USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 ASN : amide:sc= -0.157 K(o=-0.11,f=-1.4!) USER MOD Set 1.2: A 94 CYS SG : rot -22:sc= 0.0474 USER MOD Set 2.1: A 62 MET CE :methyl -120:sc= -0.223 (180deg=-0.698) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 70 HIS :FLIP no HD1:sc= -0.238 F(o=-1.9,f=-1.2) USER MOD Set 2.4: A 76 TYR OH : rot 9:sc= 0.991 USER MOD Set 2.5: A 88 MET CE :methyl -151:sc= -1.74 (180deg=-2.14!) USER MOD Set 3.1: A 21 ASN : amide:sc= -2.23 K(o=-2.9,f=-6.1!) USER MOD Set 3.2: A 72 MET CE :methyl 179:sc= -0.647 (180deg=-0.593) USER MOD Single : A 16 MET CE :methyl -161:sc= -0.68 (180deg=-1.29) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.568 F(o=-2.1,f=-0.57) USER MOD Single : A 18 GLN : amide:sc= -0.0953 K(o=-0.095,f=-0.88) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc=-0.00805 (180deg=-0.162) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0176 (180deg=-0.249) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 120:sc= -0.651 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -110:sc= -0.0933 (180deg=-2.92) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 164:sc= -4.14! (180deg=-4.9!) USER MOD Single : A 74 ASN :FLIP amide:sc= -3.76! C(o=-4.4!,f=-3.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 81 SER OG : rot 85:sc= 1.26 USER MOD Single : A 82 MET CE :methyl 148:sc=-0.00409 (180deg=-0.92) USER MOD Single : A 89 MET CE :methyl -171:sc= -0.11 (180deg=-0.258) USER MOD Single : A 92 ASN : amide:sc= -2.67 X(o=-2.7,f=-2.4) USER MOD Single : A 95 THR OG1 : rot -13:sc= -0.102 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0682 F(o=-0.63,f=-0.068) USER MOD Single : A 101 SER OG : rot 180:sc= -0.232 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -156:sc= -0.0909 (180deg=-0.567) USER MOD Single : A 111 HIS : no HD1:sc= -0.004 X(o=-0.004,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 81:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -6.955 17.967 3.156 1.00 0.00 N ATOM 196 CA PRO A 15 -7.885 16.974 2.610 1.00 0.00 C ATOM 197 C PRO A 15 -7.166 15.858 1.860 1.00 0.00 C ATOM 198 O PRO A 15 -7.791 14.900 1.405 1.00 0.00 O ATOM 199 CB PRO A 15 -8.753 17.791 1.649 1.00 0.00 C ATOM 200 CG PRO A 15 -7.899 18.946 1.256 1.00 0.00 C ATOM 201 CD PRO A 15 -7.049 19.260 2.457 1.00 0.00 C ATOM 0 HA PRO A 15 -8.451 16.471 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.045 17.201 0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.672 18.124 2.131 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.280 18.698 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.509 19.804 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.066 19.633 2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.507 20.024 3.085 1.00 0.00 H new ATOM 209 N MET A 16 -5.849 15.987 1.736 1.00 0.00 N ATOM 210 CA MET A 16 -5.045 14.987 1.042 1.00 0.00 C ATOM 211 C MET A 16 -4.460 13.981 2.028 1.00 0.00 C ATOM 212 O MET A 16 -4.321 12.800 1.713 1.00 0.00 O ATOM 213 CB MET A 16 -3.919 15.663 0.257 1.00 0.00 C ATOM 214 CG MET A 16 -4.337 16.123 -1.130 1.00 0.00 C ATOM 215 SD MET A 16 -4.997 14.782 -2.138 1.00 0.00 S ATOM 216 CE MET A 16 -3.621 13.635 -2.118 1.00 0.00 C ATOM 0 H MET A 16 -5.316 16.774 2.107 1.00 0.00 H new ATOM 0 HA MET A 16 -5.693 14.453 0.347 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.558 16.522 0.822 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.084 14.969 0.164 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.089 16.906 -1.037 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.478 16.564 -1.636 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.722 12.931 -2.944 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.686 14.186 -2.224 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.616 13.089 -1.174 1.00 0.00 H new ATOM 226 N GLN A 17 -4.120 14.457 3.222 1.00 0.00 N ATOM 227 CA GLN A 17 -3.550 13.598 4.252 1.00 0.00 C ATOM 228 C GLN A 17 -4.599 12.637 4.802 1.00 0.00 C ATOM 229 O GLN A 17 -4.331 11.450 4.985 1.00 0.00 O ATOM 230 CB GLN A 17 -2.970 14.443 5.388 1.00 0.00 C ATOM 231 CG GLN A 17 -1.510 14.813 5.186 1.00 0.00 C ATOM 232 CD GLN A 17 -1.197 15.195 3.753 1.00 0.00 C ATOM 233 OE1 GLN A 17 -0.907 14.198 2.924 1.00 0.00 O flip ATOM 234 NE2 GLN A 17 -1.215 16.372 3.393 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.230 15.432 3.499 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.750 13.013 3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.557 15.356 5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.071 13.896 6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.256 15.644 5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.882 13.972 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.443 17.107 4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.002 16.613 2.425 1.00 0.00 H new ATOM 243 N GLN A 18 -5.793 13.159 5.064 1.00 0.00 N ATOM 244 CA GLN A 18 -6.882 12.347 5.595 1.00 0.00 C ATOM 245 C GLN A 18 -7.266 11.244 4.614 1.00 0.00 C ATOM 246 O GLN A 18 -7.503 10.102 5.009 1.00 0.00 O ATOM 247 CB GLN A 18 -8.099 13.223 5.898 1.00 0.00 C ATOM 248 CG GLN A 18 -8.644 13.949 4.678 1.00 0.00 C ATOM 249 CD GLN A 18 -9.982 14.611 4.944 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.057 15.822 5.155 1.00 0.00 O ATOM 251 NE2 GLN A 18 -11.047 13.819 4.935 1.00 0.00 N ATOM 0 H GLN A 18 -6.031 14.140 4.917 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.539 11.883 6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.887 12.601 6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.828 13.957 6.657 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.926 14.704 4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.750 13.241 3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.939 12.821 4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.974 14.209 5.107 1.00 0.00 H new ATOM 260 N LYS A 19 -7.326 11.593 3.333 1.00 0.00 N ATOM 261 CA LYS A 19 -7.680 10.633 2.294 1.00 0.00 C ATOM 262 C LYS A 19 -6.757 9.420 2.336 1.00 0.00 C ATOM 263 O LYS A 19 -7.205 8.281 2.199 1.00 0.00 O ATOM 264 CB LYS A 19 -7.610 11.293 0.915 1.00 0.00 C ATOM 265 CG LYS A 19 -7.862 10.332 -0.233 1.00 0.00 C ATOM 266 CD LYS A 19 -9.319 9.905 -0.293 1.00 0.00 C ATOM 267 CE LYS A 19 -9.740 9.558 -1.713 1.00 0.00 C ATOM 268 NZ LYS A 19 -9.859 10.772 -2.568 1.00 0.00 N ATOM 0 H LYS A 19 -7.134 12.534 2.990 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.701 10.297 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.342 12.099 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.627 11.747 0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.582 10.806 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.229 9.452 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.473 9.042 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.950 10.707 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.012 8.875 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.696 9.034 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.412 10.544 -3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.338 11.526 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.910 11.094 -2.847 1.00 0.00 H new ATOM 282 N LEU A 20 -5.466 9.671 2.528 1.00 0.00 N ATOM 283 CA LEU A 20 -4.479 8.598 2.590 1.00 0.00 C ATOM 284 C LEU A 20 -4.876 7.552 3.627 1.00 0.00 C ATOM 285 O LEU A 20 -4.950 6.362 3.326 1.00 0.00 O ATOM 286 CB LEU A 20 -3.099 9.167 2.925 1.00 0.00 C ATOM 287 CG LEU A 20 -2.443 10.020 1.839 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.319 10.860 2.425 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.922 9.140 0.712 1.00 0.00 C ATOM 0 H LEU A 20 -5.079 10.608 2.643 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.440 8.117 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.186 9.770 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.433 8.337 3.159 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.196 10.694 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.864 11.460 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.720 11.518 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.566 10.205 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.458 9.764 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.184 8.442 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.750 8.583 0.273 1.00 0.00 H new ATOM 301 N ASN A 21 -5.132 8.006 4.850 1.00 0.00 N ATOM 302 CA ASN A 21 -5.524 7.110 5.931 1.00 0.00 C ATOM 303 C ASN A 21 -6.819 6.379 5.591 1.00 0.00 C ATOM 304 O ASN A 21 -6.962 5.188 5.865 1.00 0.00 O ATOM 305 CB ASN A 21 -5.694 7.893 7.235 1.00 0.00 C ATOM 306 CG ASN A 21 -6.001 6.991 8.415 1.00 0.00 C ATOM 307 OD1 ASN A 21 -6.728 6.006 8.286 1.00 0.00 O ATOM 308 ND2 ASN A 21 -5.447 7.326 9.575 1.00 0.00 N ATOM 0 H ASN A 21 -5.075 8.989 5.117 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.734 6.370 6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.783 8.456 7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.498 8.619 7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.618 6.758 10.405 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.851 8.151 9.636 1.00 0.00 H new ATOM 315 N GLU A 22 -7.760 7.103 4.992 1.00 0.00 N ATOM 316 CA GLU A 22 -9.044 6.523 4.615 1.00 0.00 C ATOM 317 C GLU A 22 -8.847 5.252 3.795 1.00 0.00 C ATOM 318 O GLU A 22 -9.249 4.164 4.208 1.00 0.00 O ATOM 319 CB GLU A 22 -9.870 7.534 3.817 1.00 0.00 C ATOM 320 CG GLU A 22 -10.426 8.668 4.663 1.00 0.00 C ATOM 321 CD GLU A 22 -11.615 8.241 5.502 1.00 0.00 C ATOM 322 OE1 GLU A 22 -12.663 7.899 4.914 1.00 0.00 O ATOM 323 OE2 GLU A 22 -11.499 8.249 6.745 1.00 0.00 O ATOM 0 H GLU A 22 -7.657 8.090 4.758 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.580 6.266 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.249 7.953 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.697 7.014 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.641 9.046 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.722 9.491 4.012 1.00 0.00 H new ATOM 330 N VAL A 23 -8.225 5.397 2.629 1.00 0.00 N ATOM 331 CA VAL A 23 -7.974 4.261 1.750 1.00 0.00 C ATOM 332 C VAL A 23 -7.259 3.139 2.493 1.00 0.00 C ATOM 333 O VAL A 23 -7.700 1.989 2.476 1.00 0.00 O ATOM 334 CB VAL A 23 -7.130 4.672 0.529 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.653 3.443 -0.230 1.00 0.00 C ATOM 336 CG2 VAL A 23 -7.925 5.596 -0.382 1.00 0.00 C ATOM 0 H VAL A 23 -7.886 6.290 2.271 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.946 3.905 1.408 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.253 5.214 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.059 3.754 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.044 2.823 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.515 2.870 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.313 5.876 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.822 5.082 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.210 6.492 0.169 1.00 0.00 H new ATOM 346 N TYR A 24 -6.153 3.479 3.146 1.00 0.00 N ATOM 347 CA TYR A 24 -5.375 2.500 3.895 1.00 0.00 C ATOM 348 C TYR A 24 -6.266 1.713 4.851 1.00 0.00 C ATOM 349 O TYR A 24 -6.030 0.532 5.106 1.00 0.00 O ATOM 350 CB TYR A 24 -4.258 3.194 4.676 1.00 0.00 C ATOM 351 CG TYR A 24 -3.464 2.258 5.558 1.00 0.00 C ATOM 352 CD1 TYR A 24 -4.041 1.667 6.676 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.136 1.962 5.274 1.00 0.00 C ATOM 354 CE1 TYR A 24 -3.319 0.812 7.485 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.407 1.107 6.076 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.002 0.534 7.181 1.00 0.00 C ATOM 357 OH TYR A 24 -1.280 -0.318 7.984 1.00 0.00 O ATOM 0 H TYR A 24 -5.775 4.426 3.171 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.932 1.804 3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.581 3.678 3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.692 3.980 5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.072 1.880 6.916 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.666 2.409 4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.783 0.363 8.351 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.376 0.888 5.840 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.370 -0.408 7.631 1.00 0.00 H new ATOM 367 N GLU A 25 -7.291 2.376 5.376 1.00 0.00 N ATOM 368 CA GLU A 25 -8.218 1.739 6.305 1.00 0.00 C ATOM 369 C GLU A 25 -9.307 0.981 5.552 1.00 0.00 C ATOM 370 O GLU A 25 -9.870 0.012 6.061 1.00 0.00 O ATOM 371 CB GLU A 25 -8.852 2.784 7.225 1.00 0.00 C ATOM 372 CG GLU A 25 -8.068 3.024 8.505 1.00 0.00 C ATOM 373 CD GLU A 25 -8.954 3.441 9.662 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.875 2.673 10.012 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.725 4.535 10.219 1.00 0.00 O ATOM 0 H GLU A 25 -7.501 3.354 5.174 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.655 1.028 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.943 3.725 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.862 2.465 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.530 2.115 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.319 3.796 8.329 1.00 0.00 H new ATOM 382 N ALA A 26 -9.600 1.430 4.336 1.00 0.00 N ATOM 383 CA ALA A 26 -10.620 0.795 3.511 1.00 0.00 C ATOM 384 C ALA A 26 -10.178 -0.595 3.065 1.00 0.00 C ATOM 385 O ALA A 26 -11.005 -1.438 2.716 1.00 0.00 O ATOM 386 CB ALA A 26 -10.939 1.663 2.303 1.00 0.00 C ATOM 0 H ALA A 26 -9.145 2.232 3.900 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.522 0.685 4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.702 