USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 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 98 ASN : amide:sc= -0.478 K(o=0.51,f=-1.4!) USER MOD Set 1.2: A 100 TYR OH : rot 15:sc= 0.985 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.072) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.7!) USER MOD Single : A 74 SER OG : rot -140:sc= 0.0267 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0.055) USER MOD Single : A 92 LYS NZ :NH3+ -147:sc= -3.9! (180deg=-6.87!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -165:sc= 0.839 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.665 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0.097) USER MOD Single : A 115 TYR OH : rot -176:sc= -5.75! USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.601 X(o=-0.6,f=-0.31) USER MOD Single : B 232 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.63) USER MOD Single : B 233 LYS NZ :NH3+ -155:sc= -13.3! (180deg=-15!) USER MOD Single : B 234 ASN : amide:sc= -2.08 K(o=-2.1,f=-3.6!) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -17.637 -4.634 0.120 1.00 0.00 N ATOM 230 CA TYR A 59 -16.790 -4.177 -0.971 1.00 0.00 C ATOM 231 C TYR A 59 -15.599 -3.397 -0.424 1.00 0.00 C ATOM 232 O TYR A 59 -15.750 -2.554 0.460 1.00 0.00 O ATOM 233 CB TYR A 59 -17.593 -3.300 -1.932 1.00 0.00 C ATOM 234 CG TYR A 59 -18.644 -4.058 -2.713 1.00 0.00 C ATOM 235 CD1 TYR A 59 -18.298 -4.823 -3.821 1.00 0.00 C ATOM 236 CD2 TYR A 59 -19.981 -4.014 -2.339 1.00 0.00 C ATOM 237 CE1 TYR A 59 -19.255 -5.522 -4.531 1.00 0.00 C ATOM 238 CE2 TYR A 59 -20.943 -4.710 -3.047 1.00 0.00 C ATOM 239 CZ TYR A 59 -20.574 -5.461 -4.140 1.00 0.00 C ATOM 240 OH TYR A 59 -21.528 -6.158 -4.841 1.00 0.00 O ATOM 0 HA TYR A 59 -16.421 -5.048 -1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -18.077 -2.505 -1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -16.908 -2.821 -2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -17.265 -4.872 -4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.274 -3.427 -1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -18.970 -6.113 -5.389 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.979 -4.665 -2.744 1.00 0.00 H new ATOM 0 HH TYR A 59 -22.407 -6.009 -4.434 1.00 0.00 H new ATOM 250 N CYS A 60 -14.421 -3.677 -0.961 1.00 0.00 N ATOM 251 CA CYS A 60 -13.205 -2.993 -0.537 1.00 0.00 C ATOM 252 C CYS A 60 -12.927 -1.802 -1.443 1.00 0.00 C ATOM 253 O CYS A 60 -13.413 -1.750 -2.568 1.00 0.00 O ATOM 254 CB CYS A 60 -12.013 -3.947 -0.566 1.00 0.00 C ATOM 255 SG CYS A 60 -12.203 -5.411 0.497 1.00 0.00 S ATOM 0 H CYS A 60 -14.280 -4.374 -1.692 1.00 0.00 H new ATOM 0 HA CYS A 60 -13.351 -2.642 0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.850 -4.276 -1.592 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.119 -3.403 -0.260 1.00 0.00 H new ATOM 260 N ASN A 61 -12.139 -0.852 -0.964 1.00 0.00 N ATOM 261 CA ASN A 61 -11.811 0.326 -1.762 1.00 0.00 C ATOM 262 C ASN A 61 -10.327 0.672 -1.664 1.00 0.00 C ATOM 263 O ASN A 61 -9.547 -0.063 -1.050 1.00 0.00 O ATOM 264 CB ASN A 61 -12.675 1.523 -1.327 1.00 0.00 C ATOM 265 CG ASN A 61 -12.821 1.630 0.176 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.707 1.811 0.868 1.00 0.00 O flip ATOM 267 ND2 ASN A 61 -13.924 1.554 0.708 1.00 0.00 N flip ATOM 0 H ASN A 61 -11.717 -0.870 -0.036 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.028 0.095 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.232 2.442 -1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.664 1.434 -1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.757 1.414 0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.008 1.631 1.722 1.00 0.00 H new ATOM 274 N THR A 62 -9.945 1.802 -2.263 1.00 0.00 N ATOM 275 CA THR A 62 -8.556 2.254 -2.225 1.00 0.00 C ATOM 276 C THR A 62 -8.104 2.417 -0.772 1.00 0.00 C ATOM 277 O THR A 62 -8.902 2.777 0.095 1.00 0.00 O ATOM 278 CB THR A 62 -8.382 3.587 -2.971 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.472 4.451 -2.722 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.260 3.452 -4.473 1.00 0.00 C ATOM 0 H THR A 62 -10.576 2.417 -2.777 1.00 0.00 H new ATOM 0 HA THR A 62 -7.942 1.502 -2.721 1.00 0.00 H new ATOM 0 HB THR A 62 -7.445 3.989 -2.585 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.339 5.293 -3.205 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.141 4.440 -4.919 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.392 2.838 -4.714 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.159 2.981 -4.870 1.00 0.00 H new ATOM 288 N THR A 63 -6.833 2.147 -0.503 1.00 0.00 N ATOM 289 CA THR A 63 -6.302 2.264 0.856 1.00 0.00 C ATOM 290 C THR A 63 -4.786 2.464 0.854 1.00 0.00 C ATOM 291 O THR A 63 -4.113 2.155 -0.132 1.00 0.00 O ATOM 292 CB THR A 63 -6.680 1.013 1.670 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.320 1.375 2.880 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.513 0.112 2.029 1.00 0.00 C ATOM 0 H THR A 63 -6.152 1.847 -1.200 1.00 0.00 H new ATOM 0 HA THR A 63 -6.745 3.145 1.320 1.00 0.00 H new ATOM 0 HB THR A 63 -7.342 0.455 1.008 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.553 0.566 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.875 -0.742 2.601 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.031 -0.240 1.117 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.793 0.670 2.627 1.00 0.00 H new ATOM 302 N LEU A 64 -4.258 2.961 1.972 1.00 0.00 N ATOM 303 CA LEU A 64 -2.820 3.184 2.117 1.00 0.00 C ATOM 304 C LEU A 64 -2.268 2.389 3.306 1.00 0.00 C ATOM 305 O LEU A 64 -3.019 1.710 4.007 1.00 0.00 O ATOM 306 CB LEU A 64 -2.535 4.674 2.297 1.00 0.00 C ATOM 307 CG LEU A 64 -1.327 5.199 1.522 1.00 0.00 C ATOM 308 CD1 LEU A 64 -1.770 6.202 0.473 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.324 5.830 2.471 1.00 0.00 C ATOM 0 H LEU A 64 -4.807 3.218 2.793 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.322 2.837 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.417 5.237 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.382 4.874 3.358 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.845 4.361 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.899 6.568 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.457 5.721 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.272 7.039 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.531 6.199 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.795 6.659 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.013 5.085 3.192 1.00 0.00 H new ATOM 321 N ASP A 65 -0.952 2.469 3.526 1.00 0.00 N ATOM 322 CA ASP A 65 -0.316 1.743 4.627 1.00 0.00 C ATOM 323 C ASP A 65 0.943 2.463 5.145 1.00 0.00 C ATOM 324 O ASP A 65 1.330 3.511 4.619 1.00 0.00 O ATOM 325 CB ASP A 65 0.023 0.327 4.159 1.00 0.00 C ATOM 326 CG ASP A 65 -0.981 -0.695 4.639 1.00 0.00 C ATOM 327 OD1 ASP A 65 -1.181 -0.806 5.865 1.00 0.00 O ATOM 328 OD2 ASP A 65 -1.560 -1.390 3.785 1.00 0.00 O ATOM 0 H ASP A 65 -0.311 3.025 2.960 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.016 1.700 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.065 0.308 3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.015 0.056 4.521 1.00 0.00 H new ATOM 333 N GLN A 66 1.574 1.891 6.183 1.00 0.00 N ATOM 334 CA GLN A 66 2.790 2.469 6.788 1.00 0.00 C ATOM 335 C GLN A 66 3.866 2.752 5.738 1.00 0.00 C ATOM 336 O GLN A 66 4.331 3.884 5.604 1.00 0.00 O ATOM 337 CB GLN A 66 3.351 1.531 7.863 1.00 0.00 C ATOM 338 CG GLN A 66 4.046 2.262 9.007 1.00 0.00 C ATOM 339 CD GLN A 66 3.075 2.995 9.914 1.00 0.00 C ATOM 340 OE1 GLN A 66 2.872 4.197 9.777 1.00 0.00 O ATOM 341 NE2 GLN A 66 2.470 2.274 10.844 1.00 0.00 N ATOM 0 H GLN A 66 1.262 1.026 6.624 1.00 0.00 H new ATOM 0 HA GLN A 66 2.506 3.417 7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.538 0.929 8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.058 0.842 7.400 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.616 1.544 9.597 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.760 2.975 8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.667 1.276 10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.807 2.716 11.480 1.00 0.00 H new ATOM 350 N ILE A 67 4.249 1.715 4.994 1.00 0.00 N ATOM 351 CA ILE A 67 5.265 1.841 3.948 1.00 0.00 C ATOM 352 C ILE A 67 4.716 2.577 2.711 1.00 0.00 C ATOM 353 O ILE A 67 5.451 2.823 1.753 1.00 0.00 O ATOM 354 CB ILE A 67 5.798 0.445 3.524 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.420 -0.288 4.715 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.818 0.563 2.404 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.315 -1.792 4.614 1.00 0.00 C ATOM 0 H ILE A 67 3.869 0.774 5.097 1.00 0.00 H new ATOM 0 HA ILE A 67 6.083 2.428 4.366 1.00 0.00 H new ATOM 0 HB ILE A 67 4.947 -0.131 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.471 -0.009 4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.931 0.042 5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.173 -0.430 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.354 1.036 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.660 1.169 2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.775 -2.249 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.265 -2.081 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.829 -2.133 3.715 1.00 0.00 H new ATOM 369 N GLY A 68 3.423 2.921 2.729 1.00 0.00 N ATOM 370 CA GLY A 68 2.814 3.609 1.598 1.00 0.00 C ATOM 371 C GLY A 68 2.273 2.641 0.560 1.00 0.00 C ATOM 372 O GLY A 68 2.191 2.967 -0.624 1.00 0.00 O ATOM 0 H GLY A 68 2.790 2.735 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.004 4.245 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.552 4.263 1.133 1.00 0.00 H new ATOM 376 N THR A 69 1.910 1.442 1.003 1.00 0.00 N ATOM 377 CA THR A 69 1.389 0.418 0.107 1.00 0.00 C ATOM 378 C THR A 69 -0.059 0.713 -0.285 1.00 0.00 C ATOM 379 O THR A 69 -0.988 0.503 0.496 1.00 0.00 O ATOM 380 CB THR A 69 1.510 -0.961 0.762 1.00 0.00 C ATOM 381 OG1 THR A 69 2.831 -1.166 1.247 1.00 0.00 O ATOM 382 CG2 THR A 69 1.174 -2.103 -0.173 1.00 0.00 C ATOM 0 H THR A 69 1.968 1.156 1.980 1.00 0.00 H new ATOM 0 HA THR A 69 1.983 0.423 -0.807 1.00 0.00 H new ATOM 0 HB THR A 69 0.785 -0.963 1.576 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.893 -2.051 1.664 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.281 -3.050 0.356 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.147 -1.997 -0.523 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.852 -2.086 -1.026 1.00 0.00 H new ATOM 390 N CYS A 70 -0.229 1.214 -1.504 1.00 0.00 N ATOM 391 CA CYS A 70 -1.549 1.565 -2.033 1.00 0.00 C ATOM 392 C CYS A 70 -2.379 0.321 -2.370 1.00 0.00 C ATOM 393 O CYS A 70 -1.919 -0.567 -3.093 1.00 0.00 O ATOM 394 CB CYS A 70 -1.390 2.430 -3.283 1.00 0.00 C ATOM 395 SG CYS A 70 -2.961 2.989 -4.013 1.00 0.00 S ATOM 0 H CYS A 70 0.538 1.389 -2.153 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.079 2.120 -1.259 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.789 3.304 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.835 1.866 -4.033 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.717 3.715 -5.063 1.00 0.00 H new ATOM 400 N TRP A 71 -3.605 0.268 -1.849 1.00 0.00 N ATOM 401 CA TRP A 71 -4.497 -0.863 -2.097 1.00 0.00 C ATOM 402 C TRP A 71 -5.809 -0.406 -2.740 1.00 0.00 C ATOM 403 O TRP A 71 -6.706 0.077 -2.055 1.00 0.00 O ATOM 404 CB TRP A 71 -4.763 -1.603 -0.788 1.00 0.00 C ATOM 405 CG TRP A 71 -3.513 -2.174 -0.204 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.816 -1.712 0.880 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.790 -3.303 -0.701 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.710 -2.495 1.090 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.671 -3.479 0.131 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.985 -4.188 -1.769 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.748 -4.502 -0.074 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -2.068 -5.202 -1.969 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.961 -5.352 -1.125 1.00 0.00 C ATOM 0 H TRP A 71 -4.002 0.995 -1.253 1.00 0.00 H new ATOM 0 HA TRP A 71 -4.011 -1.542 -2.798 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.219 -0.920 -0.071 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.480 -2.405 -0.964 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.095 -0.859 1.480 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -1.027 -2.368 1.837 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.837 -4.080 -2.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.107 -4.620 0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.207 -5.890 -2.790 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.261 -6.154 -1.307 1.00 0.00 H new ATOM 424 N PRO A 72 -5.917 -0.533 -4.078 1.00 0.00 N ATOM 425 CA PRO A 72 -7.111 -0.111 -4.841 1.00 0.00 C ATOM 426 C PRO A 72 -8.412 -0.823 -4.438 1.00 0.00 C ATOM 427 O PRO A 72 -8.427 -1.695 -3.566 1.00 0.00 O ATOM 428 CB PRO A 72 -6.752 -0.457 -6.294 1.00 0.00 C ATOM 429 CG PRO A 72 -5.633 -1.436 -6.200 1.00 0.00 C ATOM 430 CD PRO A 72 -4.869 -1.069 -4.964 1.00 0.00 C ATOM 0 HA PRO A 72 -7.322 0.943 -4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.606 -0.885 -6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.451 0.433 -6.847 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.011 -2.456 -6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.995 -1.386 -7.083 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.371 -1.934 -4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.097 -0.328 -5.171 1.00 0.00 H new ATOM 438 N GLN A 73 -9.503 -0.424 -5.102 1.00 0.00 N ATOM 439 CA GLN A 73 -10.835 -0.986 -4.856 1.00 0.00 C ATOM 440 C GLN A 73 -10.877 -2.497 -5.133 1.00 0.00 C ATOM 441 O GLN A 73 -10.310 -2.977 -6.117 1.00 0.00 O ATOM 442 CB GLN A 73 -11.868 -0.249 -5.721 1.00 0.00 C ATOM 443 CG GLN A 73 -13.258 -0.173 -5.102 1.00 0.00 C ATOM 444 CD GLN A 73 -14.244 -1.132 -5.742 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.862 -2.047 -6.464 1.00 0.00 O ATOM 446 NE2 GLN A 73 -15.526 -0.927 -5.479 1.00 0.00 N ATOM 0 H GLN A 73 -9.487 0.296 -5.824 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.076 -0.847 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.511 0.763 -5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.939 -0.748 -6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.188 -0.390 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.636 0.845 -5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.805 -0.155 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.234 -1.541 -5.882 1.00 0.00 H new ATOM 455 N SER A 74 -11.556 -3.235 -4.249 1.00 0.00 N ATOM 456 CA SER A 74 -11.684 -4.694 -4.371 1.00 0.00 C ATOM 457 C SER A 74 -12.886 -5.215 -3.565 1.00 0.00 C ATOM 458 O SER A 74 -13.871 -4.502 -3.375 1.00 0.00 O ATOM 459 CB SER A 74 -10.397 -5.370 -3.887 1.00 0.00 C ATOM 460 OG SER A 74 -10.199 -6.609 -4.547 1.00 0.00 O ATOM 0 H SER A 74 -12.029 -2.844 -3.435 1.00 0.00 H new ATOM 0 HA SER A 74 -11.850 -4.936 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.546 -4.715 -4.071 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.448 -5.531 -2.810 1.00 0.00 H new ATOM 0 HG SER A 74 -9.859 -7.270 -3.908 1.00 0.00 H new ATOM 466 N ALA A 75 -12.804 -6.460 -3.082 1.00 0.00 N ATOM 467 CA ALA A 75 -13.889 -7.053 -2.294 1.00 0.00 C ATOM 468 C ALA A 75 -13.396 -8.241 -1.450 1.00 0.00 C ATOM 469 O ALA A 75 -12.317 -8.781 -1.705 1.00 0.00 O ATOM 470 CB ALA A 75 -15.019 -7.481 -3.222 1.00 0.00 C ATOM 0 H ALA A 75 -12.001 -7.073 -3.222 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.259 -6.299 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.825 -7.922 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.396 -6.612 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.646 -8.216 -3.935 1.00 0.00 H new ATOM 476 N PRO A 76 -14.181 -8.659 -0.429 1.00 0.00 N ATOM 477 CA PRO A 76 -13.820 -9.789 0.451 1.00 0.00 C ATOM 478 C PRO A 76 -13.526 -11.068 -0.342 1.00 0.00 C ATOM 479 O PRO A 76 -14.066 -11.269 -1.430 1.00 0.00 O ATOM 480 CB PRO A 76 -15.059 -9.969 1.347 1.00 0.00 C ATOM 481 CG PRO A 76 -16.149 -9.199 0.676 1.00 0.00 C ATOM 482 CD PRO A 76 -15.474 -8.073 -0.048 1.00 0.00 C ATOM 0 HA PRO A 76 -12.909 -9.591 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.324 -11.022 1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.874 -9.593 2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.704 -9.831 -0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.865 -8.820 1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.045 -7.752 -0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.349 -7.199 0.591 1.00 0.00 H new ATOM 490 N GLY A 77 -12.663 -11.928 0.205 1.00 0.00 N ATOM 491 CA GLY A 77 -12.313 -13.170 -0.482 1.00 0.00 C ATOM 492 C GLY A 77 -11.524 -12.932 -1.765 1.00 0.00 C ATOM 493 O GLY A 77 -11.794 -13.561 -2.790 1.00 0.00 O ATOM 0 H GLY A 77 -12.202 -11.790 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.727 -13.798 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.225 -13.719 -0.718 1.00 0.00 H new ATOM 497 N ALA A 78 -10.553 -12.020 -1.707 1.00 0.00 N ATOM 498 CA ALA A 78 -9.726 -11.696 -2.870 1.00 0.00 C ATOM 499 C ALA A 78 -8.273 -11.444 -2.467 1.00 0.00 C ATOM 500 O ALA A 78 -7.979 -10.503 -1.722 1.00 0.00 O ATOM 501 CB ALA A 78 -10.288 -10.477 -3.589 1.00 0.00 C ATOM 0 H ALA A 78 -10.320 -11.492 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.745 -12.552 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.665 -10.245 -4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.305 -10.687 -3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.297 -9.625 -2.909 1.00 0.00 H new ATOM 507 N LEU A 79 -7.364 -12.282 -2.965 1.00 0.00 N ATOM 508 CA LEU A 79 -5.944 -12.137 -2.654 1.00 0.00 C ATOM 509 C LEU A 79 -5.297 -11.060 -3.521 1.00 0.00 C ATOM 510 O LEU A 79 -4.615 -11.353 -4.504 1.00 0.00 O ATOM 511 CB LEU A 79 -5.219 -13.479 -2.823 1.00 0.00 C ATOM 512 CG LEU A 79 -4.010 -13.684 -1.906 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.438 -13.653 -0.449 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.312 -14.997 -2.226 1.00 0.00 C ATOM 0 H LEU A 79 -7.585 -13.064 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.856 -11.824 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.932 -14.284 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.890 -13.569 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.306 -12.870 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.567 -13.800 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.894 -12.689 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.161 -14.448 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.456 -15.125 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.008 -15.823 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.972 -14.985 -3.261 1.00 0.00 H new ATOM 526 N VAL A 80 -5.515 -9.807 -3.143 1.00 0.00 N ATOM 527 CA VAL A 80 -4.957 -8.677 -3.875 1.00 0.00 C ATOM 528 C VAL A 80 -3.436 -8.608 -3.695 1.00 0.00 C ATOM 529 O VAL A 80 -2.940 -8.241 -2.625 1.00 0.00 O ATOM 530 CB VAL A 80 -5.599 -7.350 -3.420 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.977 -6.177 -4.156 1.00 0.00 C ATOM 532 CG2 VAL A 80 -7.104 -7.379 -3.642 1.00 0.00 C ATOM 0 H VAL A 80 -6.076 -9.547 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.180 -8.827 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.411 -7.227 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.442 -5.250 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.908 -6.142 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.134 -6.296 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.538 -6.434 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.313 -7.527 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.541 -8.197 -3.069 1.00 0.00 H new ATOM 542 N GLU A 81 -2.701 -8.978 -4.744 1.00 0.00 N ATOM 543 CA GLU A 81 -1.236 -8.971 -4.700 1.00 0.00 C ATOM 544 C GLU A 81 -0.649 -7.599 -5.063 1.00 0.00 C ATOM 545 O GLU A 81 -1.272 -6.795 -5.766 1.00 0.00 O ATOM 546 CB GLU A 81 -0.669 -10.057 -5.624 1.00 0.00 C ATOM 547 CG GLU A 81 -1.040 -9.884 -7.092 1.00 0.00 C ATOM 548 CD GLU A 81 -2.137 -10.832 -7.528 1.00 0.00 C ATOM 549 OE1 GLU A 81 -1.870 -12.049 -7.612 1.00 0.00 O ATOM 550 OE2 GLU A 81 -3.264 -10.355 -7.777 1.00 0.00 O ATOM 0 H GLU A 81 -3.094 -9.286 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.943 -9.185 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.417 -10.064 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.024 -11.030 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.362 -8.857 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.156 -10.048 -7.709 1.00 0.00 H new ATOM 557 N ARG A 82 0.562 -7.343 -4.568 1.00 0.00 N ATOM 558 CA ARG A 82 1.256 -6.080 -4.821 1.00 0.00 C ATOM 559 C ARG A 82 2.778 -6.255 -4.703 1.00 0.00 C ATOM 560 O ARG A 82 3.270 -6.908 -3.778 1.00 0.00 O ATOM 561 CB ARG A 82 0.758 -5.009 -3.837 1.00 0.00 C ATOM 562 CG ARG A 82 0.952 -3.574 -4.315 1.00 0.00 C ATOM 563 CD ARG A 82 -0.325 -2.986 -4.919 1.00 0.00 C ATOM 564 NE ARG A 82 -1.010 -3.925 -5.821 1.00 0.00 N ATOM 565 CZ ARG A 82 -1.998 -3.599 -6.638 1.00 0.00 C ATOM 566 NH1 ARG A 82 -2.481 -2.376 -6.647 1.00 0.00 N ATOM 567 NH2 ARG A 82 -2.517 -4.517 -7.424 1.00 0.00 N ATOM 0 H ARG A 82 1.085 -7.998 -3.986 1.00 0.00 H new ATOM 0 HA ARG A 82 1.036 -5.759 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.302 -5.175 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.278 -5.136 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.274 -2.955 -3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.749 -3.545 -5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.004 -2.699 -4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.078 -2.077 -5.467 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.701 -4.897 -5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.094 -1.670 -6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.243 -2.133 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.157 -5.471 -7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.279 -4.275 -8.057 1.00 0.00 H new ATOM 581 N PRO A 83 3.540 -5.675 -5.653 1.00 0.00 N ATOM 582 CA PRO A 83 5.009 -5.756 -5.674 1.00 0.00 C ATOM 583 C PRO A 83 5.645 -5.336 -4.345 1.00 0.00 C ATOM 584 O PRO A 83 5.232 -4.356 -3.722 1.00 0.00 O ATOM 585 CB PRO A 83 5.415 -4.782 -6.794 1.00 0.00 C ATOM 586 CG PRO A 83 4.183 -3.998 -7.107 1.00 0.00 C ATOM 587 CD PRO A 83 3.030 -4.898 -6.789 1.00 0.00 C ATOM 0 HA PRO A 83 5.349 -6.779 -5.838 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.225 -4.128 -6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.771 -5.320 -7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.140 -3.085 -6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.167 -3.698 -8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.135 -4.334 -6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.768 -5.536 -7.633 1.00 0.00 H new ATOM 595 N CYS A 84 6.652 -6.085 -3.917 1.00 0.00 N ATOM 596 CA CYS A 84 7.345 -5.794 -2.665 1.00 0.00 C ATOM 597 C CYS A 84 8.220 -4.547 -2.796 1.00 0.00 C ATOM 598 O CYS A 84 9.136 -4.507 -3.620 1.00 0.00 O ATOM 599 CB CYS A 84 8.211 -6.983 -2.257 1.00 0.00 C ATOM 600 SG CYS A 84 8.315 -7.256 -0.461 1.00 0.00 S ATOM 0 H CYS A 84 7.009 -6.899 -4.417 1.00 0.00 H new ATOM 0 HA CYS A 84 6.591 -5.610 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.815 -7.883 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.217 -6.835 -2.649 1.00 0.00 H new ATOM 605 N PRO A 85 7.971 -3.510 -1.972 1.00 0.00 N ATOM 606 CA PRO A 85 8.763 -2.277 -2.008 1.00 0.00 C ATOM 607 C PRO A 85 10.157 -2.469 -1.401 1.00 0.00 C ATOM 608 O PRO A 85 10.543 -1.782 -0.452 1.00 0.00 O ATOM 609 CB PRO A 85 7.927 -1.303 -1.176 1.00 0.00 C ATOM 610 CG PRO A 85 7.204 -2.172 -0.207 1.00 0.00 C ATOM 611 CD PRO A 85 6.918 -3.459 -0.938 1.00 0.00 C ATOM 0 HA PRO A 85 8.950 -1.930 -3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.557 -0.575 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.233 -0.741 -1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.809 -2.354 0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.280 -1.699 0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.969 -4.319 -0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.922 -3.457 -1.380 1.00 0.00 H new ATOM 619 N GLU A 86 10.916 -3.408 -1.967 1.00 0.00 N ATOM 620 CA GLU A 86 12.273 -3.690 -1.492 1.00 0.00 C ATOM 621 C GLU A 86 13.295 -2.709 -2.082 1.00 0.00 C ATOM 622 O GLU A 86 14.499 -2.845 -1.839 1.00 0.00 O ATOM 623 CB GLU A 86 12.683 -5.122 -1.853 1.00 0.00 C ATOM 624 CG GLU A 86 11.684 -6.190 -1.428 1.00 0.00 C ATOM 625 CD GLU A 86 11.636 -7.360 -2.389 1.00 0.00 C ATOM 626 OE1 GLU A 86 11.036 -7.210 -3.467 1.00 0.00 O ATOM 627 OE2 GLU A 86 12.202 -8.424 -2.064 1.00 0.00 O ATOM 0 H GLU A 86 10.616 -3.985 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 86 12.265 -3.572 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.826 -5.185 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.646 -5.338 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.946 -6.552 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.692 -5.745 -1.354 1.00 0.00 H new ATOM 634 N TYR A 87 12.821 -1.733 -2.863 1.00 0.00 N ATOM 635 CA TYR A 87 13.702 -0.745 -3.490 1.00 0.00 C ATOM 636 C TYR A 87 13.777 0.537 -2.654 1.00 0.00 C ATOM 637 O TYR A 87 13.541 1.641 -3.153 1.00 0.00 O ATOM 638 CB TYR A 87 13.212 -0.438 -4.912 1.00 0.00 C ATOM 639 CG TYR A 87 13.630 -1.472 -5.937 1.00 0.00 C ATOM 640 CD1 TYR A 87 13.516 -2.835 -5.671 1.00 0.00 C ATOM 641 CD2 TYR A 87 14.137 -1.087 -7.174 1.00 0.00 C ATOM 642 CE1 TYR A 87 13.898 -3.777 -6.608 1.00 0.00 C ATOM 643 CE2 TYR A 87 14.521 -2.028 -8.114 1.00 0.00 C ATOM 644 CZ TYR A 87 14.398 -3.369 -7.825 1.00 0.00 C ATOM 645 OH TYR A 87 14.780 -4.312 -8.754 1.00 0.00 O ATOM 0 H TYR A 87 11.831 -1.607 -3.076 1.00 0.00 H new ATOM 0 HA TYR A 87 14.707 -1.163 -3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.124 -0.366 -4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.594 0.537 -5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.123 -3.160 -4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.233 -0.036 -7.405 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.805 -4.830 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 87 14.915 -1.712 -9.069 1.00 0.00 H new ATOM 0 HH TYR A 87 15.110 -3.862 -9.560 1.00 0.00 H new ATOM 655 N PHE A 88 14.116 0.377 -1.376 1.00 0.00 N ATOM 656 CA PHE A 88 14.233 1.508 -0.454 1.00 0.00 C ATOM 657 C PHE A 88 15.675 2.037 -0.375 1.00 0.00 C ATOM 658 O PHE A 88 16.021 2.773 0.548 1.00 0.00 O ATOM 659 CB PHE A 88 13.753 1.089 0.939 1.00 0.00 C ATOM 660 CG PHE A 88 12.312 1.420 1.212 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.857 2.723 1.097 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.413 0.430 1.583 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.536 3.034 1.345 1.00 0.00 C ATOM 664 CE2 PHE A 88 10.090 0.739 1.832 1.00 0.00 C ATOM 665 CZ PHE A 88 9.652 2.042 1.713 1.00 0.00 C ATOM 0 H PHE A 88 14.316 -0.529 -0.953 1.00 0.00 H new ATOM 0 HA PHE A 88 13.607 2.315 -0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.897 0.015 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.376 1.576 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.544 3.505 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.751 -0.591 1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.194 4.054 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.399 -0.039 2.120 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.618 2.285 1.908 1.00 0.00 H new ATOM 675 N ASN A 89 16.509 1.661 -1.350 1.00 0.00 N ATOM 676 CA ASN A 89 17.909 2.096 -1.392 1.00 0.00 C ATOM 677 C ASN A 89 18.596 1.599 -2.671 1.00 0.00 C ATOM 678 O ASN A 89 19.227 2.377 -3.388 1.00 0.00 O ATOM 679 CB ASN A 89 18.664 1.582 -0.154 1.00 0.00 C ATOM 680 CG ASN A 89 19.319 2.693 0.647 1.00 0.00 C ATOM 681 OD1 ASN A 89 18.761 3.181 1.623 1.00 0.00 O ATOM 682 ND2 ASN A 89 20.516 3.093 0.247 1.00 0.00 N ATOM 0 H ASN A 89 16.237 1.054 -2.123 1.00 0.00 H new ATOM 0 HA ASN A 89 17.927 3.186 -1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.970 1.040 0.488 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.428 0.871 -0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 89 21.004 3.830 0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 89 20.950 2.664 -0.570 1.00 0.00 H new ATOM 689 N GLY A 90 18.467 0.294 -2.947 1.00 0.00 N ATOM 690 CA GLY A 90 19.079 -0.297 -4.136 1.00 0.00 C ATOM 691 C GLY A 90 19.697 -1.663 -3.867 1.00 0.00 C ATOM 692 O GLY A 90 20.917 -1.818 -3.920 1.00 0.00 O ATOM 0 H GLY A 90 17.948 -0.364 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.325 -0.392 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.848 0.376 -4.515 1.00 0.00 H new ATOM 696 N ILE A 91 18.849 -2.651 -3.568 1.00 0.00 N ATOM 697 CA ILE A 91 19.305 -4.019 -3.273 1.00 0.00 C ATOM 698 C ILE A 91 18.523 -5.055 -4.105 1.00 0.00 C ATOM 699 O ILE A 91 17.572 -4.699 -4.807 1.00 0.00 O ATOM 700 CB ILE A 91 19.151 -4.329 -1.756 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.549 -3.111 -0.913 1.00 0.00 C ATOM 702 CG2 ILE A 91 19.992 -5.530 -1.351 1.00 0.00 C ATOM 703 CD1 ILE A 91 18.410 -2.524 -0.104 1.00 0.00 C ATOM 0 H ILE A 91 17.837 -2.531 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 91 20.359 -4.086 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 91 18.102 -4.563 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.353 -3.398 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.948 -2.340 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.863 -5.722 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.674 -6.405 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 91 21.042 -5.325 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 91 18.771 -1.667 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 91 17.614 -2.204 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 91 18.025 -3.278 0.582 1.00 0.00 H new ATOM 715 N LYS A 92 18.928 -6.333 -4.036 1.00 0.00 N ATOM 716 CA LYS A 92 18.268 -7.416 -4.791 1.00 0.00 C ATOM 717 C LYS A 92 18.674 -7.382 -6.265 1.00 0.00 C ATOM 718 O LYS A 92 19.249 -8.338 -6.774 1.00 0.00 O ATOM 719 CB LYS A 92 16.735 -7.337 -4.675 1.00 0.00 C ATOM 720 CG LYS A 92 16.124 -8.299 -3.658 1.00 0.00 C ATOM 721 CD LYS A 92 16.466 -7.912 -2.223 1.00 0.00 C ATOM 722 CE LYS A 92 15.513 -6.856 -1.675 1.00 0.00 C ATOM 723 NZ LYS A 92 15.704 -5.527 -2.333 1.00 0.00 N ATOM 0 H LYS A 92 19.712 -6.645 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 92 18.598 -8.357 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.456 -6.318 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 92 16.299 -7.538 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.041 -8.315 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.482 -9.309 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.428 -8.798 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.488 -7.534 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.485 -7.187 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.666 -6.753 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.511 -4.769 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.684 -5.445 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.051 -5.441 -3.138 1.00 0.00 H new ATOM 737 N TYR A 93 18.357 -6.271 -6.942 1.00 0.00 N ATOM 738 CA TYR A 93 18.671 -6.082 -8.368 1.00 0.00 C ATOM 739 C TYR A 93 18.176 -7.251 -9.239 1.00 0.00 C ATOM 740 O TYR A 93 18.607 -7.407 -10.382 1.00 0.00 O ATOM 741 CB TYR A 93 20.182 -5.843 -8.589 1.00 0.00 C ATOM 742 CG TYR A 93 21.089 -6.421 -7.518 1.00 0.00 C ATOM 743 CD1 TYR A 93 21.335 -5.731 -6.334 1.00 0.00 C ATOM 744 CD2 TYR A 93 21.704 -7.656 -7.692 1.00 0.00 C ATOM 745 CE1 TYR A 93 22.159 -6.259 -5.357 1.00 0.00 C ATOM 746 CE2 TYR A 93 22.527 -8.188 -6.719 1.00 0.00 C ATOM 747 CZ TYR A 93 22.754 -7.485 -5.557 1.00 0.00 C ATOM 748 OH TYR A 93 23.573 -8.014 -4.586 1.00 0.00 O ATOM 0 H TYR A 93 17.876 -5.477 -6.519 1.00 0.00 H new ATOM 0 HA TYR A 93 18.132 -5.189 -8.684 1.00 0.00 H new ATOM 0 HB2 TYR A 93 20.465 -6.270 -9.551 1.00 0.00 H new ATOM 0 HB3 TYR A 93 20.359 -4.769 -8.652 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.874 -4.767 -6.176 1.00 0.00 H new ATOM 0 HD2 TYR A 93 21.535 -8.209 -8.604 1.00 0.00 H new ATOM 0 HE1 TYR A 93 22.335 -5.713 -4.442 1.00 0.00 H new ATOM 0 HE2 TYR A 93 22.991 -9.152 -6.869 1.00 0.00 H new ATOM 0 HH TYR A 93 23.912 -8.884 -4.882 1.00 0.00 H new ATOM 758 N ASN A 94 17.257 -8.057 -8.697 1.00 0.00 N ATOM 759 CA ASN A 94 16.690 -9.195 -9.421 1.00 0.00 C ATOM 760 C ASN A 94 15.554 -9.842 -8.615 1.00 0.00 C ATOM 761 O ASN A 94 15.448 -11.068 -8.544 1.00 0.00 O ATOM 762 CB ASN A 94 17.781 -10.231 -9.714 1.00 0.00 C ATOM 763 CG ASN A 94 17.726 -10.754 -11.134 1.00 0.00 C ATOM 764 OD1 ASN A 94 16.700 -11.253 -11.582 1.00 0.00 O ATOM 765 ND2 ASN A 94 18.833 -10.646 -11.848 1.00 0.00 N ATOM 0 H ASN A 94 16.889 -7.939 -7.753 1.00 0.00 H new ATOM 0 HA ASN A 94 16.281 -8.832 -10.364 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.759 -9.784 -9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.679 -11.065 -9.020 1.00 0.00 H new ATOM 0 HD21 ASN A 94 18.855 -10.985 -12.810 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.666 -10.224 -11.437 1.00 0.00 H new ATOM 772 N THR A 95 14.703 -9.014 -8.002 1.00 0.00 N ATOM 773 CA THR A 95 13.588 -9.533 -7.208 1.00 0.00 C ATOM 774 C THR A 95 12.349 -9.728 -8.070 1.00 0.00 C ATOM 775 O THR A 95 11.797 -8.771 -8.613 1.00 0.00 O ATOM 776 CB THR A 95 13.258 -8.619 -6.022 1.00 0.00 C ATOM 777 OG1 THR A 95 12.098 -9.087 -5.356 1.00 0.00 O ATOM 778 CG2 THR A 95 13.012 -7.172 -6.405 1.00 0.00 C ATOM 0 H THR A 95 14.763 -7.996 -8.039 1.00 0.00 H new ATOM 0 HA THR A 95 13.903 -10.499 -6.814 1.00 0.00 H new ATOM 0 HB THR A 95 14.140 -8.651 -5.382 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.757 -8.387 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.785 -6.592 -5.510 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.903 -6.766 -6.884 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.171 -7.116 -7.096 1.00 0.00 H new ATOM 786 N THR A 96 11.918 -10.977 -8.186 1.00 0.00 N ATOM 787 CA THR A 96 10.738 -11.304 -8.977 1.00 0.00 C ATOM 788 C THR A 96 9.638 -11.889 -8.089 1.00 0.00 C ATOM 789 O THR A 96 8.899 -12.787 -8.500 1.00 0.00 O ATOM 790 CB THR A 96 11.100 -12.273 -10.113 1.00 0.00 C ATOM 791 OG1 THR A 96 12.374 -11.966 -10.659 1.00 0.00 O ATOM 792 CG2 THR A 96 10.113 -12.245 -11.258 1.00 0.00 C ATOM 0 H THR A 96 12.366 -11.779 -7.744 1.00 0.00 H new ATOM 0 HA THR A 96 10.358 -10.385 -9.424 1.00 0.00 H new ATOM 0 HB THR A 96 11.090 -13.261 -9.653 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.582 -12.598 -11.379 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.427 -12.952 -12.026 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.124 -12.522 -10.893 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.076 -11.241 -11.682 1.00 0.00 H new ATOM 800 N ARG A 97 9.531 -11.361 -6.863 1.00 0.00 N ATOM 801 CA ARG A 97 8.519 -11.812 -5.906 