 C ATOM 0 H ILE A 41 -3.154 -10.966 6.864 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.799 -11.963 7.864 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.395 -13.009 6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.397 -13.266 5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.125 -13.651 6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.898 -12.631 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.471 -11.146 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.739 -11.357 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.035 -15.656 5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.605 -15.293 6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.329 -14.902 4.444 1.00 0.00 H new ATOM 651 N PHE A 42 -0.341 -9.532 5.705 1.00 0.00 N ATOM 652 CA PHE A 42 0.648 -8.615 5.149 1.00 0.00 C ATOM 653 C PHE A 42 1.109 -7.610 6.200 1.00 0.00 C ATOM 654 O PHE A 42 2.296 -7.292 6.294 1.00 0.00 O ATOM 655 CB PHE A 42 0.068 -7.877 3.941 1.00 0.00 C ATOM 656 CG PHE A 42 -0.159 -8.763 2.750 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.902 -9.416 2.143 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.434 -8.944 2.237 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.695 -10.231 1.046 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.646 -9.758 1.141 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.581 -10.404 0.545 1.00 0.00 C ATOM 0 H PHE A 42 -1.308 -9.291 5.488 1.00 0.00 H new ATOM 0 HA PHE A 42 1.510 -9.200 4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.878 -7.416 4.226 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.744 -7.070 3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.901 -9.287 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.271 -8.443 2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.531 -10.733 0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.644 -9.889 0.751 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.745 -11.043 -0.310 1.00 0.00 H new ATOM 671 N LEU A 43 0.163 -7.112 6.989 1.00 0.00 N ATOM 672 CA LEU A 43 0.471 -6.141 8.034 1.00 0.00 C ATOM 673 C LEU A 43 1.788 -6.482 8.723 1.00 0.00 C ATOM 674 O LEU A 43 2.773 -5.754 8.595 1.00 0.00 O ATOM 675 CB LEU A 43 -0.659 -6.096 9.064 1.00 0.00 C ATOM 676 CG LEU A 43 -1.956 -5.426 8.608 1.00 0.00 C ATOM 677 CD1 LEU A 43 -3.014 -5.516 9.697 1.00 0.00 C ATOM 678 CD2 LEU A 43 -1.701 -3.975 8.227 1.00 0.00 C ATOM 0 H LEU A 43 -0.823 -7.364 6.925 1.00 0.00 H new ATOM 0 HA LEU A 43 0.569 -5.161 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.888 -7.118 9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.296 -5.575 9.950 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.325 -5.952 7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.930 -5.034 9.355 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.217 -6.563 9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.654 -5.015 10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.635 -3.514 7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.309 -3.436 9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.977 -3.934 7.413 1.00 0.00 H new ATOM 690 N ARG A 44 1.799 -7.594 9.451 1.00 0.00 N ATOM 691 CA ARG A 44 2.996 -8.031 10.159 1.00 0.00 C ATOM 692 C ARG A 44 3.614 -9.251 9.481 1.00 0.00 C ATOM 693 O ARG A 44 2.984 -10.305 9.381 1.00 0.00 O ATOM 694 CB ARG A 44 2.662 -8.359 11.615 1.00 0.00 C ATOM 695 CG ARG A 44 2.511 -7.130 12.497 1.00 0.00 C ATOM 696 CD ARG A 44 2.510 -7.500 13.972 1.00 0.00 C ATOM 697 NE ARG A 44 3.842 -7.865 14.446 1.00 0.00 N ATOM 698 CZ ARG A 44 4.759 -6.978 14.816 1.00 0.00 C ATOM 699 NH1 ARG A 44 4.490 -5.681 14.767 1.00 0.00 N ATOM 700 NH2 ARG A 44 5.949 -7.389 15.236 1.00 0.00 N ATOM 0 H ARG A 44 0.993 -8.208 9.566 1.00 0.00 H new ATOM 0 HA ARG A 44 3.720 -7.217 10.134 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.736 -8.934 11.646 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.446 -8.995 12.024 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.325 -6.434 12.296 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.583 -6.615 12.249 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.135 -6.660 14.556 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.826 -8.333 14.136 1.00 0.00 H new ATOM 0 HE ARG A 44 4.081 -8.855 14.496 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.577 -5.361 14.444 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.196 -5.003 15.052 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.160 -8.386 15.275 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.653 -6.708 15.520 1.00 0.00 H new ATOM 714 N LEU A 45 4.849 -9.101 9.015 1.00 0.00 N ATOM 715 CA LEU A 45 5.552 -10.189 8.346 1.00 0.00 C ATOM 716 C LEU A 45 6.524 -10.877 9.299 1.00 0.00 C ATOM 717 O LEU A 45 6.990 -10.293 10.277 1.00 0.00 O ATOM 718 CB LEU A 45 6.305 -9.661 7.124 1.00 0.00 C ATOM 719 CG LEU A 45 5.446 -9.293 5.913 1.00 0.00 C ATOM 720 CD1 LEU A 45 6.314 -8.755 4.787 1.00 0.00 C ATOM 721 CD2 LEU A 45 4.644 -10.497 5.442 1.00 0.00 C ATOM 0 H LEU A 45 5.384 -8.236 9.088 1.00 0.00 H new ATOM 0 HA LEU A 45 4.812 -10.921 8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.871 -8.779 7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.029 -10.415 6.815 1.00 0.00 H new ATOM 0 HG LEU A 45 4.748 -8.511 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.686 -8.499 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.843 -7.865 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.037 -9.515 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.039 -10.216 4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.325 -11.301 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.993 -10.838 6.247 1.00 0.00 H new ATOM 733 N PRO A 46 6.841 -12.147 9.007 1.00 0.00 N ATOM 734 CA PRO A 46 7.763 -12.941 9.824 1.00 0.00 C ATOM 735 C PRO A 46 9.204 -12.454 9.712 1.00 0.00 C ATOM 736 O PRO A 46 9.870 -12.685 8.703 1.00 0.00 O ATOM 737 CB PRO A 46 7.629 -14.351 9.243 1.00 0.00 C ATOM 738 CG PRO A 46 7.183 -14.140 7.837 1.00 0.00 C ATOM 739 CD PRO A 46 6.323 -12.906 7.856 1.00 0.00 C ATOM 0 HA PRO A 46 7.523 -12.878 10.885 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.577 -14.887 9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.905 -14.943 9.803 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.037 -14.010 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.623 -15.001 7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.412 -12.340 6.929 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.268 -13.153 7.979 1.00 0.00 H new ATOM 747 N SER A 47 9.678 -11.778 10.754 1.00 0.00 N ATOM 748 CA SER A 47 11.039 -11.255 10.770 1.00 0.00 C ATOM 749 C SER A 47 12.012 -12.253 10.150 1.00 0.00 C ATOM 750 O SER A 47 11.749 -13.455 10.119 1.00 0.00 O ATOM 751 CB SER A 47 11.466 -10.931 12.203 1.00 0.00 C ATOM 752 OG SER A 47 10.635 -9.933 12.770 1.00 0.00 O ATOM 0 H SER A 47 9.140 -11.580 11.598 1.00 0.00 H new ATOM 0 HA SER A 47 11.058 -10.340 10.177 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.422 -11.834 12.812 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.502 -10.592 12.209 1.00 0.00 H new ATOM 0 HG SER A 47 10.928 -9.745 13.686 1.00 0.00 H new ATOM 758 N ARG A 48 13.137 -11.745 9.658 1.00 0.00 N ATOM 759 CA ARG A 48 14.150 -12.591 9.037 1.00 0.00 C ATOM 760 C ARG A 48 14.371 -13.861 9.853 1.00 0.00 C ATOM 761 O ARG A 48 14.610 -14.933 9.297 1.00 0.00 O ATOM 762 CB ARG A 48 15.467 -11.826 8.897 1.00 0.00 C ATOM 763 CG ARG A 48 16.135 -11.514 10.227 1.00 0.00 C ATOM 764 CD ARG A 48 17.087 -12.624 10.645 1.00 0.00 C ATOM 765 NE ARG A 48 17.882 -12.252 11.812 1.00 0.00 N ATOM 766 CZ ARG A 48 18.862 -13.002 12.304 1.00 0.00 C ATOM 767 NH1 ARG A 48 19.166 -14.159 11.732 1.00 0.00 N ATOM 768 NH2 ARG A 48 19.540 -12.596 13.369 1.00 0.00 N ATOM 0 H ARG A 48 13.370 -10.752 9.677 1.00 0.00 H new ATOM 0 HA ARG A 48 13.795 -12.874 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.153 -12.410 8.284 1.00 0.00 H new ATOM 0 HB3 ARG A 48 15.280 -10.893 8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 48 16.682 -10.574 10.149 1.00 0.00 H new ATOM 0 HG3 ARG A 48 15.374 -11.378 10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 48 16.517 -13.526 10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 48 17.752 -12.863 9.815 1.00 0.00 H new ATOM 0 HE ARG A 48 17.673 -11.367 12.275 1.00 0.00 H new ATOM 0 HH11 ARG A 48 18.647 -14.475 10.913 1.00 0.00 H new ATOM 0 HH12 ARG A 48 19.919 -14.733 12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 48 19.309 -11.707 13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 48 20.292 -13.173 13.745 1.00 0.00 H new ATOM 782 N SER A 49 14.291 -13.732 11.173 1.00 0.00 N ATOM 783 CA SER A 49 14.487 -14.869 12.065 1.00 0.00 C ATOM 784 C SER A 49 13.416 -15.931 11.835 1.00 0.00 C ATOM 785 O SER A 49 13.727 -17.098 11.596 1.00 0.00 O ATOM 786 CB SER A 49 14.459 -14.410 13.524 1.00 0.00 C ATOM 787 OG SER A 49 14.502 -15.516 14.408 1.00 0.00 O ATOM 0 H SER A 49 14.092 -12.852 11.649 1.00 0.00 H new ATOM 0 HA SER A 49 15.461 -15.306 11.847 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.307 -13.753 13.718 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.556 -13.828 13.708 1.00 0.00 H new ATOM 0 HG SER A 49 14.485 -15.196 15.334 1.00 0.00 H new ATOM 793 N GLU A 50 12.155 -15.518 11.908 1.00 0.00 N ATOM 794 CA GLU A 50 11.039 -16.434 11.708 1.00 0.00 C ATOM 795 C GLU A 50 11.065 -17.025 10.301 1.00 0.00 C ATOM 796 O GLU A 50 11.067 -18.244 10.127 1.00 0.00 O ATOM 797 CB GLU A 50 9.710 -15.713 11.945 1.00 0.00 C ATOM 798 CG GLU A 50 9.293 -15.672 13.405 1.00 0.00 C ATOM 799 CD GLU A 50 7.951 -14.995 13.610 1.00 0.00 C ATOM 800 OE1 GLU A 50 7.724 -13.932 12.995 1.00 0.00 O ATOM 801 OE2 GLU A 50 7.129 -15.528 14.384 1.00 0.00 O ATOM 0 H GLU A 50 11.881 -14.555 12.104 1.00 0.00 H new ATOM 0 HA GLU A 50 11.137 -17.247 12.427 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.787 -14.693 