USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 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 61 GLN : amide:sc= 0 K(o=-0.0084,f=-0.54) USER MOD Set 1.2: A 83 SER OG : rot 180:sc=-0.00836 USER MOD Set 2.1: A 37 CYS SG : rot 13:sc= 0.464 USER MOD Set 2.2: A 51 HIS :FLIP no HD1:sc= -3.48! F(o=-3.8,f=-3!) USER MOD Set 3.1: A 17 SER OG : rot -38:sc= 0.248 USER MOD Set 3.2: A 24 MET CE :methyl -157:sc= -4.17! (180deg=-5.72!) USER MOD Single : A 15 THR OG1 : rot 27:sc= 0.0246 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 47:sc= 0.867 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.142) USER MOD Single : A 35 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.3!) USER MOD Single : A 49 CYS SG : rot 169:sc= 0.739 USER MOD Single : A 55 HIS : no HD1:sc= -0.125 X(o=-0.13,f=-0.24) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.792 F(o=-4.5!,f=-0.79) USER MOD Single : A 64 MET CE :methyl -170:sc= -0.612 (180deg=-0.817) USER MOD Single : A 67 CYS SG : rot -29:sc= 0.836 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -55:sc= 0.335 USER MOD Single : A 75 ASN : amide:sc= -2.52! C(o=-2.5!,f=-5.3!) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 0.31 (180deg=0.256) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.429 K(o=-0.43,f=-2.8!) USER MOD Single : A 101 LYS NZ :NH3+ -149:sc=-0.00455 (180deg=-0.913) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 15 11.178 10.713 -6.817 1.00 0.00 N ATOM 199 CA THR A 15 11.488 10.288 -5.458 1.00 0.00 C ATOM 200 C THR A 15 12.178 8.929 -5.451 1.00 0.00 C ATOM 201 O THR A 15 11.718 7.983 -6.091 1.00 0.00 O ATOM 202 CB THR A 15 10.218 10.210 -4.590 1.00 0.00 C ATOM 203 OG1 THR A 15 9.613 11.504 -4.490 1.00 0.00 O ATOM 204 CG2 THR A 15 10.545 9.688 -3.199 1.00 0.00 C ATOM 0 HA THR A 15 12.160 11.036 -5.039 1.00 0.00 H new ATOM 0 HB THR A 15 9.521 9.520 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.844 12.035 -5.280 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.633 9.642 -2.604 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.978 8.691 -3.277 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.258 10.357 -2.718 1.00 0.00 H new ATOM 212 N THR A 16 13.287 8.837 -4.723 1.00 0.00 N ATOM 213 CA THR A 16 14.042 7.593 -4.634 1.00 0.00 C ATOM 214 C THR A 16 14.545 7.356 -3.214 1.00 0.00 C ATOM 215 O THR A 16 14.696 8.296 -2.434 1.00 0.00 O ATOM 216 CB THR A 16 15.243 7.594 -5.598 1.00 0.00 C ATOM 217 OG1 THR A 16 16.002 8.797 -5.434 1.00 0.00 O ATOM 218 CG2 THR A 16 14.778 7.476 -7.042 1.00 0.00 C ATOM 0 H THR A 16 13.682 9.609 -4.187 1.00 0.00 H new ATOM 0 HA THR A 16 13.361 6.789 -4.915 1.00 0.00 H new ATOM 0 HB THR A 16 15.870 6.734 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.765 8.789 -6.049 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.644 7.479 -7.704 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.225 6.546 -7.171 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.132 8.319 -7.286 1.00 0.00 H new ATOM 226 N SER A 17 14.803 6.094 -2.886 1.00 0.00 N ATOM 227 CA SER A 17 15.286 5.734 -1.558 1.00 0.00 C ATOM 228 C SER A 17 16.426 4.724 -1.651 1.00 0.00 C ATOM 229 O SER A 17 16.345 3.746 -2.394 1.00 0.00 O ATOM 230 CB SER A 17 14.146 5.157 -0.717 1.00 0.00 C ATOM 231 OG SER A 17 13.765 3.875 -1.184 1.00 0.00 O ATOM 0 H SER A 17 14.686 5.304 -3.521 1.00 0.00 H new ATOM 0 HA SER A 17 15.662 6.637 -1.077 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.457 5.090 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.289 5.829 -0.751 1.00 0.00 H new ATOM 0 HG SER A 17 13.807 3.858 -2.163 1.00 0.00 H new ATOM 237 N SER A 18 17.489 4.969 -0.891 1.00 0.00 N ATOM 238 CA SER A 18 18.648 4.085 -0.890 1.00 0.00 C ATOM 239 C SER A 18 18.745 3.319 0.426 1.00 0.00 C ATOM 240 O SER A 18 19.487 3.706 1.329 1.00 0.00 O ATOM 241 CB SER A 18 19.929 4.888 -1.121 1.00 0.00 C ATOM 242 OG SER A 18 20.127 5.841 -0.092 1.00 0.00 O ATOM 0 H SER A 18 17.571 5.773 -0.268 1.00 0.00 H new ATOM 0 HA SER A 18 18.527 3.367 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.783 4.212 -1.164 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.875 5.395 -2.085 1.00 0.00 H new ATOM 0 HG SER A 18 19.984 5.416 0.779 1.00 0.00 H new ATOM 248 N MET A 19 17.990 2.230 0.527 1.00 0.00 N ATOM 249 CA MET A 19 17.991 1.409 1.732 1.00 0.00 C ATOM 250 C MET A 19 17.172 0.138 1.525 1.00 0.00 C ATOM 251 O MET A 19 16.429 0.020 0.551 1.00 0.00 O ATOM 252 CB MET A 19 17.434 2.201 2.916 1.00 0.00 C ATOM 253 CG MET A 19 16.056 2.790 2.659 1.00 0.00 C ATOM 254 SD MET A 19 15.735 4.263 3.648 1.00 0.00 S ATOM 255 CE MET A 19 14.467 3.655 4.758 1.00 