1.00 0.00 C ATOM 802 C ARG A 97 7.372 -10.798 -5.808 1.00 0.00 C ATOM 803 O ARG A 97 7.466 -9.684 -6.327 1.00 0.00 O ATOM 804 CB ARG A 97 9.137 -12.032 -4.513 1.00 0.00 C ATOM 805 CG ARG A 97 10.504 -12.702 -4.532 1.00 0.00 C ATOM 806 CD ARG A 97 10.459 -14.088 -3.905 1.00 0.00 C ATOM 807 NE ARG A 97 9.981 -15.100 -4.854 1.00 0.00 N ATOM 808 CZ ARG A 97 10.765 -15.824 -5.643 1.00 0.00 C ATOM 809 NH1 ARG A 97 12.071 -15.657 -5.631 1.00 0.00 N ATOM 810 NH2 ARG A 97 10.227 -16.712 -6.455 1.00 0.00 N ATOM 0 H ARG A 97 10.136 -10.619 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 97 8.123 -12.761 -6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.225 -11.068 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.456 -12.640 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.858 -12.779 -5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.221 -12.082 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.454 -14.360 -3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.806 -14.071 -3.032 1.00 0.00 H new ATOM 0 HE ARG A 97 8.975 -15.258 -4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.491 -14.965 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.663 -16.220 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.215 -16.839 -6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.823 -17.272 -7.065 1.00 0.00 H new ATOM 824 N ASN A 98 6.292 -11.194 -5.138 1.00 0.00 N ATOM 825 CA ASN A 98 5.121 -10.326 -4.965 1.00 0.00 C ATOM 826 C ASN A 98 4.415 -10.596 -3.627 1.00 0.00 C ATOM 827 O ASN A 98 4.452 -11.715 -3.107 1.00 0.00 O ATOM 828 CB ASN A 98 4.143 -10.515 -6.135 1.00 0.00 C ATOM 829 CG ASN A 98 3.759 -11.966 -6.365 1.00 0.00 C ATOM 830 OD1 ASN A 98 4.607 -12.856 -6.358 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.478 -12.210 -6.581 1.00 0.00 N ATOM 0 H ASN A 98 6.200 -12.112 -4.704 1.00 0.00 H new ATOM 0 HA ASN A 98 5.467 -9.292 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.241 -9.933 -5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.593 -10.116 -7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.162 -13.165 -6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.805 -11.443 -6.579 1.00 0.00 H new ATOM 838 N ALA A 99 3.775 -9.561 -3.070 1.00 0.00 N ATOM 839 CA ALA A 99 3.067 -9.682 -1.795 1.00 0.00 C ATOM 840 C ALA A 99 1.657 -10.240 -1.983 1.00 0.00 C ATOM 841 O ALA A 99 1.147 -10.324 -3.104 1.00 0.00 O ATOM 842 CB ALA A 99 3.011 -8.330 -1.094 1.00 0.00 C ATOM 0 H ALA A 99 3.734 -8.630 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 99 3.621 -10.386 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.482 -8.433 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.024 -7.975 -0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.487 -7.614 -1.726 1.00 0.00 H new ATOM 848 N TYR A 100 1.032 -10.616 -0.870 1.00 0.00 N ATOM 849 CA TYR A 100 -0.323 -11.171 -0.897 1.00 0.00 C ATOM 850 C TYR A 100 -1.124 -10.768 0.344 1.00 0.00 C ATOM 851 O TYR A 100 -0.814 -11.190 1.462 1.00 0.00 O ATOM 852 CB TYR A 100 -0.259 -12.700 -1.003 1.00 0.00 C ATOM 853 CG TYR A 100 0.159 -13.199 -2.367 1.00 0.00 C ATOM 854 CD1 TYR A 100 -0.756 -13.277 -3.409 1.00 0.00 C ATOM 855 CD2 TYR A 100 1.470 -13.581 -2.617 1.00 0.00 C ATOM 856 CE1 TYR A 100 -0.376 -13.724 -4.659 1.00 0.00 C ATOM 857 CE2 TYR A 100 1.855 -14.030 -3.864 1.00 0.00 C ATOM 858 CZ TYR A 100 0.931 -14.098 -4.878 1.00 0.00 C ATOM 859 OH TYR A 100 1.318 -14.536 -6.122 1.00 0.00 O ATOM 0 H TYR A 100 1.440 -10.547 0.062 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.833 -10.764 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.441 -13.078 -0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.238 -13.113 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.781 -12.983 -3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.200 -13.526 -1.823 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -1.099 -13.780 -5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.878 -14.327 -4.042 1.00 0.00 H new ATOM 0 HH TYR A 100 0.631 -14.301 -6.780 1.00 0.00 H new ATOM 869 N ARG A 101 -2.164 -9.957 0.141 1.00 0.00 N ATOM 870 CA ARG A 101 -3.017 -9.514 1.242 1.00 0.00 C ATOM 871 C ARG A 101 -4.500 -9.611 0.866 1.00 0.00 C ATOM 872 O ARG A 101 -5.003 -8.849 0.039 1.00 0.00 O ATOM 873 CB ARG A 101 -2.659 -8.085 1.677 1.00 0.00 C ATOM 874 CG ARG A 101 -2.988 -7.010 0.659 1.00 0.00 C ATOM 875 CD ARG A 101 -3.707 -5.843 1.314 1.00 0.00 C ATOM 876 NE ARG A 101 -2.811 -5.119 2.224 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.183 -4.471 3.316 1.00 0.00 C ATOM 878 NH1 ARG A 101 -4.451 -4.325 3.615 1.00 0.00 N ATOM 879 NH2 ARG A 101 -2.262 -3.931 4.084 1.00 0.00 N ATOM 0 H ARG A 101 -2.434 -9.595 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.839 -10.180 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.185 -7.860 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.592 -8.043 1.897 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.071 -6.658 0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -3.612 -7.430 -0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.079 -5.164 0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.574 -6.208 1.865 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.817 -5.115 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.168 -4.714 3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.721 -3.823 4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.277 -4.015 3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.533 -3.428 4.929 1.00 0.00 H new ATOM 893 N GLU A 102 -5.190 -10.563 1.482 1.00 0.00 N ATOM 894 CA GLU A 102 -6.611 -10.773 1.220 1.00 0.00 C ATOM 895 C GLU A 102 -7.459 -9.676 1.854 1.00 0.00 C ATOM 896 O GLU A 102 -7.042 -9.024 2.815 1.00 0.00 O ATOM 897 CB GLU A 102 -7.048 -12.133 1.759 1.00 0.00 C ATOM 898 CG GLU A 102 -8.348 -12.638 1.150 1.00 0.00 C ATOM 899 CD GLU A 102 -8.833 -13.915 1.797 1.00 0.00 C ATOM 900 OE1 GLU A 102 -9.300 -13.853 2.952 1.00 0.00 O ATOM 901 OE2 GLU A 102 -8.742 -14.976 1.148 1.00 0.00 O ATOM 0 H GLU A 102 -4.789 -11.203 2.167 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.760 -10.742 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.260 -12.861 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.165 -12.066 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.115 -11.870 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.204 -12.807 0.083 1.00 0.00 H new ATOM 908 N CYS A 103 -8.660 -9.483 1.321 1.00 0.00 N ATOM 909 CA CYS A 103 -9.569 -8.471 1.850 1.00 0.00 C ATOM 910 C CYS A 103 -10.564 -9.078 2.842 1.00 0.00 C ATOM 911 O CYS A 103 -11.746 -8.724 2.848 1.00 0.00 O ATOM 912 CB CYS A 103 -10.313 -7.775 0.712 1.00 0.00 C ATOM 913 SG CYS A 103 -10.287 -5.962 0.847 1.00 0.00 S ATOM 0 H CYS A 103 -9.026 -10.010 0.528 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.971 -7.733 2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.868 -8.069 -0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.348 -8.118 0.699 1.00 0.00 H new ATOM 918 N LEU A 104 -10.069 -9.994 3.687 1.00 0.00 N ATOM 919 CA LEU A 104 -10.896 -10.656 4.697 1.00 0.00 C ATOM 920 C LEU A 104 -12.154 -11.283 4.075 1.00 0.00 C ATOM 921 O LEU A 104 -12.261 -11.414 2.851 1.00 0.00 O ATOM 922 CB LEU A 104 -11.273 -9.647 5.794 1.00 0.00 C ATOM 923 CG LEU A 104 -10.641 -9.894 7.169 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.271 -8.574 7.825 1.00 0.00 C ATOM 925 CD2 LEU A 104 -11.584 -10.674 8.068 1.00 0.00 C ATOM 0 H LEU A 104 -9.094 -10.292 3.688 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.318 -11.468 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.989 -8.650 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.357 -9.649 5.907 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.737 -10.485 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.823 -8.765 8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.557 -8.043 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.167 -7.966 7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.112 -10.836 9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.507 -10.110 8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.811 -11.637 7.610 1.00 0.00 H new ATOM 937 N GLU A 105 -13.097 -11.676 4.930 1.00 0.00 N ATOM 938 CA GLU A 105 -14.348 -12.295 4.477 1.00 0.00 C ATOM 939 C GLU A 105 -15.581 -11.507 4.959 1.00 0.00 C ATOM 940 O GLU A 105 -16.717 -11.927 4.743 1.00 0.00 O ATOM 941 CB GLU A 105 -14.417 -13.749 4.962 1.00 0.00 C ATOM 942 CG GLU A 105 -14.759 -14.752 3.862 1.00 0.00 C ATOM 943 CD GLU A 105 -16.104 -15.417 4.066 1.00 0.00 C ATOM 944 OE1 GLU A 105 -16.184 -16.361 4.880 1.00 0.00 O ATOM 945 OE2 GLU A 105 -17.078 -14.998 3.407 1.00 0.00 O ATOM 0 H GLU A 105 -13.021 -11.578 5.942 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.356 -12.278 