11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.930 -16.207 11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.246 -16.689 13.794 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.053 -15.145 13.981 1.00 0.00 H new ATOM 808 N LEU A 51 11.085 -16.152 9.299 1.00 0.00 N ATOM 809 CA LEU A 51 11.110 -16.586 7.907 1.00 0.00 C ATOM 810 C LEU A 51 12.174 -15.827 7.120 1.00 0.00 C ATOM 811 O LEU A 51 11.887 -14.860 6.413 1.00 0.00 O ATOM 812 CB LEU A 51 9.738 -16.380 7.262 1.00 0.00 C ATOM 813 CG LEU A 51 9.366 -17.360 6.149 1.00 0.00 C ATOM 814 CD1 LEU A 51 9.397 -18.790 6.664 1.00 0.00 C ATOM 815 CD2 LEU A 51 7.995 -17.025 5.581 1.00 0.00 C ATOM 0 H LEU A 51 11.084 -15.140 9.425 1.00 0.00 H new ATOM 0 HA LEU A 51 11.357 -17.647 7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.979 -16.442 8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.697 -15.369 6.857 1.00 0.00 H new ATOM 0 HG LEU A 51 10.101 -17.268 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.130 -19.473 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.399 -19.026 7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.685 -18.898 7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.746 -17.732 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.248 -17.088 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.007 -16.014 5.173 1.00 0.00 H new ATOM 827 N PRO A 52 13.432 -16.275 7.240 1.00 0.00 N ATOM 828 CA PRO A 52 14.564 -15.654 6.545 1.00 0.00 C ATOM 829 C PRO A 52 14.520 -15.892 5.040 1.00 0.00 C ATOM 830 O PRO A 52 15.063 -15.107 4.262 1.00 0.00 O ATOM 831 CB PRO A 52 15.782 -16.348 7.161 1.00 0.00 C ATOM 832 CG PRO A 52 15.269 -17.663 7.637 1.00 0.00 C ATOM 833 CD PRO A 52 13.847 -17.422 8.065 1.00 0.00 C ATOM 0 HA PRO A 52 14.570 -14.570 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.578 -16.476 6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.197 -15.764 7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.317 -18.410 6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.868 -18.039 8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.220 -18.295 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.780 -17.196 9.129 1.00 0.00 H new ATOM 841 N ASP A 53 13.870 -16.977 4.635 1.00 0.00 N ATOM 842 CA ASP A 53 13.754 -17.317 3.222 1.00 0.00 C ATOM 843 C ASP A 53 12.939 -16.266 2.475 1.00 0.00 C ATOM 844 O ASP A 53 13.369 -15.749 1.444 1.00 0.00 O ATOM 845 CB ASP A 53 13.107 -18.693 3.058 1.00 0.00 C ATOM 846 CG ASP A 53 11.747 -18.776 3.722 1.00 0.00 C ATOM 847 OD1 ASP A 53 10.751 -18.373 3.086 1.00 0.00 O ATOM 848 OD2 ASP A 53 11.679 -19.244 4.878 1.00 0.00 O ATOM 0 H ASP A 53 13.415 -17.637 5.266 1.00 0.00 H new ATOM 0 HA ASP A 53 14.757 -17.343 2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.004 -18.919 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.763 -19.453 3.483 1.00 0.00 H new ATOM 853 N TYR A 54 11.760 -15.954 3.003 1.00 0.00 N ATOM 854 CA TYR A 54 10.883 -14.967 2.385 1.00 0.00 C ATOM 855 C TYR A 54 11.668 -13.729 1.962 1.00 0.00 C ATOM 856 O TYR A 54 11.356 -13.097 0.953 1.00 0.00 O ATOM 857 CB TYR A 54 9.765 -14.571 3.351 1.00 0.00 C ATOM 858 CG TYR A 54 9.124 -13.242 3.022 1.00 0.00 C ATOM 859 CD1 TYR A 54 8.263 -13.112 1.939 1.00 0.00 C ATOM 860 CD2 TYR A 54 9.377 -12.116 3.796 1.00 0.00 C ATOM 861 CE1 TYR A 54 7.676 -11.899 1.635 1.00 0.00 C ATOM 862 CE2 TYR A 54 8.793 -10.899 3.501 1.00 0.00 C ATOM 863 CZ TYR A 54 7.944 -10.796 2.419 1.00 0.00 C ATOM 864 OH TYR A 54 7.359 -9.587 2.120 1.00 0.00 O ATOM 0 H TYR A 54 11.390 -16.371 3.857 1.00 0.00 H new ATOM 0 HA TYR A 54 10.442 -15.417 1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.999 -15.346 3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.168 -14.530 4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.049 -13.974 1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.042 -12.194 4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.011 -11.815 0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.000 -10.034 4.114 1.00 0.00 H new ATOM 0 HH TYR A 54 6.489 -9.741 1.696 1.00 0.00 H new ATOM 874 N TYR A 55 12.688 -13.390 2.742 1.00 0.00 N ATOM 875 CA TYR A 55 13.519 -12.227 2.452 1.00 0.00 C ATOM 876 C TYR A 55 14.485 -12.519 1.308 1.00 0.00 C ATOM 877 O TYR A 55 14.641 -11.713 0.389 1.00 0.00 O ATOM 878 CB TYR A 55 14.299 -11.807 3.698 1.00 0.00 C ATOM 879 CG TYR A 55 13.482 -10.997 4.679 1.00 0.00 C ATOM 880 CD1 TYR A 55 13.415 -9.612 4.581 1.00 0.00 C ATOM 881 CD2 TYR A 55 12.778 -11.615 5.705 1.00 0.00 C ATOM 882 CE1 TYR A 55 12.671 -8.868 5.476 1.00 0.00 C ATOM 883 CE2 TYR A 55 12.030 -10.879 6.603 1.00 0.00 C ATOM 884 CZ TYR A 55 11.980 -9.506 6.485 1.00 0.00 C ATOM 885 OH TYR A 55 11.237 -8.769 7.378 1.00 0.00 O ATOM 0 H TYR A 55 12.960 -13.904 3.580 1.00 0.00 H new ATOM 0 HA TYR A 55 12.863 -11.410 2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 55 14.674 -12.699 4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 55 15.168 -11.224 3.393 1.00 0.00 H new ATOM 0 HD1 TYR A 55 13.954 -9.109 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.816 -12.690 5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.631 -7.792 5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 55 11.487 -11.376 7.393 1.00 0.00 H new ATOM 0 HH TYR A 55 10.812 -9.370 8.025 1.00 0.00 H new ATOM 895 N LEU A 56 15.131 -13.678 1.370 1.00 0.00 N ATOM 896 CA LEU A 56 16.083 -14.080 0.339 1.00 0.00 C ATOM 897 C LEU A 56 15.399 -14.191 -1.020 1.00 0.00 C ATOM 898 O LEU A 56 15.987 -13.868 -2.052 1.00 0.00 O ATOM 899 CB LEU A 56 16.730 -15.415 0.708 1.00 0.00 C ATOM 900 CG LEU A 56 16.043 -16.668 0.164 1.00 0.00 C ATOM 901 CD1 LEU A 56 16.492 -16.947 -1.262 1.00 0.00 C ATOM 902 CD2 LEU A 56 16.329 -17.865 1.059 1.00 0.00 C ATOM 0 H LEU A 56 15.013 -14.356 2.123 1.00 0.00 H new ATOM 0 HA LEU A 56 16.856 -13.314 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.760 -15.407 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.768 -15.489 1.795 1.00 0.00 H new ATOM 0 HG LEU A 56 14.967 -16.494 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.993 -17.842 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.235 -16.099 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.571 -17.100 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.832 -18.747 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.404 -18.041 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.956 -17.665 2.064 1.00 0.00 H new ATOM 914 N THR A 57 14.151 -14.650 -1.013 1.00 0.00 N ATOM 915 CA THR A 57 13.386 -14.803 -2.244 1.00 0.00 C ATOM 916 C THR A 57 12.930 -13.451 -2.780 1.00 0.00 C ATOM 917 O THR A 57 13.204 -13.104 -3.929 1.00 0.00 O ATOM 918 CB THR A 57 12.152 -15.700 -2.030 1.00 0.00 C ATOM 919 OG1 THR A 57 12.531 -16.899 -1.344 1.00 0.00 O ATOM 920 CG2 THR A 57 11.504 -16.054 -3.360 1.00 0.00 C ATOM 0 H THR A 57 13.649 -14.922 -0.168 1.00 0.00 H new ATOM 0 HA THR A 57 14.048 -15.274 -2.971 1.00 0.00 H new ATOM 0 HB THR A 57 11.430 -15.150 -1.427 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.747 -16.688 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.635 -16.688 -3.184 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.191 -15.141 -3.867 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.221 -16.587 -3.984 1.00 0.00 H new ATOM 928 N ILE A 58 12.234 -12.691 -1.941 1.00 0.00 N ATOM 929 CA ILE A 58 11.742 -11.375 -2.331 1.00 0.00 C ATOM 930 C ILE A 58 12.869 -10.348 -2.339 1.00 0.00 C ATOM 931 O ILE A 58 13.587 -10.188 -1.351 1.00 0.00 O ATOM 932 CB ILE A 58 10.626 -10.889 -1.388 1.00 0.00 C ATOM 933 CG1 ILE A 58 9.464 -11.885 -1.381 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.144 -9.508 -1.805 1.00 0.00 C ATOM 935 CD1 ILE A 58 8.836 -12.090 -2.742 1.00 0.00 C ATOM 0 H ILE A 58 11.998 -12.964 -0.987 1.00 0.00 H new ATOM 0 HA ILE A 58 11.337 -11.475 -3.338 1.00 0.00 H new ATOM 0 HB ILE A 58 11.029 -10.822 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.821 -12.844 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.700 -11.535 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.355 -9.178 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.975 -8.804 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.755 -9.550 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.020 -12.808 -2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.449 -11.140 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.586 -12.470 -3.435 1.00 0.00 H new ATOM 947 N LYS A 59 13.018 -9.650 -3.460 1.00 0.00 N ATOM 948 CA LYS A 59 14.054 -8.634 -3.598 1.00 0.00 C ATOM 949 C LYS A 59 13.693 -7.378 -2.812 1.00 0.00 C ATOM 950 O LYS A 59 14.509 -6.848 -2.058 1.00 0.00 O ATOM 951 CB LYS A 59 14.261 -8.284 -5.073 1.00 0.00 C ATOM 952 CG LYS A 59 14.864 -9.415 -5.888 1.00 0.00 C ATOM 953 CD LYS A 59 16.383 -9.391 -5.836 1.00 0.00 C ATOM 954 CE LYS A 59 16.993 -10.076 -7.049 1.00 0.00 C ATOM 955 NZ LYS A 59 16.728 -9.321 -8.305 1.00 0.00 N ATOM 0 H LYS A 59 12.433 -9.770 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 59 14.981 -9.040 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.302 -8.004 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.910 -7.411 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.501 -10.371 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.533 -9.335 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.730 -8.359 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.725 -9.886 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.069 -10.177 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.588 -11.084 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.445 -9.569 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.784 -9.566 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.770 -8.300 -8.112 1.00 0.00 H new ATOM 969 N LYS A 60 12.464 -6.906 -2.992 1.00 0.00 N ATOM 970 CA LYS A 60 11.992 -5.714 -2.298 1.00 0.00 C ATOM 971 C LYS A 60 10.673 -5.986 -1.583 1.00 0.00 C ATOM 972 O LYS A 