1.176 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.307 2.633 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.037 1.803 1.707 1.00 0.00 H new ATOM 392 N VAL A 27 -8.869 -0.827 3.078 1.00 0.00 N ATOM 393 CA VAL A 27 -8.318 -2.115 2.675 1.00 0.00 C ATOM 394 C VAL A 27 -8.128 -3.032 3.878 1.00 0.00 C ATOM 395 O VAL A 27 -8.535 -4.194 3.857 1.00 0.00 O ATOM 396 CB VAL A 27 -6.967 -1.946 1.953 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.350 -3.303 1.650 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.142 -1.134 0.679 1.00 0.00 C ATOM 0 H VAL A 27 -8.171 -0.140 3.363 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.035 -2.565 1.988 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.288 -1.404 2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.397 -3.164 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.187 -3.845 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.023 -3.874 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.178 -1.024 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.837 -1.646 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.536 -0.149 0.927 1.00 0.00 H new ATOM 408 N LYS A 28 -7.507 -2.503 4.926 1.00 0.00 N ATOM 409 CA LYS A 28 -7.263 -3.272 6.141 1.00 0.00 C ATOM 410 C LYS A 28 -8.576 -3.746 6.757 1.00 0.00 C ATOM 411 O LYS A 28 -8.713 -4.910 7.129 1.00 0.00 O ATOM 412 CB LYS A 28 -6.486 -2.430 7.155 1.00 0.00 C ATOM 413 CG LYS A 28 -6.381 -3.074 8.527 1.00 0.00 C ATOM 414 CD LYS A 28 -5.491 -2.265 9.456 1.00 0.00 C ATOM 415 CE LYS A 28 -5.797 -2.559 10.916 1.00 0.00 C ATOM 416 NZ LYS A 28 -7.119 -2.011 11.328 1.00 0.00 N ATOM 0 H LYS A 28 -7.163 -1.543 4.959 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.670 -4.147 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.482 -2.248 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.970 -1.459 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.375 -3.167 8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.982 -4.083 8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.445 -2.493 9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.630 -1.202 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.784 -3.637 11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.015 -2.132 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.157 -1.939 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.249 -1.067 10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.875 -2.643 10.996 1.00 0.00 H new ATOM 430 N ASN A 29 -9.539 -2.835 6.860 1.00 0.00 N ATOM 431 CA ASN A 29 -10.841 -3.161 7.431 1.00 0.00 C ATOM 432 C ASN A 29 -11.580 -4.171 6.558 1.00 0.00 C ATOM 433 O ASN A 29 -12.294 -5.038 7.062 1.00 0.00 O ATOM 434 CB ASN A 29 -11.683 -1.893 7.588 1.00 0.00 C ATOM 435 CG ASN A 29 -11.310 -1.102 8.827 1.00 0.00 C ATOM 436 OD1 ASN A 29 -10.206 -1.237 9.355 1.00 0.00 O ATOM 437 ND2 ASN A 29 -12.232 -0.270 9.297 1.00 0.00 N ATOM 0 H ASN A 29 -9.442 -1.866 6.556 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.679 -3.606 8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.556 -1.264 6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.738 -2.164 7.637 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.038 0.289 10.128 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.134 -0.190 8.827 1.00 0.00 H new ATOM 444 N TYR A 30 -11.403 -4.052 5.247 1.00 0.00 N ATOM 445 CA TYR A 30 -12.054 -4.953 4.303 1.00 0.00 C ATOM 446 C TYR A 30 -12.014 -6.392 4.807 1.00 0.00 C ATOM 447 O TYR A 30 -10.959 -6.900 5.192 1.00 0.00 O ATOM 448 CB TYR A 30 -11.381 -4.862 2.932 1.00 0.00 C ATOM 449 CG TYR A 30 -12.077 -5.672 1.862 1.00 0.00 C ATOM 450 CD1 TYR A 30 -11.778 -7.017 1.677 1.00 0.00 C ATOM 451 CD2 TYR A 30 -13.032 -5.094 1.035 1.00 0.00 C ATOM 452 CE1 TYR A 30 -12.410 -7.761 0.699 1.00 0.00 C ATOM 453 CE2 TYR A 30 -13.670 -5.831 0.056 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.356 -7.164 -0.108 1.00 0.00 C ATOM 455 OH TYR A 30 -13.988 -7.901 -1.083 1.00 0.00 O ATOM 0 H TYR A 30 -10.814 -3.341 4.814 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.097 -4.649 4.210 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.348 -3.818 2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.349 -5.202 3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.039 -7.488 2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -13.280 -4.050 1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.165 -8.804 0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -14.411 -5.366 -0.578 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.626 -7.332 -1.562 1.00 0.00 H new ATOM 465 N THR A 31 -13.171 -7.046 4.803 1.00 0.00 N ATOM 466 CA THR A 31 -13.270 -8.427 5.260 1.00 0.00 C ATOM 467 C THR A 31 -14.160 -9.249 4.335 1.00 0.00 C ATOM 468 O THR A 31 -14.731 -8.725 3.379 1.00 0.00 O ATOM 469 CB THR A 31 -13.828 -8.505 6.693 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.874 -7.543 6.865 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.730 -8.256 7.716 1.00 0.00 C ATOM 0 H THR A 31 -14.053 -6.642 4.488 1.00 0.00 H new ATOM 0 HA THR A 31 -12.260 -8.838 5.248 1.00 0.00 H new ATOM 0 HB THR A 31 -14.228 -9.507 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.224 -7.601 7.778 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.148 -8.316 8.721 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.949 -9.008 7.602 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.304 -7.265 7.559 1.00 0.00 H new ATOM 479 N ASP A 32 -14.274 -10.541 4.626 1.00 0.00 N ATOM 480 CA ASP A 32 -15.096 -11.436 3.820 1.00 0.00 C ATOM 481 C ASP A 32 -16.578 -11.222 4.112 1.00 0.00 C ATOM 482 O ASP A 32 -16.945 -10.400 4.952 1.00 0.00 O ATOM 483 CB ASP A 32 -14.716 -12.893 4.090 1.00 0.00 C ATOM 484 CG ASP A 32 -14.962 -13.786 2.890 1.00 0.00 C ATOM 485 OD1 ASP A 32 -14.784 -13.311 1.749 1.00 0.00 O ATOM 486 OD2 ASP A 32 -15.330 -14.962 3.092 1.00 0.00 O ATOM 0 H ASP A 32 -13.808 -10.991 5.414 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.914 -11.210 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.664 -12.946 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.290 -13.264 4.939 1.00 0.00 H new ATOM 491 N LYS A 33 -17.427 -11.966 3.411 1.00 0.00 N ATOM 492 CA LYS A 33 -18.870 -11.859 3.593 1.00 0.00 C ATOM 493 C LYS A 33 -19.248 -12.048 5.059 1.00 0.00 C ATOM 494 O LYS A 33 -20.342 -11.671 5.481 1.00 0.00 O ATOM 495 CB LYS A 33 -19.592 -12.897 2.731 1.00 0.00 C ATOM 496 CG LYS A 33 -19.686 -12.511 1.266 1.00 0.00 C ATOM 497 CD LYS A 33 -20.833 -11.546 1.016 1.00 0.00 C ATOM 498 CE LYS A 33 -22.174 -12.264 1.008 1.00 0.00 C ATOM 499 NZ LYS A 33 -23.313 -11.316 1.154 1.00 0.00 N ATOM 0 H LYS A 33 -17.140 -12.650 2.711 1.00 0.00 H new ATOM 0 HA LYS A 33 -19.178 -10.861 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -19.072 -13.851 2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.598 -13.047 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.749 -12.054 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -19.825 -13.407 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -20.836 -10.776 1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -20.684 -11.041 0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -22.282 -12.821 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -22.201 -12.991 1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -24.208 -11.845 1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -23.224 -10.803 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -23.303 -10.637 0.366 1.00 0.00 H new ATOM 513 N ARG A 34 -18.337 -12.632 5.830 1.00 0.00 N ATOM 514 CA ARG A 34 -18.576 -12.870 7.249 1.00 0.00 C ATOM 515 C ARG A 34 -17.805 -11.870 8.105 1.00 0.00 C ATOM 516 O ARG A 34 -18.396 -11.001 8.745 1.00 0.00 O ATOM 517 CB ARG A 34 -18.171 -14.297 7.623 1.00 0.00 C ATOM 518 CG ARG A 34 -19.081 -15.363 7.035 1.00 0.00 C ATOM 519 CD ARG A 34 -18.499 -16.756 7.220 1.00 0.00 C ATOM 520 NE ARG A 34 -19.538 -17.781 7.265 1.00 0.00 N ATOM 521 CZ ARG A 34 -19.307 -19.048 7.592 1.00 0.00 C ATOM 522 NH1 ARG A 34 -18.080 -19.443 7.900 1.00 0.00 N ATOM 523 NH2 ARG A 34 -20.305 -19.922 7.611 1.00 0.00 N ATOM 0 H ARG A 34 -17.427 -12.949 5.496 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.641 -12.740 7.440 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -17.150 -14.476 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -18.169 -14.392 8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -20.060 -15.310 7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -19.232 -15.169 5.973 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.811 -16.973 6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.919 -16.787 8.142 1.00 0.00 H new ATOM 0 HE ARG A 34 -20.493 -17.510 7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.310 -18.774 7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -17.905 -20.416 8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.251 -19.622 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.127 -20.894 7.862 1.00 0.00 H new ATOM 537 N GLY A 35 -16.482 -11.999 8.112 1.00 0.00 N ATOM 538 CA GLY A 35 -15.652 -11.101 8.893 1.00 0.00 C ATOM 539 C GLY A 35 -14.232 -11.609 9.046 1.00 0.00 C ATOM 540 O GLY A 35 -13.656 -11.543 10.132 1.00 0.00 O ATOM 0 H GLY A 35 -15.970 -12.710 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.634 -10.121 8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.095 -10.968 9.880 1.00 0.00 H new ATOM 544 N ARG A 36 -13.667 -12.119 7.957 1.00 0.00 N ATOM 545 CA ARG A 36 -12.307 -12.643 7.975 1.00 0.00 C ATOM 546 C ARG A 36 -11.319 -11.610 7.441 1.00 0.00 C ATOM 547 O ARG A 36 -11.459 -11.126 6.318 1.00 0.00 O ATOM 548 CB ARG A 36 -12.220 -13.924 7.145 1.00 0.00 C ATOM 549 CG ARG A 36 -11.048 -14.816 7.522 1.00 0.00 C ATOM 550 CD ARG A 36 -11.004 -16.070 6.664 1.00 0.00 C ATOM 551 NE ARG A 36 -12.035 -17.032 7.045 1.00 0.00 N ATOM 552 CZ ARG A 36 -12.324 -18.119 6.338 1.00 0.00 C ATOM 553 NH1 ARG A 36 -11.663 -18.381 5.219 1.00 0.00 N ATOM 554 NH2 ARG A 36 -13.276 -18.946 6.750 1.00 0.00 N ATOM 0 H ARG A 36 -14.130 -12.180 7.050 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.046 -12.870 9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.146 -14.487 7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.140 -13.659 6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.116 -14.262 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.125 -15.095 8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.133 -15.797 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.023 -16.536 6.754 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.562 -16.860 7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.931 -17.747 4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.887 -19.216 4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.787 -18.748 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.497 -19.780 6.206 1.00 0.00 H new ATOM 568 N ARG A 37 -10.322 -11.276 8.254 1.00 0.00 N ATOM 569 CA ARG A 37 -9.312 -10.300 7.864 1.00 0.00 C ATOM 570 C ARG A 37 -8.293 -10.921 6.913 1.00 0.00 C ATOM 571 O ARG A 37 -7.561 -11.840 7.284 1.00 0.00 O ATOM 572 CB ARG A 37 -8.601 -9.748 9.100 1.00 0.00 C ATOM 573 CG ARG A 37 -8.071 -8.335 8.919 1.00 0.00 C ATOM 574 CD ARG A 37 -9.150 -7.297 9.185 1.00 0.00 C ATOM 575 NE ARG A 37 -9.453 -7.174 10.609 1.00 0.00 N ATOM 576 CZ ARG A 37 -8.633 -6.610 11.488 1.00 0.00 C ATOM 577 NH1 ARG A 37 -7.467 -6.118 11.092 1.00 0.00 N ATOM 578 NH2 ARG A 37 -8.978 -6.536 12.767 1.00 0.00 N ATOM 0 H ARG A 37 -10.192 -11.667 9.187 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.815 -9.483 7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.292 -9.762 9.943 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.772 -10.408 9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.232 -8.171 9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.691 -8.215 7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.826 -6.331 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.056 -7.569 8.644 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.343 -7.541 10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.198 -6.172 10.110 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.839 -5.685 11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.874 -6.913 13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.347 -6.103 13.441 1.00 0.00 H new ATOM 592 N LEU A 38 -8.252 -10.416 5.685 1.00 0.00 N ATOM 593 CA LEU A 38 -7.323 -10.921 4.680 1.00 0.00 C ATOM 594 C LEU A 38 -5.987 -10.190 4.757 1.00 0.00 C ATOM 595 O LEU A 38 -4.935 -10.812 4.898 1.00 0.00 O ATOM 596 CB LEU A 38 -7.923 -10.768 3.281 1.00 0.00 C ATOM 597 CG LEU A 38 -9.424 -11.031 3.161 1.00 0.00 C ATOM 598 CD1 LEU A 38 -10.211 -9.755 3.416 1.00 0.00 C ATOM 599 CD2 LEU A 38 -9.758 -11.602 1.790 1.00 0.00 C ATOM 0 H LEU A 38 -8.851 -9.657 5.361 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.148 -11.978 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.723 -9.755 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.401 -11.447 2.607 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.707 -11.765 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.278 -9.961 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.995 -9.389 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.925 -8.999 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.831 -11.783 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.461 -10.892 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.222 -12.540 1.646 1.00 0.00 H new ATOM 611 N SER A 