0.00 C ATOM 0 H MET A 19 17.370 1.896 -0.211 1.00 0.00 H new ATOM 0 HA MET A 19 19.021 1.126 1.947 1.00 0.00 H new ATOM 0 HB2 MET A 19 17.384 1.549 3.788 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.125 3.008 3.160 1.00 0.00 H new ATOM 0 HG2 MET A 19 15.963 3.039 1.602 1.00 0.00 H new ATOM 0 HG3 MET A 19 15.297 2.038 2.877 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.163 4.453 5.435 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.606 3.322 4.179 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.860 2.819 5.336 1.00 0.00 H new ATOM 265 N ASP A 20 17.315 -0.808 2.446 1.00 0.00 N ATOM 266 CA ASP A 20 16.587 -2.070 2.364 1.00 0.00 C ATOM 267 C ASP A 20 15.090 -1.825 2.203 1.00 0.00 C ATOM 268 O ASP A 20 14.526 -0.887 2.767 1.00 0.00 O ATOM 269 CB ASP A 20 16.847 -2.914 3.613 1.00 0.00 C ATOM 270 CG ASP A 20 18.231 -3.534 3.615 1.00 0.00 C ATOM 271 OD1 ASP A 20 18.501 -4.388 2.745 1.00 0.00 O ATOM 272 OD2 ASP A 20 19.044 -3.164 4.487 1.00 0.00 O ATOM 0 H ASP A 20 17.927 -0.726 3.257 1.00 0.00 H new ATOM 0 HA ASP A 20 16.944 -2.611 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.730 -2.291 4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.098 -3.704 3.677 1.00 0.00 H new ATOM 277 N PRO A 21 14.431 -2.686 1.414 1.00 0.00 N ATOM 278 CA PRO A 21 12.991 -2.583 1.160 1.00 0.00 C ATOM 279 C PRO A 21 12.159 -2.922 2.392 1.00 0.00 C ATOM 280 O PRO A 21 10.957 -2.662 2.432 1.00 0.00 O ATOM 281 CB PRO A 21 12.752 -3.613 0.053 1.00 0.00 C ATOM 282 CG PRO A 21 13.853 -4.604 0.213 1.00 0.00 C ATOM 283 CD PRO A 21 15.040 -3.827 0.710 1.00 0.00 C ATOM 0 HA PRO A 21 12.696 -1.569 0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.775 -4.086 0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.778 -3.148 -0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.575 -5.386 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.077 -5.095 -0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.661 -4.425 1.377 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.678 -3.499 -0.111 1.00 0.00 H new ATOM 291 N SER A 22 12.807 -3.505 3.396 1.00 0.00 N ATOM 292 CA SER A 22 12.126 -3.883 4.628 1.00 0.00 C ATOM 293 C SER A 22 11.777 -2.650 5.457 1.00 0.00 C ATOM 294 O SER A 22 10.641 -2.490 5.904 1.00 0.00 O ATOM 295 CB SER A 22 13.001 -4.832 5.450 1.00 0.00 C ATOM 296 OG SER A 22 12.240 -5.494 6.445 1.00 0.00 O ATOM 0 H SER A 22 13.803 -3.726 3.380 1.00 0.00 H new ATOM 0 HA SER A 22 11.201 -4.393 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.463 -5.568 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.810 -4.272 5.919 1.00 0.00 H new ATOM 0 HG SER A 22 12.821 -6.096 6.955 1.00 0.00 H new ATOM 302 N ASP A 23 12.762 -1.781 5.656 1.00 0.00 N ATOM 303 CA ASP A 23 12.560 -0.561 6.429 1.00 0.00 C ATOM 304 C ASP A 23 11.585 0.375 5.723 1.00 0.00 C ATOM 305 O ASP A 23 10.869 1.141 6.367 1.00 0.00 O ATOM 306 CB ASP A 23 13.895 0.150 6.656 1.00 0.00 C ATOM 307 CG ASP A 23 14.837 -0.651 7.534 1.00 0.00 C ATOM 308 OD1 ASP A 23 15.425 -1.632 7.033 1.00 0.00 O ATOM 309 OD2 ASP A 23 14.985 -0.297 8.722 1.00 0.00 O ATOM 0 H ASP A 23 13.708 -1.899 5.293 1.00 0.00 H new ATOM 0 HA ASP A 23 12.135 -0.838 7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.371 0.338 5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.712 1.121 7.116 1.00 0.00 H new ATOM 314 N MET A 24 11.563 0.307 4.396 1.00 0.00 N ATOM 315 CA MET A 24 10.675 1.149 3.603 1.00 0.00 C ATOM 316 C MET A 24 9.219 0.934 4.005 1.00 0.00 C ATOM 317 O MET A 24 8.471 1.891 4.200 1.00 0.00 O ATOM 318 CB MET A 24 10.853 0.854 2.113 1.00 0.00 C ATOM 319 CG MET A 24 11.958 1.669 1.460 1.00 0.00 C ATOM 320 SD MET A 24 11.402 3.304 0.944 1.00 0.00 S ATOM 321 CE MET A 24 10.748 2.941 -0.684 1.00 0.00 C ATOM 0 H MET A 24 12.149 -0.322 3.848 1.00 0.00 H new ATOM 0 HA MET A 24 10.937 2.190 3.794 1.00 0.00 H new ATOM 0 HB2 MET A 24 11.070 -0.206 1.984 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.913 1.052 1.597 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.787 1.775 2.159 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.339 1.129 0.593 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.745 3.850 -1.286 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.371 2.188 -1.167 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.729 2.564 -0.591 1.00 0.00 H new ATOM 331 N MET A 25 8.824 -0.329 4.127 1.00 0.00 N ATOM 332 CA MET A 25 7.458 -0.669 4.507 1.00 0.00 C ATOM 333 C MET A 25 7.113 -0.088 5.874 1.00 0.00 C ATOM 334 O MET A 25 5.989 0.356 6.105 1.00 0.00 O ATOM 335 CB MET A 25 7.273 -2.188 4.523 1.00 0.00 C ATOM 336 CG MET A 25 6.992 -2.781 