60 9.589 -5.786 -2.132 1.00 0.00 O ATOM 973 CB LYS A 60 11.819 -4.558 -3.287 1.00 0.00 C ATOM 974 CG LYS A 60 11.967 -3.187 -2.651 1.00 0.00 C ATOM 975 CD LYS A 60 11.300 -2.109 -3.489 1.00 0.00 C ATOM 976 CE LYS A 60 12.253 -1.543 -4.531 1.00 0.00 C ATOM 977 NZ LYS A 60 11.533 -0.763 -5.575 1.00 0.00 N ATOM 0 H LYS A 60 11.776 -7.332 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 60 12.738 -5.439 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.554 -4.660 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.835 -4.631 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.527 -3.198 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.025 -2.953 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.422 -2.523 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.951 -1.306 -2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.988 -0.903 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.803 -2.358 -5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.217 -0.394 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.850 -1.379 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.029 0.030 -5.130 1.00 0.00 H new ATOM 991 N PRO A 61 10.764 -6.453 -0.329 1.00 0.00 N ATOM 992 CA PRO A 61 9.586 -6.761 0.489 1.00 0.00 C ATOM 993 C PRO A 61 8.826 -5.506 0.906 1.00 0.00 C ATOM 994 O PRO A 61 9.394 -4.598 1.512 1.00 0.00 O ATOM 995 CB PRO A 61 10.179 -7.459 1.715 1.00 0.00 C ATOM 996 CG PRO A 61 11.575 -6.948 1.805 1.00 0.00 C ATOM 997 CD PRO A 61 12.023 -6.715 0.388 1.00 0.00 C ATOM 0 HA PRO A 61 8.860 -7.366 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.613 -7.224 2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.161 -8.543 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.616 -6.025 2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.223 -7.668 2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.709 -5.871 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.543 -7.583 -0.017 1.00 0.00 H new ATOM 1005 N MET A 62 7.539 -5.463 0.578 1.00 0.00 N ATOM 1006 CA MET A 62 6.701 -4.320 0.921 1.00 0.00 C ATOM 1007 C MET A 62 5.533 -4.748 1.803 1.00 0.00 C ATOM 1008 O MET A 62 4.738 -5.607 1.423 1.00 0.00 O ATOM 1009 CB MET A 62 6.176 -3.646 -0.349 1.00 0.00 C ATOM 1010 CG MET A 62 5.104 -2.603 -0.084 1.00 0.00 C ATOM 1011 SD MET A 62 5.497 -1.543 1.321 1.00 0.00 S ATOM 1012 CE MET A 62 6.556 -0.327 0.542 1.00 0.00 C ATOM 0 H MET A 62 7.054 -6.206 0.075 1.00 0.00 H new ATOM 0 HA MET A 62 7.311 -3.607 1.476 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.009 -3.175 -0.871 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.773 -4.409 -1.015 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.974 -1.987 -0.974 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.153 -3.103 0.098 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.723 0.503 1.229 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.511 -0.786 0.288 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.079 0.043 -0.365 1.00 0.00 H new ATOM 1022 N ASP A 63 5.436 -4.143 2.982 1.00 0.00 N ATOM 1023 CA ASP A 63 4.364 -4.461 3.919 1.00 0.00 C ATOM 1024 C ASP A 63 3.509 -3.230 4.203 1.00 0.00 C ATOM 1025 O ASP A 63 3.964 -2.097 4.052 1.00 0.00 O ATOM 1026 CB ASP A 63 4.945 -5.007 5.225 1.00 0.00 C ATOM 1027 CG ASP A 63 6.187 -4.258 5.664 1.00 0.00 C ATOM 1028 OD1 ASP A 63 6.045 -3.215 6.336 1.00 0.00 O ATOM 1029 OD2 ASP A 63 7.302 -4.715 5.336 1.00 0.00 O ATOM 0 H ASP A 63 6.086 -3.430 3.312 1.00 0.00 H new ATOM 0 HA ASP A 63 3.731 -5.224 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.190 -4.944 6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.186 -6.062 5.099 1.00 0.00 H new ATOM 1034 N MET A 64 2.267 -3.462 4.615 1.00 0.00 N ATOM 1035 CA MET A 64 1.347 -2.372 4.921 1.00 0.00 C ATOM 1036 C MET A 64 1.994 -1.364 5.865 1.00 0.00 C ATOM 1037 O MET A 64 1.852 -0.155 5.686 1.00 0.00 O ATOM 1038 CB MET A 64 0.062 -2.920 5.544 1.00 0.00 C ATOM 1039 CG MET A 64 -0.909 -3.497 4.526 1.00 0.00 C ATOM 1040 SD MET A 64 -2.036 -2.257 3.861 1.00 0.00 S ATOM 1041 CE MET A 64 -3.590 -2.796 4.569 1.00 0.00 C ATOM 0 H MET A 64 1.874 -4.394 4.745 1.00 0.00 H new ATOM 0 HA MET A 64 1.102 -1.864 3.988 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.320 -3.694 6.267 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.434 -2.121 6.095 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.347 -3.947 3.708 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.487 -4.295 4.993 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.265 -1.945 4.656 1.00 0.00 H new ATOM 0 HE2 MET A 64 -4.040 -3.552 3.926 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.412 -3.220 5.557 1.00 0.00 H new ATOM 1051 N GLU A 65 2.704 -1.870 6.868 1.00 0.00 N ATOM 1052 CA GLU A 65 3.371 -1.012 7.840 1.00 0.00 C ATOM 1053 C GLU A 65 4.147 0.101 7.141 1.00 0.00 C ATOM 1054 O GLU A 65 3.957 1.283 7.431 1.00 0.00 O ATOM 1055 CB GLU A 65 4.317 -1.836 8.716 1.00 0.00 C ATOM 1056 CG GLU A 65 3.600 -2.751 9.694 1.00 0.00 C ATOM 1057 CD GLU A 65 4.555 -3.619 10.489 1.00 0.00 C ATOM 1058 OE1 GLU A 65 5.417 -3.058 11.198 1.00 0.00 O ATOM 1059 OE2 GLU A 65 4.440 -4.859 10.404 1.00 0.00 O ATOM 0 H GLU A 65 2.832 -2.869 7.029 1.00 0.00 H new ATOM 0 HA GLU A 65 2.607 -0.558 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.961 -2.437 8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.965 -1.159 9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.006 -2.148 10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.906 -3.389 9.147 1.00 0.00 H new ATOM 1066 N LYS A 66 5.023 -0.285 6.220 1.00 0.00 N ATOM 1067 CA LYS A 66 5.828 0.678 5.478 1.00 0.00 C ATOM 1068 C LYS A 66 4.991 1.884 5.065 1.00 0.00 C ATOM 1069 O LYS A 66 5.291 3.017 5.442 1.00 0.00 O ATOM 1070 CB LYS A 66 6.436 0.018 4.238 1.00 0.00 C ATOM 1071 CG LYS A 66 7.483 -1.034 4.560 1.00 0.00 C ATOM 1072 CD LYS A 66 8.510 -1.158 3.447 1.00 0.00 C ATOM 1073 CE LYS A 66 9.464 0.027 3.433 1.00 0.00 C ATOM 1074 NZ LYS A 66 10.583 -0.173 2.471 1.00 0.00 N ATOM 0 H LYS A 66 5.194 -1.259 5.969 1.00 0.00 H new ATOM 0 HA LYS A 66 6.631 1.021 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.639 -0.442 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.887 0.788 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.985 -0.775 5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.997 -1.997 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.076 -2.081 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.000 -1.227 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.916 0.931 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.868 0.180 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.211 0.656 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.122 -1.022 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.199 -0.293 1.512 1.00 0.00 H new ATOM 1088 N ILE A 67 3.940 1.633 4.292 1.00 0.00 N ATOM 1089 CA ILE A 67 3.059 2.699 3.831 1.00 0.00 C ATOM 1090 C ILE A 67 2.743 3.676 4.958 1.00 0.00 C ATOM 1091 O ILE A 67 3.196 4.820 4.947 1.00 0.00 O ATOM 1092 CB ILE A 67 1.740 2.136 3.270 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.016 1.243 2.059 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.797 3.269 2.895 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.257 -0.207 2.419 1.00 0.00 C ATOM 0 H ILE A 67 3.678 0.701 3.972 1.00 0.00 H new ATOM 0 HA ILE A 67 3.588 3.224 3.035 1.00 0.00 H new ATOM 0 HB ILE A 67 1.262 1.533 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.171 1.303 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.886 1.626 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.131 2.855 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.579 3.869 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.266 3.897 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.446 -0.781 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.121 -0.279 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.378 -0.607 2.925 1.00 0.00 H new ATOM 1107 N ARG A 68 1.963 3.216 5.932 1.00 0.00 N ATOM 1108 CA ARG A 68 1.587 4.049 7.067 1.00 0.00 C ATOM 1109 C ARG A 68 2.777 4.865 7.561 1.00 0.00 C ATOM 1110 O ARG A 68 2.706 6.091 7.657 1.00 0.00 O ATOM 1111 CB ARG A 68 1.042 3.182 8.204 1.00 0.00 C ATOM 1112 CG ARG A 68 0.027 3.897 9.082 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.390 3.036 10.264 1.00 0.00 C ATOM 1114 NE ARG A 68 -0.873 3.841 11.383 1.00 0.00 N ATOM 1115 CZ ARG A 68 -0.847 3.433 12.647 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -0.363 2.236 12.951 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -1.305 4.222 13.610 1.00 0.00 N ATOM 0 H ARG A 68 1.580 2.271 5.957 1.00 0.00 H new ATOM 0 HA ARG A 68 0.808 4.737 6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.579 2.291 7.780 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.873 2.846 8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.453 4.833 9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.851 4.154 8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.172 2.344 9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.457 2.433 10.590 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.251 4.767 11.183 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.010 1.626 12.213 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.344 1.925 13.922 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.678 5.143 13.380 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.284 3.907 14.580 1.00 0.00 H new ATOM 1131 N SER A 69 3.871 4.178 7.874 1.00 0.00 N ATOM 1132 CA SER A 69 5.076 4.838 8.362 1.00 0.00 C ATOM 1133 C SER A 69 5.304 6.160 7.634 1.00 0.00 C ATOM 1134 O SER A 69 5.434 7.212 8.260 1.00 0.00 O ATOM 1135 CB SER A 69 6.291 3.927 8.182 1.00 0.00 C ATOM 1136 OG SER A 69 7.437 4.474 8.812 1.00 0.00 O ATOM 0 H SER A 69 3.948 3.164 7.798 1.00 0.00 H new ATOM 0 HA SER A 69 4.942 5.046 9.423 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.077 2.943 8.600 