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 54 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 ASN : amide:sc= -2.09! C(o=-2.1!,f=-7.7!) USER MOD Set 2.1: A 60 LYS NZ :NH3+ -103:sc= -0.0295 (180deg=0) USER MOD Set 2.2: A 62 MET CE :methyl 167:sc= -3.93! (180deg=-4.88!) USER MOD Set 2.3: A 66 LYS NZ :NH3+ 150:sc= -0.0319 (180deg=0) USER MOD Single : A 16 MET CE :methyl -164:sc= -0.0312 (180deg=-0.349) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 18 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.9) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= -0.391 (180deg=-0.96) USER MOD Single : A 21 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.4) USER MOD Single : A 24 TYR OH : rot 39:sc= 1.09 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -0.974 (180deg=-2.31!) USER MOD Single : A 29 ASN : amide:sc= -0.0853 X(o=-0.085,f=-0.085) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0137 USER MOD Single : A 31 THR OG1 : rot -160:sc= -0.0887 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 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 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 91:sc= 0.246 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -174:sc= -0.314 (180deg=-0.332) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.047) USER MOD Single : A 71 MET CE :methyl 173:sc= -3.06! (180deg=-3.63!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.064 K(o=-0.064,f=-1.2!) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.0011 (180deg=-0.69) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 77 GLN : amide:sc= -0.0105 X(o=-0.011,f=-0.0037) USER MOD Single : A 81 SER OG : rot -140:sc= 0.0139 USER MOD Single : A 82 MET CE :methyl -120:sc= -0.694 (180deg=-3.62!) USER MOD Single : A 88 MET CE :methyl -178:sc= -0.0644 (180deg=-0.0697) USER MOD Single : A 89 MET CE :methyl -103:sc= -0.994 (180deg=-2.8!) USER MOD Single : A 91 ASN : amide:sc= -0.0402 K(o=-0.04,f=-1.5!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.708 X(o=-0.71,f=-0.36) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -141:sc= -0.099 (180deg=-0.846) USER MOD Single : A 111 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.17) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -160:sc= -0.645 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -7.859 17.848 2.720 1.00 0.00 N ATOM 196 CA PRO A 15 -8.738 16.791 2.212 1.00 0.00 C ATOM 197 C PRO A 15 -7.964 15.676 1.518 1.00 0.00 C ATOM 198 O PRO A 15 -8.469 14.566 1.354 1.00 0.00 O ATOM 199 CB PRO A 15 -9.633 17.525 1.210 1.00 0.00 C ATOM 200 CG PRO A 15 -8.827 18.699 0.772 1.00 0.00 C ATOM 201 CD PRO A 15 -8.004 19.104 1.964 1.00 0.00 C ATOM 0 HA PRO A 15 -9.287 16.298 3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.891 16.885 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.570 17.838 1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.189 18.441 -0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.472 19.516 0.447 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.036 19.508 1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.502 19.873 2.554 1.00 0.00 H new ATOM 209 N MET A 16 -6.735 15.979 1.113 1.00 0.00 N ATOM 210 CA MET A 16 -5.890 15.001 0.438 1.00 0.00 C ATOM 211 C MET A 16 -5.313 14.001 1.435 1.00 0.00 C ATOM 212 O MET A 16 -5.214 12.809 1.145 1.00 0.00 O ATOM 213 CB MET A 16 -4.756 15.704 -0.311 1.00 0.00 C ATOM 214 CG MET A 16 -5.119 16.096 -1.734 1.00 0.00 C ATOM 215 SD MET A 16 -5.484 14.670 -2.775 1.00 0.00 S ATOM 216 CE MET A 16 -3.861 13.926 -2.912 1.00 0.00 C ATOM 0 H MET A 16 -6.302 16.894 1.241 1.00 0.00 H new ATOM 0 HA MET A 16 -6.507 14.459 -0.278 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.467 16.598 0.241 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.886 15.048 -0.334 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.985 16.758 -1.715 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.296 16.660 -2.173 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.856 13.214 -3.737 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.119 14.703 -3.098 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.619 13.408 -1.984 1.00 0.00 H new ATOM 226 N GLN A 17 -4.933 14.495 2.609 1.00 0.00 N ATOM 227 CA GLN A 17 -4.365 13.644 3.648 1.00 0.00 C ATOM 228 C GLN A 17 -5.394 12.636 4.149 1.00 0.00 C ATOM 229 O GLN A 17 -5.139 11.432 4.166 1.00 0.00 O ATOM 230 CB GLN A 17 -3.858 14.495 4.813 1.00 0.00 C ATOM 231 CG GLN A 17 -3.402 13.676 6.011 1.00 0.00 C ATOM 232 CD GLN A 17 -2.669 14.510 7.043 1.00 0.00 C ATOM 233 OE1 GLN A 17 -2.656 15.740 6.969 1.00 0.00 O ATOM 234 NE2 GLN A 17 -2.052 13.845 8.012 1.00 0.00 N ATOM 0 H GLN A 17 -5.008 15.480 2.864 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.527 13.096 3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.028 15.112 4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.650 15.174 5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.269 13.208 6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.750 12.872 5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.089 12.826 8.035 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.541 14.353 8.734 1.00 0.00 H new ATOM 243 N GLN A 18 -6.556 13.136 4.556 1.00 0.00 N ATOM 244 CA GLN A 18 -7.623 12.278 5.058 1.00 0.00 C ATOM 245 C GLN A 18 -7.901 11.133 4.090 1.00 0.00 C ATOM 246 O GLN A 18 -8.045 9.981 4.500 1.00 0.00 O ATOM 247 CB GLN A 18 -8.897 13.093 5.283 1.00 0.00 C ATOM 248 CG GLN A 18 -9.463 13.703 4.011 1.00 0.00 C ATOM 249 CD GLN A 18 -10.639 14.621 4.277 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.497 15.663 4.918 1.00 0.00 O ATOM 251 NE2 GLN A 18 -11.812 14.239 3.784 1.00 0.00 N ATOM 0 H GLN A 18 -6.783 14.130 4.548 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.299 11.855 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.653 12.452 5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.687 13.890 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.679 14.262 3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.775 12.905 3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.885 13.368 3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.640 14.817 3.931 1.00 0.00 H new ATOM 260 N LYS A 19 -7.977 11.457 2.804 1.00 0.00 N ATOM 261 CA LYS A 19 -8.238 10.456 1.776 1.00 0.00 C ATOM 262 C LYS A 19 -7.302 9.261 1.930 1.00 0.00 C ATOM 263 O LYS A 19 -7.751 8.123 2.072 1.00 0.00 O ATOM 264 CB LYS A 19 -8.074 11.070 0.384 1.00 0.00 C ATOM 265 CG LYS A 19 -8.129 10.051 -0.741 1.00 0.00 C ATOM 266 CD LYS A 19 -9.548 9.563 -0.982 1.00 0.00 C ATOM 267 CE LYS A 19 -9.764 9.172 -2.436 1.00 0.00 C ATOM 268 NZ LYS A 19 -8.961 7.975 -2.813 1.00 0.00 N ATOM 0 H LYS A 19 -7.861 12.406 2.448 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.264 10.109 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.857 11.812 0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.121 11.598 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.736 10.495 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.488 9.204 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.753 8.707 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.255 10.345 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.821 8.968 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.494 10.008 -3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.931 7.889 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.993 8.076 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.397 7.122 -2.408 1.00 0.00 H new ATOM 282 N LEU A 20 -6.001 9.528 1.903 1.00 0.00 N ATOM 283 CA LEU A 20 -5.002 8.474 2.042 1.00 0.00 C ATOM 284 C LEU A 20 -5.340 7.553 3.210 1.00 0.00 C ATOM 285 O LEU A 20 -5.718 6.399 3.013 1.00 0.00 O ATOM 286 CB LEU A 20 -3.614 9.084 2.244 1.00 0.00 C ATOM 287 CG LEU A 20 -2.893 9.546 0.977 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.921 10.671 1.296 1.00 0.00 C ATOM 289 CD2 LEU A 20 -2.166 8.381 0.321 1.00 0.00 C ATOM 0 H LEU A 20 -5.613 10.464 1.786 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.003 7.883 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.708 9.937 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.986 8.349 2.748 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.638 9.924 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.417 10.987 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.467 11.514 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.181 10.320 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.659 8.729 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.432 7.972 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.885 7.606 0.056 1.00 0.00 H new ATOM 301 N ASN A 21 -5.202 8.072 4.425 1.00 0.00 N ATOM 302 CA ASN A 21 -5.495 7.297 5.625 1.00 0.00 C ATOM 303 C ASN A 21 -6.797 6.518 5.466 1.00 0.00 C ATOM 304 O ASN A 21 -6.894 5.362 5.876 1.00 0.00 O ATOM 305 CB ASN A 21 -5.584 8.218 6.844 1.00 0.00 C ATOM 306 CG ASN A 21 -5.602 7.448 8.150 1.00 0.00 C ATOM 307 OD1 ASN A 21 -5.415 6.232 8.170 1.00 0.00 O ATOM 308 ND2 ASN A 21 -5.828 8.156 9.251 1.00 0.00 N ATOM 0 H ASN A 21 -4.889 9.026 4.605 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.683 6.585 5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.736 8.903 6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.486 8.826 6.771 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.852 7.693 10.159 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.978 9.163 9.188 1.00 0.00 H new ATOM 315 N GLU A 22 -7.795 7.160 4.867 1.00 0.00 N ATOM 316 CA GLU A 22 -9.091 6.528 4.653 1.00 0.00 C ATOM 317 C GLU A 22 -8.967 5.340 3.703 1.00 0.00 C ATOM 318 O GLU A 22 -9.569 4.289 3.923 1.00 0.00 O ATOM 319 CB GLU A 22 -10.092 7.540 4.093 1.00 0.00 C ATOM 320 CG GLU A 22 -10.666 8.474 5.145 1.00 0.00 C ATOM 321 CD GLU A 22 -12.013 9.045 4.746 1.00 0.00 C ATOM 322 OE1 GLU A 22 -12.066 9.796 3.749 1.00 0.00 O ATOM 323 OE2 GLU A 22 -13.013 8.742 5.429 1.00 0.00 O ATOM 0 H GLU A 22 -7.731 8.117 4.521 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.452 6.166 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.603 8.133 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.909 7.002 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.769 7.935 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.967 9.291 5.320 1.00 0.00 H new ATOM 330 N VAL A 23 -8.181 5.515 2.646 1.00 0.00 N ATOM 331 CA VAL A 23 -7.977 4.459 1.662 1.00 0.00 C ATOM 332 C VAL A 23 -7.081 3.357 2.217 1.00 0.00 C ATOM 333 O VAL A 23 -7.195 2.195 1.826 1.00 0.00 O ATOM 334 CB VAL A 23 -7.350 5.011 0.367 1.00 0.00 C ATOM 335 CG1 VAL A 23 -7.098 3.887 -0.626 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.242 6.082 -0.241 1.00 0.00 C ATOM 0 H VAL A 23 -7.675 6.378 2.449 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.959 4.045 1.434 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.391 5.466 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.655 4.296 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.416 3.159 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.042 3.399 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.784 6.461 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.217 5.654 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.365 6.900 0.469 1.00 0.00 H new ATOM 346 N TYR A 24 -6.192 3.729 3.130 1.00 0.00 N ATOM 347 CA TYR A 24 -5.275 2.772 3.738 1.00 0.00 C ATOM 348 C TYR A 24 -6.018 1.827 4.678 1.00 0.00 C ATOM 349 O TYR A 24 -5.823 0.613 4.636 1.00 0.00 O ATOM 350 CB TYR A 24 -4.171 3.506 4.502 1.00 0.00 C ATOM 351 CG TYR A 24 -3.330 2.599 5.371 1.00 0.00 C ATOM 352 CD1 TYR A 24 -2.594 1.559 4.816 1.00 0.00 C ATOM 353 CD2 TYR A 24 -3.273 2.780 6.747 1.00 0.00 C ATOM 354 CE1 TYR A 24 -1.825 0.727 5.607 1.00 0.00 C ATOM 355 CE2 TYR A 24 -2.505 1.954 7.545 1.00 0.00 C ATOM 356 CZ TYR A 24 -1.783 0.929 6.971 1.00 0.00 C ATOM 357 OH TYR A 24 -1.019 0.103 7.762 1.00 0.00 O ATOM 0 H TYR A 24 -6.086 4.686 3.466 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.825 2.182 2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.523 4.014 3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.623 4.276 5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.624 1.398 3.748 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.839 3.580 7.201 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.260 -0.077 5.160 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.470 2.110 8.613 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.183 -0.112 7.299 1.00 0.00 H new ATOM 367 N GLU A 25 -6.870 2.396 5.525 1.00 0.00 N ATOM 368 CA GLU A 25 -7.642 1.605 6.476 1.00 0.00 C ATOM 369 C GLU A 25 -8.715 0.789 5.761 1.00 0.00 C ATOM 370 O GLU A 25 -9.027 -0.332 6.161 1.00 0.00 O ATOM 371 CB GLU A 25 -8.291 2.514 7.522 1.00 0.00 C ATOM 372 CG GLU A 25 -7.319 3.020 8.576 1.00 0.00 C ATOM 373 CD GLU A 25 -7.900 4.141 9.414 1.00 0.00 C ATOM 374 OE1 GLU A 25 -8.635 4.982 8.854 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.621 4.179 10.631 1.00 0.00 O ATOM 0 H GLU A 25 -7.043 3.400 5.572 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.959 0.918 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.744 3.368 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.097 1.970 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.034 2.194 9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.409 3.370 8.088 1.00 0.00 H new ATOM 382 N ALA A 26 -9.276 1.361 4.700 1.00 0.00 N ATOM 383 CA ALA A 26 -10.312 0.687 3.928 1.00 0.00 C ATOM 384 C ALA A 26 -9.964 -0.780 3.704 1.00 0.00 C ATOM 