3.152 1.00 0.00 C ATOM 337 SD MET A 25 5.981 -4.272 3.234 1.00 0.00 S ATOM 338 CE MET A 25 4.338 -3.576 3.075 1.00 0.00 C ATOM 0 H MET A 25 9.430 -1.134 3.968 1.00 0.00 H new ATOM 0 HA MET A 25 6.784 -0.236 3.768 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.171 -2.651 4.933 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.451 -2.439 5.193 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.487 -2.038 2.536 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.937 -3.014 2.661 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.599 -4.377 3.108 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.156 -2.881 3.895 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.257 -3.047 2.126 1.00 0.00 H new ATOM 348 N ARG A 26 8.088 -0.095 6.778 1.00 0.00 N ATOM 349 CA ARG A 26 7.887 0.429 8.123 1.00 0.00 C ATOM 350 C ARG A 26 7.695 1.943 8.093 1.00 0.00 C ATOM 351 O ARG A 26 6.769 2.472 8.708 1.00 0.00 O ATOM 352 CB ARG A 26 9.077 0.073 9.016 1.00 0.00 C ATOM 353 CG ARG A 26 9.170 -1.408 9.344 1.00 0.00 C ATOM 354 CD ARG A 26 9.892 -1.642 10.662 1.00 0.00 C ATOM 355 NE ARG A 26 10.272 -3.042 10.837 1.00 0.00 N ATOM 356 CZ ARG A 26 11.314 -3.601 10.234 1.00 0.00 C ATOM 357 NH1 ARG A 26 12.078 -2.884 9.421 1.00 0.00 N ATOM 358 NH2 ARG A 26 11.596 -4.881 10.443 1.00 0.00 N ATOM 0 H ARG A 26 9.025 -0.458 6.603 1.00 0.00 H new ATOM 0 HA ARG A 26 6.986 -0.027 8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.997 0.386 8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.005 0.639 9.945 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.168 -1.834 9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.696 -1.927 8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.784 -1.016 10.703 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.249 -1.335 11.487 1.00 0.00 H new ATOM 0 HE ARG A 26 9.706 -3.621 11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.866 -1.900 9.257 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.878 -3.317 8.959 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.012 -5.437 11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.397 -5.309 9.979 1.00 0.00 H new ATOM 372 N GLU A 27 8.576 2.632 7.375 1.00 0.00 N ATOM 373 CA GLU A 27 8.503 4.084 7.267 1.00 0.00 C ATOM 374 C GLU A 27 7.243 4.512 6.520 1.00 0.00 C ATOM 375 O GLU A 27 6.453 5.313 7.021 1.00 0.00 O ATOM 376 CB GLU A 27 9.742 4.627 6.552 1.00 0.00 C ATOM 377 CG GLU A 27 9.701 6.128 6.320 1.00 0.00 C ATOM 378 CD GLU A 27 11.084 6.751 6.289 1.00 0.00 C ATOM 379 OE1 GLU A 27 12.014 6.160 6.875 1.00 0.00 O ATOM 380 OE2 GLU A 27 11.234 7.831 5.679 1.00 0.00 O ATOM 0 H GLU A 27 9.348 2.209 6.860 1.00 0.00 H new ATOM 0 HA GLU A 27 8.464 4.496 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.627 4.383 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.848 4.122 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.193 6.333 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.112 6.598 7.108 1.00 0.00 H new ATOM 387 N ILE A 28 7.062 3.972 5.319 1.00 0.00 N ATOM 388 CA ILE A 28 5.899 4.297 4.503 1.00 0.00 C ATOM 389 C ILE A 28 4.634 4.368 5.352 1.00 0.00 C ATOM 390 O ILE A 28 3.862 5.321 5.255 1.00 0.00 O ATOM 391 CB ILE A 28 5.692 3.263 3.380 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.807 3.379 2.339 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.330 3.453 2.729 1.00 0.00 C ATOM 394 CD1 ILE A 28 7.090 2.085 1.609 1.00 0.00 C ATOM 0 H ILE A 28 7.706 3.308 4.890 1.00 0.00 H new ATOM 0 HA ILE A 28 6.090 5.273 4.057 1.00 0.00 H new ATOM 0 HB ILE A 28 5.729 2.264 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.536 4.145 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.719 3.716 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.199 2.715 1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.548 3.325 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.266 4.455 2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.891 2.242 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.392 1.321 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.191 1.757 1.087 1.00 0.00 H new ATOM 406 N ARG A 29 4.431 3.353 6.186 1.00 0.00 N ATOM 407 CA ARG A 29 3.260 3.301 7.054 1.00 0.00 C ATOM 408 C ARG A 29 3.292 4.431 8.079 1.00 0.00 C ATOM 409 O ARG A 29 2.347 5.213 8.186 1.00 0.00 O ATOM 410 CB ARG A 29 3.189 1.950 7.769 1.00 0.00 C ATOM 411 CG ARG A 29 2.516 0.861 6.950 1.00 0.00 C ATOM 412 CD ARG A 29 2.571 -0.483 7.658 1.00 0.00 C ATOM 413 NE ARG A 29 1.427 -1.326 7.321 1.00 0.00 N ATOM 414 CZ ARG A 29 1.021 -2.346 8.068 1.00 0.00 C ATOM 415 NH1 ARG A 29 1.662 -2.648 9.189 1.00 0.00 N ATOM 416 