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.489 3.785 7.120 1.00 0.00 H new ATOM 0 HG SER A 69 8.200 3.872 8.684 1.00 0.00 H new ATOM 1142 N HIS A 70 5.352 6.096 6.307 1.00 0.00 N ATOM 1143 CA HIS A 70 5.563 7.287 5.492 1.00 0.00 C ATOM 1144 C HIS A 70 4.329 8.184 5.510 1.00 0.00 C ATOM 1145 O HIS A 70 4.441 9.408 5.578 1.00 0.00 O ATOM 1146 CB HIS A 70 5.901 6.893 4.054 1.00 0.00 C ATOM 1147 CG HIS A 70 7.326 6.470 3.868 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.835 5.295 4.379 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.350 7.072 3.220 1.00 0.00 C ATOM 1150 CE1 HIS A 70 9.111 5.193 4.056 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.449 6.258 3.351 1.00 0.00 N ATOM 0 H HIS A 70 5.248 5.233 5.774 1.00 0.00 H new ATOM 0 HA HIS A 70 6.400 7.843 5.915 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.246 6.078 3.746 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.692 7.737 3.396 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.311 8.016 2.697 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.767 4.378 4.323 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.375 6.445 2.967 1.00 0.00 H new ATOM 1160 N MET A 71 3.154 7.567 5.447 1.00 0.00 N ATOM 1161 CA MET A 71 1.899 8.310 5.456 1.00 0.00 C ATOM 1162 C MET A 71 1.855 9.287 6.627 1.00 0.00 C ATOM 1163 O MET A 71 1.786 10.500 6.433 1.00 0.00 O ATOM 1164 CB MET A 71 0.712 7.348 5.534 1.00 0.00 C ATOM 1165 CG MET A 71 0.557 6.474 4.300 1.00 0.00 C ATOM 1166 SD MET A 71 -1.117 5.832 4.110 1.00 0.00 S ATOM 1167 CE MET A 71 -1.427 5.201 5.757 1.00 0.00 C ATOM 0 H MET A 71 3.044 6.555 5.389 1.00 0.00 H new ATOM 0 HA MET A 71 1.835 8.879 4.528 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.829 6.709 6.409 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.202 7.923 5.679 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.823 7.051 3.415 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.257 5.641 4.359 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.494 5.017 5.881 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.879 4.270 5.899 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.097 5.932 6.495 1.00 0.00 H new ATOM 1177 N MET A 72 1.894 8.749 7.842 1.00 0.00 N ATOM 1178 CA MET A 72 1.859 9.574 9.044 1.00 0.00 C ATOM 1179 C MET A 72 2.943 10.647 8.999 1.00 0.00 C ATOM 1180 O MET A 72 2.798 11.715 9.593 1.00 0.00 O ATOM 1181 CB MET A 72 2.036 8.705 10.291 1.00 0.00 C ATOM 1182 CG MET A 72 1.034 7.566 10.384 1.00 0.00 C ATOM 1183 SD MET A 72 -0.468 8.032 11.267 1.00 0.00 S ATOM 1184 CE MET A 72 -1.559 8.416 9.899 1.00 0.00 C ATOM 0 H MET A 72 1.950 7.746 8.020 1.00 0.00 H new ATOM 0 HA MET A 72 0.887 10.066 9.088 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.045 8.292 10.296 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.944 9.333 11.177 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.772 7.235 9.379 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.499 6.719 10.888 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.595 8.288 10.213 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.400 9.448 9.585 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.347 7.747 9.065 1.00 0.00 H new ATOM 1194 N ALA A 73 4.029 10.354 8.292 1.00 0.00 N ATOM 1195 CA ALA A 73 5.137 11.294 8.169 1.00 0.00 C ATOM 1196 C ALA A 73 4.905 12.268 7.018 1.00 0.00 C ATOM 1197 O ALA A 73 5.825 12.956 6.580 1.00 0.00 O ATOM 1198 CB ALA A 73 6.446 10.544 7.972 1.00 0.00 C ATOM 0 H ALA A 73 4.166 9.473 7.796 1.00 0.00 H new ATOM 0 HA ALA A 73 5.197 11.870 9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.264 11.258 7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.625 9.893 8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.388 9.942 7.065 1.00 0.00 H new ATOM 1204 N ASN A 74 3.668 12.320 6.533 1.00 0.00 N ATOM 1205 CA ASN A 74 3.316 13.209 5.432 1.00 0.00 C ATOM 1206 C ASN A 74 4.491 13.381 4.474 1.00 0.00 C ATOM 1207 O ASN A 74 4.901 14.502 4.171 1.00 0.00 O ATOM 1208 CB ASN A 74 2.879 14.573 5.970 1.00 0.00 C ATOM 1209 CG ASN A 74 3.744 15.044 7.123 1.00 0.00 C ATOM 1210 OD1 ASN A 74 3.428 14.807 8.289 1.00 0.00 O ATOM 1211 ND2 ASN A 74 4.844 15.715 6.801 1.00 0.00 N ATOM 0 H ASN A 74 2.894 11.757 6.885 1.00 0.00 H new ATOM 0 HA ASN A 74 2.487 12.759 4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.919 15.308 5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.841 14.516 6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.466 16.057 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.067 15.889 5.821 1.00 0.00 H new ATOM 1218 N LYS A 75 5.030 12.262 4.001 1.00 0.00 N ATOM 1219 CA LYS A 75 6.156 12.287 3.075 1.00 0.00 C ATOM 1220 C LYS A 75 5.680 12.139 1.634 1.00 0.00 C ATOM 1221 O LYS A 75 6.291 12.678 0.710 1.00 0.00 O ATOM 1222 CB LYS A 75 7.146 11.170 3.414 1.00 0.00 C ATOM 1223 CG LYS A 75 7.985 11.453 4.648 1.00 0.00 C ATOM 1224 CD LYS A 75 8.527 10.173 5.261 1.00 0.00 C ATOM 1225 CE LYS A 75 9.856 9.776 4.638 1.00 0.00 C ATOM 1226 NZ LYS A 75 10.429 8.561 5.281 1.00 0.00 N ATOM 0 H LYS A 75 4.705 11.326 4.244 1.00 0.00 H new ATOM 0 HA LYS A 75 6.656 13.250 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.595 10.242 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.809 11.013 2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.814 12.109 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.382 11.983 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.653 10.308 6.335 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.805 9.368 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.717 9.592 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.561 10.602 4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.425 8.734 5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.895 8.341 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.368 7.758 4.623 1.00 0.00 H new ATOM 1240 N TYR A 76 4.587 11.409 1.449 1.00 0.00 N ATOM 1241 CA TYR A 76 4.029 11.190 0.120 1.00 0.00 C ATOM 1242 C TYR A 76 3.723 12.517 -0.568 1.00 0.00 C ATOM 1243 O TYR A 76 3.974 13.587 -0.015 1.00 0.00 O ATOM 1244 CB TYR A 76 2.758 10.344 0.210 1.00 0.00 C ATOM 1245 CG TYR A 76 1.822 10.773 1.317 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.456 12.105 1.466 1.00 0.00 C ATOM 1247 CD2 TYR A 76 1.303 9.846 2.213 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.602 12.502 2.477 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.447 10.234 3.225 1.00 0.00 C ATOM 1250 CZ TYR A 76 0.100 11.562 3.354 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.753 11.953 4.361 1.00 0.00 O ATOM 0 H TYR A 76 4.069 10.958 2.203 1.00 0.00 H new ATOM 0 HA TYR A 76 4.771 10.656 -0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.229 10.396 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.036 9.301 0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.846 12.843 0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.574 8.805 2.116 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.329 13.542 2.580 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.051 9.501 3.912 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.016 11.171 4.889 1.00 0.00 H new ATOM 1261 N GLN A 77 3.178 12.437 -1.778 1.00 0.00 N ATOM 1262 CA GLN A 77 2.837 13.631 -2.542 1.00 0.00 C ATOM 1263 C GLN A 77 1.442 13.511 -3.145 1.00 0.00 C ATOM 1264 O GLN A 77 0.702 14.492 -3.224 1.00 0.00 O ATOM 1265 CB GLN A 77 3.867 13.865 -3.649 1.00 0.00 C ATOM 1266 CG GLN A 77 5.065 14.686 -3.202 1.00 0.00 C ATOM 1267 CD GLN A 77 5.806 15.317 -4.364 1.00 0.00 C ATOM 1268 OE1 GLN A 77 5.276 15.420 -5.471 1.00 0.00 O ATOM 1269 NE2 GLN A 77 7.039 15.744 -4.119 1.00 0.00 N ATOM 0 H GLN A 77 2.963 11.558 -2.250 1.00 0.00 H new ATOM 0 HA GLN A 77 2.846 14.483 -1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.216 12.901 -4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.382 14.370 -4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.731 15.469 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.750 14.048 -2.643 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.439 15.639 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.586 16.177 -4.863 1.00 0.00 H new ATOM 1278 N ASP A 78 1.089 12.303 -3.571 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.219 12.055 -4.167 1.00 0.00 C ATOM 1280 C ASP A 78 -0.719 10.657 -3.817 1.00 0.00 C ATOM 1281 O ASP A 78 0.071 9.766 -3.500 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.150 12.220 -5.686 1.00 0.00 C ATOM 1283 CG ASP A 78 0.025 13.667 -6.104 1.00 0.00 C ATOM 1284 OD1 ASP A 78 0.964 14.319 -5.603 1.00 0.00 O ATOM 1285 OD2 ASP A 78 -0.778 14.148 -6.931 1.00 0.00 O ATOM 0 H ASP A 78 1.690 11.481 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.920 12.784 -3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.679 11.630 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.061 11.823 -6.133 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.033 10.472 -3.877 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.637 9.182 -3.567 1.00 0.00 C ATOM 1292 C ILE A 79 -1.806 8.035 -4.131 1.00 0.00 C ATOM 1293 O ILE A 79 -1.451 7.100 -3.413 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.071 9.084 -4.122 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.030 9.913 -3.266 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.519 7.631 -4.175 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.307 9.305 -1.908 1.00 0.00 C ATOM 0 H ILE A 79 -2.700 11.199 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.670 9.103 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.082 9.484 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.613 10.911 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.972 10.031 -3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.534 7.577 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.848 7.067 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.497 7.207 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.994 