39 -6.038 -8.865 4.664 1.00 0.00 N ATOM 612 CA SER A 39 -4.831 -8.048 4.721 1.00 0.00 C ATOM 613 C SER A 39 -3.977 -8.424 5.929 1.00 0.00 C ATOM 614 O SER A 39 -2.784 -8.126 5.975 1.00 0.00 O ATOM 615 CB SER A 39 -5.197 -6.564 4.784 1.00 0.00 C ATOM 616 OG SER A 39 -5.672 -6.209 6.071 1.00 0.00 O ATOM 0 H SER A 39 -6.902 -8.334 4.549 1.00 0.00 H new ATOM 0 HA SER A 39 -4.253 -8.235 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.324 -5.960 4.536 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.960 -6.343 4.038 1.00 0.00 H new ATOM 0 HG SER A 39 -5.092 -5.518 6.455 1.00 0.00 H new ATOM 622 N ALA A 40 -4.598 -9.080 6.903 1.00 0.00 N ATOM 623 CA ALA A 40 -3.896 -9.499 8.110 1.00 0.00 C ATOM 624 C ALA A 40 -2.612 -10.247 7.766 1.00 0.00 C ATOM 625 O ALA A 40 -1.664 -10.265 8.553 1.00 0.00 O ATOM 626 CB ALA A 40 -4.800 -10.368 8.972 1.00 0.00 C ATOM 0 H ALA A 40 -5.586 -9.333 6.880 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.626 -8.605 8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.263 -10.674 9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.687 -9.801 9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.099 -11.252 8.409 1.00 0.00 H new ATOM 632 N ILE A 41 -2.588 -10.862 6.589 1.00 0.00 N ATOM 633 CA ILE A 41 -1.419 -11.610 6.142 1.00 0.00 C ATOM 634 C ILE A 41 -0.220 -10.689 5.942 1.00 0.00 C ATOM 635 O ILE A 41 0.922 -11.078 6.187 1.00 0.00 O ATOM 636 CB ILE A 41 -1.701 -12.361 4.828 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.475 -13.174 4.407 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.095 -11.382 3.732 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.476 -14.590 4.940 1.00 0.00 C ATOM 0 H ILE A 41 -3.364 -10.857 5.927 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.190 -12.335 6.923 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.532 -13.048 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.426 -13.204 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.425 -12.665 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.291 -11.928 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.993 -10.842 4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.283 -10.673 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.422 -15.107 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.494 -14.569 6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.357 -15.116 4.573 1.00 0.00 H new ATOM 651 N PHE A 42 -0.488 -9.466 5.496 1.00 0.00 N ATOM 652 CA PHE A 42 0.568 -8.489 5.264 1.00 0.00 C ATOM 653 C PHE A 42 0.710 -7.547 6.456 1.00 0.00 C ATOM 654 O PHE A 42 1.808 -7.088 6.772 1.00 0.00 O ATOM 655 CB PHE A 42 0.278 -7.685 3.995 1.00 0.00 C ATOM 656 CG PHE A 42 0.006 -8.541 2.792 1.00 0.00 C ATOM 657 CD1 PHE A 42 1.009 -9.318 2.236 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.254 -8.569 2.216 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.761 -10.107 1.129 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.508 -9.356 1.108 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.499 -10.127 0.565 1.00 0.00 C ATOM 0 H PHE A 42 -1.428 -9.129 5.288 1.00 0.00 H new ATOM 0 HA PHE A 42 1.506 -9.029 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.581 -7.038 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.127 -7.035 3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.997 -9.307 2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.047 -7.969 2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.552 -10.708 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.494 -9.368 0.668 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.695 -10.744 -0.299 1.00 0.00 H new ATOM 671 N LEU A 43 -0.410 -7.262 7.112 1.00 0.00 N ATOM 672 CA LEU A 43 -0.413 -6.374 8.270 1.00 0.00 C ATOM 673 C LEU A 43 0.868 -6.534 9.082 1.00 0.00 C ATOM 674 O LEU A 43 1.427 -5.555 9.577 1.00 0.00 O ATOM 675 CB LEU A 43 -1.629 -6.658 9.153 1.00 0.00 C ATOM 676 CG LEU A 43 -2.894 -5.861 8.830 1.00 0.00 C ATOM 677 CD1 LEU A 43 -4.060 -6.344 9.678 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.656 -4.374 9.044 1.00 0.00 C ATOM 0 H LEU A 43 -1.327 -7.633 6.862 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.467 -5.347 7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.865 -7.720 9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.354 -6.461 10.189 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.144 -6.021 7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.951 -5.766 9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.245 -7.399 9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.821 -6.214 10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.566 -3.822 8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.381 -4.195 10.084 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.850 -4.037 8.393 1.00 0.00 H new ATOM 690 N ARG A 44 1.329 -7.773 9.213 1.00 0.00 N ATOM 691 CA ARG A 44 2.545 -8.061 9.965 1.00 0.00 C ATOM 692 C ARG A 44 3.499 -8.923 9.144 1.00 0.00 C ATOM 693 O ARG A 44 3.388 -10.150 9.129 1.00 0.00 O ATOM 694 CB ARG A 44 2.203 -8.768 11.278 1.00 0.00 C ATOM 695 CG ARG A 44 1.817 -7.817 12.399 1.00 0.00 C ATOM 696 CD ARG A 44 2.165 -8.394 13.762 1.00 0.00 C ATOM 697 NE ARG A 44 1.251 -9.463 14.154 1.00 0.00 N ATOM 698 CZ ARG A 44 -0.022 -9.261 14.474 1.00 0.00 C ATOM 699 NH1 ARG A 44 -0.529 -8.037 14.449 1.00 0.00 N ATOM 700 NH2 ARG A 44 -0.791 -10.286 14.820 1.00 0.00 N ATOM 0 H ARG A 44 0.879 -8.594 8.808 1.00 0.00 H new ATOM 0 HA ARG A 44 3.038 -7.115 10.188 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.382 -9.463 11.103 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.060 -9.361 11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.331 -6.865 12.263 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.748 -7.612 12.352 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.185 -8.778 13.743 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.137 -7.601 14.509 1.00 0.00 H new ATOM 0 HE ARG A 44 1.610 -10.417 14.184 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.059 -7.247 14.183 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.507 -7.885 14.695 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.404 -11.230 14.840 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.769 -10.130 15.066 1.00 0.00 H new ATOM 714 N LEU A 45 4.437 -8.274 8.463 1.00 0.00 N ATOM 715 CA LEU A 45 5.412 -8.981 7.639 1.00 0.00 C ATOM 716 C LEU A 45 6.633 -9.380 8.462 1.00 0.00 C ATOM 717 O LEU A 45 7.126 -8.620 9.295 1.00 0.00 O ATOM 718 CB LEU A 45 5.841 -8.107 6.460 1.00 0.00 C ATOM 719 CG LEU A 45 6.951 -8.673 5.573 1.00 0.00 C ATOM 720 CD1 LEU A 45 6.363 -9.532 4.465 1.00 0.00 C ATOM 721 CD2 LEU A 45 7.794 -7.549 4.989 1.00 0.00 C ATOM 0 H LEU A 45 4.543 -7.260 8.465 1.00 0.00 H new ATOM 0 HA LEU A 45 4.941 -9.888 7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.967 -7.918 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.170 -7.143 6.849 1.00 0.00 H new ATOM 0 HG LEU A 45 7.596 -9.301 6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.168 -9.926 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.805 -10.359 4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.694 -8.928 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.578 -7.971 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.162 -6.894 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.246 -6.975 5.798 1.00 0.00 H new ATOM 733 N PRO A 46 7.134 -10.601 8.223 1.00 0.00 N ATOM 734 CA PRO A 46 8.306 -11.128 8.929 1.00 0.00 C ATOM 735 C PRO A 46 9.593 -10.414 8.531 1.00 0.00 C ATOM 736 O PRO A 46 9.865 -10.219 7.347 1.00 0.00 O ATOM 737 CB PRO A 46 8.352 -12.595 8.494 1.00 0.00 C ATOM 738 CG PRO A 46 7.661 -12.621 7.174 1.00 0.00 C ATOM 739 CD PRO A 46 6.597 -11.560 7.243 1.00 0.00 C ATOM 0 HA PRO A 46 8.227 -10.991 10.007 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.379 -12.951 8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.850 -13.238 9.217 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.361 -12.420 6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.223 -13.601 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.432 -11.093 6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.640 -11.971 7.566 1.00 0.00 H new ATOM 747 N SER A 47 10.381 -10.025 9.529 1.00 0.00 N ATOM 748 CA SER A 47 11.638 -9.329 9.282 1.00 0.00 C ATOM 749 C SER A 47 12.693 -10.288 8.738 1.00 0.00 C ATOM 750 O SER A 47 12.484 -11.501 8.700 1.00 0.00 O ATOM 751 CB SER A 47 12.144 -8.675 10.569 1.00 0.00 C ATOM 752 OG SER A 47 11.295 -7.613 10.969 1.00 0.00 O ATOM 0 H SER A 47 10.171 -10.180 10.515 1.00 0.00 H new ATOM 0 HA SER A 47 11.456 -8.556 8.536 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.198 -9.420 11.363 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.155 -8.298 10.416 1.00 0.00 H new ATOM 0 HG SER A 47 11.639 -7.213 11.795 1.00 0.00 H new ATOM 758 N ARG A 48 13.826 -9.735 8.318 1.00 0.00 N ATOM 759 CA ARG A 48 14.913 -10.540 7.774 1.00 0.00 C ATOM 760 C ARG A 48 15.230 -11.717 8.693 1.00 0.00 C ATOM 761 O ARG A 48 15.593 -12.798 8.230 1.00 0.00 O ATOM 762 CB ARG A 48 16.163 -9.681 7.578 1.00 0.00 C ATOM 763 CG ARG A 48 16.694 -9.075 8.867 1.00 0.00 C ATOM 764 CD ARG A 48 18.074 -8.466 8.670 1.00 0.00 C ATOM 765 NE ARG A 48 19.088 -9.483 8.404 1.00 0.00 N ATOM 766 CZ ARG A 48 20.296 -9.209 7.925 1.00 0.00 C ATOM 767 NH1 ARG A 48 20.639 -7.956 7.662 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.164 -10.190 7.710 1.00 0.00 N ATOM 0 H ARG A 48 14.015 -8.733 8.344 1.00 0.00 H new ATOM 0 HA ARG A 48 14.594 -10.931 6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.945 -10.290 7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 48 15.936 -8.879 6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 48 16.004 -8.309 9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 48 16.741 -9.843 9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 48 18.043 -7.759 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.352 -7.901 9.560 1.00 0.00 H new ATOM 0 HE ARG A 48 18.856 -10.457 8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 48 19.975 -7.200 7.827 1.00 0.00 H new ATOM 0 HH12 ARG A 48 21.567 -7.748 7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 48 20.903 -11.155 7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 48 22.092 -9.979 7.342 1.00 0.00 H new ATOM 782 N SER A 49 15.092 -11.497 9.996 1.00 0.00 N ATOM 783 CA SER A 49 15.368 -12.538 10.980 1.00 0.00 C ATOM 784 C SER A 49 14.208 -13.526 11.066 1.00 0.00 C ATOM 785 O SER A 49 14.388 -14.728 10.874 1.00 0.00 O ATOM 786 CB SER A 49 15.625 -11.915 12.354 1.00 0.00 C ATOM 787 OG SER A 49 16.974 -11.503 12.482 1.00 0.00 O ATOM 0 H SER A 49 14.791 -10.608 10.395 1.00 0.00 H new ATOM 0 HA SER A 49 16.259 -13.078 10.661 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.965 -11.060 12.498 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.386 -12.637 13.135 1.00 0.00 H new ATOM 0 HG SER A 49 17.112 -11.107 13.368 1.00 0.00 H new ATOM 793 N GLU A 50 13.018 -13.008 11.356 1.00 0.00 N ATOM 794 CA GLU A 50 11.829 -13.845 11.468 1.00 0.00 C ATOM 795 C GLU A 50 11.863 -14.978 10.447 1.00 0.00 C ATOM 796 O GLU A 50 11.608 -16.136 10.779 1.00 0.00 O ATOM 797 CB GLU A 50 10.566 -13.003 11.271 1.00 0.00 C ATOM 798 CG GLU A 50 10.242 -12.106 12.454 1.00 0.00 C ATOM 799 CD GLU A 50 9.602 -12.863 13.602 1.00 0.00 C ATOM 800 OE1 GLU A 50 8.359 -12.984 13.612 1.00 0.00 O ATOM 801 OE2 GLU A 50 10.344 -13.333 14.490 1.00 0.00 O ATOM 0 H GLU A 50 12.852 -12.015 11.517 1.00 0.00 H new ATOM 0 HA GLU A 50 11.815 -14.281 12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.686 -12.386 10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.722 -13.667 11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.157 -11.628 12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.571 -11.311 12.129 1.00 0.00 H new ATOM 808 N LEU A 51 12.178 -14.636 9.203 1.00 0.00 N ATOM 809 CA LEU A 51 12.245 -15.623 8.131 1.00 0.00 C ATOM 810 C LEU A 51 13.321 -15.253 7.116 1.00 0.00 C ATOM 811 O LEU A 51 13.195 -14.286 6.365 1.00 0.00 O ATOM 812 CB LEU A 51 10.888 -15.741 7.434 1.00 0.00 C ATOM 813 CG LEU A 51 10.709 -16.949 6.513 1.00 0.00 C ATOM 814 CD1 LEU A 51 10.551 -18.222 7.329 1.00 0.00 C ATOM 815 CD2 LEU A 51 9.511 -16.748 5.597 1.00 0.00 C ATOM 0 H LEU A 51 12.391 -13.682 8.911 1.00 0.00 H new ATOM 0 HA LEU A 51 12.505 -16.585 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.111 -15.774 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.722 -14.836 6.849 1.00 0.00 H new ATOM 0 HG LEU A 51 11.601 -17.046 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.425 -19.071 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.439 -18.373 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.676 -18.135 7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.399 -17.617 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.610 -16.625 6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.665 -15.858 4.987 1.00 0.00 H new ATOM 827 N PRO A 52 14.406 -16.042 7.089 1.00 0.00 N ATOM 828 CA PRO A 52 15.524 -15.819 6.168 1.00 0.00 C ATOM 829 C PRO A 52 15.151 -16.116 4.719 1.00 0.00 C ATOM 830 O PRO A 52 15.655 -15.479 3.795 1.00 0.00 O ATOM 831 CB PRO A 52 16.589 -16.803 6.658 1.00 0.00 C ATOM 832 CG PRO A 52 15.822 -17.882 7.342 1.00 0.00 C ATOM 833 CD PRO A 52 14.623 -17.213 7.955 1.00 0.00 C ATOM 0 HA PRO A 52 15.851 -14.779 6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.174 -17.199 5.828 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.289 -16.321 7.341 