385 O ALA A 26 -10.799 -1.664 3.899 1.00 0.00 O ATOM 386 CB ALA A 26 -10.519 1.391 2.595 1.00 0.00 C ATOM 0 H ALA A 26 -9.030 2.289 4.356 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.240 0.730 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.296 0.877 2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.822 2.423 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.588 1.378 2.028 1.00 0.00 H new ATOM 392 N VAL A 27 -8.725 -1.034 3.294 1.00 0.00 N ATOM 393 CA VAL A 27 -8.266 -2.395 3.044 1.00 0.00 C ATOM 394 C VAL A 27 -8.057 -3.153 4.350 1.00 0.00 C ATOM 395 O VAL A 27 -8.411 -4.327 4.462 1.00 0.00 O ATOM 396 CB VAL A 27 -6.951 -2.405 2.242 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.507 -3.833 1.962 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.111 -1.624 0.946 1.00 0.00 C ATOM 0 H VAL A 27 -8.021 -0.315 3.128 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.043 -2.889 2.461 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.178 -1.920 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.576 -3.820 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.350 -4.357 2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.276 -4.347 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.172 -1.642 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.897 -2.078 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.379 -0.592 1.174 1.00 0.00 H new ATOM 408 N LYS A 28 -7.482 -2.474 5.336 1.00 0.00 N ATOM 409 CA LYS A 28 -7.227 -3.082 6.637 1.00 0.00 C ATOM 410 C LYS A 28 -8.475 -3.783 7.163 1.00 0.00 C ATOM 411 O LYS A 28 -8.474 -4.995 7.374 1.00 0.00 O ATOM 412 CB LYS A 28 -6.766 -2.020 7.637 1.00 0.00 C ATOM 413 CG LYS A 28 -5.264 -1.794 7.635 1.00 0.00 C ATOM 414 CD LYS A 28 -4.833 -0.899 8.786 1.00 0.00 C ATOM 415 CE LYS A 28 -4.577 -1.703 10.051 1.00 0.00 C ATOM 416 NZ LYS A 28 -5.845 -2.162 10.683 1.00 0.00 N ATOM 0 H LYS A 28 -7.183 -1.502 5.259 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.438 -3.825 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.267 -1.079 7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.079 -2.316 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.751 -2.753 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.964 -1.342 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.929 -0.358 8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.605 -0.153 8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.957 -2.567 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.017 -1.094 10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.694 -2.301 11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.585 -1.446 10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.143 -3.060 10.252 1.00 0.00 H new ATOM 430 N ASN A 29 -9.538 -3.013 7.372 1.00 0.00 N ATOM 431 CA ASN A 29 -10.793 -3.562 7.873 1.00 0.00 C ATOM 432 C ASN A 29 -11.369 -4.582 6.896 1.00 0.00 C ATOM 433 O ASN A 29 -12.028 -5.541 7.300 1.00 0.00 O ATOM 434 CB ASN A 29 -11.805 -2.440 8.111 1.00 0.00 C ATOM 435 CG ASN A 29 -11.223 -1.299 8.923 1.00 0.00 C ATOM 436 OD1 ASN A 29 -10.946 -0.223 8.392 1.00 0.00 O ATOM 437 ND2 ASN A 29 -11.033 -1.529 10.216 1.00 0.00 N ATOM 0 H ASN A 29 -9.555 -2.007 7.202 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.589 -4.065 8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.153 -2.059 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.676 -2.843 8.628 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.643 -0.799 10.812 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.277 -2.436 10.614 1.00 0.00 H new ATOM 444 N TYR A 30 -11.114 -4.370 5.609 1.00 0.00 N ATOM 445 CA TYR A 30 -11.609 -5.270 4.574 1.00 0.00 C ATOM 446 C TYR A 30 -11.475 -6.727 5.009 1.00 0.00 C ATOM 447 O TYR A 30 -10.393 -7.179 5.383 1.00 0.00 O ATOM 448 CB TYR A 30 -10.847 -5.045 3.267 1.00 0.00 C ATOM 449 CG TYR A 30 -11.555 -5.597 2.050 1.00 0.00 C ATOM 450 CD1 TYR A 30 -12.500 -4.840 1.369 1.00 0.00 C ATOM 451 CD2 TYR A 30 -11.279 -6.876 1.583 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.150 -5.342 0.257 1.00 0.00 C ATOM 453 CE2 TYR A 30 -11.923 -7.385 0.471 1.00 0.00 C ATOM 454 CZ TYR A 30 -12.858 -6.614 -0.188 1.00 0.00 C ATOM 455 OH TYR A 30 -13.502 -7.116 -1.295 1.00 0.00 O ATOM 0 H TYR A 30 -10.568 -3.583 5.258 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.665 -5.053 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.686 -3.976 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.863 -5.508 3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.731 -3.843 1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.549 -7.483 2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.883 -4.741 -0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.695 -8.381 0.120 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.181 -8.024 -1.477 1.00 0.00 H new ATOM 465 N THR A 31 -12.585 -7.457 4.956 1.00 0.00 N ATOM 466 CA THR A 31 -12.594 -8.862 5.344 1.00 0.00 C ATOM 467 C THR A 31 -13.216 -9.729 4.256 1.00 0.00 C ATOM 468 O THR A 31 -13.767 -9.218 3.281 1.00 0.00 O ATOM 469 CB THR A 31 -13.366 -9.076 6.660 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.661 -8.471 6.572 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.604 -8.487 7.837 1.00 0.00 C ATOM 0 H THR A 31 -13.489 -7.098 4.648 1.00 0.00 H new ATOM 0 HA THR A 31 -11.555 -9.157 5.489 1.00 0.00 H new ATOM 0 HB THR A 31 -13.477 -10.148 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.016 -8.326 7.474 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.169 -8.650 8.755 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.631 -8.971 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.465 -7.417 7.682 1.00 0.00 H new ATOM 479 N ASP A 32 -13.126 -11.043 4.429 1.00 0.00 N ATOM 480 CA ASP A 32 -13.682 -11.982 3.462 1.00 0.00 C ATOM 481 C ASP A 32 -15.197 -11.830 3.367 1.00 0.00 C ATOM 482 O ASP A 32 -15.791 -10.987 4.038 1.00 0.00 O ATOM 483 CB ASP A 32 -13.324 -13.418 3.848 1.00 0.00 C ATOM 484 CG ASP A 32 -11.930 -13.808 3.397 1.00 0.00 C ATOM 485 OD1 ASP A 32 -11.643 -13.688 2.188 1.00 0.00 O ATOM 486 OD2 ASP A 32 -11.127 -14.235 4.253 1.00 0.00 O ATOM 0 H ASP A 32 -12.673 -11.482 5.230 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.250 -11.759 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.397 -13.529 4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.050 -14.101 3.407 1.00 0.00 H new ATOM 491 N LYS A 33 -15.817 -12.652 2.527 1.00 0.00 N ATOM 492 CA LYS A 33 -17.263 -12.611 2.343 1.00 0.00 C ATOM 493 C LYS A 33 -17.986 -12.777 3.676 1.00 0.00 C ATOM 494 O LYS A 33 -19.185 -12.517 3.779 1.00 0.00 O ATOM 495 CB LYS A 33 -17.705 -13.707 1.371 1.00 0.00 C ATOM 496 CG LYS A 33 -17.687 -13.272 -0.085 1.00 0.00 C ATOM 497 CD LYS A 33 -16.295 -13.385 -0.683 1.00 0.00 C ATOM 498 CE LYS A 33 -16.046 -14.771 -1.256 1.00 0.00 C ATOM 499 NZ LYS A 33 -16.685 -14.944 -2.590 1.00 0.00 N ATOM 0 H LYS A 33 -15.340 -13.355 1.962 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.524 -11.638 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -17.053 -14.572 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -18.713 -14.029 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.381 -13.887 -0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.035 -12.242 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.173 -12.638 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.550 -13.167 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.973 -14.940 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.433 -15.523 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.492 -15.902 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.712 -14.808 -2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.298 -14.243 -3.254 1.00 0.00 H new ATOM 513 N ARG A 34 -17.249 -13.211 4.694 1.00 0.00 N ATOM 514 CA ARG A 34 -17.821 -13.411 6.020 1.00 0.00 C ATOM 515 C ARG A 34 -17.297 -12.366 7.001 1.00 0.00 C ATOM 516 O ARG A 34 -18.046 -11.510 7.469 1.00 0.00 O ATOM 517 CB ARG A 34 -17.496 -14.815 6.532 1.00 0.00 C ATOM 518 CG ARG A 34 -18.012 -15.926 5.633 1.00 0.00 C ATOM 519 CD ARG A 34 -19.532 -15.941 5.583 1.00 0.00 C ATOM 520 NE ARG A 34 -20.054 -17.246 5.183 1.00 0.00 N ATOM 521 CZ ARG A 34 -19.941 -18.341 5.926 1.00 0.00 C ATOM 522 NH1 ARG A 34 -19.328 -18.289 7.101 1.00 0.00 N ATOM 523 NH2 ARG A 34 -20.442 -19.491 5.494 1.00 0.00 N ATOM 0 H ARG A 34 -16.255 -13.431 4.626 1.00 0.00 H new ATOM 0 HA ARG A 34 -18.903 -13.301 5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.415 -14.914 6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.923 -14.937 7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.615 -15.795 4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.649 -16.888 5.996 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -19.930 -15.676 6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -19.879 -15.181 4.882 1.00 0.00 H new ATOM 0 HE ARG A 34 -20.531 -17.320 4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.942 -17.406 7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.243 -19.132 7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.914 -19.534 4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.355 -20.332 6.065 1.00 0.00 H new ATOM 537 N GLY A 35 -16.006 -12.444 7.307 1.00 0.00 N ATOM 538 CA GLY A 35 -15.404 -11.500 8.231 1.00 0.00 C ATOM 539 C GLY A 35 -14.007 -11.912 8.653 1.00 0.00 C ATOM 540 O GLY A 35 -13.596 -11.664 9.786 1.00 0.00 O ATOM 0 H GLY A 35 -15.366 -13.144 6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.364 -10.515 7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.035 -11.409 9.115 1.00 0.00 H new ATOM 544 N ARG A 36 -13.277 -12.544 7.740 1.00 0.00 N ATOM 545 CA ARG A 36 -11.920 -12.993 8.024 1.00 0.00 C ATOM 546 C ARG A 36 -10.893 -12.047 7.407 1.00 0.00 C ATOM 547 O ARG A 36 -10.856 -11.864 6.191 1.00 0.00 O ATOM 548 CB ARG A 36 -11.707 -14.411 7.491 1.00 0.00 C ATOM 549 CG ARG A 36 -10.570 -15.154 8.173 1.00 0.00 C ATOM 550 CD ARG A 36 -10.692 -16.658 7.980 1.00 0.00 C ATOM 551 NE ARG A 36 -10.265 -17.074 6.646 1.00 0.00 N ATOM 552 CZ ARG A 36 -10.350 -18.324 6.205 1.00 0.00 C ATOM 553 NH1 ARG A 36 -10.843 -19.275 6.986 1.00 0.00 N ATOM 554 NH2 ARG A 36 -9.941 -18.624 4.979 1.00 0.00 N ATOM 0 H ARG A 36 -13.603 -12.757 6.797 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.784 -12.994 9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.628 -14.980 7.617 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.507 -14.361 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.617 -14.811 7.771 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.569 -14.922 9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.089 -17.170 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.726 -16.962 8.141 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.881 -16.366 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.159 -19.048 7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.907 -20.234 6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.561 -17.895 4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.006 -19.584 4.640 1.00 0.00 H new ATOM 568 N ARG A 37 -10.063 -11.449 8.255 1.00 0.00 N ATOM 569 CA ARG A 37 -9.038 -10.521 7.794 1.00 0.00 C ATOM 570 C ARG A 37 -8.029 -11.229 6.894 1.00 0.00 C ATOM 571 O ARG A 37 -7.121 -11.908 7.376 1.00 0.00 O ATOM 572 CB ARG A 37 -8.318 -9.889 8.987 1.00 0.00 C ATOM 573 CG ARG A 37 -8.965 -8.604 9.478 1.00 0.00 C ATOM 574 CD ARG A 37 -8.058 -7.856 10.441 1.00 0.00 C ATOM 575 NE ARG A 37 -8.163 -8.370 11.804 1.00 0.00 N ATOM 576 CZ ARG A 37 -7.861 -7.658 12.883 1.00 0.00 C ATOM 577 NH1 ARG A 37 -7.439 -6.407 12.760 1.00 0.00 N ATOM 578 NH2 ARG A 37 -7.983 -8.196 14.090 1.00 0.00 N ATOM 0 H ARG A 37 -10.080 -11.591 9.265 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.527 -9.737 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.290 -10.608 9.806 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.285 -9.682 8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.199 -7.965 8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.909 -8.836 9.971 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.025 -7.936 10.102 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.315 -6.797 10.432 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.486 -9.329 11.934 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.346 -5.989 11.834 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.208 -5.863 13.591 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.309 -9.157 14.189 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.751 -7.648 14.918 1.00 0.00 H new ATOM 592 N LEU A 38 -8.194 -11.066 5.586 1.00 0.00 N ATOM 593 CA LEU A 38 -7.298 -11.689 4.618 1.00 0.00 C ATOM 594 C LEU A 38 -6.014 -10.881 4.466 1.00 0.00 C ATOM 595 O LEU A 38 -4.949 -11.434 4.191 1.00 0.00 O ATOM 596 CB LEU A 38 -7.994 -11.824 3.263 1.00 0.00 C ATOM 597 CG LEU A 38 -8.776 -10.599 2.785 1.00 0.00 C ATOM 598 CD1 LEU A 38 -8.772 -10.522 1.267 1.00 0.00 C ATOM 599 CD2 LEU A 38 -10.202 -10.638 3.315 1.00 0.00 C ATOM 0 H LEU A 38 -8.940 -10.508 5.171 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.038 -12.682 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.241 -12.065 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.678 -12.671 3.311 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.288 -9.705 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.333 -9.644 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.745 -10.447 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.235 -11.419 