9.946 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.753 8.319 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.373 9.212 -1.354 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.497 8.115 -5.421 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.704 7.085 -6.082 1.00 0.00 C ATOM 1311 C ASP A 80 0.441 6.622 -5.186 1.00 0.00 C ATOM 1312 O ASP A 80 0.757 5.434 -5.131 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.151 7.609 -7.408 1.00 0.00 C ATOM 1314 CG ASP A 80 1.115 6.891 -7.832 1.00 0.00 C ATOM 1315 OD1 ASP A 80 2.211 7.330 -7.425 1.00 0.00 O ATOM 1316 OD2 ASP A 80 1.010 5.890 -8.572 1.00 0.00 O ATOM 0 H ASP A 80 -1.784 8.882 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.354 6.233 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.907 7.494 -8.184 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.053 8.676 -7.317 1.00 0.00 H new ATOM 1321 N SER A 81 1.059 7.569 -4.488 1.00 0.00 N ATOM 1322 CA SER A 81 2.172 7.259 -3.598 1.00 0.00 C ATOM 1323 C SER A 81 1.889 5.994 -2.794 1.00 0.00 C ATOM 1324 O SER A 81 2.768 5.152 -2.611 1.00 0.00 O ATOM 1325 CB SER A 81 2.437 8.430 -2.651 1.00 0.00 C ATOM 1326 OG SER A 81 1.352 8.621 -1.760 1.00 0.00 O ATOM 0 H SER A 81 0.808 8.557 -4.521 1.00 0.00 H new ATOM 0 HA SER A 81 3.058 7.089 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.349 8.244 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.601 9.339 -3.229 1.00 0.00 H new ATOM 0 HG SER A 81 0.707 9.243 -2.158 1.00 0.00 H new ATOM 1332 N MET A 82 0.655 5.867 -2.316 1.00 0.00 N ATOM 1333 CA MET A 82 0.255 4.705 -1.532 1.00 0.00 C ATOM 1334 C MET A 82 -0.164 3.554 -2.442 1.00 0.00 C ATOM 1335 O MET A 82 -0.006 2.384 -2.092 1.00 0.00 O ATOM 1336 CB MET A 82 -0.893 5.069 -0.589 1.00 0.00 C ATOM 1337 CG MET A 82 -1.477 3.875 0.148 1.00 0.00 C ATOM 1338 SD MET A 82 -2.874 3.137 -0.721 1.00 0.00 S ATOM 1339 CE MET A 82 -4.220 4.159 -0.127 1.00 0.00 C ATOM 0 H MET A 82 -0.085 6.555 -2.458 1.00 0.00 H new ATOM 0 HA MET A 82 1.113 4.384 -0.941 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.536 5.796 0.140 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.683 5.554 -1.162 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.701 3.122 0.285 1.00 0.00 H new ATOM 0 HG3 MET A 82 -1.797 4.188 1.142 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.857 3.573 0.536 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.816 5.012 0.418 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.807 4.515 -0.973 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.699 3.894 -3.610 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.140 2.889 -4.570 1.00 0.00 C ATOM 1351 C VAL A 83 0.035 2.062 -5.079 1.00 0.00 C ATOM 1352 O VAL A 83 -0.066 0.844 -5.222 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.856 3.536 -5.771 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.307 2.472 -6.760 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.037 4.371 -5.299 1.00 0.00 C ATOM 0 H VAL A 83 -0.838 4.858 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.840 2.237 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.153 4.196 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.811 2.948 -7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.439 1.920 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.995 1.785 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.532 4.821 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.743 3.734 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.683 5.157 -4.632 1.00 0.00 H new ATOM 1365 N GLU A 84 1.151 2.733 -5.350 1.00 0.00 N ATOM 1366 CA GLU A 84 2.346 2.059 -5.844 1.00 0.00 C ATOM 1367 C GLU A 84 2.878 1.070 -4.811 1.00 0.00 C ATOM 1368 O GLU A 84 3.376 -0.001 -5.160 1.00 0.00 O ATOM 1369 CB GLU A 84 3.429 3.082 -6.192 1.00 0.00 C ATOM 1370 CG GLU A 84 4.001 3.799 -4.980 1.00 0.00 C ATOM 1371 CD GLU A 84 5.316 4.492 -5.280 1.00 0.00 C ATOM 1372 OE1 GLU A 84 5.967 4.124 -6.279 1.00 0.00 O ATOM 1373 OE2 GLU A 84 5.693 5.404 -4.514 1.00 0.00 O ATOM 0 H GLU A 84 1.252 3.742 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 84 2.075 1.508 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.238 2.577 -6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.013 3.820 -6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.280 4.535 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.149 3.081 -4.174 1.00 0.00 H new ATOM 1380 N ASP A 85 2.771 1.437 -3.539 1.00 0.00 N ATOM 1381 CA ASP A 85 3.241 0.583 -2.454 1.00 0.00 C ATOM 1382 C ASP A 85 2.446 -0.718 -2.404 1.00 0.00 C ATOM 1383 O ASP A 85 3.019 -1.808 -2.384 1.00 0.00 O ATOM 1384 CB ASP A 85 3.131 1.315 -1.116 1.00 0.00 C ATOM 1385 CG ASP A 85 3.726 2.708 -1.167 1.00 0.00 C ATOM 1386 OD1 ASP A 85 4.774 2.882 -1.825 1.00 0.00 O ATOM 1387 OD2 ASP A 85 3.144 3.625 -0.550 1.00 0.00 O ATOM 0 H ASP A 85 2.363 2.320 -3.233 1.00 0.00 H new ATOM 0 HA ASP A 85 4.287 0.341 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.082 1.382 -0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.638 0.735 -0.345 1.00 0.00 H new ATOM 1392 N PHE A 86 1.123 -0.597 -2.382 1.00 0.00 N ATOM 1393 CA PHE A 86 0.249 -1.763 -2.331 1.00 0.00 C ATOM 1394 C PHE A 86 0.564 -2.728 -3.471 1.00 0.00 C ATOM 1395 O PHE A 86 0.849 -3.904 -3.242 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.217 -1.331 -2.404 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.838 -1.090 -1.057 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -2.413 -2.132 -0.348 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.847 0.179 -0.501 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.985 -1.914 0.891 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.417 0.404 0.737 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.988 -0.644 1.434 1.00 0.00 C ATOM 0 H PHE A 86 0.632 0.297 -2.399 1.00 0.00 H new ATOM 0 HA PHE A 86 0.423 -2.276 -1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.290 -0.420 -2.997 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.788 -2.098 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.414 -3.127 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.403 1.002 -1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.429 -2.735 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.416 1.398 1.160 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.436 -0.470 2.401 1.00 0.00 H new ATOM 1412 N VAL A 87 0.509 -2.222 -4.699 1.00 0.00 N ATOM 1413 CA VAL A 87 0.788 -3.038 -5.874 1.00 0.00 C ATOM 1414 C VAL A 87 1.940 -4.003 -5.614 1.00 0.00 C ATOM 1415 O VAL A 87 1.890 -5.166 -6.011 1.00 0.00 O ATOM 1416 CB VAL A 87 1.131 -2.164 -7.095 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.472 -3.034 -8.296 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.020 -1.224 -7.417 1.00 0.00 C ATOM 0 H VAL A 87 0.274 -1.251 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.117 -3.607 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 87 2.006 -1.561 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.712 -2.399 -9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.331 -3.662 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.618 -3.665 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.240 -0.614 -8.282 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.914 -1.806 -7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.212 -0.577 -6.561 1.00 0.00 H new ATOM 1428 N MET A 88 2.976 -3.510 -4.943 1.00 0.00 N ATOM 1429 CA MET A 88 4.140 -4.329 -4.627 1.00 0.00 C ATOM 1430 C MET A 88 3.746 -5.526 -3.767 1.00 0.00 C ATOM 1431 O MET A 88 4.018 -6.673 -4.121 1.00 0.00 O ATOM 1432 CB MET A 88 5.198 -3.493 -3.904 1.00 0.00 C ATOM 1433 CG MET A 88 5.685 -2.300 -4.710 1.00 0.00 C ATOM 1434 SD MET A 88 6.360 -0.989 -3.672 1.00 0.00 S ATOM 1435 CE MET A 88 7.909 -1.728 -3.159 1.00 0.00 C ATOM 0 H MET A 88 3.033 -2.548 -4.608 1.00 0.00 H new ATOM 0 HA MET A 88 4.557 -4.699 -5.564 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.786 -3.139 -2.959 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.049 -4.129 -3.662 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.449 -2.630 -5.414 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.858 -1.903 -5.299 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.050 -1.572 -2.090 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.890 -2.797 -3.370 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.731 -1.265 -3.705 1.00 0.00 H new ATOM 1445 N MET A 89 3.104 -5.250 -2.636 1.00 0.00 N ATOM 1446 CA MET A 89 2.672 -6.305 -1.727 1.00 0.00 C ATOM 1447 C MET A 89 2.170 -7.519 -2.502 1.00 0.00 C ATOM 1448 O MET A 89 2.613 -8.644 -2.267 1.00 0.00 O ATOM 1449 CB MET A 89 1.572 -5.788 -0.798 1.00 0.00 C ATOM 1450 CG MET A 89 2.003 -4.607 0.056 1.00 0.00 C ATOM 1451 SD MET A 89 1.016 -4.436 1.555 1.00 0.00 S ATOM 1452 CE MET A 89 -0.639 -4.412 0.870 1.00 0.00 C ATOM 0 H MET A 89 2.872 -4.306 -2.328 1.00 0.00 H new ATOM 0 HA MET A 89 3.531 -6.608 -1.128 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.709 -5.497 -1.397 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.248 -6.599 -0.145 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.052 -4.724 0.328 1.00 0.00 H new ATOM 0 HG3 MET A 89 1.926 -3.692 -0.531 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.292 -3.827 1.517 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.615 -3.963 -0.123 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.018 -5.431 0.798 1.00 0.00 H new ATOM 1462 N PHE A 90 1.244 -7.285 -3.425 1.00 0.00 N ATOM 1463 CA PHE A 90 0.681 -8.360 -4.234 1.00 0.00 C ATOM 1464 C PHE A 90 1.687 -8.840 -5.276 1.00 0.00 C ATOM 1465 O PHE A 90 1.924 -10.039 -5.419 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.601 -7.890 -4.925 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.464 -7.019 -4.057 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.953 -7.490 -2.849 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.787 -5.730 -4.450 