3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.458 -14.021 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.164 -13.823 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.754 -14.242 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.984 -15.517 3.822 1.00 0.00 H new ATOM 952 N ASN A 106 -15.351 -10.360 5.608 1.00 0.00 N ATOM 953 CA ASN A 106 -16.440 -9.519 6.114 1.00 0.00 C ATOM 954 C ASN A 106 -16.591 -8.228 5.295 1.00 0.00 C ATOM 955 O ASN A 106 -17.687 -7.680 5.192 1.00 0.00 O ATOM 956 CB ASN A 106 -16.201 -9.173 7.588 1.00 0.00 C ATOM 957 CG ASN A 106 -16.350 -10.369 8.505 1.00 0.00 C ATOM 958 OD1 ASN A 106 -17.400 -11.002 8.552 1.00 0.00 O ATOM 959 ND2 ASN A 106 -15.301 -10.677 9.253 1.00 0.00 N ATOM 0 H ASN A 106 -14.418 -9.993 5.795 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.365 -10.088 6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.200 -8.757 7.701 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.904 -8.398 7.893 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.348 -11.466 9.898 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.446 -10.125 9.184 1.00 0.00 H new ATOM 966 N GLY A 107 -15.485 -7.742 4.721 1.00 0.00 N ATOM 967 CA GLY A 107 -15.526 -6.516 3.927 1.00 0.00 C ATOM 968 C GLY A 107 -14.376 -5.562 4.224 1.00 0.00 C ATOM 969 O GLY A 107 -14.204 -4.566 3.522 1.00 0.00 O ATOM 0 H GLY A 107 -14.564 -8.174 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.507 -6.777 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.470 -6.004 4.112 1.00 0.00 H new ATOM 973 N THR A 108 -13.589 -5.860 5.261 1.00 0.00 N ATOM 974 CA THR A 108 -12.454 -5.014 5.640 1.00 0.00 C ATOM 975 C THR A 108 -11.134 -5.605 5.129 1.00 0.00 C ATOM 976 O THR A 108 -11.065 -6.782 4.787 1.00 0.00 O ATOM 977 CB THR A 108 -12.400 -4.861 7.166 1.00 0.00 C ATOM 978 OG1 THR A 108 -12.523 -6.123 7.803 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.490 -3.971 7.724 1.00 0.00 C ATOM 0 H THR A 108 -13.717 -6.681 5.853 1.00 0.00 H new ATOM 0 HA THR A 108 -12.592 -4.034 5.183 1.00 0.00 H new ATOM 0 HB THR A 108 -11.433 -4.400 7.369 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.484 -6.004 8.775 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.390 -3.909 8.808 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.401 -2.974 7.294 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.465 -4.389 7.473 1.00 0.00 H new ATOM 987 N TRP A 109 -10.085 -4.788 5.084 1.00 0.00 N ATOM 988 CA TRP A 109 -8.773 -5.252 4.623 1.00 0.00 C ATOM 989 C TRP A 109 -8.086 -6.126 5.686 1.00 0.00 C ATOM 990 O TRP A 109 -8.406 -6.045 6.874 1.00 0.00 O ATOM 991 CB TRP A 109 -7.880 -4.056 4.270 1.00 0.00 C ATOM 992 CG TRP A 109 -8.060 -3.555 2.866 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.640 -2.378 2.480 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.651 -4.214 1.661 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.611 -2.264 1.110 1.00 0.00 N ATOM 996 CE2 TRP A 109 -8.011 -3.378 0.586 1.00 0.00 C ATOM 997 CE3 TRP A 109 -7.014 -5.429 1.386 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.753 -3.716 -0.737 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.759 -5.764 0.070 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -7.127 -4.909 -0.978 1.00 0.00 C ATOM 0 H TRP A 109 -10.114 -3.806 5.359 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.927 -5.859 3.731 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.088 -3.242 4.965 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.837 -4.339 4.413 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.060 -1.645 3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.977 -1.478 0.572 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.727 -6.093 2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -8.037 -3.060 -1.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -6.268 -6.699 -0.155 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.912 -5.197 -1.996 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.136 -6.957 5.254 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.408 -7.834 6.172 1.00 0.00 C ATOM 1013 C ALA A 110 -5.347 -7.058 6.964 1.00 0.00 C ATOM 1014 O ALA A 110 -5.127 -5.868 6.731 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.762 -8.983 5.405 1.00 0.00 C ATOM 0 H ALA A 110 -6.854 -7.041 4.278 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.125 -8.242 6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.224 -9.627 6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.534 -9.561 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.066 -8.583 4.668 1.00 0.00 H new ATOM 1021 N SER A 111 -4.689 -7.744 7.899 1.00 0.00 N ATOM 1022 CA SER A 111 -3.646 -7.119 8.718 1.00 0.00 C ATOM 1023 C SER A 111 -2.245 -7.430 8.174 1.00 0.00 C ATOM 1024 O SER A 111 -1.328 -6.624 8.315 1.00 0.00 O ATOM 1025 CB SER A 111 -3.758 -7.577 10.175 1.00 0.00 C ATOM 1026 OG SER A 111 -4.127 -6.500 11.023 1.00 0.00 O ATOM 0 H SER A 111 -4.857 -8.728 8.109 1.00 0.00 H new ATOM 0 HA SER A 111 -3.795 -6.040 8.673 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.497 -8.375 10.253 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.805 -7.992 10.503 1.00 0.00 H new ATOM 0 HG SER A 111 -4.193 -6.819 11.947 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.090 -8.599 7.545 1.00 0.00 N ATOM 1033 CA ARG A 112 -0.801 -9.006 6.973 1.00 0.00 C ATOM 1034 C ARG A 112 -0.844 -9.003 5.442 1.00 0.00 C ATOM 1035 O ARG A 112 -1.915 -9.061 4.839 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.369 -10.394 7.485 1.00 0.00 C ATOM 1037 CG ARG A 112 -1.508 -11.300 7.950 1.00 0.00 C ATOM 1038 CD ARG A 112 -2.042 -12.160 6.815 1.00 0.00 C ATOM 1039 NE ARG A 112 -3.449 -12.529 7.015 1.00 0.00 N ATOM 1040 CZ ARG A 112 -3.872 -13.668 7.553 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -3.016 -14.568 7.988 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -5.166 -13.898 7.658 1.00 0.00 N ATOM 0 H ARG A 112 -2.839 -9.280 7.419 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.063 -8.274 7.300 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.177 -10.903 6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.326 -10.258 8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.156 -11.941 8.758 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.315 -10.690 8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.940 -11.621 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.439 -13.064 6.732 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.158 -11.858 6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.013 -14.396 7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.355 -15.438 8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -5.836 -13.204 7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.497 -14.770 8.070 1.00 0.00 H new ATOM 1056 N VAL A 113 0.335 -8.924 4.827 1.00 0.00 N ATOM 1057 CA VAL A 113 0.460 -8.899 3.364 1.00 0.00 C ATOM 1058 C VAL A 113 1.499 -9.921 2.876 1.00 0.00 C ATOM 1059 O VAL A 113 2.116 -9.744 1.822 1.00 0.00 O ATOM 1060 CB VAL A 113 0.870 -7.487 2.877 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.732 -7.368 1.371 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.057 -6.404 3.575 1.00 0.00 C ATOM 0 H VAL A 113 1.226 -8.876 5.321 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.514 -9.160 2.949 1.00 0.00 H new ATOM 0 HB VAL A 113 1.919 -7.343 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.026 -6.367 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.375 -8.104 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.304 -7.548 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.368 -5.425 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.002 -6.550 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.222 -6.461 4.651 1.00 0.00 H new ATOM 1072 N ASN A 114 1.694 -10.990 3.655 1.00 0.00 N ATOM 1073 CA ASN A 114 2.660 -12.030 3.318 1.00 0.00 C ATOM 1074 C ASN A 114 4.071 -11.439 3.196 1.00 0.00 C ATOM 1075 O ASN A 114 4.707 -11.514 2.144 1.00 0.00 O ATOM 1076 CB ASN A 114 2.247 -12.734 2.026 1.00 0.00 C ATOM 1077 CG ASN A 114 2.833 -14.130 1.907 1.00 0.00 C ATOM 1078 OD1 ASN A 114 4.046 -14.316 1.952 1.00 0.00 O ATOM 1079 ND2 ASN A 114 1.969 -15.122 1.754 1.00 0.00 N ATOM 0 H ASN A 114 1.191 -11.154 4.527 1.00 0.00 H new ATOM 0 HA ASN A 114 2.675 -12.767 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 114 1.160 -12.796 1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.567 -12.136 1.173 1.00 0.00 H new ATOM 0 HD21 ASN A 114 2.304 -16.082 1.669 1.00 0.00 H new ATOM 0 HD22 ASN A 114 0.968 -14.926 1.721 1.00 0.00 H new ATOM 1086 N TYR A 115 4.551 -10.851 4.291 1.00 0.00 N ATOM 1087 CA TYR A 115 5.889 -10.244 4.318 1.00 0.00 C ATOM 1088 C TYR A 115 6.993 -11.310 4.425 1.00 0.00 C ATOM 1089 O TYR A 115 8.179 -10.994 4.325 1.00 