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.744 -9.759 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.700 -11.538 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.185 -10.644 4.405 1.00 0.00 H new ATOM 611 N SER A 39 -6.122 -9.568 4.647 1.00 0.00 N ATOM 612 CA SER A 39 -4.969 -8.683 4.527 1.00 0.00 C ATOM 613 C SER A 39 -3.999 -8.896 5.685 1.00 0.00 C ATOM 614 O SER A 39 -2.877 -8.389 5.670 1.00 0.00 O ATOM 615 CB SER A 39 -5.424 -7.222 4.490 1.00 0.00 C ATOM 616 OG SER A 39 -5.671 -6.731 5.796 1.00 0.00 O ATOM 0 H SER A 39 -6.995 -9.094 4.877 1.00 0.00 H new ATOM 0 HA SER A 39 -4.454 -8.920 3.596 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.660 -6.612 4.007 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.329 -7.135 3.888 1.00 0.00 H new ATOM 0 HG SER A 39 -5.959 -5.796 5.745 1.00 0.00 H new ATOM 622 N ALA A 40 -4.439 -9.650 6.687 1.00 0.00 N ATOM 623 CA ALA A 40 -3.610 -9.932 7.852 1.00 0.00 C ATOM 624 C ALA A 40 -2.217 -10.394 7.436 1.00 0.00 C ATOM 625 O ALA A 40 -1.211 -9.853 7.895 1.00 0.00 O ATOM 626 CB ALA A 40 -4.274 -10.981 8.731 1.00 0.00 C ATOM 0 H ALA A 40 -5.365 -10.077 6.715 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.504 -9.009 8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.644 -11.182 9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.244 -10.614 9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.410 -11.900 8.161 1.00 0.00 H new ATOM 632 N ILE A 41 -2.167 -11.396 6.565 1.00 0.00 N ATOM 633 CA ILE A 41 -0.897 -11.930 6.088 1.00 0.00 C ATOM 634 C ILE A 41 -0.082 -10.855 5.377 1.00 0.00 C ATOM 635 O ILE A 41 1.116 -11.021 5.145 1.00 0.00 O ATOM 636 CB ILE A 41 -1.110 -13.115 5.128 1.00 0.00 C ATOM 637 CG1 ILE A 41 0.175 -13.935 5.002 1.00 0.00 C ATOM 638 CG2 ILE A 41 -1.563 -12.617 3.763 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.068 -15.402 4.726 1.00 0.00 C ATOM 0 H ILE A 41 -2.991 -11.854 6.175 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.351 -12.277 6.965 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.890 -13.758 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.784 -13.519 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.750 -13.837 5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.709 -13.467 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.501 -12.072 3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.803 -11.955 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.887 -15.921 4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.651 -15.834 5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.616 -15.510 3.790 1.00 0.00 H new ATOM 651 N PHE A 42 -0.738 -9.751 5.035 1.00 0.00 N ATOM 652 CA PHE A 42 -0.074 -8.647 4.352 1.00 0.00 C ATOM 653 C PHE A 42 0.216 -7.504 5.320 1.00 0.00 C ATOM 654 O PHE A 42 1.099 -6.680 5.079 1.00 0.00 O ATOM 655 CB PHE A 42 -0.938 -8.143 3.194 1.00 0.00 C ATOM 656 CG PHE A 42 -1.049 -9.121 2.059 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.073 -9.776 1.580 1.00 0.00 C ATOM 658 CD2 PHE A 42 -2.277 -9.385 1.473 1.00 0.00 C ATOM 659 CE1 PHE A 42 -0.027 -10.676 0.535 1.00 0.00 C ATOM 660 CE2 PHE A 42 -2.383 -10.284 0.428 1.00 0.00 C ATOM 661 CZ PHE A 42 -1.256 -10.931 -0.040 1.00 0.00 C ATOM 0 H PHE A 42 -1.729 -9.597 5.220 1.00 0.00 H new ATOM 0 HA PHE A 42 0.873 -9.014 3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.937 -7.917 3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.520 -7.209 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.037 -9.582 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.161 -8.883 1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.856 -11.179 0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.345 -10.480 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.336 -11.635 -0.855 1.00 0.00 H new ATOM 671 N LEU A 43 -0.534 -7.460 6.416 1.00 0.00 N ATOM 672 CA LEU A 43 -0.358 -6.417 7.421 1.00 0.00 C ATOM 673 C LEU A 43 1.084 -6.376 7.917 1.00 0.00 C ATOM 674 O LEU A 43 1.609 -5.311 8.240 1.00 0.00 O ATOM 675 CB LEU A 43 -1.308 -6.651 8.597 1.00 0.00 C ATOM 676 CG LEU A 43 -2.755 -6.203 8.391 1.00 0.00 C ATOM 677 CD1 LEU A 43 -3.557 -6.383 9.671 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.804 -4.755 7.927 1.00 0.00 C ATOM 0 H LEU A 43 -1.269 -8.134 6.631 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.590 -5.458 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.308 -7.715 8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.909 -6.133 9.469 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.202 -6.827 7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.584 -6.059 9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.550 -7.434 9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.112 -5.785 10.466 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.842 -4.453 7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.340 -4.116 8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.266 -4.657 6.984 1.00 0.00 H new ATOM 690 N ARG A 44 1.718 -7.543 7.974 1.00 0.00 N ATOM 691 CA ARG A 44 3.099 -7.640 8.429 1.00 0.00 C ATOM 692 C ARG A 44 3.849 -8.727 7.664 1.00 0.00 C ATOM 693 O ARG A 44 3.275 -9.756 7.304 1.00 0.00 O ATOM 694 CB ARG A 44 3.145 -7.934 9.929 1.00 0.00 C ATOM 695 CG ARG A 44 3.024 -6.693 10.798 1.00 0.00 C ATOM 696 CD ARG A 44 2.691 -7.050 12.238 1.00 0.00 C ATOM 697 NE ARG A 44 1.256 -7.234 12.438 1.00 0.00 N ATOM 698 CZ ARG A 44 0.728 -7.743 13.546 1.00 0.00 C ATOM 699 NH1 ARG A 44 1.512 -8.117 14.547 1.00 0.00 N ATOM 700 NH2 ARG A 44 -0.588 -7.879 13.653 1.00 0.00 N ATOM 0 H ARG A 44 1.297 -8.434 7.711 1.00 0.00 H new ATOM 0 HA ARG A 44 3.585 -6.683 8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.339 -8.623 10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.081 -8.441 10.163 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.959 -6.134 10.768 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.249 -6.040 10.396 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.216 -7.964 12.516 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.051 -6.262 12.899 1.00 0.00 H new ATOM 0 HE ARG A 44 0.625 -6.957 11.686 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.524 -8.014 14.468 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.104 -8.507 15.396 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.194 -7.593 12.884 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.993 -8.270 14.504 1.00 0.00 H new ATOM 714 N LEU A 45 5.133 -8.491 7.418 1.00 0.00 N ATOM 715 CA LEU A 45 5.962 -9.449 6.695 1.00 0.00 C ATOM 716 C LEU A 45 6.927 -10.157 7.640 1.00 0.00 C ATOM 717 O LEU A 45 7.300 -9.635 8.691 1.00 0.00 O ATOM 718 CB LEU A 45 6.743 -8.743 5.585 1.00 0.00 C ATOM 719 CG LEU A 45 7.517 -7.492 6.002 1.00 0.00 C ATOM 720 CD1 LEU A 45 8.538 -7.829 7.077 1.00 0.00 C ATOM 721 CD2 LEU A 45 8.199 -6.861 4.796 1.00 0.00 C ATOM 0 H LEU A 45 5.623 -7.645 7.709 1.00 0.00 H new ATOM 0 HA LEU A 45 5.305 -10.196 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.447 -9.455 5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.044 -8.467 4.795 1.00 0.00 H new ATOM 0 HG LEU A 45 6.810 -6.772 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.079 -6.926 7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.027 -8.235 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.241 -8.567 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.745 -5.972 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.893 -7.576 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.447 -6.582 4.057 1.00 0.00 H new ATOM 733 N PRO A 46 7.345 -11.373 7.259 1.00 0.00 N ATOM 734 CA PRO A 46 8.274 -12.177 8.058 1.00 0.00 C ATOM 735 C PRO A 46 9.682 -11.591 8.073 1.00 0.00 C ATOM 736 O PRO A 46 10.409 -11.673 7.083 1.00 0.00 O ATOM 737 CB PRO A 46 8.268 -13.535 7.350 1.00 0.00 C ATOM 738 CG PRO A 46 7.883 -13.227 5.944 1.00 0.00 C ATOM 739 CD PRO A 46 6.941 -12.057 6.019 1.00 0.00 C ATOM 0 HA PRO A 46 7.975 -12.225 9.105 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.248 -14.010 7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.558 -14.220 7.814 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.760 -12.984 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.403 -14.085 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.039 -11.406 5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.901 -12.380 6.059 1.00 0.00 H new ATOM 747 N SER A 47 10.060 -11.001 9.202 1.00 0.00 N ATOM 748 CA SER A 47 11.381 -10.398 9.344 1.00 0.00 C ATOM 749 C SER A 47 12.468 -11.468 9.357 1.00 0.00 C ATOM 750 O SER A 47 12.191 -12.652 9.166 1.00 0.00 O ATOM 751 CB SER A 47 11.450 -9.569 10.628 1.00 0.00 C ATOM 752 OG SER A 47 11.221 -10.376 11.770 1.00 0.00 O ATOM 0 H SER A 47 9.471 -10.927 10.032 1.00 0.00 H new ATOM 0 HA SER A 47 11.549 -9.745 8.488 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.428 -9.093 10.705 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.709 -8.770 10.589 1.00 0.00 H new ATOM 0 HG SER A 47 11.272 -9.823 12.577 1.00 0.00 H new ATOM 758 N ARG A 48 13.706 -11.042 9.584 1.00 0.00 N ATOM 759 CA ARG A 48 14.836 -11.962 9.621 1.00 0.00 C ATOM 760 C ARG A 48 14.650 -13.008 10.716 1.00 0.00 C ATOM 761 O ARG A 48 14.804 -14.206 10.478 1.00 0.00 O ATOM 762 CB ARG A 48 16.139 -11.195 9.850 1.00 0.00 C ATOM 763 CG ARG A 48 17.383 -11.976 9.459 1.00 0.00 C ATOM 764 CD ARG A 48 17.831 -12.906 10.575 1.00 0.00 C ATOM 765 NE ARG A 48 18.146 -12.177 11.801 1.00 0.00 N ATOM 766 CZ ARG A 48 18.714 -12.737 12.864 1.00 0.00 C ATOM 767 NH1 ARG A 48 19.028 -14.025 12.850 1.00 0.00 N ATOM 768 NH2 ARG A 48 18.969 -12.007 13.942 1.00 0.00 N ATOM 0 H ARG A 48 13.952 -10.065 9.745 1.00 0.00 H new ATOM 0 HA ARG A 48 14.887 -12.473 8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.109 -10.267 9.280 1.00 0.00 H new ATOM 0 HB3 ARG A 48 16.209 -10.920 10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 48 17.181 -12.557 8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 48 18.188 -11.282 9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 48 17.045 -13.634 10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.708 -13.466 10.250 1.00 0.00 H new ATOM 0 HE ARG A 48 17.918 -11.184 11.844 1.00 0.00 H new ATOM 0 HH11 ARG A 48 18.834 -14.588 12.022 1.00 0.00 H new ATOM 0 HH12 ARG A 48 19.464 -14.453 13.667 1.00 0.00 H new ATOM 0 HH21 ARG A 48 18.729 -11.016 13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 48 19.405 -12.437 14.758 1.00 0.00 H new ATOM 782 N SER A 49 14.319 -12.546 11.918 1.00 0.00 N ATOM 783 CA SER A 49 14.116 -13.441 13.051 1.00 0.00 C ATOM 784 C SER A 49 13.107 -14.533 12.708 1.00 0.00 C ATOM 785 O SER A 49 13.227 -15.669 13.166 1.00 0.00 O ATOM 786 CB SER A 49 13.636 -12.652 14.271 1.00 0.00 C ATOM 787 OG SER A 49 14.699 -11.922 14.857 1.00 0.00 O ATOM 0 H SER A 49 14.186 -11.558 12.132 1.00 0.00 H new ATOM 0 HA SER A 49 15.070 -13.913 13.285 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.841 -11.968 13.975 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.212 -13.336 15.006 1.00 0.00 H new ATOM 0 HG SER A 49 14.366 -11.425 15.633 1.00 0.00 H new ATOM 793 N GLU A 50 12.114 -14.179 11.899 1.00 0.00 N ATOM 794 CA GLU A 50 11.083 -15.128 11.495 1.00 0.00 C ATOM 795 C GLU A 50 11.584 -16.028 10.370 1.00 0.00 C ATOM 796 O GLU A 50 11.433 -17.250 10.422 1.00 0.00 O ATOM 797 CB GLU A 50 9.822 -14.386 11.046 1.00 0.00 C ATOM 798 CG GLU A 50 8.539 -15.159 11.298 1.00 0.00 C ATOM 799 CD GLU A 50 7.457 -14.839 10.285 1.00 0.00 C ATOM 800 OE1 GLU A 50 6.860 -13.746 10.380 1.00 0.00 O ATOM 801 OE2 GLU A 50 7.207 -15.682 9.398 1.00 0.00 O ATOM 0 H GLU A 50 12.001 -13.243 11.510 1.00 0.00 H new ATOM 0 HA GLU A 50 10.841 -15.751 12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.768 -13.430 11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.900 -14.165 9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.752 -16.228 11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.173 -14.932 12.299 1.00 0.00 H new ATOM 808 N LEU A 51 12.181 -15.417 9.352 1.00 0.00 N ATOM 809 CA LEU A 51 12.704 -16.162 8.212 1.00 0.00 C ATOM 810 C LEU A 51 13.676 -15.309 7.404 1.00 0.00 C ATOM 811 O LEU A 51 13.287 -14.367 6.713 1.00 0.00 O ATOM 812 CB LEU A 51 11.558 -16.636 7.318 1.00 0.00 C ATOM 813 CG LEU A 51 11.964 -17.346 6.026 1.00 0.00 C ATOM 814 CD1 LEU A 51 12.096 -18.843 6.258 1.00 0.00 C ATOM 815 CD2 LEU A 51 10.956 -17.063 4.922 1.00 0.00 C ATOM 0 H LEU A 51 12.315 -14.408 9.293 1.00 0.00 H new ATOM 0 HA LEU A 51 13.242 -17.030 8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.927 -17.311 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.946 -15.772 7.058 1.00 0.00 H new ATOM 0 HG LEU A 51 12.934 -16.961 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.385 -19.331 5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.856 -19.028 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.141 -19.244 6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.261 -17.576 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.972 -17.420 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.911 -15.990 4.737 1.00 0.00 H new ATOM 827 N PRO A 52 14.972 -15.646 7.489 1.00 0.00 N ATOM 828 CA PRO A 52 16.026 -14.925 6.770 1.00 0.00 C ATOM 829 C PRO A 52 15.963 -15.157 5.264 1.00 0.00 C ATOM 830 O PRO A 52 16.353 -14.294 4.477 1.00 0.00 O ATOM 831 CB PRO A 52 17.316 -15.513 7.348 1.00 0.00 C ATOM 832 CG PRO A 52 16.932 -16.870 7.827 1.00 0.00 C ATOM 833 CD PRO A 52 15.507 -16.757 8.293 1.00 0.00 C ATOM 0 HA PRO A 52 15.940 -13.846 6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 