NH2 ARG A 29 -0.029 -3.067 7.695 1.00 0.00 N ATOM 0 H ARG A 29 5.061 2.556 6.279 1.00 0.00 H new ATOM 0 HA ARG A 29 2.372 3.423 6.433 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.199 1.630 8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.648 2.073 8.707 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.477 1.133 6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.003 0.782 5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.493 -0.998 7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.599 -0.324 8.736 1.00 0.00 H new ATOM 0 HE ARG A 29 0.912 -1.120 6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.469 -2.096 9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.348 -3.432 9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.525 -2.838 6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.340 -3.850 8.270 1.00 0.00 H new ATOM 430 N LYS A 30 4.384 4.510 8.830 1.00 0.00 N ATOM 431 CA LYS A 30 4.541 5.543 9.847 1.00 0.00 C ATOM 432 C LYS A 30 4.075 6.898 9.322 1.00 0.00 C ATOM 433 O LYS A 30 3.272 7.579 9.960 1.00 0.00 O ATOM 434 CB LYS A 30 6.003 5.633 10.292 1.00 0.00 C ATOM 435 CG LYS A 30 6.289 6.811 11.207 1.00 0.00 C ATOM 436 CD LYS A 30 7.705 6.759 11.755 1.00 0.00 C ATOM 437 CE LYS A 30 7.852 5.685 12.822 1.00 0.00 C ATOM 438 NZ LYS A 30 7.139 6.050 14.078 1.00 0.00 N ATOM 0 H LYS A 30 5.175 3.870 8.754 1.00 0.00 H new ATOM 0 HA LYS A 30 3.923 5.271 10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.275 4.711 10.805 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.639 5.706 9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.144 7.742 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.578 6.813 12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.404 6.563 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.969 7.729 12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.461 4.741 12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.909 5.529 13.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.463 5.436 14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.340 7.042 14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.115 5.927 13.944 1.00 0.00 H new ATOM 452 N VAL A 31 4.583 7.282 8.155 1.00 0.00 N ATOM 453 CA VAL A 31 4.216 8.554 7.543 1.00 0.00 C ATOM 454 C VAL A 31 2.709 8.650 7.338 1.00 0.00 C ATOM 455 O VAL A 31 2.095 9.675 7.636 1.00 0.00 O ATOM 456 CB VAL A 31 4.922 8.749 6.188 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.327 9.933 5.442 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.419 8.931 6.389 1.00 0.00 C ATOM 0 H VAL A 31 5.250 6.731 7.615 1.00 0.00 H new ATOM 0 HA VAL A 31 4.537 9.339 8.227 1.00 0.00 H new ATOM 0 HB VAL A 31 4.766 7.855 5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.838 10.056 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.266 9.756 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.450 10.837 6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.902 9.067 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.599 9.808 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.830 8.048 6.879 1.00 0.00 H new ATOM 468 N LEU A 32 2.117 7.576 6.826 1.00 0.00 N ATOM 469 CA LEU A 32 0.680 7.538 6.581 1.00 0.00 C ATOM 470 C LEU A 32 -0.100 7.753 7.874 1.00 0.00 C ATOM 471 O LEU A 32 -0.857 8.714 8.002 1.00 0.00 O ATOM 472 CB LEU A 32 0.285 6.202 5.950 1.00 0.00 C ATOM 473 CG LEU A 32 0.875 5.911 4.570 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.881 4.415 4.296 1.00 0.00 C ATOM 475 CD2 LEU A 32 0.097 6.649 3.490 1.00 0.00 C ATOM 0 H LEU A 32 2.611 6.720 6.573 1.00 0.00 H new ATOM 0 HA LEU A 32 0.433 8.346 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.583 5.401 6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.802 6.166 5.873 1.00 0.00 H new ATOM 0 HG LEU A 32 1.905 6.267 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.304 4.228 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.483 3.909 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.140 4.035 4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.531 6.430 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.943 6.325 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.145 7.722 3.676 1.00 0.00 H new ATOM 487 N GLY A 33 0.093 6.852 8.832 1.00 0.00 N ATOM 488 CA GLY A 33 -0.597 6.962 10.104 1.00 0.00 C ATOM 489 C GLY A 33 -0.614 8.382 10.634 1.00 0.00 C ATOM 490 O GLY A 33 -1.639 8.858 11.118 1.00 0.00 O ATOM 0 H GLY A 33 0.715 6.048 8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.622 6.608 9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.114 6.311 10.833 1.00 0.00 H new ATOM 494 N