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.519 -18.654 6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.429 -18.369 8.105 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.755 -17.873 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.811 -16.920 8.988 1.00 0.00 H new ATOM 841 N ASP A 53 14.265 -17.088 4.530 1.00 0.00 N ATOM 842 CA ASP A 53 13.823 -17.469 3.193 1.00 0.00 C ATOM 843 C ASP A 53 13.116 -16.307 2.503 1.00 0.00 C ATOM 844 O ASP A 53 13.633 -15.734 1.544 1.00 0.00 O ATOM 845 CB ASP A 53 12.889 -18.678 3.267 1.00 0.00 C ATOM 846 CG ASP A 53 12.904 -19.499 1.992 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.912 -20.193 1.745 1.00 0.00 O ATOM 848 OD2 ASP A 53 11.906 -19.448 1.242 1.00 0.00 O ATOM 0 H ASP A 53 13.839 -17.626 5.285 1.00 0.00 H new ATOM 0 HA ASP A 53 14.703 -17.735 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.182 -19.309 4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.873 -18.337 3.464 1.00 0.00 H new ATOM 853 N TYR A 54 11.931 -15.965 2.996 1.00 0.00 N ATOM 854 CA TYR A 54 11.151 -14.874 2.424 1.00 0.00 C ATOM 855 C TYR A 54 12.033 -13.660 2.147 1.00 0.00 C ATOM 856 O TYR A 54 11.763 -12.877 1.237 1.00 0.00 O ATOM 857 CB TYR A 54 10.011 -14.485 3.367 1.00 0.00 C ATOM 858 CG TYR A 54 9.108 -13.407 2.813 1.00 0.00 C ATOM 859 CD1 TYR A 54 9.542 -12.090 2.718 1.00 0.00 C ATOM 860 CD2 TYR A 54 7.820 -13.704 2.385 1.00 0.00 C ATOM 861 CE1 TYR A 54 8.720 -11.101 2.213 1.00 0.00 C ATOM 862 CE2 TYR A 54 6.991 -12.722 1.877 1.00 0.00 C ATOM 863 CZ TYR A 54 7.446 -11.422 1.793 1.00 0.00 C ATOM 864 OH TYR A 54 6.623 -10.441 1.290 1.00 0.00 O ATOM 0 H TYR A 54 11.489 -16.428 3.791 1.00 0.00 H new ATOM 0 HA TYR A 54 10.731 -15.219 1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.414 -15.370 3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.433 -14.143 4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.539 -11.835 3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.460 -14.720 2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.073 -10.082 2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.993 -12.971 1.548 1.00 0.00 H new ATOM 0 HH TYR A 54 5.761 -10.834 1.039 1.00 0.00 H new ATOM 874 N TYR A 55 13.089 -13.512 2.939 1.00 0.00 N ATOM 875 CA TYR A 55 14.012 -12.394 2.782 1.00 0.00 C ATOM 876 C TYR A 55 14.994 -12.654 1.644 1.00 0.00 C ATOM 877 O TYR A 55 15.429 -11.727 0.959 1.00 0.00 O ATOM 878 CB TYR A 55 14.777 -12.150 4.084 1.00 0.00 C ATOM 879 CG TYR A 55 15.233 -10.719 4.258 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.343 -9.662 4.113 1.00 0.00 C ATOM 881 CD2 TYR A 55 16.555 -10.424 4.569 1.00 0.00 C ATOM 882 CE1 TYR A 55 14.756 -8.353 4.271 1.00 0.00 C ATOM 883 CE2 TYR A 55 16.977 -9.119 4.730 1.00 0.00 C ATOM 884 CZ TYR A 55 16.074 -8.087 4.580 1.00 0.00 C ATOM 885 OH TYR A 55 16.489 -6.785 4.739 1.00 0.00 O ATOM 0 H TYR A 55 13.327 -14.152 3.696 1.00 0.00 H new ATOM 0 HA TYR A 55 13.429 -11.506 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 55 14.142 -12.425 4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 55 15.647 -12.806 4.113 1.00 0.00 H new ATOM 0 HD1 TYR A 55 13.310 -9.867 3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.265 -11.229 4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.051 -7.543 4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 55 18.008 -8.908 4.972 1.00 0.00 H new ATOM 0 HH TYR A 55 17.445 -6.770 4.955 1.00 0.00 H new ATOM 895 N LEU A 56 15.339 -13.922 1.446 1.00 0.00 N ATOM 896 CA LEU A 56 16.269 -14.306 0.390 1.00 0.00 C ATOM 897 C LEU A 56 15.616 -14.181 -0.982 1.00 0.00 C ATOM 898 O LEU A 56 16.265 -13.805 -1.959 1.00 0.00 O ATOM 899 CB LEU A 56 16.754 -15.741 0.609 1.00 0.00 C ATOM 900 CG LEU A 56 15.932 -16.838 -0.069 1.00 0.00 C ATOM 901 CD1 LEU A 56 16.362 -17.009 -1.518 1.00 0.00 C ATOM 902 CD2 LEU A 56 16.068 -18.150 0.689 1.00 0.00 C ATOM 0 H LEU A 56 14.989 -14.701 2.003 1.00 0.00 H new ATOM 0 HA LEU A 56 17.123 -13.630 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.782 -15.814 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.771 -15.938 1.681 1.00 0.00 H new ATOM 0 HG LEU A 56 14.883 -16.541 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.766 -17.794 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.212 -16.072 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.416 -17.284 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.477 -18.920 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.115 -18.452 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.710 -18.019 1.710 1.00 0.00 H new ATOM 914 N THR A 57 14.327 -14.498 -1.050 1.00 0.00 N ATOM 915 CA THR A 57 13.585 -14.420 -2.302 1.00 0.00 C ATOM 916 C THR A 57 13.215 -12.979 -2.634 1.00 0.00 C ATOM 917 O THR A 57 13.570 -12.466 -3.695 1.00 0.00 O ATOM 918 CB THR A 57 12.301 -15.269 -2.248 1.00 0.00 C ATOM 919 OG1 THR A 57 12.632 -16.662 -2.272 1.00 0.00 O ATOM 920 CG2 THR A 57 11.385 -14.940 -3.418 1.00 0.00 C ATOM 0 H THR A 57 13.775 -14.811 -0.252 1.00 0.00 H new ATOM 0 HA THR A 57 14.239 -14.812 -3.081 1.00 0.00 H new ATOM 0 HB THR A 57 11.778 -15.037 -1.320 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.810 -17.194 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.485 -15.552 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.110 -13.886 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.903 -15.146 -4.355 1.00 0.00 H new ATOM 928 N ILE A 58 12.501 -12.331 -1.720 1.00 0.00 N ATOM 929 CA ILE A 58 12.085 -10.948 -1.915 1.00 0.00 C ATOM 930 C ILE A 58 13.106 -9.979 -1.328 1.00 0.00 C ATOM 931 O ILE A 58 13.384 -10.003 -0.129 1.00 0.00 O ATOM 932 CB ILE A 58 10.710 -10.678 -1.276 1.00 0.00 C ATOM 933 CG1 ILE A 58 9.617 -11.444 -2.023 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.412 -9.186 -1.273 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.486 -11.046 -3.477 1.00 0.00 C ATOM 0 H ILE A 58 12.198 -12.742 -0.837 1.00 0.00 H new ATOM 0 HA ILE A 58 12.013 -10.789 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 58 10.730 -11.027 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.828 -12.512 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.663 -11.280 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.437 -9.011 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.178 -8.663 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.407 -8.814 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.692 -11.629 -3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.244 -9.985 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.427 -11.236 -3.993 1.00 0.00 H new ATOM 947 N LYS A 59 13.660 -9.124 -2.181 1.00 0.00 N ATOM 948 CA LYS A 59 14.648 -8.143 -1.748 1.00 0.00 C ATOM 949 C LYS A 59 13.969 -6.899 -1.184 1.00 0.00 C ATOM 950 O LYS A 59 14.441 -6.308 -0.213 1.00 0.00 O ATOM 951 CB LYS A 59 15.558 -7.755 -2.916 1.00 0.00 C ATOM 952 CG LYS A 59 14.859 -6.928 -3.982 1.00 0.00 C ATOM 953 CD LYS A 59 14.958 -5.441 -3.688 1.00 0.00 C ATOM 954 CE LYS A 59 16.228 -4.841 -4.272 1.00 0.00 C ATOM 955 NZ LYS A 59 16.559 -3.529 -3.650 1.00 0.00 N ATOM 0 H LYS A 59 13.441 -9.091 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 59 15.251 -8.595 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.409 -7.193 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.955 -8.661 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.303 -7.138 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.810 -7.219 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.089 -4.929 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.941 -5.280 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.058 -5.532 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.108 -4.713 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.431 -3.153 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.779 -2.861 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.699 -3.655 -2.627 1.00 0.00 H new ATOM 969 N LYS A 60 12.858 -6.508 -1.798 1.00 0.00 N ATOM 970 CA LYS A 60 12.111 -5.336 -1.356 1.00 0.00 C ATOM 971 C LYS A 60 10.805 -5.746 -0.681 1.00 0.00 C ATOM 972 O LYS A 60 9.714 -5.552 -1.218 1.00 0.00 O ATOM 973 CB LYS A 60 11.817 -4.415 -2.542 1.00 0.00 C ATOM 974 CG LYS A 60 11.364 -5.155 -3.789 1.00 0.00 C ATOM 975 CD LYS A 60 10.690 -4.220 -4.778 1.00 0.00 C ATOM 976 CE LYS A 60 9.853 -4.988 -5.790 1.00 0.00 C ATOM 977 NZ LYS A 60 9.779 -4.282 -7.099 1.00 0.00 N ATOM 0 H LYS A 60 12.454 -6.986 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 60 12.722 -4.799 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.046 -3.700 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.713 -3.840 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.223 -5.630 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.673 -5.951 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.056 -3.515 -4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.447 -3.634 -5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.280 -5.980 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.846 -5.129 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.200 -4.837 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.348 -3.345 -6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.737 -4.170 -7.487 1.00 0.00 H new ATOM 991 N PRO A 61 10.917 -6.325 0.523 1.00 0.00 N ATOM 992 CA PRO A 61 9.755 -6.771 1.297 1.00 0.00 C ATOM 993 C PRO A 61 8.927 -5.605 1.826 1.00 0.00 C ATOM 994 O PRO A 61 9.202 -5.073 2.901 1.00 0.00 O ATOM 995 CB PRO A 61 10.379 -7.552 2.456 1.00 0.00 C ATOM 996 CG PRO A 61 11.746 -6.978 2.607 1.00 0.00 C ATOM 997 CD PRO A 61 12.186 -6.587 1.223 1.00 0.00 C ATOM 0 HA PRO A 61 9.064 -7.358 0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.797 -7.435 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.420 -8.619 2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.735 -6.114 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.429 -7.707 3.042 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.826 -5.705 1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.753 -7.383 0.742 1.00 0.00 H new ATOM 1005 N MET A 62 7.912 -5.212 1.063 1.00 0.00 N ATOM 1006 CA MET A 62 7.043 -4.109 1.456 1.00 0.00 C ATOM 1007 C MET A 62 5.844 -4.617 2.250 1.00 0.00 C ATOM 1008 O MET A 62 5.143 -5.531 1.816 1.00 0.00 O ATOM 1009 CB MET A 62 6.564 -3.343 0.221 1.00 0.00 C ATOM 1010 CG MET A 62 5.331 -2.491 0.475 1.00 0.00 C ATOM 1011 SD MET A 62 5.121 -1.190 -0.755 1.00 0.00 S ATOM 1012 CE MET A 62 6.510 -0.128 -0.366 1.00 0.00 C ATOM 0 H MET A 62 7.671 -5.641 0.169 1.00 0.00 H new ATOM 0 HA MET A 62 7.618 -3.436 2.092 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.371 -2.703 -0.135 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.346 -4.054 -0.576 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.447 -3.129 0.478 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.402 -2.041 1.465 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.146 0.863 -0.096 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.068 -0.550 0.470 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.163 -0.050 -1.235 1.00 0.00 H new ATOM 1022 N ASP A 63 5.616 -4.021 3.415 1.00 0.00 N ATOM 1023 CA ASP A 63 4.501 -4.414 4.270 1.00 0.00 C ATOM 1024 C ASP A 63 3.542 -3.246 4.482 1.00 0.00 C ATOM 1025 O ASP A 63 3.923 -2.084 4.341 1.00 0.00 O ATOM 1026 CB ASP A 63 5.017 -4.918 5.618 1.00 0.00 C ATOM 1027 CG ASP A 63 6.017 -3.968 6.248 1.00 0.00 C ATOM 1028 OD1 ASP A 63 6.967 -3.558 5.548 1.00 0.00 O ATOM 1029 OD2 ASP A 63 5.850 -3.635 7.440 1.00 0.00 O ATOM 0 H ASP A 63 6.188 -3.264 3.789 1.00 0.00 H new ATOM 0 HA ASP A 63 3.960 -5.220 3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.175 -5.057 6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.483 -5.894 5.483 1.00 0.00 H new ATOM 1034 N MET A 64 2.297 -3.564 4.822 1.00 0.00 N ATOM 1035 CA MET A 64 1.284 -2.541 5.054 1.00 0.00 C ATOM 1036 C MET A 64 1.753 -1.540 6.104 1.00 0.00 C ATOM 1037 O MET A 64 1.727 -0.331 5.877 1.00 0.00 O ATOM 1038 CB MET A 64 -0.030 -3.186 5.499 1.00 0.00 C ATOM 1039 CG MET A 64 -0.875 -3.702 4.345 1.00 0.00 C ATOM 1040 SD MET A 64 -2.611 -3.899 4.789 1.00 0.00 S ATOM 1041 CE MET A 64 -3.113 -2.189 4.963 1.00 0.00 C ATOM 0 H MET A 64 1.966 -4.521 4.943 1.00 0.00 H new ATOM 0 HA MET A 64 1.120 -2.008 4.117 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.191 -4.012 6.175 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.610 -2.457 6.065 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.795 -3.013 3.505 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.479 -4.660 4.010 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.299 -1.970 6.014 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.322 -1.538 4.591 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.024 -2.017 4.390 1.00 0.00 H new ATOM 1051 N GLU A 65 2.182 -2.052 7.254 1.00 0.00 N ATOM 1052 CA GLU A 65 2.656 -1.200 8.339 1.00 0.00 C ATOM 1053 C GLU A 65 3.549 -0.084 7.805 1.00 0.00 C ATOM 1054 O GLU A 65 3.496 1.050 8.280 1.00 0.00 O ATOM 1055 CB GLU A 65 3.421 -2.031 9.371 1.00 0.00 C ATOM 1056 CG GLU A 65 2.548 -3.017 10.129 1.00 0.00 C ATOM 1057 CD GLU A 65 1.904 -2.402 11.357 1.00 0.00 C ATOM 1058 OE1 GLU A 65 1.538 -1.210 11.302 1.00 0.00 O ATOM 1059 OE2 GLU A 65 1.767 -3.115 12.373 1.00 0.00 O ATOM 0 H GLU A 65 2.211 -3.051 7.458 1.00 0.00 H new ATOM 0 HA GLU A 65 1.787 -0.748 8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.217 -2.578 8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.898 -1.359 10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.770 -3.393 9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.151 -3.874 10.430 1.00 0.00 H new ATOM 1066 N LYS A 66 4.369 -0.415 6.813 1.00 0.00 N ATOM 1067 CA LYS A 66 5.274 0.558 6.212 1.00 0.00 C ATOM 1068 C LYS A 66 4.499 1.739 5.637 1.00 0.00 C ATOM 1069 O LYS A 66 4.575 2.854 6.155 1.00 0.00 O ATOM 1070 CB LYS A 66 6.108 -0.102 5.112 1.00 0.00 C ATOM 1071 CG LYS A 66 7.266 0.754 4.629 1.00 0.00 C ATOM 1072 CD LYS A 66 8.334 -0.086 3.948 1.00 0.00 C ATOM 1073 CE LYS A 66 9.431 0.784 3.353 1.00 0.00 C ATOM 1074 NZ LYS A 66 9.047 1.326 2.020 1.00 0.00 N ATOM 0 H LYS A 66 4.425 -1.350 6.408 1.00 0.00 H new ATOM 0 HA LYS A 66 5.940 0.928 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.498 -1.050 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.461 -0.333 4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.897 1.508 3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.704 1.286 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.768 -0.779 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.879 -0.688 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.649 1.609 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.346 0.200 3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.821 1.913 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.864 0.539 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.188 1.905 2.115 1.00 0.00 H new ATOM 1088 N ILE A 67 3.753 1.488 4.567 1.00 0.00 N ATOM 1089 CA ILE A 67 2.963 2.530 3.925 1.00 0.00 C ATOM 1090 C ILE A 67 2.344 3.466 4.958 1.00 0.00 C ATOM 1091 O ILE A 67 2.362 4.686 4.794 1.00 0.00 O ATOM 1092 CB ILE A 67 1.842 1.932 3.055 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.437 1.065 1.943 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.979 3.039 2.467 1.00 0.00 C ATOM 1095 CD1 ILE A 67 1.540 -0.078 1.522 1.00 0.00 C ATOM 0 H ILE A 67 3.679 0.571 4.126 1.00 0.00 H new ATOM 0 HA ILE A 67 3.644 3.094 3.288 1.00 0.00 H new ATOM 0 HB ILE A 67 1.212 1.302 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.644 1.692 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.392 0.662 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.191 2.600 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.531 3.618 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.596 3.693 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.026 -0.649 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.353 -0.728 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.594 0.319 1.154 1.00 0.00 H new ATOM 1107 N ARG A 68 1.800 2.886 6.022 1.00 0.00 N ATOM 1108 CA ARG A 68 1.176 3.668 7.083 1.00 0.00 C ATOM 1109 C ARG A 68 2.172 4.653 7.689 1.00 0.00 C ATOM 1110 O ARG A 68 2.021 5.867 7.553 1.00 0.00 O ATOM 1111 CB ARG A 68 0.628 2.745 8.172 1.00 0.00 C ATOM 1112 CG ARG A 68 0.208 3.476 9.437 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.676 2.606 10.316 1.00 0.00 C ATOM 1114 NE ARG A 68 -0.694 3.067 11.701 1.00 0.00 N ATOM 1115 CZ ARG A 68 0.355 2.998 12.513 1.00 0.00 C ATOM 1116 NH1 ARG A 68 1.500 2.489 12.079 1.00 0.00 N ATOM 1117 NH2 ARG A 68 0.261 3.439 13.761 1.00 0.00 N ATOM 0 H ARG A 68 1.778 1.877 6.173 1.00 0.00 H new ATOM 0 HA ARG A 68 0.352 4.233 6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.229 2.200 7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.387 2.005 8.425 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.094 3.777 9.996 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.327 4.388 9.171 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.692 2.606 9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.320 1.576 10.281 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.560 3.464 12.065 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.576 2.150 11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.304 2.437 12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.618 3.832 14.098 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.068 3.385 14.383 1.00 0.00 H new ATOM 1131 N SER A 69 3.189 4.121 8.360 1.00 0.00 N ATOM 1132 CA SER A 69 4.207 4.953 8.991 1.00 0.00 C ATOM 1133 C SER A 69 4.667 6.058 8.046 1.00 0.00 C ATOM 1134 O SER A 69 5.207 7.077 8.480 1.00 0.00 O ATOM 1135 CB SER A 69 5.402 4.098 9.416 1.00 0.00 C ATOM 1136 OG SER A 69 6.443 4.903 9.942 1.00 0.00 O ATOM 0 H SER A 69 3.330 3.118 8.481 1.00 0.00 H new ATOM 0 HA SER A 69 3.768 5.415 9.875 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.086 3.372 10.165 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.772 3.533 8.560 1.00 0.00 H new ATOM 0 HG SER A 69 7.195 4.333 10.208 1.00 0.00 H new ATOM 1142 N HIS A 70 4.450 5.850 6.752 1.00 0.00 N ATOM 1143 CA HIS A 70 4.842 6.829 5.744 1.00 0.00 C ATOM 1144 C HIS A 70 3.750 7.877 5.550 1.00 0.00 C ATOM 1145 O HIS A 70 4.000 9.077 5.667 1.00 0.00 O ATOM 1146 CB HIS A 70 5.138 6.133 4.415 1.00 0.00 C ATOM 1147 CG HIS A 70 6.568 5.715 4.264 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.672 6.064 4.965 1.00 0.00 N flip ATOM 1149 CD2 HIS A 70 6.996 4.832 3.294 1.00 0.00 C flip ATOM 1150 CE1 HIS A 70 8.735 5.392 4.413 1.00 0.00 C flip ATOM 1151 NE2 HIS A 70 8.300 4.656 3.407 1.00 0.00 N flip ATOM 0 H HIS A 70 4.005 5.013 6.376 1.00 0.00 H new ATOM 0 HA HIS A 70 5.745 7.331 6.093 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.500 5.254 4.324 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.876 6.803 3.597 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.364 4.359 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.760 5.455 4.747 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.874 4.054 2.817 1.00 0.00 H new ATOM 1160 N MET A 71 2.540 7.416 5.254 1.00 0.00 N ATOM 1161 CA MET A 71 1.410 8.314 5.045 1.00 0.00 C ATOM 1162 C MET A 71 1.394 9.421 6.095 1.00 0.00 C ATOM 1163 O MET A 71 1.181 10.590 5.774 1.00 0.00 O ATOM 1164 CB MET A 71 0.095 7.533 5.091 1.00 0.00 C ATOM 1165 CG MET A 71 -0.518 7.456 6.480 1.00 0.00 C ATOM 1166 SD MET A 71 -2.204 6.816 6.460 1.00 0.00 S ATOM 1167 CE MET A 71 -1.900 5.058 6.618 1.00 0.00 C ATOM 0 H MET A 71 2.316 6.426 5.153 1.00 0.00 H new ATOM 0 HA MET A 71 1.519 8.771 4.062 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.619 8.000 4.413 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.269 6.522 4.723 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.101 6.819 7.111 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.516 8.449 6.930 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.823 4.553 6.904 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.551 4.662 5.664 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.141 4.887 7.382 1.00 0.00 H new ATOM 1177 N MET A 72 1.621 9.045 7.349 1.00 0.00 N ATOM 1178 CA MET A 72 1.634 10.007 8.445 1.00 0.00 C ATOM 1179 C MET A 72 2.794 10.986 8.295 1.00 0.00 C ATOM 1180 O MET A 72 2.692 12.147 8.689 1.00 0.00 O ATOM 1181 CB MET A 72 1.734 9.281 9.788 1.00 0.00 C ATOM 1182 CG MET A 72 0.624 8.267 10.015 1.00 0.00 C ATOM 1183 SD MET A 72 -0.864 9.010 10.710 1.00 0.00 S ATOM 1184 CE MET A 72 -2.044 8.695 9.400 1.00 0.00 C ATOM 0 H MET A 72 1.798 8.081 7.632 1.00 0.00 H new ATOM 0 HA MET A 72 0.701 10.569 8.413 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.697 8.773 9.846 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.713 10.017 10.592 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.377 7.786 9.068 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.982 7.486 10.685 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.021 9.081 9.690 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.714 9.190 8.487 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.116 7.621 9.225 1.00 0.00 H new ATOM 1194 N ALA A 73 3.895 10.509 7.724 1.00 0.00 N ATOM 1195 CA ALA A 73 5.073 11.343 7.522 1.00 0.00 C ATOM 1196 C ALA A 73 4.960 12.148 6.232 1.00 0.00 C ATOM 1197 O ALA A 73 5.967 12.552 5.651 1.00 0.00 O ATOM 1198 CB ALA A 73 6.330 10.486 7.502 1.00 0.00 C ATOM 0 H ALA A 73 3.996 9.549 7.393 1.00 0.00 H new ATOM 0 HA ALA A 73 5.138 12.044 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.202 11.122 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.426 9.959 8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.264 9.762 6.690 1.00 0.00 H new ATOM 1204 N ASN A 74 3.728 12.378 5.789 1.00 0.00 N ATOM 1205 CA ASN A 74 3.484 13.135 4.566 1.00 0.00 C ATOM 1206 C ASN A 74 4.420 12.681 3.450 1.00 0.00 C ATOM 1207 O ASN A 74 4.875 13.488 2.639 1.00 0.00 O ATOM 1208 CB ASN A 74 3.667 14.632 4.823 1.00 0.00 C ATOM 1209 CG ASN A 74 5.023 14.954 5.421 1.00 0.00 C ATOM 1210 OD1 ASN A 74 5.094 14.978 6.747 1.00 0.00 O flip ATOM 1211 ND2 ASN A 74 5.995 15.180 4.699 1.00 0.00 N flip ATOM 0 H ASN A 74 2.883 12.051 6.258 1.00 0.00 H new ATOM 0 HA ASN A 74 2.457 12.950 4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.548 15.176 3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.884 14.981 5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.894 15.151 3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.900 15.396 5.116 1.00 0.00 H new ATOM 1218 N LYS A 75 4.703 11.383 3.414 1.00 0.00 N ATOM 1219 CA LYS A 75 5.583 10.820 2.397 1.00 0.00 C ATOM 1220 C LYS A 75 4.859 10.697 1.059 1.00 0.00 C ATOM 1221 O LYS A 75 5.373 11.122 0.024 1.00 0.00 O ATOM 1222 CB LYS A 75 6.094 9.447 2.839 1.00 0.00 C ATOM 1223 CG LYS A 75 6.827 9.471 4.169 1.00 0.00 C ATOM 1224 CD LYS A 75 8.294 9.824 3.991 1.00 0.00 C ATOM 1225 CE LYS A 75 8.497 11.328 3.892 1.00 0.00 C ATOM 1226 NZ LYS A 75 9.839 11.741 4.388 1.00 0.00 N ATOM 0 H LYS A 75 4.335 10.701 4.078 1.00 0.00 H new ATOM 0 HA LYS A 75 6.430 11.494 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.250 8.760 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.762 9.053 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.355 10.196 4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.742 8.497 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.868 9.433 4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.678 9.344 3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.381 11.643 2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.724 11.837 4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.938 12.773 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.941 11.464 5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.577 11.275 3.822 1.00 0.00 H new ATOM 1240 N TYR A 76 3.665 10.116 1.089 1.00 0.00 N ATOM 1241 CA TYR A 76 2.872 9.938 -0.122 1.00 0.00 C ATOM 1242 C TYR A 76 2.167 11.234 -0.507 1.00 0.00 C ATOM 1243 O TYR A 76 1.085 11.537 -0.005 1.00 0.00 O ATOM 1244 CB TYR A 76 1.843 8.824 0.078 1.00 0.00 C ATOM 1245 CG TYR A 76 2.460 7.461 0.296 1.00 0.00 C ATOM 1246 CD1 TYR A 76 3.080 6.783 -0.746 1.00 0.00 C ATOM 1247 CD2 TYR A 76 2.422 6.851 1.543 1.00 0.00 C ATOM 1248 CE1 TYR A 76 3.645 5.537 -0.552 1.00 0.00 C ATOM 1249 CE2 TYR A 76 2.985 5.606 1.747 1.00 0.00 C ATOM 1250 CZ TYR A 76 3.595 4.953 0.696 1.00 0.00 C ATOM 1251 OH TYR A 76 4.156 3.712 0.895 1.00 0.00 O ATOM 0 H TYR A 76 3.225 9.760 1.938 1.00 0.00 H new ATOM 0 HA TYR A 76 3.547 9.660 -0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.215 9.070 0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.191 8.783 -0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.121 7.238 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.944 7.359 2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.123 5.024 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.948 5.147 2.724 1.00 0.00 H new ATOM 0 HH TYR A 76 4.661 3.449 0.097 1.00 0.00 H new ATOM 1261 N GLN A 77 2.789 11.995 -1.402 1.00 0.00 N ATOM 1262 CA GLN A 77 2.221 13.259 -1.856 1.00 0.00 C ATOM 1263 C GLN A 77 0.775 13.077 -2.304 1.00 0.00 C ATOM 1264 O GLN A 77 -0.119 13.799 -1.860 1.00 0.00 O ATOM 1265 CB GLN A 77 3.054 13.834 -3.003 1.00 0.00 C ATOM 1266 CG GLN A 77 4.515 14.054 -2.643 1.00 0.00 C ATOM 1267 CD GLN A 77 5.333 14.564 -3.812 1.00 0.00 C ATOM 1268 OE1 GLN A 77 4.874 15.403 -4.588 1.00 0.00 O ATOM 1269 NE2 GLN A 77 6.555 14.060 -3.945 1.00 0.00 N ATOM 0 H GLN A 77 3.686 11.758 -1.827 1.00 0.00 H new ATOM 0 HA GLN A 77 2.237 13.957 -1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.996 13.159 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.619 14.783 -3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.579 14.767 -1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.943 13.117 -2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.896 13.367 -3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.152 14.367 -4.713 1.00 0.00 H new ATOM 1278 N ASP A 78 0.551 12.109 -3.186 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.787 11.832 -3.694 1.00 0.00 C ATOM 1280 C ASP A 78 -1.149 10.363 -3.498 1.00 0.00 C ATOM 1281 O ASP A 78 -0.272 9.514 -3.337 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.880 12.199 -5.176 1.00 0.00 C ATOM 1283 CG ASP A 78 0.291 11.667 -5.979 1.00 0.00 C ATOM 1284 OD1 ASP A 78 0.862 10.631 -5.578 1.00 0.00 O ATOM 1285 OD2 ASP A 78 0.636 12.286 -7.007 1.00 0.00 O ATOM 0 H ASP A 78 1.279 11.503 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.495 12.441 -3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.809 11.804 -5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.923 13.283 -5.277 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.445 10.071 -3.512 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.922 8.705 -3.336 1.00 0.00 C ATOM 1292 C ILE A 79 -2.167 7.738 -4.242 1.00 0.00 C ATOM 1293 O ILE A 79 -1.765 6.656 -3.814 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.430 8.593 -3.629 