52 18.100 -15.567 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.700 -14.900 8.163 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.024 -17.606 7.028 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.583 -17.196 8.638 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.954 -17.680 8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.449 -16.545 9.361 1.00 0.00 H new ATOM 841 N ASP A 53 15.471 -16.326 4.870 1.00 0.00 N ATOM 842 CA ASP A 53 15.356 -16.671 3.458 1.00 0.00 C ATOM 843 C ASP A 53 14.369 -15.746 2.752 1.00 0.00 C ATOM 844 O ASP A 53 14.268 -15.750 1.524 1.00 0.00 O ATOM 845 CB ASP A 53 14.912 -18.126 3.300 1.00 0.00 C ATOM 846 CG ASP A 53 15.962 -19.107 3.785 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.748 -18.738 4.683 1.00 0.00 O ATOM 848 OD2 ASP A 53 15.998 -20.242 3.266 1.00 0.00 O ATOM 0 H ASP A 53 15.145 -17.051 5.509 1.00 0.00 H new ATOM 0 HA ASP A 53 16.337 -16.547 2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.988 -18.283 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.691 -18.324 2.251 1.00 0.00 H new ATOM 853 N TYR A 54 13.643 -14.956 3.534 1.00 0.00 N ATOM 854 CA TYR A 54 12.661 -14.028 2.984 1.00 0.00 C ATOM 855 C TYR A 54 13.344 -12.789 2.411 1.00 0.00 C ATOM 856 O TYR A 54 13.245 -12.509 1.217 1.00 0.00 O ATOM 857 CB TYR A 54 11.656 -13.618 4.062 1.00 0.00 C ATOM 858 CG TYR A 54 10.541 -12.737 3.546 1.00 0.00 C ATOM 859 CD1 TYR A 54 9.384 -13.289 3.011 1.00 0.00 C ATOM 860 CD2 TYR A 54 10.645 -11.352 3.594 1.00 0.00 C ATOM 861 CE1 TYR A 54 8.363 -12.487 2.538 1.00 0.00 C ATOM 862 CE2 TYR A 54 9.628 -10.543 3.125 1.00 0.00 C ATOM 863 CZ TYR A 54 8.490 -11.115 2.597 1.00 0.00 C ATOM 864 OH TYR A 54 7.474 -10.313 2.128 1.00 0.00 O ATOM 0 H TYR A 54 13.715 -14.939 4.551 1.00 0.00 H new ATOM 0 HA TYR A 54 12.131 -14.535 2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.224 -14.516 4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.184 -13.093 4.858 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.281 -14.363 2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.536 -10.900 4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.470 -12.932 2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.724 -9.468 3.172 1.00 0.00 H new ATOM 0 HH TYR A 54 7.721 -9.372 2.243 1.00 0.00 H new ATOM 874 N TYR A 55 14.036 -12.052 3.273 1.00 0.00 N ATOM 875 CA TYR A 55 14.734 -10.842 2.855 1.00 0.00 C ATOM 876 C TYR A 55 15.730 -11.146 1.740 1.00 0.00 C ATOM 877 O TYR A 55 15.849 -10.390 0.774 1.00 0.00 O ATOM 878 CB TYR A 55 15.459 -10.210 4.044 1.00 0.00 C ATOM 879 CG TYR A 55 14.592 -9.273 4.853 1.00 0.00 C ATOM 880 CD1 TYR A 55 13.999 -8.162 4.266 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.365 -9.498 6.205 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.206 -7.302 5.001 1.00 0.00 C ATOM 883 CE2 TYR A 55 13.573 -8.644 6.949 1.00 0.00 C ATOM 884 CZ TYR A 55 12.996 -7.548 6.342 1.00 0.00 C ATOM 885 OH TYR A 55 12.207 -6.695 7.079 1.00 0.00 O ATOM 0 H TYR A 55 14.128 -12.271 4.265 1.00 0.00 H new ATOM 0 HA TYR A 55 13.994 -10.139 2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.830 -11.002 4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.329 -9.663 3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.161 -7.967 3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 55 14.815 -10.355 6.683 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.753 -6.443 4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.407 -8.834 7.999 1.00 0.00 H new ATOM 0 HH TYR A 55 12.160 -7.011 8.005 1.00 0.00 H new ATOM 895 N LEU A 56 16.444 -12.257 1.880 1.00 0.00 N ATOM 896 CA LEU A 56 17.431 -12.663 0.885 1.00 0.00 C ATOM 897 C LEU A 56 16.804 -12.740 -0.504 1.00 0.00 C ATOM 898 O LEU A 56 17.135 -11.952 -1.391 1.00 0.00 O ATOM 899 CB LEU A 56 18.035 -14.018 1.260 1.00 0.00 C ATOM 900 CG LEU A 56 19.187 -13.984 2.265 1.00 0.00 C ATOM 901 CD1 LEU A 56 19.508 -15.387 2.756 1.00 0.00 C ATOM 902 CD2 LEU A 56 20.418 -13.340 1.642 1.00 0.00 C ATOM 0 H LEU A 56 16.358 -12.893 2.673 1.00 0.00 H new ATOM 0 HA LEU A 56 18.221 -11.913 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.243 -14.646 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.388 -14.501 0.349 1.00 0.00 H new ATOM 0 HG LEU A 56 18.880 -13.383 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.330 -15.343 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.629 -15.813 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.795 -16.012 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.228 -13.324 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.727 -13.915 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.181 -12.320 1.340 1.00 0.00 H new ATOM 914 N THR A 57 15.896 -13.694 -0.686 1.00 0.00 N ATOM 915 CA THR A 57 15.222 -13.873 -1.965 1.00 0.00 C ATOM 916 C THR A 57 14.561 -12.579 -2.425 1.00 0.00 C ATOM 917 O THR A 57 15.039 -11.920 -3.349 1.00 0.00 O ATOM 918 CB THR A 57 14.156 -14.982 -1.888 1.00 0.00 C ATOM 919 OG1 THR A 57 14.757 -16.211 -1.467 1.00 0.00 O ATOM 920 CG2 THR A 57 13.480 -15.177 -3.237 1.00 0.00 C ATOM 0 H THR A 57 15.611 -14.355 0.037 1.00 0.00 H new ATOM 0 HA THR A 57 15.986 -14.163 -2.686 1.00 0.00 H new ATOM 0 HB THR A 57 13.401 -14.680 -1.162 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.713 -16.279 -0.490 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.731 -15.965 -3.158 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.998 -14.248 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.226 -15.458 -3.980 1.00 0.00 H new ATOM 928 N ILE A 58 13.460 -12.219 -1.774 1.00 0.00 N ATOM 929 CA ILE A 58 12.734 -11.002 -2.115 1.00 0.00 C ATOM 930 C ILE A 58 13.693 -9.845 -2.375 1.00 0.00 C ATOM 931 O ILE A 58 14.612 -9.598 -1.593 1.00 0.00 O ATOM 932 CB ILE A 58 11.753 -10.600 -0.998 1.00 0.00 C ATOM 933 CG1 ILE A 58 10.744 -11.722 -0.748 1.00 0.00 C ATOM 934 CG2 ILE A 58 11.037 -9.308 -1.363 1.00 0.00 C ATOM 935 CD1 ILE A 58 10.092 -12.242 -2.010 1.00 0.00 C ATOM 0 H ILE A 58 13.051 -12.753 -1.007 1.00 0.00 H new ATOM 0 HA ILE A 58 12.170 -11.215 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 58 12.317 -10.434 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.248 -12.546 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.970 -11.359 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.347 -9.036 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.769 -8.512 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.481 -9.449 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.389 -13.035 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.560 -11.430 -2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.857 -12.636 -2.679 1.00 0.00 H new ATOM 947 N LYS A 59 13.473 -9.137 -3.477 1.00 0.00 N ATOM 948 CA LYS A 59 14.315 -8.003 -3.840 1.00 0.00 C ATOM 949 C LYS A 59 13.875 -6.742 -3.104 1.00 0.00 C ATOM 950 O LYS A 59 14.690 -6.056 -2.486 1.00 0.00 O ATOM 951 CB LYS A 59 14.265 -7.768 -5.352 1.00 0.00 C ATOM 952 CG LYS A 59 15.030 -8.805 -6.154 1.00 0.00 C ATOM 953 CD LYS A 59 14.167 -10.018 -6.464 1.00 0.00 C ATOM 954 CE LYS A 59 13.313 -9.792 -7.702 1.00 0.00 C ATOM 955 NZ LYS A 59 14.074 -10.051 -8.956 1.00 0.00 N ATOM 0 H LYS A 59 12.718 -9.329 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 59 15.339 -8.234 -3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.224 -7.765 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.670 -6.780 -5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.381 -8.360 -7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.913 -9.118 -5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.803 -10.890 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.524 -10.236 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.441 -10.444 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.944 -8.766 -7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.457 -9.886 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.892 -9.411 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.405 -11.037 -8.964 1.00 0.00 H new ATOM 969 N LYS A 60 12.583 -6.442 -3.172 1.00 0.00 N ATOM 970 CA LYS A 60 12.034 -5.265 -2.509 1.00 0.00 C ATOM 971 C LYS A 60 10.822 -5.634 -1.659 1.00 0.00 C ATOM 972 O LYS A 60 9.688 -5.677 -2.136 1.00 0.00 O ATOM 973 CB LYS A 60 11.641 -4.209 -3.545 1.00 0.00 C ATOM 974 CG LYS A 60 11.752 -2.783 -3.032 1.00 0.00 C ATOM 975 CD LYS A 60 10.530 -2.385 -2.221 1.00 0.00 C ATOM 976 CE LYS A 60 10.700 -1.009 -1.596 1.00 0.00 C ATOM 977 NZ LYS A 60 9.566 -0.666 -0.694 1.00 0.00 N ATOM 0 H LYS A 60 11.895 -6.998 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 60 12.803 -4.856 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.276 -4.321 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.616 -4.392 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.646 -2.686 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.869 -2.101 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.649 -2.388 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.356 -3.123 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.633 -0.978 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.777 -0.259 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.929 0.000 -1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.042 -1.531 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.934 -0.227 0.174 1.00 0.00 H new ATOM 991 N PRO A 61 11.065 -5.907 -0.368 1.00 0.00 N ATOM 992 CA PRO A 61 10.006 -6.276 0.576 1.00 0.00 C ATOM 993 C PRO A 61 9.082 -5.106 0.895 1.00 0.00 C ATOM 994 O PRO A 61 9.471 -4.167 1.589 1.00 0.00 O ATOM 995 CB PRO A 61 10.778 -6.704 1.826 1.00 0.00 C ATOM 996 CG PRO A 61 12.077 -5.980 1.735 1.00 0.00 C ATOM 997 CD PRO A 61 12.392 -5.876 0.269 1.00 0.00 C ATOM 0 HA PRO A 61 9.354 -7.052 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.239 -6.437 2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.927 -7.784 1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.006 -4.992 2.190 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.862 -6.519 2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.928 -4.955 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.018 -6.702 -0.067 1.00 0.00 H new ATOM 1005 N MET A 62 7.856 -5.170 0.386 1.00 0.00 N ATOM 1006 CA MET A 62 6.876 -4.115 0.619 1.00 0.00 C ATOM 1007 C MET A 62 5.823 -4.566 1.626 1.00 0.00 C ATOM 1008 O MET A 62 5.138 -5.567 1.417 1.00 0.00 O ATOM 1009 CB MET A 62 6.203 -3.715 -0.695 1.00 0.00 C ATOM 1010 CG MET A 62 4.818 -3.117 -0.511 1.00 0.00 C ATOM 1011 SD MET A 62 4.847 -1.563 0.402 1.00 0.00 S ATOM 1012 CE MET A 62 5.673 -0.494 -0.774 1.00 0.00 C ATOM 0 H MET A 62 7.517 -5.941 -0.190 1.00 0.00 H new ATOM 0 HA MET A 62 7.399 -3.251 1.028 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.835 -2.994 -1.213 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.129 -4.592 -1.337 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.366 -2.951 -1.489 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.185 -3.831 0.016 1.00 0.00 H new ATOM 0 HE1 MET A 62 5.564 0.544 -0.461 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.732 -0.750 -0.818 1.00 0.00 H new ATOM 0 HE3 MET A 62 5.227 -0.625 -1.760 1.00 0.00 H new ATOM 1022 N ASP A 63 5.698 -3.820 2.719 1.00 0.00 N ATOM 1023 CA ASP A 63 4.728 -4.143 3.758 1.00 0.00 C ATOM 1024 C ASP A 63 3.722 -3.009 3.933 1.00 0.00 C ATOM 1025 O ASP A 63 3.954 -1.886 3.487 1.00 0.00 O ATOM 1026 CB ASP A 63 5.440 -4.418 5.084 1.00 0.00 C ATOM 1027 CG ASP A 63 4.624 -5.301 6.007 1.00 0.00 C ATOM 1028 OD1 ASP A 63 3.983 -6.249 5.508 1.00 0.00 O ATOM 1029 OD2 ASP A 63 4.628 -5.044 7.229 1.00 0.00 O ATOM 0 H ASP A 63 6.257 -2.988 2.908 1.00 0.00 H new ATOM 0 HA ASP A 63 4.189 -5.040 3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.400 -4.894 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.650 -3.472 5.583 1.00 0.00 H new ATOM 1034 N MET A 64 2.604 -3.312 4.584 1.00 0.00 N ATOM 1035 CA MET A 64 1.562 -2.318 4.818 1.00 0.00 C ATOM 1036 C MET A 64 1.945 -1.390 5.966 1.00 0.00 C ATOM 1037 O MET A 64 1.263 -0.399 6.228 1.00 0.00 O ATOM 1038 CB MET A 64 0.231 -3.006 5.124 1.00 0.00 C ATOM 1039 CG MET A 64 -0.598 -3.306 3.886 1.00 0.00 C ATOM 1040 SD MET A 64 -1.886 -4.530 4.191 1.00 0.00 S ATOM 1041 CE MET A 64 -3.221 -3.481 4.762 1.00 0.00 C ATOM 0 H MET A 64 2.396 -4.237 4.959 1.00 0.00 H new ATOM 0 HA MET A 64 1.453 -1.721 3.913 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.427 -3.938 5.654 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.350 -2.373 5.795 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.056 -2.384 3.528 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.058 -3.665 3.093 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.055 -4.101 5.093 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.872 -2.868 5.593 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.550 -2.835 3.948 1.00 0.00 H new ATOM 1051 N GLU A 65 3.038 -1.717 6.647 1.00 0.00 N ATOM 1052 CA GLU A 65 3.509 -0.912 7.768 1.00 0.00 C ATOM 1053 C GLU A 65 4.333 0.275 7.277 1.00 0.00 C ATOM 1054 O GLU A 65 4.122 1.411 7.702 1.00 0.00 O ATOM 1055 CB GLU A 65 4.345 -1.766 8.723 1.00 0.00 C ATOM 1056 CG GLU A 65 3.523 -2.758 9.529 1.00 0.00 C ATOM 1057 CD GLU A 65 2.595 -2.079 10.518 1.00 0.00 C ATOM 1058 OE1 GLU A 65 3.087 -1.274 11.336 1.00 0.00 O ATOM 1059 OE2 GLU A 65 1.377 -2.353 10.473 1.00 0.00 O ATOM 0 H GLU A 65 3.614 -2.533 6.442 1.00 0.00 H new ATOM 0 HA GLU A 65 2.637 -0.532 8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.095 -2.310 8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.882 -1.110 9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.935 -3.374 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.194 -3.428 10.067 1.00 0.00 H new ATOM 1066 N LYS A 66 5.274 0.003 6.378 1.00 0.00 N ATOM 1067 CA LYS A 66 6.131 1.047 5.827 1.00 0.00 C ATOM 1068 C LYS A 66 5.298 2.201 5.279 1.00 0.00 C ATOM 1069 O LYS A 66 5.736 3.352 5.284 1.00 0.00 O ATOM 1070 CB LYS A 66 7.019 0.474 4.721 1.00 0.00 C ATOM 1071 CG LYS A 66 6.288 0.254 3.407 1.00 0.00 C ATOM 1072 CD LYS A 66 7.242 0.294 2.225 1.00 0.00 C ATOM 1073 CE LYS A 66 7.818 1.686 2.021 1.00 0.00 C ATOM 1074 NZ LYS A 66 8.426 1.843 0.670 1.00 0.00 N ATOM 0 H LYS A 66 5.462 -0.932 6.016 1.00 0.00 H new ATOM 0 HA LYS A 66 6.762 1.427 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.857 1.150 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.438 -0.474 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.777 -0.708 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.522 1.019 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.053 -0.416 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.718 -0.020 1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.030 2.428 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.572 1.882 2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.344 2.834 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.430 1.574 0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.929 1.230 -0.008 1.00 0.00 H new ATOM 1088 N ILE A 67 4.095 1.887 4.810 1.00 0.00 N ATOM 1089 CA ILE A 67 3.201 2.899 4.261 1.00 0.00 C ATOM 1090 C ILE A 67 2.660 3.808 5.359 1.00 0.00 C ATOM 1091 O ILE A 67 2.955 5.002 5.392 1.00 0.00 O ATOM 1092 CB ILE A 67 2.018 2.258 3.511 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.482 1.701 2.163 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.903 3.274 3.315 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.929 0.258 2.228 1.00 0.00 C ATOM 0 H ILE A 67 3.717 0.940 4.799 1.00 0.00 H new ATOM 0 HA ILE A 67 3.788 3.491 3.559 1.00 0.00 H new ATOM 0 HB ILE A 67 1.631 1.433 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.668 1.789 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.305 2.311 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.074 2.806 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.558 3.628 4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.277 4.117 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.244 -0.070 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.764 0.167 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.102 -0.364 2.570 1.00 0.00 H new ATOM 1107 N ARG A 68 1.868 3.233 6.258 1.00 0.00 N ATOM 1108 CA ARG A 68 1.286 3.991 7.359 1.00 0.00 C ATOM 1109 C ARG A 68 2.353 4.808 8.081 1.00 0.00 C ATOM 1110 O ARG A 68 2.112 5.947 8.481 1.00 0.00 O ATOM 1111 CB ARG A 68 0.596 3.048 8.347 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.134 3.769 9.469 1.00 0.00 C ATOM 1113 CD ARG A 68 0.775 4.001 10.666 1.00 0.00 C ATOM 1114 NE ARG A 68 0.767 2.868 11.587 1.00 0.00 N ATOM 1115 CZ ARG A 68 1.600 2.750 12.614 1.00 0.00 C ATOM 1116 NH1 ARG A 68 2.503 3.692 12.851 1.00 0.00 N ATOM 1117 NH2 ARG A 68 1.531 1.689 13.408 1.00 0.00 N ATOM 0 H ARG A 68 1.615 2.245 6.246 1.00 0.00 H new ATOM 0 HA ARG A 68 0.547 4.676 6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.114 2.424 7.805 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.341 2.380 8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.509 4.725 9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.000 3.183 9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.793 4.179 10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.457 4.900 11.194 1.00 0.00 H new ATOM 0 HE ARG A 68 0.084 2.126 11.433 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.559 4.510 12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.142 3.599 13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.837 0.963 13.230 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.172 1.600 14.197 1.00 0.00 H new ATOM 1131 N SER A 69 3.533 4.219 8.244 1.00 0.00 N ATOM 1132 CA SER A 69 4.636 4.890 8.921 1.00 0.00 C ATOM 1133 C SER A 69 5.019 6.176 8.193 1.00 0.00 C ATOM 1134 O SER A 69 5.246 7.212 8.818 1.00 0.00 O ATOM 1135 CB SER A 69 5.849 3.961 9.011 1.00 0.00 C ATOM 1136 OG SER A 69 5.721 3.060 10.097 1.00 0.00 O ATOM 0 H SER A 69 3.750 3.278 7.916 1.00 0.00 H new ATOM 0 HA SER A 69 4.309 5.147 9.928 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.953 3.402 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.756 4.553 9.130 1.00 0.00 H new ATOM 0 HG SER A 69 6.507 2.476 10.132 1.00 0.00 H new ATOM 1142 N HIS A 70 5.088 6.099 6.868 1.00 0.00 N ATOM 1143 CA HIS A 70 5.442 7.256 6.053 1.00 0.00 C ATOM 1144 C HIS A 70 4.243 8.181 5.872 1.00 0.00 C ATOM 1145 O HIS A 70 4.400 9.380 5.644 1.00 0.00 O ATOM 1146 CB HIS A 70 5.965 6.805 4.689 1.00 0.00 C ATOM 1147 CG HIS A 70 7.439 6.542 4.669 1.00 0.00 C ATOM 1148 ND1 HIS A 70 8.126 6.197 3.524 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.358 6.577 5.662 1.00 0.00 C ATOM 1150 CE1 HIS A 70 9.404 6.030 3.815 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.571 6.254 5.106 1.00 0.00 N ATOM 0 H HIS A 70 4.904 5.248 6.336 1.00 0.00 H new ATOM 0 HA HIS A 70 6.228 7.807 6.570 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.439 5.899 4.389 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.731 7.570 3.948 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.172 6.815 6.699 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.180 5.757 3.116 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.457 6.196 5.608 1.00 0.00 H new ATOM 1160 N MET A 71 3.045 7.615 5.973 1.00 0.00 N ATOM 1161 CA MET A 71 1.818 8.389 5.820 1.00 0.00 C ATOM 1162 C MET A 71 1.773 9.539 6.821 1.00 0.00 C ATOM 1163 O MET A 71 1.582 10.695 6.445 1.00 0.00 O ATOM 1164 CB MET A 71 0.595 7.489 6.003 1.00 0.00 C ATOM 1165 CG MET A 71 0.238 6.688 4.762 1.00 0.00 C ATOM 1166 SD MET A 71 -1.520 6.300 4.667 1.00 0.00 S ATOM 1167 CE MET A 71 -1.820 5.683 6.322 1.00 0.00 C ATOM 0 H MET A 71 2.897 6.623 6.160 1.00 0.00 H new ATOM 0 HA MET A 71 1.804 8.806 4.813 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.781 6.801 6.828 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.259 8.104 6.286 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.530 7.250 3.875 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.811 5.761 4.755 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.888 5.518 6.461 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.286 4.743 6.462 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.468 6.412 7.052 1.00 0.00 H new ATOM 1177 N MET A 72 1.949 9.213 8.098 1.00 0.00 N ATOM 1178 CA MET A 72 1.929 10.220 9.153 1.00 0.00 C ATOM 1179 C MET A 72 3.201 11.062 9.125 1.00 0.00 C ATOM 1180 O MET A 72 3.398 11.932 9.972 1.00 0.00 O ATOM 1181 CB MET A 72 1.775 9.553 10.521 1.00 0.00 C ATOM 1182 CG MET A 72 0.710 8.468 10.551 1.00 0.00 C ATOM 1183 SD MET A 72 -0.925 9.111 10.958 1.00 0.00 S ATOM 1184 CE MET A 72 -1.784 8.858 9.407 1.00 0.00 C ATOM 0 H MET A 72 2.107 8.260 8.427 1.00 0.00 H new ATOM 0 HA MET A 72 1.076 10.876 8.979 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.731 9.120 10.815 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.528 10.314 11.261 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.671 7.976 9.579 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.990 7.709 11.282 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.812 9.208 9.499 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.281 9.416 8.617 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.783 7.797 9.159 1.00 0.00 H new ATOM 1194 N ALA A 73 4.060 10.796 8.146 1.00 0.00 N ATOM 1195 CA ALA A 73 5.311 11.531 8.008 1.00 0.00 C ATOM 1196 C ALA A 73 5.205 12.596 6.921 1.00 0.00 C ATOM 1197 O ALA A 73 6.153 13.339 6.674 1.00 0.00 O ATOM 1198 CB ALA A 73 6.454 10.574 7.703 1.00 0.00 C ATOM 0 H ALA A 73 3.912 10.077 7.437 1.00 0.00 H new ATOM 0 HA ALA A 73 5.515 12.034 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.382 11.136 7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.552 9.854 8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.247 10.045 6.772 1.00 0.00 H new ATOM 1204 N ASN A 74 4.046 12.662 6.275 1.00 0.00 N ATOM 1205 CA ASN A 74 3.817 13.636 5.213 1.00 0.00 C ATOM 1206 C ASN A 74 4.942 13.592 4.184 1.00 0.00 C ATOM 1207 O ASN A 74 5.411 14.630 3.716 1.00 0.00 O ATOM 1208 CB ASN A 74 3.701 15.044 5.800 1.00 0.00 C ATOM 1209 CG ASN A 74 2.907 15.978 4.909 1.00 0.00 C ATOM 1210 OD1 ASN A 74 1.956 15.563 4.246 1.00 0.00 O ATOM 1211 ND2 ASN A 74 3.295 17.248 4.888 1.00 0.00 N ATOM 0 H ASN A 74 3.251 12.053 6.468 1.00 0.00 H new ATOM 0 HA ASN A 74 2.882 13.380 4.714 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.225 14.988 6.779 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.699 15.454 5.954 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.799 17.923 4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.089 17.548 5.454 1.00 0.00 H new ATOM 1218 N LYS A 75 5.372 12.384 3.836 1.00 0.00 N ATOM 1219 CA LYS A 75 6.440 12.203 2.860 1.00 0.00 C ATOM 1220 C LYS A 75 5.870 11.906 1.477 1.00 0.00 C ATOM 1221 O LYS A 75 6.554 12.067 0.466 1.00 0.00 O ATOM 1222 CB LYS A 75 7.369 11.068 3.296 1.00 0.00 C ATOM 1223 CG LYS A 75 8.121 11.356 4.584 1.00 0.00 C ATOM 1224 CD LYS A 75 9.105 10.247 4.916 1.00 0.00 C ATOM 1225 CE LYS A 75 10.297 10.776 5.698 1.00 0.00 C ATOM 1226 NZ LYS A 75 10.029 10.811 7.162 1.00 0.00 N ATOM 0 H LYS A 75 4.997 11.515 4.216 1.00 0.00 H new ATOM 0 HA LYS A 75 7.010 13.131 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.782 10.159 3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.089 10.874 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.655 12.302 4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.411 11.471 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.601 9.474 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.452 9.779 3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.167 10.148 5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.543 11.779 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.931 10.844 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.467 11.655 7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.502 9.958 7.439 1.00 0.00 H new ATOM 1240 N TYR A 76 4.615 11.473 1.440 1.00 0.00 N ATOM 1241 CA TYR A 76 3.954 11.152 0.181 1.00 0.00 C ATOM 1242 C TYR A 76 3.556 12.423 -0.564 1.00 0.00 C ATOM 1243 O TYR A 76 3.377 13.479 0.041 1.00 0.00 O ATOM 1244 CB TYR A 76 2.718 10.289 0.435 1.00 0.00 C ATOM 1245 CG TYR A 76 1.762 10.882 1.445 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.111 12.084 1.193 1.00 0.00 C ATOM 1247 CD2 TYR A 76 1.509 10.241 2.652 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.238 12.630 2.113 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.636 10.779 3.577 1.00 0.00 C ATOM 1250 CZ TYR A 76 0.003 11.974 3.304 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.867 12.514 4.223 1.00 0.00 O ATOM 0 H TYR A 76 4.035 11.336 2.268 1.00 0.00 H new ATOM 0 HA TYR A 76 4.657 10.594 -0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.191 10.139 -0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.037 9.306 0.782 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.291 12.600 0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.004 9.306 2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.258 13.566 1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.450 10.267 4.509 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.921 11.927 5.006 1.00 0.00 H new ATOM 1261 N GLN A 77 3.420 12.310 -1.882 1.00 0.00 N ATOM 1262 CA GLN A 77 3.043 13.449 -2.710 1.00 0.00 C ATOM 1263 C GLN A 77 1.565 13.389 -3.079 1.00 0.00 C ATOM 1264 O GLN A 77 0.874 14.408 -3.081 1.00 0.00 O ATOM 1265 CB GLN A 77 3.897 13.488 -3.979 1.00 0.00 C ATOM 1266 CG GLN A 77 3.635 14.705 -4.851 1.00 0.00 C ATOM 1267 CD GLN A 77 4.187 15.983 -4.250 1.00 0.00 C ATOM 1268 OE1 GLN A 77 3.435 16.885 -3.882 1.00 0.00 O ATOM 1269 NE2 GLN A 77 5.509 16.067 -4.148 1.00 0.00 N ATOM 0 H GLN A 77 3.565 11.442 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 77 3.218 14.358 -2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.950 13.472 -3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.708 12.586 -4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.082 14.547 -5.833 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.561 14.814 -5.003 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.095 15.295 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.938 16.903 -3.752 1.00 0.00 H new ATOM 1278 N ASP A 78 1.086 12.190 -3.391 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.311 11.996 -3.761 1.00 0.00 C ATOM 1280 C ASP A 78 -0.724 10.539 -3.579 1.00 0.00 C ATOM 1281 O ASP A 78 0.106 9.681 -3.280 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.541 12.428 -5.210 1.00 0.00 C ATOM 1283 CG ASP A 78 0.259 13.661 -5.581 1.00 0.00 C ATOM 1284 OD1 ASP A 78 -0.167 14.777 -5.217 1.00 0.00 O ATOM 1285 OD2 ASP A 78 1.312 13.510 -6.235 1.00 0.00 O ATOM 0 H ASP A 78 1.645 11.337 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.925 12.613 -3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.271 11.609 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.602 12.627 -5.363 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.013 10.268 -3.761 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.536 8.915 -3.617 1.00 0.00 C ATOM 1292 C ILE A 79 -1.669 7.908 -4.365 1.00 0.00 C ATOM 1293 O ILE A 79 -1.519 6.764 -3.937 1.00 0.00 O ATOM 1294 CB ILE A 79 -3.983 8.814 -4.133 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -4.881 9.809 -3.397 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.507 7.395 -3.966 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.123 9.449 -1.948 1.00 0.00 C ATOM 0 H ILE A 79 -2.713 10.967 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.522 8.682 -2.552 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.992 9.062 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.428 10.799 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.839 9.871 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.531 7.339 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.879 6.706 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.486 7.121 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.768 10.199 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.604 8.473 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.171 9.416 -1.418 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.098 8.343 -5.483 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.243 7.480 -6.290 1.00 0.00 C ATOM 1311 C ASP A 80 0.909 6.925 -5.459 1.00 0.00 C ATOM 1312 O ASP A 80 1.318 5.778 -5.634 1.00 0.00 O ATOM 1313 CB ASP A 80 0.304 8.250 -7.493 1.00 0.00 C ATOM 1314 CG ASP A 80 -0.797 8.814 -8.369 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -1.415 8.032 -9.121 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -1.040 10.038 -8.304 1.00 0.00 O ATOM 0 H ASP A 80 -1.212 9.288 -5.851 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.845 6.644 -6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.938 9.064 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.935 7.589 -8.088 1.00 0.00 H new ATOM 1321 N SER A 81 1.429 7.749 -4.554 1.00 0.00 N ATOM 1322 CA SER A 81 2.538 7.342 -3.698 1.00 0.00 C ATOM 1323 C SER A 81 2.162 6.119 -2.867 1.00 0.00 C ATOM 1324 O SER A 81 2.997 5.255 -2.602 1.00 0.00 O ATOM 1325 CB SER A 81 2.947 8.493 -2.777 1.00 0.00 C ATOM 1326 OG SER A 81 3.866 9.359 -3.420 1.00 0.00 O ATOM 0 H SER A 81 1.100 8.701 -4.395 1.00 0.00 H new ATOM 0 HA SER A 81 3.381 7.080 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.062 9.055 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.395 8.093 -1.867 1.00 0.00 H new ATOM 0 HG SER A 81 4.554 9.638 -2.781 1.00 0.00 H new ATOM 1332 N MET A 82 0.899 6.055 -2.458 1.00 0.00 N ATOM 1333 CA MET A 82 0.412 4.938 -1.657 1.00 0.00 C ATOM 1334 C MET A 82 -0.025 3.780 -2.549 1.00 0.00 C ATOM 1335 O MET A 82 0.231 2.615 -2.241 1.00 0.00 O ATOM 1336 CB MET A 82 -0.755 5.385 -0.775 1.00 0.00 C ATOM 1337 CG MET A 82 -1.126 4.377 0.300 1.00 0.00 C ATOM 1338 SD MET A 82 -2.366 3.193 -0.256 1.00 0.00 S ATOM 1339 CE MET A 82 -3.874 4.103 0.070 1.00 0.00 C ATOM 0 H MET A 82 0.195 6.763 -2.668 1.00 0.00 H new ATOM 0 HA MET A 82 1.229 4.596 -1.021 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.499 6.332 -0.300 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.626 5.569 -1.405 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.231 3.840 0.613 1.00 0.00 H new ATOM 0 HG3 MET A 82 -1.502 4.907 1.175 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.491 3.545 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.627 5.076 0.495 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.423 4.243 -0.861 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.685 4.106 -3.655 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.156 3.093 -4.592 1.00 0.00 C ATOM 1351 C VAL A 83 0.004 2.273 -5.144 1.00 0.00 C ATOM 1352 O VAL A 83 -0.010 1.044 -5.088 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.926 3.728 -5.765 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.329 2.666 -6.776 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.145 4.482 -5.256 1.00 0.00 C ATOM 0 H VAL A 83 -0.906 5.065 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.829 2.438 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.270 4.440 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.872 3.133 -7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.436 2.175 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.968 1.927 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.677 4.924 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.806 3.793 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.827 5.270 -4.574 1.00 0.00 H new ATOM 1365 N GLU A 84 1.008 2.963 -5.677 1.00 0.00 N ATOM 1366 CA GLU A 84 2.177 2.297 -6.240 1.00 0.00 C ATOM 1367 C GLU A 84 2.782 1.320 -5.237 1.00 0.00 C ATOM 1368 O GLU A 84 3.272 0.253 -5.610 1.00 0.00 O ATOM 1369 CB GLU A 84 3.226 3.329 -6.660 1.00 0.00 C ATOM 1370 CG GLU A 84 4.024 3.894 -5.496 1.00 0.00 C ATOM 1371 CD GLU A 84 4.844 5.108 -5.886 1.00 0.00 C ATOM 1372 OE1 GLU A 84 4.406 5.856 -6.785 1.00 0.00 O ATOM 1373 OE2 GLU A 84 5.925 5.310 -5.294 1.00 0.00 O ATOM 0 H GLU A 84 1.035 3.981 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 84 1.857 1.737 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.912 2.869 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.730 4.148 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.342 4.165 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.687 3.122 -5.106 1.00 0.00 H new ATOM 1380 N ASP A 85 2.746 1.691 -3.962 1.00 0.00 N ATOM 1381 CA ASP A 85 3.290 0.848 -2.904 1.00 0.00 C ATOM 1382 C ASP A 85 2.524 -0.469 -2.811 1.00 0.00 C ATOM 1383 O ASP A 85 3.077 -1.539 -3.065 1.00 0.00 O ATOM 1384 CB ASP A 85 3.236 1.579 -1.561 1.00 0.00 C ATOM 1385 CG ASP A 85 4.339 2.609 -1.419 1.00 0.00 C ATOM 1386 OD1 ASP A 85 5.377 2.465 -2.099 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.164 3.560 -0.629 1.00 0.00 O ATOM 0 H ASP A 85 2.345 2.571 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 85 4.329 0.627 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.268 2.070 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.314 0.853 -0.752 1.00 0.00 H new ATOM 1392 N PHE A 86 1.250 -0.382 -2.444 1.00 0.00 N ATOM 1393 CA PHE A 86 0.409 -1.566 -2.315 1.00 0.00 C ATOM 1394 C PHE A 86 0.651 -2.533 -3.471 1.00 0.00 C ATOM 1395 O PHE A 86 0.835 -3.733 -3.263 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.067 -1.167 -2.270 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.579 -0.917 -0.880 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.291 0.270 -0.225 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -2.347 -1.869 -0.229 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -1.760 0.502 1.054 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.818 -1.642 1.051 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.525 -0.455 1.692 1.00 0.00 C ATOM 0 H PHE A 86 0.777 0.496 -2.231 1.00 0.00 H new ATOM 0 HA PHE A 86 0.671 -2.067 -1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.210 -0.267 -2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.662 -1.955 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.694 1.022 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.580 -2.799 -0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.529 1.431 1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.414 -2.392 1.549 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.893 -0.275 2.691 1.00 0.00 H new ATOM 1412 N VAL A 87 0.648 -2.002 -4.689 1.00 0.00 N ATOM 1413 CA VAL A 87 0.868 -2.817 -5.879 1.00 0.00 C ATOM 1414 C VAL A 87 1.943 -3.869 -5.633 1.00 0.00 C ATOM 1415 O VAL A 87 1.651 -5.061 -5.547 1.00 0.00 O ATOM 1416 CB VAL A 87 1.278 -1.951 -7.084 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.588 -2.825 -8.289 1.00 0.00 C ATOM 1418 CG2 VAL A 87 0.186 -0.944 -7.413 1.00 0.00 C ATOM 0 H VAL A 87 0.496 -1.011 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.077 -3.313 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 87 2.182 -1.400 -6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.876 -2.195 -9.131 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.407 -3.503 -8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.704 -3.405 -8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.493 -0.341 -8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.736 -1.473 -7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.017 -0.296 -6.553 1.00 0.00 H new ATOM 1428 N MET A 88 3.189 -3.419 -5.521 1.00 0.00 N ATOM 1429 CA MET A 88 4.309 -4.322 -5.284 1.00 0.00 C ATOM 1430 C MET A 88 3.896 -5.472 -4.370 1.00 0.00 C ATOM 1431 O MET A 88 3.977 -6.639 -4.751 1.00 0.00 O ATOM 1432 CB MET A 88 5.484 -3.561 -4.666 1.00 0.00 C ATOM 1433 CG MET A 88 6.280 -2.751 -5.675 1.00 0.00 C ATOM 1434 SD MET A 88 8.018 -2.589 -5.221 1.00 0.00 S ATOM 1435 CE MET A 88 8.052 -0.908 -4.606 1.00 0.00 C ATOM 0 H MET A 88 3.448 -2.435 -5.591 1.00 0.00 H new ATOM 0 HA MET A 88 4.618 -4.736 -6.243 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.107 -2.893 -3.892 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.150 -4.272 -4.176 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.207 -3.225 -6.654 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.839 -1.759 -5.767 1.00 0.00 H new ATOM 0 HE1 MET A 88 9.070 -0.646 -4.319 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.709 -0.228 -5.386 1.00 0.00 H new ATOM 0 HE3 MET A 88 7.398 -0.825 -3.738 1.00 0.00 H new ATOM 1445 N MET A 89 3.454 -5.133 -3.163 1.00 0.00 N ATOM 1446 CA MET A 89 3.028 -6.138 -2.196 1.00 0.00 C ATOM 1447 C MET A 89 2.304 -7.287 -2.889 1.00 0.00 C ATOM 1448 O MET A 89 2.742 -8.436 -2.831 1.00 0.00 O ATOM 1449 CB MET A 89 2.116 -5.507 -1.141 1.00 0.00 C ATOM 1450 CG MET A 89 1.900 -6.387 0.079 1.00 0.00 C ATOM 1451 SD MET A 89 1.250 -5.470 1.490 1.00 0.00 S ATOM 1452 CE MET A 89 -0.272 -4.824 0.801 1.00 0.00 C ATOM 0 H MET A 89 3.382 -4.171 -2.832 1.00 0.00 H new ATOM 0 HA MET A 89 3.917 -6.535 -1.707 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.545 -4.557 -0.822 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.150 -5.284 -1.594 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.210 -7.192 -0.176 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.845 -6.854 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.141 -3.770 0.554 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.527 -5.379 -0.102 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.075 -4.929 1.531 1.00 0.00 H new ATOM 1462 N PHE A 90 1.192 -6.970 -3.546 1.00 0.00 N ATOM 1463 CA PHE A 90 0.407 -7.977 -4.249 1.00 0.00 C ATOM 1464 C PHE A 90 1.290 -8.807 -5.176 1.00 0.00 C ATOM 1465 O PHE A 90 1.240 -10.036 -5.163 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.712 -7.312 -5.054 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.691 -6.553 -4.205 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -2.296 -7.156 -3.114 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -2.007 -5.236 -4.497 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -3.198 -6.461 -2.331 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.908 -4.535 -3.717 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.503 -5.148 -2.633 1.00 0.00 C ATOM 0 H PHE A 90 0.815 -6.024 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.034 -8.641 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.270 -6.631 -5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.248 -8.076 -5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.060 -8.182 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.544 -4.751 -5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.664 -6.944 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.146 -3.509 -3.956 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.206 -4.602 -2.022 1.00 0.00 H new ATOM 1482 N ASN A 91 2.099 -8.125 -5.980 1.00 0.00 N ATOM 1483 CA ASN A 91 2.994 -8.798 -6.915 1.00 0.00 C ATOM 1484 C ASN A 91 3.853 -9.833 -6.196 1.00 0.00 C ATOM 1485 O ASN A 91 4.017 -10.956 -6.670 1.00 0.00 O ATOM 1486 CB ASN A 91 3.889 -7.777 -7.621 1.00 0.00 C ATOM 1487 CG ASN A 91 3.151 -7.011 -8.703 1.00 0.00 C ATOM 1488 OD1 ASN A 91 1.983 -7.282 -8.983 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.831 -6.050 -9.315 1.00 0.00 N ATOM 0 H ASN A 91 2.153 -7.107 -6.003 1.00 0.00 H new ATOM 0 HA ASN A 91 2.384 -9.311 -7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.283 -7.074 -6.887 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.744 -8.290 -8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.387 -5.501 -10.051 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.797 -5.861 -9.050 1.00 0.00 H new ATOM 1496 N ASN A 92 4.399 -9.446 -5.048 1.00 0.00 N ATOM 1497 CA ASN A 92 5.242 -10.340 -4.262 1.00 0.00 C ATOM 1498 C ASN A 92 4.556 -11.686 -4.049 1.00 0.00 C ATOM 1499 O ASN A 92 4.984 -12.705 -4.591 1.00 0.00 O ATOM 1500 CB ASN A 92 5.575 -9.705 -2.911 1.00 0.00 C ATOM 1501 CG ASN A 92 6.364 -10.638 -2.012 1.00 0.00 C ATOM 1502 OD1 ASN A 92 6.350 -11.855 -2.197 1.00 0.00 O ATOM 1503 ND2 ASN A 92 7.057 -10.069 -1.032 1.00 0.00 N ATOM 0 H ASN A 92 4.273 -8.519 -4.641 1.00 0.00 H new ATOM 0 HA ASN A 92 6.167 -10.507 -4.815 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.147 -8.791 -3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.651 -9.418 -2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.607 -10.645 -0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.039 -9.056 -0.916 1.00 0.00 H new ATOM 1510 N ALA A 93 3.489 -11.682 -3.257 1.00 0.00 N ATOM 1511 CA ALA A 93 2.743 -12.901 -2.974 1.00 0.00 C ATOM 1512 C ALA A 93 2.693 -13.810 -4.197 1.00 0.00 C ATOM 1513 O ALA A 93 2.951 -15.011 -4.101 1.00 0.00 O ATOM 1514 CB ALA A 93 1.334 -12.562 -2.509 1.00 0.00 C ATOM 0 H ALA A 93 3.122 -10.847 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 93 3.259 -13.436 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.788 -13.482 -2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.385 -11.958 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.818 -12.002 -3.289 1.00 0.00 H new ATOM 1520 N CYS A 94 2.360 -13.232 -5.346 1.00 0.00 N ATOM 1521 CA CYS A 94 2.276 -13.991 -6.588 1.00 0.00 C ATOM 1522 C CYS A 94 3.592 -14.703 -6.881 1.00 0.00 C ATOM 1523 O CYS A 94 3.607 -15.877 -7.253 1.00 0.00 O ATOM 1524 CB CYS A 94 1.912 -13.067 -7.751 1.00 0.00 C ATOM 1525 SG CYS A 94 1.827 -13.897 -9.355 1.00 0.00 S ATOM 0 H CYS A 94 2.144 -12.240 -5.443 1.00 0.00 H new ATOM 0 HA CYS A 94 1.495 -14.743 -6.473 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.948 -12.602 -7.543 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.648 -12.265 -7.808 1.00 0.00 H new ATOM 0 HG CYS A 94 1.511 -13.034 -10.274 1.00 0.00 H new ATOM 1531 N THR A 95 4.698 -13.984 -6.713 1.00 0.00 N ATOM 1532 CA THR A 95 6.020 -14.545 -6.962 1.00 0.00 C ATOM 1533 C THR A 95 6.418 -15.522 -5.862 1.00 0.00 C ATOM 1534 O THR A 95 6.515 -16.728 -6.094 1.00 0.00 O ATOM 1535 CB THR A 95 7.089 -13.441 -7.065 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.802 -12.584 -8.175 1.00 0.00 O ATOM 1537 CG2 THR A 95 8.476 -14.044 -7.228 1.00 0.00 C ATOM 0 H THR A 95 4.704 -13.012 -6.405 1.00 0.00 H new ATOM 0 HA THR A 95 5.965 -15.075 -7.913 1.00 0.00 H new ATOM 0 HB THR A 95 7.070 -12.860 -6.143 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.485 -11.884 -8.233 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.214 -13.245 -7.299 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.703 -14.673 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.506 -14.647 -8.135 1.00 0.00 H new ATOM 1545 N TYR A 96 6.648 -14.995 -4.665 1.00 0.00 N ATOM 1546 CA TYR A 96 7.038 -15.821 -3.528 1.00 0.00 C ATOM 1547 C TYR A 96 6.186 -17.084 -3.454 1.00 0.00 C ATOM 1548 O TYR A 96 6.691 -18.197 -3.598 1.00 0.00 O ATOM 1549 CB TYR A 96 6.909 -15.029 -2.226 1.00 0.00 C ATOM 1550 CG TYR A 96 7.550 -15.708 -1.037 1.00 0.00 C ATOM 1551 CD1 TYR A 96 8.909 -15.571 -0.783 1.00 0.00 C ATOM 1552 CD2 TYR A 96 6.796 -16.487 -0.168 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.498 -16.191 0.302 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.377 -17.110 0.920 1.00 0.00 C ATOM 1555 CZ TYR A 96 8.728 -16.959 1.150 1.00 0.00 C ATOM 1556 OH TYR A 96 9.312 -17.577 2.233 1.00 0.00 O ATOM 0 H TYR A 96 6.571 -14.000 -4.456 1.00 0.00 H new ATOM 0 HA TYR A 96 8.079 -16.114 -3.665 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.363 -14.047 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.853 -14.865 -2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.515 -14.970 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.738 -16.608 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.556 -16.075 0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.776 -17.712 1.586 1.00 0.00 H new ATOM 0 HH TYR A 96 8.632 -18.078 2.730 1.00 0.00 H new ATOM 1566 N ASN A 97 4.888 -16.902 -3.230 1.00 0.00 N ATOM 1567 CA ASN A 97 3.964 -18.026 -3.137 1.00 0.00 C ATOM 1568 C ASN A 97 3.354 -18.343 -4.499 1.00 0.00 C ATOM 1569 O ASN A 97 3.303 -17.487 -5.381 1.00 0.00 O ATOM 1570 CB ASN A 97 2.855 -17.719 -2.128 1.00 0.00 C ATOM 1571 CG ASN A 97 3.396 -17.453 -0.737 1.00 0.00 C ATOM 1572 OD1 ASN A 97 3.729 -18.381 0.000 1.00 0.00 O ATOM 1573 ND2 ASN A 97 3.487 -16.179 -0.371 1.00 0.00 N ATOM 0 H ASN A 97 4.453 -15.987 -3.110 1.00 0.00 H new ATOM 0 HA ASN A 97 4.524 -18.897 -2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.289 -16.851 -2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.160 -18.558 -2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.845 -15.938 0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.199 -15.442 -1.015 1.00 0.00 H new ATOM 1580 N GLU A 98 2.892 -19.579 -4.661 1.00 0.00 N ATOM 1581 CA GLU A 98 2.286 -20.009 -5.916 1.00 0.00 C ATOM 1582 C GLU A 98 0.920 -19.358 -6.111 1.00 0.00 C ATOM 1583 O GLU A 98 0.206 -19.055 -5.154 1.00 0.00 O ATOM 1584 CB GLU A 98 2.147 -21.532 -5.946 1.00 0.00 C ATOM 1585 CG GLU A 98 3.450 -22.267 -5.681 1.00 0.00 C ATOM 1586 CD GLU A 98 4.334 -22.351 -6.910 1.00 0.00 C ATOM 1587 OE1 GLU A 98 4.845 -21.299 -7.347 1.00 0.00 O ATOM 1588 OE2 GLU A 98 4.514 -23.470 -7.435 1.00 0.00 O ATOM 0 H GLU A 98 2.926 -20.299 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 98 2.938 -19.696 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.410 -21.836 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.761 -21.834 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.992 -21.761 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.229 -23.274 -5.328 1.00 0.00 H new ATOM 1595 N PRO A 99 0.545 -19.138 -7.380 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.738 -18.521 -7.731 1.00 0.00 C ATOM 1597 C PRO A 99 -1.921 -19.438 -7.438 1.00 0.00 C ATOM 1598 O PRO A 99 -3.076 -19.046 -7.600 1.00 0.00 O ATOM 1599 CB PRO A 99 -0.612 -18.275 -9.237 1.00 0.00 C ATOM 1600 CG PRO A 99 0.377 -19.285 -9.705 1.00 0.00 C ATOM 1601 CD PRO A 99 1.345 -19.474 -8.570 1.00 0.00 C ATOM 0 HA PRO A 99 -0.929 -17.617 -7.152 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.571 -18.398 -9.740 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.271 -17.261 -9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.115 -20.224 -9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.891 -18.941 -10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.719 -20.497 -8.527 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.212 -18.821 -8.669 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.624 -20.660 -7.006 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.665 -21.631 -6.691 1.00 0.00 C ATOM 1611 C GLU A 100 -2.798 -21.816 -5.182 1.00 0.00 C ATOM 1612 O GLU A 100 -2.912 -22.939 -4.691 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.357 -22.975 -7.355 1.00 0.00 C ATOM 1614 CG GLU A 100 -2.584 -22.978 -8.858 1.00 0.00 C ATOM 1615 CD GLU A 100 -1.972 -24.187 -9.538 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -0.736 -24.348 -9.460 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -2.728 -24.971 -10.148 1.00 0.00 O ATOM 0 H GLU A 100 -0.673 -21.000 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.610 -21.250 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.320 -23.242 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.979 -23.746 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.655 -22.956 -9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.160 -22.071 -9.288 1.00 0.00 H new ATOM 1624 N SER A 101 -2.782 -20.705 -4.452 1.00 0.00 N ATOM 1625 CA SER A 101 -2.896 -20.744 -2.999 1.00 0.00 C ATOM 1626 C SER A 101 -3.965 -19.770 -2.512 1.00 0.00 C ATOM 1627 O SER A 101 -4.409 -18.894 -3.256 1.00 0.00 O ATOM 1628 CB SER A 101 -1.551 -20.409 -2.351 1.00 0.00 C ATOM 1629 OG SER A 101 -0.611 -21.448 -2.562 1.00 0.00 O ATOM 0 H SER A 101 -2.691 -19.767 -4.843 1.00 0.00 H new ATOM 0 HA SER A 101 -3.189 -21.753 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.166 -19.477 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.688 -20.250 -1.281 1.00 0.00 H new ATOM 0 HG SER A 101 0.241 -21.209 -2.140 1.00 0.00 H new ATOM 1635 N LEU A 102 -4.374 -19.929 -1.258 1.00 0.00 N ATOM 1636 CA LEU A 102 -5.390 -19.064 -0.670 1.00 0.00 C ATOM 1637 C LEU A 102 -4.901 -17.621 -0.593 1.00 0.00 C ATOM 1638 O LEU A 102 -5.607 -16.694 -0.988 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.766 -19.562 0.727 1.00 0.00 C ATOM 1640 CG LEU A 102 -6.502 -20.901 0.786 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -6.385 -21.514 2.173 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -7.964 -20.724 0.401 1.00 0.00 C ATOM 0 H LEU A 102 -4.018 -20.649 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.272 -19.095 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.855 -19.645 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.389 -18.806 1.205 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.038 -21.580 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.915 -22.466 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.334 -21.678 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.822 -20.838 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.472 -21.687 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.440 -20.028 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.028 -20.330 -0.613 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.686 -17.441 -0.084 1.00 0.00 N ATOM 1655 CA ILE A 103 -3.101 -16.112 0.041 1.00 0.00 C ATOM 1656 C ILE A 103 -3.100 -15.383 -1.298 1.00 0.00 C ATOM 1657 O ILE A 103 -3.329 -14.175 -1.359 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.659 -16.180 0.577 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.178 -14.788 0.990 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.732 -16.776 -0.473 1.00 0.00 C ATOM 1661 CD1 ILE A 103 -0.503 -14.025 -0.128 1.00 0.00 C ATOM 0 H ILE A 103 -3.089 -18.198 0.248 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.718 -15.561 0.751 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.644 -16.824 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.029 -14.211 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.483 -14.885 1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.284 -16.818 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.066 -17.783 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.749 -16.155 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.188 -13.047 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.368 -14.581 -0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.202 -13.896 -0.954 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.844 -16.126 -2.369 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.814 -15.550 -3.709 1.00 0.00 C ATOM 1675 C TYR A 104 -4.140 -14.874 -4.041 1.00 0.00 C ATOM 1676 O TYR A 104 -4.179 -13.692 -4.386 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.506 -16.633 -4.745 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.517 -16.128 -6.170 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.529 -15.266 -6.629 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -3.516 -16.512 -7.056 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -1.536 -14.801 -7.931 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.530 -16.053 -8.359 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.537 -15.198 -8.791 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.548 -14.738 -10.088 1.00 0.00 O ATOM 0 H TYR A 104 -2.654 -17.128 -2.336 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.027 -14.796 -3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.528 -17.064 -4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.237 -17.436 -4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.743 -14.954 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.295 -17.181 -6.720 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.761 -14.130 -8.272 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.313 -16.362 -9.035 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.319 -15.113 -10.562 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.226 -15.632 -3.935 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.556 -15.108 -4.223 1.00 0.00 C ATOM 1696 C LYS A 105 -6.797 -13.797 -3.480 1.00 0.00 C ATOM 1697 O LYS A 105 -7.267 -12.820 -4.063 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.625 -16.131 -3.832 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.648 -17.358 -4.727 1.00 0.00 C ATOM 1700 CD LYS A 105 -8.271 -18.551 -4.022 1.00 0.00 C ATOM 1701 CE LYS A 105 -9.770 -18.372 -3.842 1.00 0.00 C ATOM 1702 NZ LYS A 105 -10.095 -17.644 -2.584 1.00 0.00 N ATOM 0 H LYS A 105 -5.211 -16.612 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.619 -14.916 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.456 -16.446 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.603 -15.651 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.209 -17.137 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.632 -17.605 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.078 -19.456 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.800 -18.686 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.175 -17.825 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.254 -19.349 -3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.941 -18.064 -2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.294 -17.716 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.277 -16.643 -2.799 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.470 -13.784 -2.192 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.648 -12.592 -1.371 1.00 0.00 C ATOM 1718 C ASP A 106 -6.002 -11.377 -2.029 1.00 0.00 C ATOM 1719 O ASP A 106 -6.588 -10.295 -2.068 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.052 -12.812 0.020 1.00 0.00 C ATOM 1721 CG ASP A 106 -6.656 -14.010 0.726 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -7.837 -14.319 0.465 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -5.946 -14.638 1.539 1.00 0.00 O ATOM 0 H ASP A 106 -6.081 -14.585 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.717 -12.404 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.974 -12.951 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.210 -11.919 0.625 