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.748 -6.691 -2.050 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.581 -4.927 -3.654 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.062 -5.407 -2.452 1.00 0.00 C ATOM 0 H PHE A 90 0.867 -6.360 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 90 0.444 -9.193 -3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.337 -7.341 -5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.176 -8.761 -5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.710 -8.492 -2.529 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.414 -5.349 -5.389 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.124 -7.070 -1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.825 -3.924 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.682 -4.781 -1.828 1.00 0.00 H new ATOM 1482 N ASN A 91 2.275 -7.895 -6.002 1.00 0.00 N ATOM 1483 CA ASN A 91 3.255 -8.221 -7.032 1.00 0.00 C ATOM 1484 C ASN A 91 4.199 -9.321 -6.556 1.00 0.00 C ATOM 1485 O ASN A 91 4.339 -10.356 -7.205 1.00 0.00 O ATOM 1486 CB ASN A 91 4.056 -6.975 -7.415 1.00 0.00 C ATOM 1487 CG ASN A 91 4.582 -7.041 -8.836 1.00 0.00 C ATOM 1488 OD1 ASN A 91 5.290 -7.978 -9.205 1.00 0.00 O ATOM 1489 ND2 ASN A 91 4.237 -6.042 -9.641 1.00 0.00 N ATOM 0 H ASN A 91 2.090 -6.897 -5.896 1.00 0.00 H new ATOM 0 HA ASN A 91 2.718 -8.583 -7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.426 -6.093 -7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.892 -6.858 -6.726 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.561 -6.031 -10.608 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.648 -5.286 -9.292 1.00 0.00 H new ATOM 1496 N ASN A 92 4.845 -9.087 -5.418 1.00 0.00 N ATOM 1497 CA ASN A 92 5.776 -10.058 -4.855 1.00 0.00 C ATOM 1498 C ASN A 92 5.041 -11.312 -4.392 1.00 0.00 C ATOM 1499 O ASN A 92 5.465 -12.432 -4.675 1.00 0.00 O ATOM 1500 CB ASN A 92 6.542 -9.440 -3.683 1.00 0.00 C ATOM 1501 CG ASN A 92 5.777 -9.536 -2.377 1.00 0.00 C ATOM 1502 OD1 ASN A 92 5.606 -10.622 -1.824 1.00 0.00 O ATOM 1503 ND2 ASN A 92 5.312 -8.397 -1.879 1.00 0.00 N ATOM 0 H ASN A 92 4.741 -8.234 -4.868 1.00 0.00 H new ATOM 0 HA ASN A 92 6.483 -10.341 -5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.503 -9.942 -3.576 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.752 -8.393 -3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.789 -8.399 -1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.478 -7.520 -2.372 1.00 0.00 H new ATOM 1510 N ALA A 93 3.937 -11.115 -3.679 1.00 0.00 N ATOM 1511 CA ALA A 93 3.142 -12.229 -3.179 1.00 0.00 C ATOM 1512 C ALA A 93 2.963 -13.300 -4.249 1.00 0.00 C ATOM 1513 O ALA A 93 3.110 -14.492 -3.979 1.00 0.00 O ATOM 1514 CB ALA A 93 1.787 -11.734 -2.693 1.00 0.00 C ATOM 0 H ALA A 93 3.573 -10.194 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 93 3.676 -12.676 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.203 -12.577 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.930 -11.011 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.256 -11.260 -3.518 1.00 0.00 H new ATOM 1520 N CYS A 94 2.645 -12.868 -5.464 1.00 0.00 N ATOM 1521 CA CYS A 94 2.445 -13.790 -6.576 1.00 0.00 C ATOM 1522 C CYS A 94 3.711 -14.595 -6.850 1.00 0.00 C ATOM 1523 O CYS A 94 3.652 -15.799 -7.102 1.00 0.00 O ATOM 1524 CB CYS A 94 2.031 -13.025 -7.834 1.00 0.00 C ATOM 1525 SG CYS A 94 0.508 -12.068 -7.648 1.00 0.00 S ATOM 0 H CYS A 94 2.520 -11.885 -5.704 1.00 0.00 H new ATOM 0 HA CYS A 94 1.648 -14.482 -6.302 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.839 -12.351 -8.119 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.904 -13.734 -8.652 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.513 -12.873 -7.649 1.00 0.00 H new ATOM 1531 N THR A 95 4.856 -13.922 -6.799 1.00 0.00 N ATOM 1532 CA THR A 95 6.137 -14.574 -7.043 1.00 0.00 C ATOM 1533 C THR A 95 6.491 -15.533 -5.913 1.00 0.00 C ATOM 1534 O THR A 95 6.685 -16.728 -6.137 1.00 0.00 O ATOM 1535 CB THR A 95 7.270 -13.543 -7.201 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.900 -12.550 -8.164 1.00 0.00 O ATOM 1537 CG2 THR A 95 8.562 -14.220 -7.635 1.00 0.00 C ATOM 0 H THR A 95 4.923 -12.926 -6.591 1.00 0.00 H new ATOM 0 HA THR A 95 6.034 -15.135 -7.972 1.00 0.00 H new ATOM 0 HB THR A 95 7.434 -13.067 -6.234 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.626 -11.898 -8.257 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.347 -13.472 -7.740 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.858 -14.954 -6.885 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.407 -14.720 -8.591 1.00 0.00 H new ATOM 1545 N TYR A 96 6.572 -15.003 -4.697 1.00 0.00 N ATOM 1546 CA TYR A 96 6.905 -15.812 -3.531 1.00 0.00 C ATOM 1547 C TYR A 96 5.893 -16.938 -3.343 1.00 0.00 C ATOM 1548 O TYR A 96 6.257 -18.113 -3.294 1.00 0.00 O ATOM 1549 CB TYR A 96 6.953 -14.940 -2.276 1.00 0.00 C ATOM 1550 CG TYR A 96 7.258 -15.713 -1.013 1.00 0.00 C ATOM 1551 CD1 TYR A 96 8.497 -16.312 -0.824 1.00 0.00 C ATOM 1552 CD2 TYR A 96 6.307 -15.843 -0.007 1.00 0.00 C ATOM 1553 CE1 TYR A 96 8.780 -17.020 0.329 1.00 0.00 C ATOM 1554 CE2 TYR A 96 6.582 -16.547 1.149 1.00 0.00 C ATOM 1555 CZ TYR A 96 7.819 -17.134 1.312 1.00 0.00 C ATOM 1556 OH TYR A 96 8.098 -17.837 2.462 1.00 0.00 O ATOM 0 H TYR A 96 6.411 -14.016 -4.494 1.00 0.00 H new ATOM 0 HA TYR A 96 7.888 -16.254 -3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.709 -14.166 -2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.995 -14.433 -2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.252 -16.223 -1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.337 -15.386 -0.132 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.748 -17.481 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.832 -16.637 1.921 1.00 0.00 H new ATOM 0 HH TYR A 96 9.068 -17.936 2.557 1.00 0.00 H new ATOM 1566 N ASN A 97 4.620 -16.570 -3.239 1.00 0.00 N ATOM 1567 CA ASN A 97 3.554 -17.548 -3.057 1.00 0.00 C ATOM 1568 C ASN A 97 3.006 -18.013 -4.403 1.00 0.00 C ATOM 1569 O ASN A 97 2.870 -17.221 -5.335 1.00 0.00 O ATOM 1570 CB ASN A 97 2.426 -16.952 -2.212 1.00 0.00 C ATOM 1571 CG ASN A 97 2.821 -16.781 -0.758 1.00 0.00 C ATOM 1572 OD1 ASN A 97 2.980 -17.759 -0.027 1.00 0.00 O ATOM 1573 ND2 ASN A 97 2.981 -15.534 -0.332 1.00 0.00 N ATOM 0 H ASN A 97 4.302 -15.602 -3.278 1.00 0.00 H new ATOM 0 HA ASN A 97 3.971 -18.411 -2.538 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.140 -15.984 -2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.550 -17.597 -2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.246 -15.356 0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.839 -14.754 -0.973 1.00 0.00 H new ATOM 1580 N GLU A 98 2.692 -19.302 -4.495 1.00 0.00 N ATOM 1581 CA GLU A 98 2.159 -19.871 -5.727 1.00 0.00 C ATOM 1582 C GLU A 98 0.795 -19.272 -6.057 1.00 0.00 C ATOM 1583 O GLU A 98 0.046 -18.847 -5.178 1.00 0.00 O ATOM 1584 CB GLU A 98 2.044 -21.392 -5.604 1.00 0.00 C ATOM 1585 CG GLU A 98 3.361 -22.078 -5.283 1.00 0.00 C ATOM 1586 CD GLU A 98 3.314 -23.574 -5.525 1.00 0.00 C ATOM 1587 OE1 GLU A 98 3.015 -23.982 -6.666 1.00 0.00 O ATOM 1588 OE2 GLU A 98 3.577 -24.337 -4.571 1.00 0.00 O ATOM 0 H GLU A 98 2.797 -19.971 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 98 2.848 -19.630 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.320 -21.631 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.652 -21.795 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.152 -21.640 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.620 -21.890 -4.241 1.00 0.00 H new ATOM 1595 N PRO A 99 0.464 -19.236 -7.357 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.810 -18.692 -7.835 1.00 0.00 C ATOM 1597 C PRO A 99 -1.996 -19.573 -7.456 1.00 0.00 C ATOM 1598 O PRO A 99 -3.138 -19.275 -7.803 1.00 0.00 O ATOM 1599 CB PRO A 99 -0.634 -18.657 -9.355 1.00 0.00 C ATOM 1600 CG PRO A 99 0.380 -19.711 -9.642 1.00 0.00 C ATOM 1601 CD PRO A 99 1.308 -19.726 -8.460 1.00 0.00 C ATOM 0 HA PRO A 99 -1.027 -17.719 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.574 -18.862 -9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.294 -17.678 -9.692 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.095 -20.683 -9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.923 -19.490 -10.561 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.688 -20.728 -8.260 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.173 -19.083 -8.620 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.716 -20.659 -6.742 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.760 -21.583 -6.317 1.00 0.00 C ATOM 1611 C GLU A 100 -2.794 -21.704 -4.796 1.00 0.00 C ATOM 1612 O GLU A 100 -2.882 -22.805 -4.252 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.539 -22.961 -6.944 1.00 0.00 C ATOM 1614 CG GLU A 100 -3.752 -23.872 -6.856 1.00 0.00 C ATOM 1615 CD GLU A 100 -3.409 -25.327 -7.112 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -2.459 -25.833 -6.479 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -4.092 -25.959 -7.946 1.00 0.00 O ATOM 0 H GLU A 100 -0.775 -20.920 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.718 -21.188 -6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.266 -22.834 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.696 -23.444 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.202 -23.777 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.500 -23.546 -7.579 1.00 0.00 H new ATOM 1624 N SER A 101 -2.724 -20.564 -4.116 1.00 0.00 N ATOM 1625 CA SER A 101 -2.742 -20.542 -2.658 1.00 0.00 C ATOM 1626 C SER A 101 -3.866 -19.648 -2.143 1.00 0.00 C ATOM 1627 O SER A 101 -4.593 -19.032 -2.923 1.00 0.00 O ATOM 1628 CB SER A 101 -1.397 -20.053 -2.118 1.00 0.00 C ATOM 1629 OG SER A 101 -1.104 -18.747 -2.585 1.00 0.00 O ATOM 0 H SER A 101 -2.654 -19.644 -4.551 1.00 0.00 H new ATOM 0 HA SER A 101 -2.919 -21.558 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.416 -20.057 -1.028 