0.00 O ATOM 1090 CB TYR A 115 6.013 -9.240 5.475 1.00 0.00 C ATOM 1091 CG TYR A 115 4.756 -8.427 5.730 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.401 -7.373 4.896 1.00 0.00 C ATOM 1093 CD2 TYR A 115 3.923 -8.719 6.804 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.253 -6.634 5.128 1.00 0.00 C ATOM 1095 CE2 TYR A 115 2.777 -7.984 7.041 1.00 0.00 C ATOM 1096 CZ TYR A 115 2.446 -6.947 6.200 1.00 0.00 C ATOM 1097 OH TYR A 115 1.301 -6.222 6.431 1.00 0.00 O ATOM 0 H TYR A 115 4.039 -10.780 5.170 1.00 0.00 H new ATOM 0 HA TYR A 115 6.021 -9.713 3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.273 -9.781 6.385 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.837 -8.558 5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.030 -7.127 4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.176 -9.535 7.465 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.992 -5.817 4.472 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.144 -8.223 7.883 1.00 0.00 H new ATOM 0 HH TYR A 115 0.880 -6.530 7.261 1.00 0.00 H new ATOM 1107 N SER A 116 6.594 -12.572 4.620 1.00 0.00 N ATOM 1108 CA SER A 116 7.544 -13.682 4.726 1.00 0.00 C ATOM 1109 C SER A 116 8.360 -13.827 3.444 1.00 0.00 C ATOM 1110 O SER A 116 9.534 -14.189 3.489 1.00 0.00 O ATOM 1111 CB SER A 116 6.804 -14.987 5.022 1.00 0.00 C ATOM 1112 OG SER A 116 7.177 -15.505 6.288 1.00 0.00 O ATOM 0 H SER A 116 5.616 -12.849 4.708 1.00 0.00 H new ATOM 0 HA SER A 116 8.227 -13.464 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.728 -14.813 4.999 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.025 -15.719 4.246 1.00 0.00 H new ATOM 0 HG SER A 116 6.690 -16.339 6.457 1.00 0.00 H new ATOM 1118 N HIS A 117 7.726 -13.530 2.304 1.00 0.00 N ATOM 1119 CA HIS A 117 8.392 -13.606 1.004 1.00 0.00 C ATOM 1120 C HIS A 117 9.363 -12.426 0.833 1.00 0.00 C ATOM 1121 O HIS A 117 9.832 -11.856 1.820 1.00 0.00 O ATOM 1122 CB HIS A 117 7.338 -13.626 -0.114 1.00 0.00 C ATOM 1123 CG HIS A 117 7.461 -14.795 -1.042 1.00 0.00 C ATOM 1124 ND1 HIS A 117 7.721 -16.074 -0.606 1.00 0.00 N ATOM 1125 CD2 HIS A 117 7.349 -14.873 -2.388 1.00 0.00 C ATOM 1126 CE1 HIS A 117 7.767 -16.891 -1.642 1.00 0.00 C ATOM 1127 NE2 HIS A 117 7.542 -16.189 -2.738 1.00 0.00 N ATOM 0 H HIS A 117 6.751 -13.235 2.258 1.00 0.00 H new ATOM 0 HA HIS A 117 8.974 -14.526 0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.345 -13.634 0.336 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.418 -12.705 -0.692 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.146 -14.054 -3.062 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.957 -17.953 -1.600 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.516 -16.561 -3.687 1.00 0.00 H new ATOM 1136 N CYS A 118 9.673 -12.052 -0.410 1.00 0.00 N ATOM 1137 CA CYS A 118 10.589 -10.935 -0.658 1.00 0.00 C ATOM 1138 C CYS A 118 12.002 -11.276 -0.182 1.00 0.00 C ATOM 1139 O CYS A 118 12.545 -10.612 0.693 1.00 0.00 O ATOM 1140 CB CYS A 118 10.081 -9.670 0.047 1.00 0.00 C ATOM 1141 SG CYS A 118 8.335 -9.277 -0.298 1.00 0.00 S ATOM 0 H CYS A 118 9.309 -12.499 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 118 10.626 -10.751 -1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.210 -9.790 1.123 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.699 -8.825 -0.256 1.00 0.00 H new ATOM 1146 N GLU A 119 12.580 -12.319 -0.768 1.00 0.00 N ATOM 1147 CA GLU A 119 13.931 -12.773 -0.425 1.00 0.00 C ATOM 1148 C GLU A 119 14.960 -12.177 -1.399 1.00 0.00 C ATOM 1149 O GLU A 119 14.576 -11.624 -2.430 1.00 0.00 O ATOM 1150 CB GLU A 119 13.967 -14.306 -0.490 1.00 0.00 C ATOM 1151 CG GLU A 119 13.591 -14.856 -1.857 1.00 0.00 C ATOM 1152 CD GLU A 119 14.226 -16.196 -2.147 1.00 0.00 C ATOM 1153 OE1 GLU A 119 15.466 -16.250 -2.282 1.00 0.00 O ATOM 1154 OE2 GLU A 119 13.480 -17.191 -2.238 1.00 0.00 O ATOM 0 H GLU A 119 12.129 -12.876 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 119 14.184 -12.440 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.968 -14.651 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 119 13.285 -14.711 0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.507 -14.952 -1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.892 -14.143 -2.625 1.00 0.00 H new ATOM 1161 N PRO A 120 16.280 -12.265 -1.094 1.00 0.00 N ATOM 1162 CA PRO A 120 17.325 -11.723 -1.982 1.00 0.00 C ATOM 1163 C PRO A 120 17.310 -12.385 -3.374 1.00 0.00 C ATOM 1164 O PRO A 120 16.286 -12.908 -3.814 1.00 0.00 O ATOM 1165 CB PRO A 120 18.637 -12.026 -1.232 1.00 0.00 C ATOM 1166 CG PRO A 120 18.294 -13.102 -0.265 1.00 0.00 C ATOM 1167 CD PRO A 120 16.859 -12.877 0.121 1.00 0.00 C ATOM 0 HA PRO A 120 17.183 -10.661 -2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.418 -12.349 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.011 -11.140 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.426 -14.086 -0.715 1.00 0.00 H new ATOM 0 HG3 PRO A 120 18.943 -13.061 0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.360 -13.811 0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.772 -12.219 0.985 1.00 0.00 H new ATOM 1175 N ILE A 121 18.438 -12.352 -4.079 1.00 0.00 N ATOM 1176 CA ILE A 121 18.511 -12.939 -5.416 1.00 0.00 C ATOM 1177 C ILE A 121 19.373 -14.207 -5.458 1.00 0.00 C ATOM 1178 O ILE A 121 20.527 -14.209 -5.023 1.00 0.00 O ATOM 1179 CB ILE A 121 19.007 -11.912 -6.460 1.00 0.00 C ATOM 1180 CG1 ILE A 121 20.384 -11.330 -6.092 1.00 0.00 C ATOM 1181 CG2 ILE A 121 17.975 -10.807 -6.616 1.00 0.00 C ATOM 1182 CD1 ILE A 121 20.365 -10.300 -4.979 1.00 0.00 C ATOM 0 H ILE A 121 19.307 -11.930 -3.752 1.00 0.00 H new ATOM 0 HA ILE A 121 17.493 -13.231 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 121 19.131 -12.429 -7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 121 21.042 -12.148 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 121 20.819 -10.874 -6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 121 18.325 -10.083 -7.352 1.00 0.00 H new ATOM 0 HG22 ILE A 121 17.030 -11.236 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 121 17.828 -10.308 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 121 21.380 -9.949 -4.791 1.00 0.00 H new ATOM 0 HD12 ILE A 121 19.738 -9.458 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 121 19.964 -10.752 -4.072 1.00 0.00 H new ATOM 1260 N GLU B 230 20.996 -3.429 5.265 1.00 0.00 N ATOM 1261 CA GLU B 230 20.165 -2.311 4.823 1.00 0.00 C ATOM 1262 C GLU B 230 18.788 -2.799 4.368 1.00 0.00 C ATOM 1263 O GLU B 230 17.759 -2.317 4.842 1.00 0.00 O ATOM 1264 CB GLU B 230 20.843 -1.557 3.677 1.00 0.00 C ATOM 1265 CG GLU B 230 20.539 -0.061 3.667 1.00 0.00 C ATOM 1266 CD GLU B 230 21.157 0.685 4.859 1.00 0.00 C ATOM 1267 OE1 GLU B 230 22.310 0.439 5.235 1.00 0.00 O ATOM 0 HA GLU B 230 20.038 -1.637 5.670 1.00 0.00 H new ATOM 0 HB2 GLU B 230 21.921 -1.700 3.747 1.00 0.00 H new ATOM 0 HB3 GLU B 230 20.525 -1.991 2.729 1.00 0.00 H new ATOM 0 HG2 GLU B 230 20.913 0.374 2.740 1.00 0.00 H new ATOM 0 HG3 GLU B 230 19.459 0.085 3.675 1.00 0.00 H new ATOM 1274 N ALA B 231 18.779 -3.770 3.449 1.00 0.00 N ATOM 1275 CA ALA B 231 17.525 -4.332 2.939 1.00 0.00 C ATOM 1276 C ALA B 231 16.755 -5.070 4.034 1.00 0.00 C ATOM 1277 O ALA B 231 15.557 -5.308 3.898 1.00 0.00 O ATOM 1278 CB ALA B 231 17.803 -5.260 1.768 1.00 0.00 C ATOM 0 H ALA B 231 19.621 -4.181 3.045 1.00 0.00 H new ATOM 0 HA ALA B 231 16.902 -3.505 2.597 1.00 0.00 H new ATOM 0 HB1 ALA B 231 16.864 -5.671 1.398 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.294 -4.702 0.970 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.451 -6.073 2.094 1.00 0.00 H new ATOM 1284 N HIS B 232 17.450 -5.416 5.127 1.00 0.00 N ATOM 1285 CA HIS B 232 16.824 -6.106 6.252 1.00 0.00 C ATOM 1286 C HIS B 232 15.845 -5.168 6.950 1.00 0.00 C ATOM 1287 O HIS B 232 14.650 -5.465 7.037 1.00 0.00 O ATOM 1288 CB HIS B 232 17.887 -6.619 7.241 1.00 0.00 C ATOM 1289 CG HIS B 232 17.602 -7.973 7.827 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.468 -8.704 7.546 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.325 -8.728 8.690 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.503 -9.847 8.211 1.00 0.00 C ATOM 1293 NE2 HIS B 232 17.622 -9.887 8.913 1.00 0.00 N ATOM 0 H HIS B 232 18.445 -5.227 5.251 1.00 0.00 H new ATOM 0 HA HIS B 232 16.278 -6.970 5.874 1.00 0.00 H new ATOM 0 HB2 HIS B 232 18.850 -6.655 6.731 1.00 0.00 H new ATOM 0 HB3 HIS B 232 17.983 -5.900 8.054 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.279 -8.466 9.123 1.00 0.00 H new ATOM 0 HE1 HIS B 232 15.746 -10.617 8.185 1.00 0.00 H new ATOM 0 HE2 HIS B 232 17.915 -10.652 9.520 1.00 0.00 H new ATOM 1302 N LYS B 233 16.345 -4.018 7.419 1.00 0.00 N ATOM 1303 CA LYS B 233 15.488 -3.032 8.079 1.00 0.00 C ATOM 1304 C LYS B 233 14.367 -2.589 7.130 1.00 0.00 C ATOM 1305 O LYS B 233 13.214 -2.433 7.542 1.00 0.00 O ATOM 1306 CB LYS B 233 16.315 -1.822 8.566 1.00 0.00 C ATOM 1307 CG LYS B 233 17.195 -1.183 7.496 1.00 0.00 C ATOM 1308 CD LYS B 233 17.940 0.038 8.027 1.00 0.00 C ATOM 1309 CE LYS B 233 18.457 0.921 6.896 1.00 0.00 C ATOM 1310 NZ LYS B 233 19.914 0.805 6.750 1.00 0.00 N ATOM 0 H LYS B 233 17.327 -3.751 7.354 1.00 0.00 H new ATOM 0 HA LYS B 233 15.035 -3.495 8.955 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.634 -1.066 8.956 1.00 0.00 H new ATOM 0 HB3 LYS B 233 16.947 -2.140 9.395 1.00 0.00 H new ATOM 0 HG2 LYS B 233 17.914 -1.917 7.131 1.00 0.00 H new ATOM 0 HG3 LYS B 233 16.579 -0.891 6.646 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.276 0.619 8.667 1.00 0.00 H new ATOM 0 HD3 LYS B 233 18.776 -0.287 8.646 1.00 0.00 H new ATOM 0 HE2 LYS B 233 17.972 0.639 5.961 1.00 0.00 H new ATOM 0 HE3 LYS B 233 18.191 1.960 7.