ALA A 34 0.526 9.059 10.543 1.00 0.00 N ATOM 495 CA ALA A 34 0.638 10.433 11.016 1.00 0.00 C ATOM 496 C ALA A 34 -0.326 11.351 10.272 1.00 0.00 C ATOM 497 O ALA A 34 -0.941 12.234 10.867 1.00 0.00 O ATOM 498 CB ALA A 34 2.068 10.929 10.862 1.00 0.00 C ATOM 0 H ALA A 34 1.385 8.678 10.146 1.00 0.00 H new ATOM 0 HA ALA A 34 0.371 10.450 12.073 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.137 11.957 11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.737 10.296 11.445 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.355 10.890 9.811 1.00 0.00 H new ATOM 504 N ASN A 35 -0.451 11.136 8.966 1.00 0.00 N ATOM 505 CA ASN A 35 -1.339 11.945 8.140 1.00 0.00 C ATOM 506 C ASN A 35 -2.759 11.387 8.161 1.00 0.00 C ATOM 507 O ASN A 35 -3.549 11.639 7.252 1.00 0.00 O ATOM 508 CB ASN A 35 -0.822 12.001 6.702 1.00 0.00 C ATOM 509 CG ASN A 35 0.408 12.878 6.563 1.00 0.00 C ATOM 510 OD1 ASN A 35 0.303 14.100 6.457 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.581 12.256 6.563 1.00 0.00 N ATOM 0 H ASN A 35 0.052 10.408 8.458 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.358 12.954 8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.585 10.992 6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.610 12.379 6.050 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.443 12.793 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.620 11.241 6.653 1.00 0.00 H new ATOM 518 N ASN A 36 -3.076 10.628 9.204 1.00 0.00 N ATOM 519 CA ASN A 36 -4.401 10.034 9.344 1.00 0.00 C ATOM 520 C ASN A 36 -4.766 9.223 8.104 1.00 0.00 C ATOM 521 O ASN A 36 -5.940 9.110 7.748 1.00 0.00 O ATOM 522 CB ASN A 36 -5.448 11.123 9.582 1.00 0.00 C ATOM 523 CG ASN A 36 -5.135 11.971 10.800 1.00 0.00 C ATOM 524 OD1 ASN A 36 -4.338 12.907 10.730 1.00 0.00 O ATOM 525 ND2 ASN A 36 -5.762 11.645 11.924 1.00 0.00 N ATOM 0 H ASN A 36 -2.434 10.409 9.965 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.383 9.363 10.203 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.508 11.764 8.702 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.427 10.661 9.707 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.591 12.179 12.776 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.414 10.861 11.935 1.00 0.00 H new ATOM 532 N CYS A 37 -3.755 8.661 7.452 1.00 0.00 N ATOM 533 CA CYS A 37 -3.969 7.861 6.252 1.00 0.00 C ATOM 534 C CYS A 37 -4.285 6.413 6.613 1.00 0.00 C ATOM 535 O CYS A 37 -3.673 5.840 7.514 1.00 0.00 O ATOM 536 CB CYS A 37 -2.736 7.916 5.349 1.00 0.00 C ATOM 537 SG CYS A 37 -2.750 9.281 4.163 1.00 0.00 S ATOM 0 H CYS A 37 -2.778 8.745 7.734 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.822 8.278 5.716 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.846 8.000 5.972 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.656 6.976 4.804 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.680 10.129 4.488 1.00 0.00 H new ATOM 543 N ASP A 38 -5.245 5.828 5.905 1.00 0.00 N ATOM 544 CA ASP A 38 -5.644 4.447 6.151 1.00 0.00 C ATOM 545 C ASP A 38 -4.894 3.493 5.228 1.00 0.00 C ATOM 546 O ASP A 38 -5.088 3.509 4.012 1.00 0.00 O ATOM 547 CB ASP A 38 -7.152 4.287 5.956 1.00 0.00 C ATOM 548 CG ASP A 38 -7.935 4.584 7.220 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.441 4.247 8.317 1.00 0.00 O ATOM 550 OD2 ASP A 38 -9.040 5.155 7.113 1.00 0.00 O ATOM 0 H ASP A 38 -5.761 6.289 5.156 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.392 4.199 7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.485 4.954 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.367 3.269 5.630 1.00 0.00 H new ATOM 555 N TYR A 39 -4.037 2.663 5.812 1.00 0.00 N ATOM 556 CA TYR A 39 -3.256 1.703 5.041 1.00 0.00 C ATOM 557 C TYR A 39 -3.735 0.278 5.299 1.00 0.00 C ATOM 558 O TYR A 39 -3.994 -0.104 6.440 1.00 0.00 O ATOM 559 CB TYR A 39 -1.771 1.825 5.390 1.00 0.00 C ATOM 560 CG TYR A 39 -1.498 1.833 6.877 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.835 2.930 7.660 1.00 0.00 C ATOM 562 CD2 TYR A 39 -0.900 0.743 7.499 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.587 2.941 9.019 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.649 0.745 8.858 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.994 1.847 9.613 1.00 0.00 C ATOM 566 OH TYR A 39 -0.744 1.854 10.966 1.00 0.00 O ATOM 0 H TYR A 39 -3.865 2.636 6.817 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.394 1.927 3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.230 0.996 4.934 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.377 2.742 4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.299 3.789 7.198 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.627 -0.120 6.910 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.856 3.802 9.613 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.186 -0.111 9.326 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.324 1.008 11.225 1.00 0.00 H new ATOM 576 N GLU A 40 -3.848 -0.504 4.230 1.00 0.00 N ATOM 577 CA GLU A 40 -4.296 -1.887 4.340 1.00 0.00 C ATOM 578 C GLU A 40 -3.365 -2.823 3.575 1.00 0.00 C ATOM 579 O GLU A 40 -2.980 -2.540 2.441 1.00 0.00 O ATOM 580 CB GLU A 40 -5.725 -2.028 3.812 1.00 0.00 C ATOM 581 CG GLU A 40 -6.789 -1.635 4.823 1.00 0.00 C ATOM 582 CD GLU A 40 -6.960 -2.668 5.920 1.00 0.00 C ATOM 583 OE1 GLU A 40 -6.105 -2.713 6.830 1.00 0.00 O ATOM 584 OE2 GLU A 40 -7.947 -3.431 5.870 1.00 0.00 O ATOM 0 H GLU A 40 -3.636 -0.203 3.279 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.277 -2.165 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.837 -1.410 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.890 -3.061 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.524 -0.676 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.740 -1.496 4.309 1.00 0.00 H new ATOM 591 N GLN A 41 -3.008 -3.938 4.204 1.00 0.00 N ATOM 592 CA GLN A 41 -2.121 -4.915 3.583 1.00 0.00 C ATOM 593 C GLN A 41 -2.812 -5.613 2.416 1.00 0.00 C ATOM 594 O GLN A 41 -3.615 -6.525 2.614 1.00 0.00 O ATOM 595 CB GLN A 41 -1.665 -5.949 4.614 1.00 0.00 C ATOM 596 CG GLN A 41 -0.526 -6.831 4.128 1.00 0.00 C ATOM 597 CD GLN A 41 0.838 -6.243 4.433 1.00 0.00 C ATOM 598 OE1 GLN A 41 0.955 -5.276 5.185 1.00 0.00 O ATOM 599 NE2 GLN A 41 1.878 -6.827 3.849 1.00 0.00 N ATOM 0 H GLN A 41 -3.319 -4.187 5.143 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.249 -4.385 3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.352 -5.432 5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.512 -6.580 4.883 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.607 -7.813 4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.621 -6.981 3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.734 -7.627 3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.821 -6.476 4.017 1.00 0.00 H new ATOM 608 N ARG A 42 -2.496 -5.178 1.201 1.00 0.00 N ATOM 609 CA ARG A 42 -3.088 -5.760 0.003 1.00 0.00 C ATOM 610 C ARG A 42 -2.271 -6.955 -0.481 1.00 0.00 C ATOM 611 O ARG A 42 -2.732 -8.095 -0.430 1.00 0.00 O ATOM 612 CB ARG A 42 -3.183 -4.711 -1.106 1.00 0.00 C ATOM 613 CG ARG A 42 -4.460 -3.889 -1.058 1.00 0.00 C ATOM 614 CD ARG A 42 -5.638 -4.653 -1.642 1.00 0.00 C ATOM 615 NE ARG A 42 -5.765 -4.447 -3.082 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.742 -4.968 -3.815 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.673 -5.722 -3.246 1.00 0.00 N ATOM 618 NH2 ARG A 42 -6.791 -4.734 -5.120 1.00 0.00 N ATOM 0 H ARG A 42 -1.833 -4.424 1.020 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.091 -6.105 0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.326 -4.041 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.118 -5.210 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.679 -3.615 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.317 -2.961 -1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.517 -5.717 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.556 -4.336 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.065 -3.872 -3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.640 -5.903 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.422 -6.121 -3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.078 -4.153 -5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.542 -5.135 -5.682 1.00 0.00 H new ATOM 632 N GLU A 43 -1.057 -6.685 -0.951 1.00 0.00 N ATOM 633 CA GLU A 43 -0.178 -7.738 -1.445 1.00 0.00 C ATOM 634 C GLU A 43 1.033 -7.909 -0.532 1.00 0.00 C ATOM 635 O GLU A 43 1.127 -7.272 0.517 1.00 0.00 O ATOM 636 CB GLU A 43 0.284 -7.421 -2.869 1.00 0.00 C ATOM 637 CG GLU A 43 -0.853 -7.069 -3.814 1.00 0.00 C ATOM 638 CD GLU A 43 -0.361 -6.549 -5.150 1.00 0.00 C ATOM 639 OE1 GLU A 43 0.759 -5.998 -5.196 1.00 0.00 O ATOM 640 OE2 GLU A 43 -1.096 -6.692 -6.150 1.00 0.00 O ATOM 0 H GLU A 43 -0.660 -5.747 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.740 -8.672 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.989 -6.590 -2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.823 -8.281 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.471 -7.952 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.489 -6.317 -3.347 1.00 0.00 H new ATOM 647 N ARG A 44 1.956 -8.774 -0.939 1.00 0.00 N ATOM 648 CA ARG A 44 3.160 -9.031 -0.158 1.00 0.00 C ATOM 649 C ARG A 44 3.876 -7.727 0.181 