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.237 9.311 -2.545 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.844 7.132 -3.725 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.244 8.586 -1.218 1.00 0.00 C ATOM 0 H ILE A 79 -3.184 10.762 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.742 8.440 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.636 9.072 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.828 10.311 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.264 9.433 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.912 7.069 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.289 6.649 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.627 6.630 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.835 9.152 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.680 7.596 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.222 8.487 -0.852 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.976 8.136 -5.495 1.00 0.00 N ATOM 1310 CA ASP A 80 -1.266 7.306 -6.461 1.00 0.00 C ATOM 1311 C ASP A 80 -0.027 6.677 -5.830 1.00 0.00 C ATOM 1312 O ASP A 80 0.123 5.455 -5.819 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.865 8.136 -7.682 1.00 0.00 C ATOM 1314 CG ASP A 80 -0.471 7.274 -8.865 1.00 0.00 C ATOM 1315 OD1 ASP A 80 0.694 6.827 -8.911 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -1.328 7.046 -9.745 1.00 0.00 O ATOM 0 H ASP A 80 -2.303 9.028 -5.865 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.936 6.507 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.696 8.781 -7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.032 8.787 -7.417 1.00 0.00 H new ATOM 1321 N SER A 81 0.857 7.519 -5.307 1.00 0.00 N ATOM 1322 CA SER A 81 2.085 7.045 -4.679 1.00 0.00 C ATOM 1323 C SER A 81 1.800 5.873 -3.745 1.00 0.00 C ATOM 1324 O SER A 81 2.502 4.862 -3.768 1.00 0.00 O ATOM 1325 CB SER A 81 2.756 8.180 -3.902 1.00 0.00 C ATOM 1326 OG SER A 81 2.916 9.329 -4.715 1.00 0.00 O ATOM 0 H SER A 81 0.746 8.533 -5.305 1.00 0.00 H new ATOM 0 HA SER A 81 2.759 6.705 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.156 8.430 -3.027 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.729 7.850 -3.538 1.00 0.00 H new ATOM 0 HG SER A 81 2.091 9.858 -4.700 1.00 0.00 H new ATOM 1332 N MET A 82 0.765 6.017 -2.924 1.00 0.00 N ATOM 1333 CA MET A 82 0.386 4.970 -1.982 1.00 0.00 C ATOM 1334 C MET A 82 -0.131 3.738 -2.718 1.00 0.00 C ATOM 1335 O MET A 82 0.014 2.612 -2.242 1.00 0.00 O ATOM 1336 CB MET A 82 -0.682 5.486 -1.016 1.00 0.00 C ATOM 1337 CG MET A 82 -0.716 4.738 0.307 1.00 0.00 C ATOM 1338 SD MET A 82 -1.944 5.402 1.449 1.00 0.00 S ATOM 1339 CE MET A 82 -3.447 4.695 0.777 1.00 0.00 C ATOM 0 H MET A 82 0.174 6.848 -2.892 1.00 0.00 H new ATOM 0 HA MET A 82 1.273 4.688 -1.415 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.504 6.544 -0.822 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.659 5.409 -1.493 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.931 3.686 0.120 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.269 4.784 0.772 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.154 4.508 1.585 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.888 5.390 0.062 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.214 3.756 0.274 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.734 3.959 -3.882 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.272 2.867 -4.684 1.00 0.00 C ATOM 1351 C VAL A 83 -0.153 2.028 -5.290 1.00 0.00 C ATOM 1352 O VAL A 83 -0.024 0.840 -4.994 1.00 0.00 O ATOM 1353 CB VAL A 83 -2.175 3.393 -5.815 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.673 2.244 -6.679 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.341 4.183 -5.242 1.00 0.00 C ATOM 0 H VAL A 83 -0.862 4.885 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.867 2.245 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.587 4.061 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.309 2.635 -7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.822 1.724 -7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.245 1.548 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.969 4.547 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.931 3.540 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.961 5.030 -4.670 1.00 0.00 H new ATOM 1365 N GLU A 84 0.655 2.654 -6.141 1.00 0.00 N ATOM 1366 CA GLU A 84 1.764 1.964 -6.789 1.00 0.00 C ATOM 1367 C GLU A 84 2.467 1.026 -5.812 1.00 0.00 C ATOM 1368 O GLU A 84 2.982 -0.022 -6.203 1.00 0.00 O ATOM 1369 CB GLU A 84 2.764 2.975 -7.351 1.00 0.00 C ATOM 1370 CG GLU A 84 3.229 4.002 -6.332 1.00 0.00 C ATOM 1371 CD GLU A 84 4.428 4.798 -6.812 1.00 0.00 C ATOM 1372 OE1 GLU A 84 4.346 5.391 -7.908 1.00 0.00 O ATOM 1373 OE2 GLU A 84 5.447 4.829 -6.091 1.00 0.00 O ATOM 0 H GLU A 84 0.562 3.637 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 84 1.359 1.370 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.632 2.439 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.309 3.493 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.409 4.685 -6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.483 3.495 -5.401 1.00 0.00 H new ATOM 1380 N ASP A 85 2.483 1.410 -4.541 1.00 0.00 N ATOM 1381 CA ASP A 85 3.122 0.604 -3.507 1.00 0.00 C ATOM 1382 C ASP A 85 2.350 -0.690 -3.272 1.00 0.00 C ATOM 1383 O ASP A 85 2.821 -1.777 -3.608 1.00 0.00 O ATOM 1384 CB ASP A 85 3.223 1.396 -2.202 1.00 0.00 C ATOM 1385 CG ASP A 85 4.270 2.491 -2.269 1.00 0.00 C ATOM 1386 OD1 ASP A 85 4.448 3.075 -3.358 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.911 2.763 -1.232 1.00 0.00 O ATOM 0 H ASP A 85 2.061 2.274 -4.201 1.00 0.00 H new ATOM 0 HA ASP A 85 4.126 0.350 -3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.253 1.838 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.465 0.716 -1.385 1.00 0.00 H new ATOM 1392 N PHE A 86 1.161 -0.567 -2.692 1.00 0.00 N ATOM 1393 CA PHE A 86 0.323 -1.727 -2.410 1.00 0.00 C ATOM 1394 C PHE A 86 0.405 -2.745 -3.543 1.00 0.00 C ATOM 1395 O PHE A 86 0.265 -3.949 -3.323 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.130 -1.296 -2.201 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.460 -0.973 -0.772 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.901 -1.963 0.092 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.329 0.320 -0.292 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.205 -1.669 1.408 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -1.631 0.619 1.023 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.071 -0.376 1.874 1.00 0.00 C ATOM 0 H PHE A 86 0.756 0.325 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 86 0.690 -2.195 -1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.334 -0.422 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.790 -2.092 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.008 -2.976 -0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.987 1.103 -0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.547 -2.450 2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.523 1.631 1.385 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.310 -0.143 2.901 1.00 0.00 H new ATOM 1412 N VAL A 87 0.633 -2.254 -4.757 1.00 0.00 N ATOM 1413 CA VAL A 87 0.734 -3.119 -5.926 1.00 0.00 C ATOM 1414 C VAL A 87 1.979 -3.997 -5.854 1.00 0.00 C ATOM 1415 O VAL A 87 1.884 -5.221 -5.769 1.00 0.00 O ATOM 1416 CB VAL A 87 0.772 -2.300 -7.230 1.00 0.00 C ATOM 1417 CG1 VAL A 87 0.952 -3.216 -8.431 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.491 -1.464 -7.370 1.00 0.00 C ATOM 0 H VAL A 87 0.751 -1.261 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.154 -3.751 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 87 1.625 -1.623 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.977 -2.620 -9.343 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.888 -3.766 -8.332 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.121 -3.920 -8.480 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.448 -0.892 -8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.361 -2.120 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.570 -0.780 -6.525 1.00 0.00 H new ATOM 1428 N MET A 88 3.146 -3.363 -5.887 1.00 0.00 N ATOM 1429 CA MET A 88 4.411 -4.086 -5.824 1.00 0.00 C ATOM 1430 C MET A 88 4.474 -4.961 -4.576 1.00 0.00 C ATOM 1431 O MET A 88 5.308 -5.861 -4.480 1.00 0.00 O ATOM 1432 CB MET A 88 5.585 -3.105 -5.833 1.00 0.00 C ATOM 1433 CG MET A 88 5.591 -2.153 -4.648 1.00 0.00 C ATOM 1434 SD MET A 88 7.197 -1.373 -4.392 1.00 0.00 S ATOM 1435 CE MET A 88 7.776 -2.258 -2.947 1.00 0.00 C ATOM 0 H MET A 88 3.242 -2.350 -5.957 1.00 0.00 H new ATOM 0 HA MET A 88 4.478 -4.729 -6.702 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.518 -3.668 -5.841 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.555 -2.524 -6.755 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.837 -1.381 -4.803 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.308 -2.698 -3.747 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.440 -1.616 -2.369 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.924 -2.547 -2.332 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.317 -3.151 -3.260 1.00 0.00 H new ATOM 1445 N MET A 89 3.589 -4.690 -3.623 1.00 0.00 N ATOM 1446 CA MET A 89 3.544 -5.455 -2.382 1.00 0.00 C ATOM 1447 C MET A 89 2.904 -6.821 -2.607 1.00 0.00 C ATOM 1448 O MET A 89 3.407 -7.839 -2.132 1.00 0.00 O ATOM 1449 CB MET A 89 2.768 -4.685 -1.311 1.00 0.00 C ATOM 1450 CG MET A 89 2.523 -5.487 -0.044 1.00 0.00 C ATOM 1451 SD MET A 89 1.777 -4.502 1.269 1.00 0.00 S ATOM 1452 CE MET A 89 0.035 -4.740 0.923 1.00 0.00 C ATOM 0 H MET A 89 2.893 -3.947 -3.686 1.00 0.00 H new ATOM 0 HA MET A 89 4.568 -5.606 -2.041 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.318 -3.779 -1.057 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.809 -4.371 -1.724 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.873 -6.331 -0.273 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.468 -5.899 0.309 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.555 -4.069 1.547 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.160 -4.524 -0.127 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.241 -5.772 1.139 1.00 0.00 H new ATOM 1462 N PHE A 90 1.791 -6.835 -3.333 1.00 0.00 N ATOM 1463 CA PHE A 90 1.081 -8.076 -3.620 1.00 0.00 C ATOM 1464 C PHE A 90 1.874 -8.944 -4.593 1.00 0.00 C ATOM 1465 O PHE A 90 1.855 -10.171 -4.504 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.303 -7.775 -4.198 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.142 -6.894 -3.318 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.383 -7.240 -1.998 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.690 -5.721 -3.810 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.156 -6.432 -1.186 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.463 -4.908 -3.002 1.00 0.00 C ATOM 1472 CZ PHE A 90 -2.695 -5.264 -1.688 1.00 0.00 C ATOM 0 H PHE A 90 1.361 -6.001 -3.733 1.00 0.00 H new ATOM 0 HA PHE A 90 0.965 -8.623 -2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.186 -7.297 -5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.830 -8.714 -4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.962 -8.151 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.511 -5.438 -4.837 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.338 -6.714 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.885 -3.996 -3.398 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.297 -4.630 -1.054 1.00 0.00 H new ATOM 1482 N ASN A 91 2.571 -8.297 -5.521 1.00 0.00 N ATOM 1483 CA ASN A 91 3.370 -9.008 -6.512 1.00 0.00 C ATOM 1484 C ASN A 91 4.428 -9.875 -5.837 1.00 0.00 C ATOM 1485 O ASN A 91 4.631 -11.029 -6.212 1.00 0.00 O ATOM 1486 CB ASN A 91 4.040 -8.016 -7.465 1.00 0.00 C ATOM 1487 CG ASN A 91 3.153 -7.656 -8.642 1.00 0.00 C ATOM 1488 OD1 ASN A 91 2.372 -8.480 -9.120 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.269 -6.421 -9.114 1.00 0.00 N ATOM 0 H ASN A 91 2.599 -7.281 -5.607 1.00 0.00 H new ATOM 0 HA ASN A 91 2.704 -9.656 -7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.299 -7.109 -6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.972 -8.444 -7.834 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.698 -6.121 -9.904 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.929 -5.772 -8.687 1.00 0.00 H new ATOM 1496 N ASN A 92 5.099 -9.310 -4.838 1.00 0.00 N ATOM 1497 CA ASN A 92 6.137 -10.031 -4.110 1.00 0.00 C ATOM 1498 C ASN A 92 5.631 -11.396 -3.651 1.00 0.00 C ATOM 1499 O ASN A 92 6.407 -12.340 -3.504 1.00 0.00 O ATOM 1500 CB ASN A 92 6.603 -9.215 -2.903 1.00 0.00 C ATOM 1501 CG ASN A 92 6.912 -7.775 -3.263 1.00 0.00 C ATOM 1502 OD1 ASN A 92 7.422 -7.490 -4.347 1.00 0.00 O ATOM 1503 ND2 ASN A 92 6.603 -6.858 -2.353 1.00 0.00 N ATOM 0 H ASN A 92 4.942 -8.355 -4.514 1.00 0.00 H new ATOM 0 HA ASN A 92 6.980 -10.183 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.831 -9.237 -2.133 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.492 -9.679 -2.476 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.787 -5.872 -2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.182 -7.140 -1.468 1.00 0.00 H new ATOM 1510 N ALA A 93 4.324 -11.491 -3.426 1.00 0.00 N ATOM 1511 CA ALA A 93 3.714 -12.740 -2.986 1.00 0.00 C ATOM 1512 C ALA A 93 3.650 -13.751 -4.126 1.00 0.00 C ATOM 1513 O ALA A 93 4.290 -14.801 -4.073 1.00 0.00 O ATOM 1514 CB ALA A 93 2.322 -12.480 -2.429 1.00 0.00 C ATOM 0 H ALA A 93 3.668 -10.718 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 