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 20.289 1.670 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 20.348 0.677 7.687 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 20.139 -0.014 6.150 1.00 0.00 H new ATOM 1322 N ASN B 234 14.707 -2.431 5.847 1.00 0.00 N ATOM 1323 CA ASN B 234 13.722 -2.046 4.832 1.00 0.00 C ATOM 1324 C ASN B 234 12.624 -3.103 4.751 1.00 0.00 C ATOM 1325 O ASN B 234 11.437 -2.783 4.818 1.00 0.00 O ATOM 1326 CB ASN B 234 14.394 -1.868 3.466 1.00 0.00 C ATOM 1327 CG ASN B 234 15.125 -0.543 3.340 1.00 0.00 C ATOM 1328 OD1 ASN B 234 14.573 0.511 3.640 1.00 0.00 O ATOM 1329 ND2 ASN B 234 16.370 -0.588 2.889 1.00 0.00 N ATOM 0 H ASN B 234 15.653 -2.563 5.488 1.00 0.00 H new ATOM 0 HA ASN B 234 13.278 -1.093 5.118 1.00 0.00 H new ATOM 0 HB2 ASN B 234 15.098 -2.684 3.303 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.639 -1.938 2.683 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.905 0.274 2.781 1.00 0.00 H new ATOM 0 HD22 ASN B 234 16.794 -1.485 2.650 1.00 0.00 H new ATOM 1336 N ARG B 235 13.026 -4.372 4.640 1.00 0.00 N ATOM 1337 CA ARG B 235 12.076 -5.474 4.596 1.00 0.00 C ATOM 1338 C ARG B 235 11.358 -5.587 5.951 1.00 0.00 C ATOM 1339 O ARG B 235 10.177 -5.920 6.008 1.00 0.00 O ATOM 1340 CB ARG B 235 12.810 -6.777 4.248 1.00 0.00 C ATOM 1341 CG ARG B 235 12.142 -7.613 3.167 1.00 0.00 C ATOM 1342 CD ARG B 235 12.514 -7.178 1.749 1.00 0.00 C ATOM 1343 NE ARG B 235 13.956 -7.226 1.488 1.00 0.00 N ATOM 1344 CZ ARG B 235 14.732 -8.303 1.618 1.00 0.00 C ATOM 1345 NH1 ARG B 235 14.248 -9.478 1.947 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.015 -8.203 1.393 1.00 0.00 N ATOM 0 H ARG B 235 14.004 -4.656 4.579 1.00 0.00 H new ATOM 0 HA ARG B 235 11.329 -5.288 3.825 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.822 -6.533 3.926 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.900 -7.380 5.151 1.00 0.00 H new ATOM 0 HG2 ARG B 235 12.419 -8.658 3.303 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.060 -7.551 3.286 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.000 -7.820 1.033 1.00 0.00 H new ATOM 0 HD3 ARG B 235 12.155 -6.163 1.582 1.00 0.00 H new ATOM 0 HE ARG B 235 14.404 -6.362 1.181 1.00 0.00 H new ATOM 0 HH11 ARG B 235 13.248 -9.589 2.112 1.00 0.00 H new ATOM 0 HH12 ARG B 235 14.872 -10.280 2.037 1.00 0.00 H new ATOM 0 HH21 ARG B 235 16.417 -7.306 1.120 1.00 0.00 H new ATOM 0 HH22 ARG B 235 16.615 -9.022 1.490 1.00 0.00 H new ATOM 1360 N LYS B 236 12.076 -5.276 7.040 1.00 0.00 N ATOM 1361 CA LYS B 236 11.497 -5.310 8.388 1.00 0.00 C ATOM 1362 C LYS B 236 10.289 -4.373 8.465 1.00 0.00 C ATOM 1363 O LYS B 236 9.259 -4.726 9.038 1.00 0.00 O ATOM 1364 CB LYS B 236 12.546 -4.916 9.434 1.00 0.00 C ATOM 1365 CG LYS B 236 12.788 -5.984 10.491 1.00 0.00 C ATOM 1366 CD LYS B 236 13.581 -7.159 9.931 1.00 0.00 C ATOM 1367 CE LYS B 236 12.691 -8.363 9.665 1.00 0.00 C ATOM 1368 NZ LYS B 236 13.065 -9.532 10.517 1.00 0.00 N ATOM 0 H LYS B 236 13.057 -4.999 7.012 1.00 0.00 H new ATOM 0 HA LYS B 236 11.167 -6.327 8.600 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.487 -4.699 8.928 1.00 0.00 H new ATOM 0 HB3 LYS B 236 12.228 -3.996 9.926 1.00 0.00 H new ATOM 0 HG2 LYS B 236 13.327 -5.548 11.332 1.00 0.00 H new ATOM 0 HG3 LYS B 236 11.832 -6.340 10.875 1.00 0.00 H new ATOM 0 HD2 LYS B 236 14.072 -6.858 9.006 1.00 0.00 H new ATOM 0 HD3 LYS B 236 14.367 -7.436 10.634 1.00 0.00 H new ATOM 0 HE2 LYS B 236 11.651 -8.095 9.853 1.00 0.00 H new ATOM 0 HE3 LYS B 236 12.763 -8.642 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 12.435 -10.332 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 14.049 -9.805 10.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 12.972 -9.274 11.520 1.00 0.00 H new ATOM 1382 N LEU B 237 10.413 -3.192 7.852 1.00 0.00 N ATOM 1383 CA LEU B 237 9.322 -2.212 7.817 1.00 0.00 C ATOM 1384 C LEU B 237 8.006 -2.867 7.354 1.00 0.00 C ATOM 1385 O LEU B 237 6.917 -2.382 7.671 1.00 0.00 O ATOM 1386 CB LEU B 237 9.708 -1.038 6.900 1.00 0.00 C ATOM 1387 CG LEU B 237 9.391 0.361 7.444 1.00 0.00 C ATOM 1388 CD1 LEU B 237 7.903 0.521 7.692 1.00 0.00 C ATOM 1389 CD2 LEU B 237 10.165 0.628 8.724 1.00 0.00 C ATOM 0 H LEU B 237 11.261 -2.890 7.372 1.00 0.00 H new ATOM 0 HA LEU B 237 9.159 -1.831 8.825 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.777 -1.095 6.697 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.195 -1.162 5.946 1.00 0.00 H new ATOM 0 HG LEU B 237 9.697 1.089 6.692 1.00 0.00 H new ATOM 0 HD11 LEU B 237 7.704 1.521 8.077 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.361 0.378 6.757 1.00 0.00 H new ATOM 0 HD13 LEU B 237 7.574 -0.221 8.420 1.00 0.00 H new ATOM 0 HD21 LEU B 237 9.925 1.625 9.093 1.00 0.00 H new ATOM 0 HD22 LEU B 237 9.891 -0.112 9.476 1.00 0.00 H new ATOM 0 HD23 LEU B 237 11.234 0.563 8.523 1.00 0.00 H new ATOM 1420 N GLU B 239 6.838 -5.780 8.358 1.00 0.00 N ATOM 1421 CA GLU B 239 6.164 -6.349 9.532 1.00 0.00 C ATOM 1422 C GLU B 239 5.257 -5.309 10.196 1.00 0.00 C ATOM 1423 O GLU B 239 4.265 -5.661 10.837 1.00 0.00 O ATOM 1424 CB GLU B 239 7.187 -6.888 10.546 1.00 0.00 C ATOM 1425 CG GLU B 239 7.977 -5.806 11.279 1.00 0.00 C ATOM 1426 CD GLU B 239 7.705 -5.783 12.770 1.00 0.00 C ATOM 1427 OE1 GLU B 239 6.616 -5.319 13.167 1.00 0.00 O ATOM 1428 OE2 GLU B 239 8.585 -6.227 13.539 1.00 0.00 O ATOM 0 HA GLU B 239 5.547 -7.180 9.191 1.00 0.00 H new ATOM 0 HB2 GLU B 239 6.664 -7.500 11.281 1.00 0.00 H new ATOM 0 HB3 GLU B 239 7.886 -7.542 10.026 1.00 0.00 H new ATOM 0 HG2 GLU B 239 9.042 -5.965 11.112 1.00 0.00 H new ATOM 0 HG3 GLU B 239 7.730 -4.833 10.855 1.00 0.00 H new ATOM 1435 N ILE B 240 5.599 -4.028 10.022 1.00 0.00 N ATOM 1436 CA ILE B 240 4.818 -2.930 10.586 1.00 0.00 C ATOM 1437 C ILE B 240 3.440 -2.825 9.917 1.00 0.00 C ATOM 1438 O ILE B 240 2.513 -2.245 10.485 1.00 0.00 O ATOM 1439 CB ILE B 240 5.552 -1.575 10.430 1.00 0.00 C ATOM 1440 CG1 ILE B 240 6.913 -1.603 11.123 1.00 0.00 C ATOM 1441 CG2 ILE B 240 4.704 -0.440 10.977 1.00 0.00 C ATOM 1442 CD1 ILE B 240 7.767 -0.390 10.819 1.00 0.00 C ATOM 0 H ILE B 240 6.417 -3.728 9.491 1.00 0.00 H new ATOM 0 HA ILE B 240 4.690 -3.150 11.646 1.00 0.00 H new ATOM 0 HB ILE B 240 5.716 -1.405 9.366 1.00 0.00 H new ATOM 0 HG12 ILE B 240 6.763 -1.672 12.200 1.00 0.00 H new ATOM 0 HG13 ILE B 240 7.449 -2.502 10.818 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.238 0.503 10.858 1.00 0.00 H new ATOM 0 HG22 ILE B 240 3.761 -0.395 10.432 1.00 0.00 H new ATOM 0 HG23 ILE B 240 4.504 -0.612 12.034 1.00 0.00 H new ATOM 0 HD11 ILE B 240 8.719 -0.475 11.343 1.00 0.00 H new ATOM 0 HD12 ILE B 240 7.947 -0.332 9.746 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.250 0.511 11.149 1.00 0.00 H new ATOM 1454 N ILE B 241 3.312 -3.377 8.705 1.00 0.00 N ATOM 1455 CA ILE B 241 2.050 -3.331 7.968 1.00 0.00 C ATOM 1456 C ILE B 241 1.076 -4.400 8.473 1.00 0.00 C ATOM 1457 O ILE B 241 0.559 -4.311 9.590 1.00 0.00 O ATOM 1458 CB ILE B 241 2.266 -3.512 6.443 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.542 -2.807 5.960 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.063 -2.996 5.673 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.740 -1.423 6.535 1.00 0.00 C ATOM 0 H ILE B 241 4.067 -3.859 8.217 1.00 0.00 H new ATOM 0 HA ILE B 241 1.622 -2.344 8.143 1.00 0.00 H new ATOM 0 HB ILE B 241 2.383 -4.579 6.254 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.404 -3.422 6.218 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.515 -2.736 4.873 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.230 -3.130 4.604 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.174 -3.550 5.974 1.00 0.00 H new ATOM 0 HG23 ILE B 241 0.920 -1.937 5.888 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.663 -0.995 6.144 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.899 -0.789 6.255 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.801 -1.486 7.621 1.00 0.00 H new