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.607 -20.738 -2.426 1.00 0.00 H new ATOM 0 HG SER A 101 -0.707 -18.801 -3.479 1.00 0.00 H new ATOM 1635 N LEU A 102 -4.002 -19.581 -0.823 1.00 0.00 N ATOM 1636 CA LEU A 102 -5.037 -18.763 -0.201 1.00 0.00 C ATOM 1637 C LEU A 102 -4.654 -17.287 -0.230 1.00 0.00 C ATOM 1638 O LEU A 102 -5.363 -16.463 -0.809 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.272 -19.212 1.242 1.00 0.00 C ATOM 1640 CG LEU A 102 -6.230 -20.389 1.432 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -6.244 -20.838 2.885 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -7.632 -20.013 0.974 1.00 0.00 C ATOM 0 H LEU A 102 -3.408 -20.083 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.958 -18.892 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.310 -19.478 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.655 -18.363 1.808 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.880 -21.221 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.931 -21.676 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.241 -21.148 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.569 -20.012 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.301 -20.862 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.991 -19.166 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.609 -19.742 -0.081 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.529 -16.960 0.396 1.00 0.00 N ATOM 1655 CA ILE A 103 -3.051 -15.584 0.439 1.00 0.00 C ATOM 1656 C ILE A 103 -3.081 -14.948 -0.947 1.00 0.00 C ATOM 1657 O ILE A 103 -3.483 -13.795 -1.104 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.618 -15.503 0.998 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.204 -14.042 1.190 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.646 -16.217 0.070 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.009 -13.870 2.077 1.00 0.00 C ATOM 0 H ILE A 103 -2.931 -17.629 0.881 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.722 -15.037 1.102 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.594 -15.999 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.997 -13.600 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.040 -13.489 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.362 -16.151 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.933 -17.265 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.670 -15.747 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.245 -12.810 2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.201 -14.282 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.858 -14.394 1.638 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.654 -15.708 -1.949 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.632 -15.219 -3.323 1.00 0.00 C ATOM 1675 C TYR A 104 -3.998 -14.676 -3.730 1.00 0.00 C ATOM 1676 O TYR A 104 -4.142 -13.493 -4.040 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.210 -16.337 -4.277 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.328 -15.964 -5.738 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -3.547 -16.049 -6.400 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -1.222 -15.525 -6.455 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -3.660 -15.709 -7.734 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -1.326 -15.182 -7.789 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.547 -15.276 -8.424 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.655 -14.936 -9.753 1.00 0.00 O ATOM 0 H TYR A 104 -2.319 -16.665 -1.836 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.907 -14.407 -3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.178 -16.615 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.823 -17.218 -4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.421 -16.387 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.265 -15.451 -5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.615 -15.782 -8.234 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -0.456 -14.842 -8.332 1.00 0.00 H new ATOM 0 HH TYR A 104 -1.780 -14.651 -10.090 1.00 0.00 H new ATOM 1694 N LYS A 105 -4.999 -15.549 -3.727 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.356 -15.160 -4.094 1.00 0.00 C ATOM 1696 C LYS A 105 -6.805 -13.937 -3.299 1.00 0.00 C ATOM 1697 O LYS A 105 -7.450 -13.038 -3.838 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.324 -16.320 -3.855 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.374 -17.317 -5.000 1.00 0.00 C ATOM 1700 CD LYS A 105 -8.358 -18.440 -4.720 1.00 0.00 C ATOM 1701 CE LYS A 105 -8.476 -19.387 -5.904 1.00 0.00 C ATOM 1702 NZ LYS A 105 -7.494 -20.503 -5.821 1.00 0.00 N ATOM 0 H LYS A 105 -4.896 -16.532 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.360 -14.905 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.034 -16.842 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.324 -15.919 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.659 -16.803 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.381 -17.735 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.036 -18.996 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.337 -18.019 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.486 -19.794 -5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.319 -18.833 -6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.606 -21.126 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.529 -20.116 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.660 -21.047 -4.951 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.458 -13.911 -2.017 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.823 -12.797 -1.149 1.00 0.00 C ATOM 1718 C ASP A 106 -6.203 -11.495 -1.647 1.00 0.00 C ATOM 1719 O ASP A 106 -6.907 -10.518 -1.899 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.375 -13.074 0.287 1.00 0.00 C ATOM 1721 CG ASP A 106 -7.133 -14.225 0.918 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -8.305 -14.440 0.543 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -6.555 -14.910 1.787 1.00 0.00 O ATOM 0 H ASP A 106 -5.925 -14.648 -1.556 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.908 -12.693 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.308 -13.298 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.517 -12.176 0.888 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.881 -11.489 -1.784 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.167 -10.308 -2.252 1.00 0.00 C ATOM 1730 C ALA A 107 -4.874 -9.676 -3.446 1.00 0.00 C ATOM 1731 O ALA A 107 -5.175 -8.481 -3.442 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.734 -10.666 -2.614 1.00 0.00 C ATOM 0 H ALA A 107 -4.283 -12.289 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.154 -9.578 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.213 -9.774 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.225 -11.064 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.735 -11.417 -3.404 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.135 -10.483 -4.468 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.807 -10.003 -5.671 1.00 0.00 C ATOM 1740 C LEU A 108 -7.057 -9.205 -5.314 1.00 0.00 C ATOM 1741 O LEU A 108 -7.159 -8.018 -5.627 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.179 -11.179 -6.575 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.129 -11.590 -7.608 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -4.988 -10.521 -8.680 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -3.790 -11.850 -6.932 1.00 0.00 C ATOM 0 H LEU A 108 -4.892 -11.473 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.119 -9.347 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.396 -12.041 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.100 -10.929 -7.102 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.458 -12.513 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.237 -10.831 -9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.945 -10.383 -9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.682 -9.582 -8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.054 -12.141 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.455 -10.944 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.901 -12.652 -6.202 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.006 -9.863 -4.656 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.248 -9.215 -4.254 1.00 0.00 C ATOM 1759 C VAL A 109 -8.991 -7.800 -3.749 1.00 0.00 C ATOM 1760 O VAL A 109 -9.539 -6.831 -4.276 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.970 -10.017 -3.155 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.230 -9.294 -2.706 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.297 -11.419 -3.648 1.00 0.00 C ATOM 0 H VAL A 109 -7.938 -10.845 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.883 -9.172 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.305 -10.104 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.726 -9.876 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.965 -8.313 -2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.903 -9.174 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.807 -11.972 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.944 -11.355 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.375 -11.935 -3.915 1.00 0.00 H new ATOM 1773 N LEU A 110 -8.153 -7.687 -2.724 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.821 -6.389 -2.146 1.00 0.00 C ATOM 1775 C LEU A 110 -7.419 -5.396 -3.232 1.00 0.00 C ATOM 1776 O LEU A 110 -8.044 -4.347 -3.391 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.689 -6.536 -1.129 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.996 -7.393 0.099 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.717 -7.734 0.847 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.977 -6.678 1.017 1.00 0.00 C ATOM 0 H LEU A 110 -7.691 -8.478 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.708 -6.007 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.824 -6.962 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.401 -5.541 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.454 -8.323 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.956 -8.344 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.047 -8.288 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.229 -6.815 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.184 -7.303 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.545 -5.732 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.905 -6.486 0.479 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.374 -5.736 -3.979 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.890 -4.875 -5.053 1.00 0.00 C ATOM 1794 C HIS A 111 -7.053 -4.205 -5.778 1.00 0.00 C ATOM 1795 O HIS A 111 -7.211 -2.985 -5.725 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.053 -5.684 -6.045 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.082 -4.853 -6.826 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -2.991 -5.386 -7.480 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.043 -3.520 -7.058 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -2.322 -4.417 -8.078 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -2.940 -3.274 -7.838 1.00 0.00 N ATOM 0 H HIS A 111 -5.846 -6.601 -3.861 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.266 -4.099 -4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.505 -6.454 -5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.720 -6.196 -6.738 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -2.740 -6.374 -7.499 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.748 -2.786 -6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.423 -4.538 -8.664 1.00 0.00 H new ATOM 1810 N LYS A 112 -7.865 -5.010 -6.455 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.014 -4.496 -7.191 1.00 0.00 C ATOM 1812 C LYS A 112 -9.779 -3.471 -6.358 1.00 0.00 C ATOM 1813 O LYS A 112 -10.107 -2.387 -6.839 1.00 0.00 O ATOM 1814 CB LYS A 112 -9.945 -5.643 -7.589 1.00 0.00 C ATOM 1815 CG LYS A 112 -9.585 -6.286 -8.917 1.00 0.00 C ATOM 1816 CD LYS A 112 -10.262 -7.636 -9.085 1.00 0.00 C ATOM 1817 CE LYS A 112 -9.480 -8.538 -10.026 1.00 0.00 C ATOM 1818 NZ LYS A 112 -10.102 -9.886 -10.148 1.00 0.00 N ATOM 0 H LYS A 112 -7.748 -6.022 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.647 -4.005 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.924 -6.404 -6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.967 -5.268 -7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.879 -5.626 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.504 -6.410 -8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.359 -8.119 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.271 -7.493 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.424 -8.074 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.457 -8.642 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.539 -10.471 -10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.133 -10.340 -9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.069 -9.790 -10.518 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.058 -3.822 -5.107 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.782 -2.932 -4.207 1.00 0.00 C ATOM 1834 C VAL A 113 -10.037 -1.615 -4.020 1.00 0.00 C ATOM 1835 O VAL A 113 -10.579 -0.540 -4.283 1.00 0.00 O ATOM 1836 CB VAL A 113 -11.001 -3.584 -2.829 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.685 -2.612 -1.880 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.812 -4.864 -2.969 1.00 0.00 C ATOM 0 H VAL A 113 -9.794 -4.716 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.751 -2.737 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.028 -3.840 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.831 -3.091 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.063 -1.726 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.652 -2.322 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.958 -5.312 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.782 -4.634 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -11.278 -5.564 -3.611 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.792 -1.705 -3.566 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.971 -0.520 -3.344 1.00 0.00 C ATOM 1850 C LEU A 114 -8.098 0.456 -4.509 1.00 0.00 C ATOM 1851 O LEU A 114 -8.198 1.668 -4.310 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.506 -0.918 -3.155 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.482 0.210 -3.286 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.523 1.113 -2.063 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.084 -0.360 -3.484 1.00 0.00 C ATOM 0 H LEU A 114 -8.329 -2.586 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.326 -0.026 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.397 -1.368 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.263 -1.689 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.737 0.807 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.788 1.910 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.518 1.548 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.293 0.529 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.368 0.457 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.819 -0.981 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.063 -0.965 -4.391 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.095 -0.078 -5.725 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.212 0.745 -6.924 1.00 0.00 C ATOM 1869 C LEU A 115 -9.539 1.498 -6.939 1.00 0.00 C ATOM 1870 O LEU A 115 -9.565 2.728 -6.903 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.092 -0.123 -8.177 1.00 0.00 C ATOM 1872 CG LEU A 115 -6.809 -0.946 -8.303 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -6.906 -1.913 -9.473 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -5.603 -0.032 -8.463 1.00 0.00 C ATOM 0 H LEU A 115 -8.013 -1.078 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.401 1.473 -6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.942 -0.805 -8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.173 0.523 -9.051 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.682 -1.526 -7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.984 -2.489 -9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.746 -2.590 -9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.058 -1.353 -10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.699 -0.635 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.723 0.575 -9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.522 0.619 -7.592 1.00 0.00 H new ATOM 1886 N GLU A 116 -10.637 0.751 -6.991 1.00 0.00 N ATOM 1887 CA GLU A 116 -11.967 1.350 -7.010 1.00 0.00 C ATOM 1888 C GLU A 116 -12.196 2.204 -5.766 1.00 0.00 C ATOM 1889 O GLU A 116 -13.049 3.092 -5.757 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.039 0.261 -7.100 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.294 -0.451 -5.782 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.578 -1.258 -5.795 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.650 -0.671 -5.538 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -14.512 -2.476 -6.062 1.00 0.00 O ATOM 0 H GLU A 116 -10.632 -0.269 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.037 1.992 -7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.970 0.707 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.738 -0.473 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.456 -1.112 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.339 0.284 -4.979 1.00 0.00 H new ATOM 1901 N THR A 117 -11.429 1.928 -4.716 1.00 0.00 N ATOM 1902 CA THR A 117 -11.549 2.668 -3.466 1.00 0.00 C ATOM 1903 C THR A 117 -11.038 4.096 -3.622 1.00 0.00 C ATOM 1904 O THR A 117 -11.820 5.046 -3.652 1.00 0.00 O ATOM 1905 CB THR A 117 -10.774 1.979 -2.328 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.356 0.702 -2.043 1.00 0.00 O ATOM 1907 CG2 THR A 117 -10.780 2.836 -1.072 1.00 0.00 C ATOM 0 H THR A 117 -10.718 1.197 -4.707 1.00 0.00 H new ATOM 0 HA THR A 117 -12.609 2.689 -3.212 1.00 0.00 H new ATOM 0 HB THR A 117 -9.742 1.844 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.341 0.148 -2.851 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.226 2.328 -0.282 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.310 3.796 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 117 -11.808 2.999 -0.748 1.00 0.00 H new ATOM 1915 N ARG A 118 -9.720 4.240 -3.721 1.00 0.00 N ATOM 1916 CA ARG A 118 -9.105 5.553 -3.874 1.00 0.00 C ATOM 1917 C ARG A 118 -9.823 6.369 -4.945 1.00 0.00 C ATOM 1918 O ARG A 118 -9.932 7.591 -4.839 1.00 0.00 O ATOM 1919 CB ARG A 118 -7.625 5.407 -4.234 1.00 0.00 C ATOM 1920 CG ARG A 118 -7.359 4.360 -5.303 1.00 0.00 C ATOM 1921 CD ARG A 118 -7.281 4.983 -6.687 1.00 0.00 C ATOM 1922 NE ARG A 118 -6.543 4.142 -7.626 1.00 0.00 N ATOM 1923 CZ ARG A 118 -5.917 4.613 -8.699 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -5.940 5.911 -8.968 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -5.266 3.784 -9.505 1.00 0.00 N ATOM 0 H ARG A 118 -9.058 3.464 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.191 6.080 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.247 6.370 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -7.065 5.147 -3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.425 3.843 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.150 3.611 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.289 5.151 -7.066 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.800 5.959 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.506 3.138 -7.448 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -6.439 6.551 -8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -5.458 6.270 -9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.246 2.785 -9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.786 4.146 -10.329 1.00 0.00 H new