93 4.336 -13.161 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.878 -13.421 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.391 -11.799 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.698 -12.033 -3.203 1.00 0.00 H new ATOM 1520 N CYS A 94 2.874 -13.427 -5.154 1.00 0.00 N ATOM 1521 CA CYS A 94 2.725 -14.308 -6.307 1.00 0.00 C ATOM 1522 C CYS A 94 4.086 -14.767 -6.820 1.00 0.00 C ATOM 1523 O CYS A 94 4.188 -15.765 -7.534 1.00 0.00 O ATOM 1524 CB CYS A 94 1.959 -13.597 -7.423 1.00 0.00 C ATOM 1525 SG CYS A 94 2.786 -12.122 -8.062 1.00 0.00 S ATOM 0 H CYS A 94 2.338 -12.561 -5.213 1.00 0.00 H new ATOM 0 HA CYS A 94 2.161 -15.186 -5.992 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.802 -14.297 -8.244 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.974 -13.316 -7.051 1.00 0.00 H new ATOM 0 HG CYS A 94 3.615 -11.669 -7.170 1.00 0.00 H new ATOM 1531 N THR A 95 5.130 -14.032 -6.451 1.00 0.00 N ATOM 1532 CA THR A 95 6.485 -14.361 -6.876 1.00 0.00 C ATOM 1533 C THR A 95 7.182 -15.247 -5.851 1.00 0.00 C ATOM 1534 O THR A 95 7.955 -16.137 -6.208 1.00 0.00 O ATOM 1535 CB THR A 95 7.328 -13.091 -7.099 1.00 0.00 C ATOM 1536 OG1 THR A 95 7.428 -12.350 -5.878 1.00 0.00 O ATOM 1537 CG2 THR A 95 6.714 -12.216 -8.181 1.00 0.00 C ATOM 0 H THR A 95 5.063 -13.204 -5.858 1.00 0.00 H new ATOM 0 HA THR A 95 6.399 -14.900 -7.819 1.00 0.00 H new ATOM 0 HB THR A 95 8.324 -13.394 -7.422 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.782 -12.699 -5.229 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.327 -11.326 -8.320 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.666 -12.774 -9.116 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.708 -11.921 -7.883 1.00 0.00 H new ATOM 1545 N TYR A 96 6.905 -15.000 -4.576 1.00 0.00 N ATOM 1546 CA TYR A 96 7.508 -15.775 -3.498 1.00 0.00 C ATOM 1547 C TYR A 96 6.821 -17.130 -3.351 1.00 0.00 C ATOM 1548 O TYR A 96 7.441 -18.176 -3.536 1.00 0.00 O ATOM 1549 CB TYR A 96 7.426 -15.004 -2.180 1.00 0.00 C ATOM 1550 CG TYR A 96 7.856 -15.814 -0.977 1.00 0.00 C ATOM 1551 CD1 TYR A 96 9.109 -16.411 -0.929 1.00 0.00 C ATOM 1552 CD2 TYR A 96 7.009 -15.980 0.112 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.505 -17.153 0.168 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.397 -16.718 1.213 1.00 0.00 C ATOM 1555 CZ TYR A 96 8.646 -17.303 1.236 1.00 0.00 C ATOM 1556 OH TYR A 96 9.038 -18.039 2.331 1.00 0.00 O ATOM 0 H TYR A 96 6.266 -14.269 -4.263 1.00 0.00 H new ATOM 0 HA TYR A 96 8.555 -15.944 -3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.051 -14.114 -2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.401 -14.664 -2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.785 -16.294 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.030 -15.524 0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.482 -17.613 0.188 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.726 -16.836 2.051 1.00 0.00 H new ATOM 0 HH TYR A 96 8.318 -18.046 2.995 1.00 0.00 H new ATOM 1566 N ASN A 97 5.534 -17.100 -3.017 1.00 0.00 N ATOM 1567 CA ASN A 97 4.761 -18.325 -2.845 1.00 0.00 C ATOM 1568 C ASN A 97 4.107 -18.744 -4.158 1.00 0.00 C ATOM 1569 O ASN A 97 4.163 -18.018 -5.150 1.00 0.00 O ATOM 1570 CB ASN A 97 3.692 -18.130 -1.769 1.00 0.00 C ATOM 1571 CG ASN A 97 4.275 -18.123 -0.369 1.00 0.00 C ATOM 1572 OD1 ASN A 97 4.115 -17.007 0.333 1.00 0.00 O flip ATOM 1573 ND2 ASN A 97 4.861 -19.110 0.076 1.00 0.00 N flip ATOM 0 H ASN A 97 5.005 -16.242 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 97 5.443 -19.115 -2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.169 -17.190 -1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.952 -18.926 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.960 -19.946 -0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.247 -19.091 1.020 1.00 0.00 H new ATOM 1580 N GLU A 98 3.488 -19.920 -4.155 1.00 0.00 N ATOM 1581 CA GLU A 98 2.823 -20.436 -5.346 1.00 0.00 C ATOM 1582 C GLU A 98 1.669 -19.528 -5.762 1.00 0.00 C ATOM 1583 O GLU A 98 1.038 -18.867 -4.937 1.00 0.00 O ATOM 1584 CB GLU A 98 2.306 -21.854 -5.095 1.00 0.00 C ATOM 1585 CG GLU A 98 1.251 -21.932 -4.005 1.00 0.00 C ATOM 1586 CD GLU A 98 0.832 -23.358 -3.700 1.00 0.00 C ATOM 1587 OE1 GLU A 98 1.707 -24.167 -3.328 1.00 0.00 O ATOM 1588 OE2 GLU A 98 -0.372 -23.663 -3.833 1.00 0.00 O ATOM 0 H GLU A 98 3.433 -20.533 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 98 3.552 -20.461 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.889 -22.249 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.145 -22.495 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.637 -21.468 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.376 -21.357 -4.309 1.00 0.00 H new ATOM 1595 N PRO A 99 1.387 -19.492 -7.073 1.00 0.00 N ATOM 1596 CA PRO A 99 0.309 -18.669 -7.628 1.00 0.00 C ATOM 1597 C PRO A 99 -1.073 -19.188 -7.245 1.00 0.00 C ATOM 1598 O PRO A 99 -2.090 -18.601 -7.613 1.00 0.00 O ATOM 1599 CB PRO A 99 0.521 -18.780 -9.140 1.00 0.00 C ATOM 1600 CG PRO A 99 1.232 -20.076 -9.329 1.00 0.00 C ATOM 1601 CD PRO A 99 2.098 -20.254 -8.113 1.00 0.00 C ATOM 0 HA PRO A 99 0.343 -17.646 -7.252 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.429 -18.768 -9.675 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.111 -17.946 -9.519 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.524 -20.899 -9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.833 -20.062 -10.238 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.199 -21.305 -7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.104 -19.868 -8.276 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.101 -20.291 -6.503 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.359 -20.888 -6.071 1.00 0.00 C ATOM 1611 C GLU A 100 -2.389 -21.056 -4.554 1.00 0.00 C ATOM 1612 O GLU A 100 -2.897 -22.052 -4.039 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.566 -22.244 -6.749 1.00 0.00 C ATOM 1614 CG GLU A 100 -3.980 -22.784 -6.613 1.00 0.00 C ATOM 1615 CD GLU A 100 -4.914 -22.248 -7.680 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -4.427 -21.905 -8.778 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -6.132 -22.172 -7.417 1.00 0.00 O ATOM 0 H GLU A 100 -0.268 -20.788 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.168 -20.218 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.321 -22.153 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.868 -22.964 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.956 -23.872 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.371 -22.524 -5.629 1.00 0.00 H new ATOM 1624 N SER A 101 -1.841 -20.074 -3.845 1.00 0.00 N ATOM 1625 CA SER A 101 -1.800 -20.114 -2.388 1.00 0.00 C ATOM 1626 C SER A 101 -2.950 -19.309 -1.790 1.00 0.00 C ATOM 1627 O SER A 101 -3.606 -18.532 -2.485 1.00 0.00 O ATOM 1628 CB SER A 101 -0.464 -19.571 -1.879 1.00 0.00 C ATOM 1629 OG SER A 101 -0.451 -19.492 -0.464 1.00 0.00 O ATOM 0 H SER A 101 -1.419 -19.241 -4.256 1.00 0.00 H new ATOM 0 HA SER A 101 -1.905 -21.153 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 101 0.347 -20.216 -2.218 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.284 -18.583 -2.303 1.00 0.00 H new ATOM 0 HG SER A 101 0.414 -19.144 -0.164 1.00 0.00 H new ATOM 1635 N LEU A 102 -3.188 -19.500 -0.497 1.00 0.00 N ATOM 1636 CA LEU A 102 -4.258 -18.792 0.196 1.00 0.00 C ATOM 1637 C LEU A 102 -4.124 -17.284 0.010 1.00 0.00 C ATOM 1638 O LEU A 102 -5.025 -16.631 -0.517 1.00 0.00 O ATOM 1639 CB LEU A 102 -4.242 -19.137 1.687 1.00 0.00 C ATOM 1640 CG LEU A 102 -5.566 -18.957 2.431 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -6.028 -17.510 2.357 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -6.627 -19.888 1.864 1.00 0.00 C ATOM 0 H LEU A 102 -2.654 -20.139 0.092 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.208 -19.109 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.925 -20.174 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -3.487 -18.520 2.174 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.410 -19.213 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.971 -17.401 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.277 -16.864 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.167 -17.225 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.562 -19.746 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.781 -19.664 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.299 -20.922 1.971 1.00 0.00 H new ATOM 1654 N ILE A 103 -2.993 -16.738 0.444 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.739 -15.308 0.322 1.00 0.00 C ATOM 1656 C ILE A 103 -3.033 -14.816 -1.091 1.00 0.00 C ATOM 1657 O ILE A 103 -3.535 -13.708 -1.282 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.282 -14.962 0.682 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.033 -13.462 0.505 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.319 -15.769 -0.175 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.417 -13.066 0.677 1.00 0.00 C ATOM 0 H ILE A 103 -2.238 -17.265 0.883 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.406 -14.808 1.024 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.110 -15.219 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.368 -13.161 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.639 -12.914 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.707 -15.513 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.484 -16.833 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.489 -15.540 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.519 -11.990 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.751 -13.336 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.026 -13.587 -0.062 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.719 -15.648 -2.078 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.948 -15.298 -3.475 1.00 0.00 C ATOM 1675 C TYR A 104 -4.300 -14.613 -3.650 1.00 0.00 C ATOM 1676 O TYR A 104 -4.372 -13.412 -3.912 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.880 -16.548 -4.353 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.759 -16.245 -5.830 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -3.881 -15.941 -6.590 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -1.523 -16.262 -6.463 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -3.776 -15.664 -7.939 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -1.408 -15.984 -7.812 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.537 -15.687 -8.546 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.428 -15.410 -9.889 1.00 0.00 O ATOM 0 H TYR A 104 -2.305 -16.569 -1.937 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.166 -14.603 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -2.028 -17.153 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.774 -17.148 -4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.852 -15.921 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.637 -16.496 -5.892 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.659 -15.431 -8.516 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -0.439 -15.999 -8.289 1.00 0.00 H new ATOM 0 HH TYR A 104 -1.488 -15.467 -10.160 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.371 -15.386 -3.502 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.722 -14.856 -3.641 1.00 0.00 C ATOM 1696 C LYS A 105 -6.821 -13.455 -3.046 1.00 0.00 C ATOM 1697 O LYS A 105 -7.336 -12.535 -3.682 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.729 -15.784 -2.958 1.00 0.00 C ATOM 1699 CG LYS A 105 -8.253 -16.885 -3.864 1.00 0.00 C ATOM 1700 CD LYS A 105 -7.242 -18.009 -4.018 1.00 0.00 C ATOM 1701 CE LYS A 105 -7.917 -19.320 -4.390 1.00 0.00 C ATOM 1702 NZ LYS A 105 -8.803 -19.816 -3.301 1.00 0.00 N ATOM 0 H LYS A 105 -5.329 -16.382 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.954 -14.797 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.259 -16.236 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.570 -15.191 -2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -9.181 -17.283 -3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.489 -16.470 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.515 -17.743 -4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.691 -18.134 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.502 -19.182 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.157 -20.070 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.918 -20.846 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.378 -19.593 -2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.733 -19.356 -3.374 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.325 -13.300 -1.824 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.356 -12.010 -1.144 1.00 0.00 C ATOM 1718 C ASP A 106 -5.698 -10.931 -1.997 1.00 0.00 C ATOM 1719 O ASP A 106 -6.280 -9.873 -2.235 1.00 0.00 O ATOM 1720 CB ASP A 106 -5.652 -12.107 0.211 1.00 0.00 C ATOM 1721 CG ASP A 106 -6.115 -13.303 1.020 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -7.167 -13.882 0.675 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -5.425 -13.660 1.997 1.00 0.00 O ATOM 0 H ASP A 106 -5.896 -14.051 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.399 -11.736 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.575 -12.173 0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.836 -11.195 0.779 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.480 -11.205 -2.454 1.00 0.00 N ATOM 1729 CA ALA A 107 -3.743 -10.258 -3.281 1.00 0.00 C ATOM 1730 C ALA A 107 -4.605 -9.745 -4.430 1.00 0.00 C ATOM 1731 O ALA A 107 -4.592 -8.555 -4.747 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.473 -10.902 -3.818 1.00 0.00 C ATOM 0 H ALA A 107 -3.983 -12.076 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.470 -9.406 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.933 -10.183 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.842 -11.212 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.733 -11.772 -4.420 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.353 -10.651 -5.051 1.00 0.00 N ATOM 1739 CA LEU A 108 -6.222 -10.290 -6.166 1.00 0.00 C ATOM 1740 C LEU A 108 -7.375 -9.409 -5.696 1.00 0.00 C ATOM 1741 O LEU A 108 -7.518 -8.269 -6.137 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.769 -11.550 -6.839 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.911 -12.140 -7.959 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -4.586 -12.643 -7.407 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -6.656 -13.262 -8.668 1.00 0.00 C ATOM 0 H LEU A 108 -5.375 -11.640 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.631 -9.727 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.909 -12.314 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.754 -11.322 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.704 -11.354 -8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.989 -13.059 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.046 -11.816 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.772 -13.415 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.030 -13.670 -9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.894 -14.049 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.578 -12.871 -9.098 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.193 -9.945 -4.796 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.332 -9.207 -4.263 1.00 0.00 C ATOM 1759 C VAL A 109 -8.905 -7.839 -3.743 1.00 0.00 C ATOM 1760 O VAL A 109 -9.386 -6.806 -4.212 1.00 0.00 O ATOM 1761 CB VAL A 109 -10.022 -9.984 -3.126 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.177 -9.177 -2.552 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.502 -11.339 -3.623 1.00 0.00 C ATOM 0 H VAL A 109 -8.088 -10.888 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.037 -9.077 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.296 -10.151 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.652 -9.742 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.801 -8.233 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.907 -8.977 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.987 -11.875 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -11.213 -11.197 -4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.651 -11.918 -3.981 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.999 -7.838 -2.771 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.505 -6.596 -2.186 1.00 0.00 C ATOM 1775 C LEU A 110 -7.130 -5.594 -3.273 1.00 0.00 C ATOM 1776 O LEU A 110 -7.565 -4.442 -3.246 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.294 -6.875 -1.294 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.583 -7.597 0.022 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.301 -8.168 0.610 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.252 -6.654 1.012 1.00 0.00 C ATOM 0 H LEU A 110 -7.592 -8.683 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.303 -6.166 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.579 -7.470 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.809 -5.926 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.265 -8.423 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.526 -8.678 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.862 -8.876 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.595 -7.359 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.450 -7.185 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.594 -5.808 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.191 -6.293 0.593 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.323 -6.040 -4.230 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.892 -5.183 -5.328 1.00 0.00 C ATOM 1794 C HIS A 111 -7.081 -4.460 -5.952 1.00 0.00 C ATOM 1795 O HIS A 111 -7.035 -3.252 -6.186 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.166 -6.007 -6.392 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.594 -5.181 -7.503 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -4.409 -5.664 -8.781 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.167 -3.897 -7.522 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.891 -4.713 -9.538 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.735 -3.630 -8.797 1.00 0.00 N ATOM 0 H HIS A 111 -5.954 -6.990 -4.267 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.206 -4.437 -4.926 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.362 -6.570 -5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.860 -6.735 -6.812 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.166 -3.210 -6.689 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.638 -4.805 -10.584 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.355 -2.740 -9.120 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.147 -5.206 -6.221 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.350 -4.638 -6.817 1.00 0.00 C ATOM 1812 C LYS A 112 -10.013 -3.647 -5.866 1.00 0.00 C ATOM 1813 O LYS A 112 -10.355 -2.530 -6.256 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.337 -5.749 -7.182 1.00 0.00 C ATOM 1815 CG LYS A 112 -10.108 -6.336 -8.564 1.00 0.00 C ATOM 1816 CD LYS A 112 -10.674 -5.439 -9.652 1.00 0.00 C ATOM 1817 CE LYS A 112 -10.638 -6.121 -11.011 1.00 0.00 C ATOM 1818 NZ LYS A 112 -9.337 -5.908 -11.705 1.00 0.00 N ATOM 0 H LYS A 112 -8.202 -6.207 -6.035 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.060 -4.106 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.265 -6.546 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.352 -5.354 -7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.040 -6.478 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.573 -7.320 -8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -11.701 -5.170 -9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.103 -4.511 -9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.812 -7.190 -10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.448 -5.737 -11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.353 -6.388 -12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.182 -4.890 -11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.566 -6.297 -11.125 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.189 -4.061 -4.615 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.808 -3.209 -3.607 1.00 0.00 C ATOM 1834 C VAL A 113 -10.100 -1.862 -3.516 1.00 0.00 C ATOM 1835 O VAL A 113 -10.742 -0.812 -3.466 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.795 -3.879 -2.220 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.377 -2.945 -1.170 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.557 -5.194 -2.257 1.00 0.00 C ATOM 0 H VAL A 113 -9.911 -4.982 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.841 -3.053 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.761 -4.092 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.359 -3.436 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.784 -2.032 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.405 -2.698 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.538 -5.654 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.590 -5.008 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -11.090 -5.865 -2.978 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.772 -1.899 -3.495 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.974 -0.680 -3.410 1.00 0.00 C ATOM 1850 C LEU A 114 -8.260 0.241 -4.592 1.00 0.00 C ATOM 1851 O LEU A 114 -8.410 1.452 -4.426 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.484 -1.025 -3.367 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.519 0.159 -3.435 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.694 1.061 -2.223 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.082 -0.329 -3.536 1.00 0.00 C ATOM 0 H LEU A 114 -8.225 -2.759 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.247 -0.159 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.286 -1.577 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.263 -1.696 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.748 0.738 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.999 1.898 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.716 1.439 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.493 0.493 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.409 0.527 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.840 -0.932 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.965 -0.932 -4.436 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.337 -0.340 -5.784 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.608 0.428 -6.994 1.00 0.00 C ATOM 1869 C LEU A 115 -9.969 1.112 -6.911 1.00 0.00 C ATOM 1870 O LEU A 115 -10.064 2.337 -6.977 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.556 -0.482 -8.222 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.202 -1.128 -8.522 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.359 -2.251 -9.535 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.214 -0.086 -9.026 1.00 0.00 C ATOM 0 H LEU A 115 -8.216 -1.341 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.841 1.196 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.294 -1.274 -8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.860 0.099 -9.093 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.811 -1.553 -7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.386 -2.698 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.032 -3.010 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.772 -1.851 -10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.256 -0.563 -9.234 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.599 0.369 -9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.078 0.684 -8.266 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.020 0.311 -6.765 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.376 0.840 -6.671 1.00 0.00 C ATOM 1888 C GLU A 116 -12.463 1.927 -5.604 1.00 0.00 C ATOM 1889 O GLU A 116 -13.145 2.937 -5.784 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.365 -0.283 -6.354 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.105 -0.964 -5.020 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.148 -2.013 -4.688 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.167 -1.658 -4.059 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -13.945 -3.189 -5.056 1.00 0.00 O ATOM 0 H GLU A 116 -10.959 -0.706 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.635 1.280 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -14.376 0.124 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.322 -1.029 -7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.120 -1.430 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.086 -0.213 -4.230 1.00 0.00 H new ATOM 1901 N THR A 117 -11.769 1.712 -4.491 1.00 0.00 N ATOM 1902 CA THR A 117 -11.769 2.671 -3.393 1.00 0.00 C ATOM 1903 C THR A 117 -11.052 3.957 -3.787 1.00 0.00 C ATOM 1904 O THR A 117 -11.517 5.056 -3.484 1.00 0.00 O ATOM 1905 CB THR A 117 -11.098 2.086 -2.136 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.845 0.961 -1.660 1.00 0.00 O ATOM 1907 CG2 THR A 117 -10.997 3.135 -1.039 1.00 0.00 C ATOM 0 H THR A 117 -11.200 0.882 -4.326 1.00 0.00 H new ATOM 0 HA THR A 117 -12.812 2.894 -3.168 1.00 0.00 H new ATOM 0 HB THR A 117 -10.091 1.765 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.609 0.167 -2.183 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.520 2.699 -0.161 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.403 3.977 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 117 -11.996 3.482 -0.774 1.00 0.00 H new ATOM 1915 N ARG A 118 -9.917 3.813 -4.463 1.00 0.00 N ATOM 1916 CA ARG A 118 -9.135 4.964 -4.897 1.00 0.00 C ATOM 1917 C ARG A 118 -10.045 6.132 -5.265 1.00 0.00 C ATOM 1918 O ARG A 118 -9.862 7.250 -4.783 1.00 0.00 O ATOM 1919 CB ARG A 118 -8.259 4.590 -6.094 1.00 0.00 C ATOM 1920 CG ARG A 118 -6.918 5.305 -6.115 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.984 6.592 -6.922 1.00 0.00 C ATOM 1922 NE ARG A 118 -7.004 6.335 -8.360 1.00 0.00 N ATOM 1923 CZ ARG A 118 -5.930 5.983 -9.058 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -4.758 5.846 -8.454 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -6.028 5.767 -10.364 1.00 0.00 N ATOM 0 H ARG A 118 -9.519 2.910 -4.722 1.00 0.00 H new ATOM 0 HA ARG A 118 -8.496 5.270 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.087 3.514 -6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.798 4.819 -7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.609 5.530 -5.094 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.160 4.647 -6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.877 7.151 -6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.126 7.218 -6.677 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.891 6.431 -8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -4.679 6.011 -7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -3.935 5.576 -8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -6.928 5.871 -10.832 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.203 5.497 -10.900 1.00 0.00 H new