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.791 -11.563 -2.544 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.066 -10.483 -3.201 1.00 0.00 C ATOM 1730 C ALA A 107 -4.859 -9.926 -4.378 1.00 0.00 C ATOM 1731 O ALA A 107 -4.844 -8.721 -4.636 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.700 -10.969 -3.663 1.00 0.00 C ATOM 0 H ALA A 107 -4.291 -12.452 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.927 -9.679 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.169 -10.152 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.125 -11.311 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.825 -11.792 -4.366 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.549 -10.809 -5.091 1.00 0.00 N ATOM 1739 CA LEU A 108 -6.347 -10.406 -6.243 1.00 0.00 C ATOM 1740 C LEU A 108 -7.613 -9.679 -5.801 1.00 0.00 C ATOM 1741 O LEU A 108 -8.025 -8.696 -6.417 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.715 -11.628 -7.087 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.654 -12.103 -8.079 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -4.658 -13.027 -7.394 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -6.305 -12.802 -9.263 1.00 0.00 C ATOM 0 H LEU A 108 -5.572 -11.809 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.749 -9.723 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.949 -12.453 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.626 -11.401 -7.641 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.115 -11.231 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.910 -13.355 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.167 -12.494 -6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.182 -13.895 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.534 -13.133 -9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.870 -13.665 -8.910 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.978 -12.110 -9.769 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.226 -10.169 -4.727 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.443 -9.565 -4.200 1.00 0.00 C ATOM 1759 C VAL A 109 -9.172 -8.166 -3.656 1.00 0.00 C ATOM 1760 O VAL A 109 -9.867 -7.209 -3.999 1.00 0.00 O ATOM 1761 CB VAL A 109 -10.059 -10.427 -3.082 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.255 -9.722 -2.461 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.456 -11.793 -3.621 1.00 0.00 C ATOM 0 H VAL A 109 -7.899 -10.982 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.148 -9.500 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.309 -10.572 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.677 -10.346 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.936 -8.770 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -12.010 -9.544 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.889 -12.389 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -11.189 -11.671 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.574 -12.300 -4.014 1.00 0.00 H new ATOM 1773 N LEU A 110 -8.156 -8.055 -2.807 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.791 -6.772 -2.215 1.00 0.00 C ATOM 1775 C LEU A 110 -7.302 -5.800 -3.283 1.00 0.00 C ATOM 1776 O LEU A 110 -7.853 -4.711 -3.446 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.708 -6.968 -1.153 1.00 0.00 C ATOM 1778 CG LEU A 110 -7.002 -8.018 -0.081 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.711 -8.502 0.561 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.945 -7.455 0.973 1.00 0.00 C ATOM 0 H LEU A 110 -7.571 -8.837 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.679 -6.350 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.780 -7.240 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.534 -6.012 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.488 -8.869 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.940 -9.249 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.070 -8.945 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.197 -7.660 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.143 -8.216 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.486 -6.586 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.882 -7.159 0.502 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.263 -6.200 -4.010 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.701 -5.365 -5.065 1.00 0.00 C ATOM 1794 C HIS A 111 -6.806 -4.672 -5.857 1.00 0.00 C ATOM 1795 O HIS A 111 -6.753 -3.465 -6.092 1.00 0.00 O ATOM 1796 CB HIS A 111 -4.836 -6.206 -6.004 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.135 -5.402 -7.056 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.653 -5.949 -8.226 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -3.838 -4.082 -7.109 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.088 -5.002 -8.952 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.188 -3.859 -8.297 1.00 0.00 N ATOM 0 H HIS A 111 -5.794 -7.097 -3.887 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.080 -4.601 -4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.093 -6.744 -5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.463 -6.955 -6.488 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.069 -3.343 -6.357 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.623 -5.138 -9.917 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.839 -2.957 -8.622 1.00 0.00 H new ATOM 1810 N LYS A 112 -7.807 -5.444 -6.267 1.00 0.00 N ATOM 1811 CA LYS A 112 -8.925 -4.906 -7.032 1.00 0.00 C ATOM 1812 C LYS A 112 -9.730 -3.916 -6.195 1.00 0.00 C ATOM 1813 O LYS A 112 -10.215 -2.907 -6.707 1.00 0.00 O ATOM 1814 CB LYS A 112 -9.833 -6.040 -7.513 1.00 0.00 C ATOM 1815 CG LYS A 112 -9.416 -6.627 -8.850 1.00 0.00 C ATOM 1816 CD LYS A 112 -10.065 -7.980 -9.092 1.00 0.00 C ATOM 1817 CE LYS A 112 -9.562 -8.618 -10.378 1.00 0.00 C ATOM 1818 NZ LYS A 112 -10.237 -8.051 -11.579 1.00 0.00 N ATOM 0 H LYS A 112 -7.866 -6.445 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.522 -4.380 -7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.839 -6.832 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.854 -5.668 -7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.692 -5.942 -9.651 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.331 -6.732 -8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.856 -8.641 -8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.147 -7.862 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.486 -8.468 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.731 -9.694 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.867 -8.511 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.262 -8.217 -11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.054 -7.028 -11.630 1.00 0.00 H new ATOM 1832 N VAL A 113 -9.867 -4.211 -4.906 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.610 -3.346 -3.999 1.00 0.00 C ATOM 1834 C VAL A 113 -10.008 -1.946 -3.957 1.00 0.00 C ATOM 1835 O VAL A 113 -10.709 -0.950 -4.138 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.640 -3.923 -2.571 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.216 -2.908 -1.596 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.438 -5.218 -2.537 1.00 0.00 C ATOM 0 H VAL A 113 -9.473 -5.043 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.629 -3.289 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.617 -4.144 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.229 -3.334 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.600 -2.009 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.233 -2.653 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.449 -5.612 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.460 -5.024 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.977 -5.947 -3.204 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.703 -1.877 -3.717 1.00 0.00 N ATOM 1849 CA LEU A 114 -8.004 -0.599 -3.651 1.00 0.00 C ATOM 1850 C LEU A 114 -8.344 0.271 -4.857 1.00 0.00 C ATOM 1851 O LEU A 114 -8.776 1.415 -4.709 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.492 -0.824 -3.581 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.620 0.422 -3.731 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.718 1.295 -2.489 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.173 0.032 -3.998 1.00 0.00 C ATOM 0 H LEU A 114 -8.108 -2.691 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.330 -0.082 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.259 -1.293 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.214 -1.533 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.984 0.996 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.090 2.177 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.753 1.604 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.381 0.730 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.567 0.932 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.798 -0.564 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.117 -0.551 -4.917 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.150 -0.279 -6.050 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.439 0.445 -7.283 1.00 0.00 C ATOM 1869 C LEU A 115 -9.807 1.116 -7.212 1.00 0.00 C ATOM 1870 O LEU A 115 -9.934 2.314 -7.464 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.385 -0.505 -8.481 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.055 -1.223 -8.709 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.232 -2.378 -9.683 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.004 -0.249 -9.219 1.00 0.00 C ATOM 0 H LEU A 115 -7.794 -1.224 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.681 1.219 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.164 -1.257 -8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.628 0.062 -9.380 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.714 -1.628 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.275 -2.877 -9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.952 -3.089 -9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.596 -1.997 -10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.064 -0.778 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.337 0.186 -10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.857 0.544 -8.486 1.00 0.00 H new ATOM 1886 N GLU A 116 -10.826 0.336 -6.866 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.184 0.857 -6.761 1.00 0.00 C ATOM 1888 C GLU A 116 -12.277 1.918 -5.669 1.00 0.00 C ATOM 1889 O GLU A 116 -13.009 2.900 -5.800 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.168 -0.278 -6.469 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.321 -1.261 -7.618 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.173 -0.712 -8.745 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.383 -0.498 -8.524 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -13.630 -0.498 -9.849 1.00 0.00 O ATOM 0 H GLU A 116 -10.737 -0.658 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.443 1.318 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.835 -0.817 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.143 0.149 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.335 -1.518 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.768 -2.183 -7.246 1.00 0.00 H new ATOM 1901 N THR A 117 -11.529 1.715 -4.589 1.00 0.00 N ATOM 1902 CA THR A 117 -11.527 2.652 -3.473 1.00 0.00 C ATOM 1903 C THR A 117 -11.322 4.083 -3.956 1.00 0.00 C ATOM 1904 O THR A 117 -11.799 5.033 -3.335 1.00 0.00 O ATOM 1905 CB THR A 117 -10.428 2.306 -2.450 1.00 0.00 C ATOM 1906 OG1 THR A 117 -10.392 0.891 -2.230 1.00 0.00 O ATOM 1907 CG2 THR A 117 -10.671 3.023 -1.131 1.00 0.00 C ATOM 0 H THR A 117 -10.916 0.909 -4.464 1.00 0.00 H new ATOM 0 HA THR A 117 -12.501 2.570 -2.991 1.00 0.00 H new ATOM 0 HB THR A 117 -9.470 2.636 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.940 0.703 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.882 2.763 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.669 4.100 -1.297 1.00 0.00 H new ATOM 0 HG23 THR A 117 -11.636 2.720 -0.725 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.610 4.230 -5.069 1.00 0.00 N ATOM 1916 CA ARG A 118 -10.342 5.546 -5.636 1.00 0.00 C ATOM 1917 C ARG A 118 -11.582 6.432 -5.564 1.00 0.00 C ATOM 1918 O ARG A 118 -11.509 7.586 -5.143 1.00 0.00 O ATOM 1919 CB ARG A 118 -9.879 5.415 -7.088 1.00 0.00 C ATOM 1920 CG ARG A 118 -8.517 4.757 -7.236 1.00 0.00 C ATOM 1921 CD ARG A 118 -7.395 5.782 -7.193 1.00 0.00 C ATOM 1922 NE ARG A 118 -7.405 6.654 -8.364 1.00 0.00 N ATOM 1923 CZ ARG A 118 -6.464 7.558 -8.615 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -5.445 7.708 -7.781 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -6.543 8.314 -9.703 1.00 0.00 N ATOM 0 H ARG A 118 -10.209 3.454 -5.596 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.550 6.012 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -10.616 4.835 -7.644 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.845 6.406 -7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.376 4.028 -6.438 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.476 4.211 -8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.490 6.386 -6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.436 5.267 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.176 6.564 -9.025 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.382 7.129 -6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.724 8.403 -7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.326 8.201 -10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.821 9.008 -9.895 1.00 0.00 H new