1.00 0.00 C ATOM 650 O ARG A 44 4.291 -7.512 1.320 1.00 0.00 O ATOM 651 CB ARG A 44 4.103 -9.959 -0.925 1.00 0.00 C ATOM 652 CG ARG A 44 5.108 -10.675 -0.037 1.00 0.00 C ATOM 653 CD ARG A 44 6.402 -10.965 -0.783 1.00 0.00 C ATOM 654 NE ARG A 44 7.490 -11.316 0.126 1.00 0.00 N ATOM 655 CZ ARG A 44 8.764 -11.382 -0.245 1.00 0.00 C ATOM 656 NH1 ARG A 44 9.108 -11.122 -1.499 1.00 0.00 N ATOM 657 NH2 ARG A 44 9.697 -11.708 0.640 1.00 0.00 N ATOM 0 H ARG A 44 1.893 -9.309 -1.805 1.00 0.00 H new ATOM 0 HA ARG A 44 2.863 -9.515 0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.512 -10.701 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.641 -9.378 -1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.321 -10.064 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.677 -11.609 0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.240 -11.781 -1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.687 -10.091 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 44 7.259 -11.522 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.394 -10.870 -2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.087 -11.174 -1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.436 -11.908 1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.675 -11.759 0.355 1.00 0.00 H new ATOM 671 N PHE A 45 4.019 -6.860 -0.816 1.00 0.00 N ATOM 672 CA PHE A 45 4.687 -5.578 -0.625 1.00 0.00 C ATOM 673 C PHE A 45 3.848 -4.437 -1.193 1.00 0.00 C ATOM 674 O PHE A 45 4.383 -3.444 -1.688 1.00 0.00 O ATOM 675 CB PHE A 45 6.065 -5.593 -1.289 1.00 0.00 C ATOM 676 CG PHE A 45 7.160 -6.084 -0.387 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.685 -5.263 0.598 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.664 -7.368 -0.523 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.694 -5.713 1.429 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.672 -7.823 0.306 1.00 0.00 C ATOM 681 CZ PHE A 45 9.187 -6.995 1.284 1.00 0.00 C ATOM 0 H PHE A 45 3.681 -7.022 -1.765 1.00 0.00 H new ATOM 0 HA PHE A 45 4.809 -5.417 0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.025 -6.225 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.308 -4.585 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.302 -4.260 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.265 -8.020 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.097 -5.062 2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.057 -8.825 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.973 -7.349 1.934 1.00 0.00 H new ATOM 691 N LEU A 46 2.530 -4.587 -1.119 1.00 0.00 N ATOM 692 CA LEU A 46 1.615 -3.570 -1.627 1.00 0.00 C ATOM 693 C LEU A 46 0.665 -3.096 -0.531 1.00 0.00 C ATOM 694 O LEU A 46 0.089 -3.905 0.198 1.00 0.00 O ATOM 695 CB LEU A 46 0.814 -4.120 -2.808 1.00 0.00 C ATOM 696 CG LEU A 46 0.188 -3.080 -3.737 1.00 0.00 C ATOM 697 CD1 LEU A 46 1.148 -2.719 -4.860 1.00 0.00 C ATOM 698 CD2 LEU A 46 -1.128 -3.594 -4.303 1.00 0.00 C ATOM 0 H LEU A 46 2.071 -5.402 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 46 2.208 -2.719 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.470 -4.759 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.018 -4.755 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.015 -2.179 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.684 -1.978 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.065 -2.308 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.384 -3.612 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.560 -2.841 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.949 -4.510 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.820 -3.800 -3.486 1.00 0.00 H new ATOM 710 N LEU A 47 0.505 -1.782 -0.422 1.00 0.00 N ATOM 711 CA LEU A 47 -0.377 -1.200 0.584 1.00 0.00 C ATOM 712 C LEU A 47 -1.428 -0.306 -0.066 1.00 0.00 C ATOM 713 O LEU A 47 -1.165 0.348 -1.075 1.00 0.00 O ATOM 714 CB LEU A 47 0.436 -0.395 1.599 1.00 0.00 C ATOM 715 CG LEU A 47 1.430 -1.191 2.445 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.200 -0.266 3.376 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.710 -2.271 3.240 1.00 0.00 C ATOM 0 H LEU A 47 0.974 -1.099 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.887 -2.014 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.984 0.380 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.257 0.112 2.270 1.00 0.00 H new ATOM 0 HG LEU A 47 2.142 -1.674 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.903 -0.850 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.747 0.470 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.502 0.246 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.433 -2.827 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.025 -1.809 3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.205 -2.952 2.555 1.00 0.00 H new ATOM 729 N PHE A 48 -2.621 -0.281 0.520 1.00 0.00 N ATOM 730 CA PHE A 48 -3.712 0.534 -0.001 1.00 0.00 C ATOM 731 C PHE A 48 -3.899 1.794 0.839 1.00 0.00 C ATOM 732 O PHE A 48 -4.507 1.755 1.909 1.00 0.00 O ATOM 733 CB PHE A 48 -5.012 -0.273 -0.026 1.00 0.00 C ATOM 734 CG PHE A 48 -6.120 0.400 -0.785 1.00 0.00 C ATOM 735 CD1 PHE A 48 -5.949 0.761 -2.112 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.333 0.669 -0.172 1.00 0.00 C ATOM 737 CE1 PHE A 48 -6.967 1.381 -2.812 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.355 1.288 -0.868 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.171 1.644 -2.189 1.00 0.00 C ATOM 0 H PHE A 48 -2.856 -0.816 1.356 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.457 0.831 -1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.817 -1.248 -0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.340 -0.451 0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.010 0.556 -2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.482 0.392 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.821 1.659 -3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.296 1.493 -0.379 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.968 2.128 -2.735 1.00 0.00 H new ATOM 749 N CYS A 49 -3.371 2.909 0.347 1.00 0.00 N ATOM 750 CA CYS A 49 -3.478 4.182 1.052 1.00 0.00 C ATOM 751 C CYS A 49 -4.844 4.819 0.819 1.00 0.00 C ATOM 752 O CYS A 49 -5.467 4.614 -0.222 1.00 0.00 O ATOM 753 CB CYS A 49 -2.372 5.135 0.596 1.00 0.00 C ATOM 754 SG CYS A 49 -0.709 4.429 0.676 1.00 0.00 S ATOM 0 H CYS A 49 -2.865 2.958 -0.537 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.365 3.990 2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.574 5.445 -0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.404 6.033 1.213 1.00 0.00 H new ATOM 0 HG CYS A 49 0.124 5.210 0.055 1.00 0.00 H new ATOM 760 N VAL A 50 -5.304 5.594 1.797 1.00 0.00 N ATOM 761 CA VAL A 50 -6.597 6.261 1.699 1.00 0.00 C ATOM 762 C VAL A 50 -6.620 7.537 2.533 1.00 0.00 C ATOM 763 O VAL A 50 -6.257 7.530 3.710 1.00 0.00 O ATOM 764 CB VAL A 50 -7.741 5.339 2.159 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.017 6.137 2.374 1.00 0.00 C ATOM 766 CG2 VAL A 50 -7.964 4.223 1.150 1.00 0.00 C ATOM 0 H VAL A 50 -4.801 5.775 2.665 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.745 6.513 0.649 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.460 4.887 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.814 5.468 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.847 6.896 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.306 6.619 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.776 3.581 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.224 4.653 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.052 3.634 1.052 1.00 0.00 H new ATOM 776 N HIS A 51 -7.052 8.633 1.916 1.00 0.00 N ATOM 777 CA HIS A 51 -7.124 9.918 2.602 1.00 0.00 C ATOM 778 C HIS A 51 -8.224 10.791 2.006 1.00 0.00 C ATOM 779 O HIS A 51 -8.556 10.670 0.827 1.00 0.00 O ATOM 780 CB HIS A 51 -5.780 10.642 2.518 1.00 0.00 C ATOM 781 CG HIS A 51 -5.577 11.656 3.601 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.054 11.531 4.843 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -5.931 12.982 3.467 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -5.100 12.772 5.430 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -5.633 13.629 4.579 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.357 8.657 0.943 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.361 9.730 3.649 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.977 9.907 2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.703 11.136 1.550 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.381 13.422 2.590 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.756 13.008 6.426 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.788 14.622 4.751 1.00 0.00 H new ATOM 794 N GLY A 52 -8.788 11.670 2.829 1.00 0.00 N ATOM 795 CA GLY A 52 -9.845 12.549 2.364 1.00 0.00 C ATOM 796 C GLY A 52 -9.372 13.978 2.181 1.00 0.00 C ATOM 797 O GLY A 52 -9.664 14.610 1.166 1.00 0.00 O ATOM 0 H GLY A 52 -8.532 11.789 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.235 12.174 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.669 12.531 3.078 1.00 0.00 H new ATOM 801 N ASP A 53 -8.641 14.488 3.166 1.00 0.00 N ATOM 802 CA ASP A 53 -8.128 15.852 3.110 1.00 0.00 C ATOM 803 C ASP A 53 -9.202 16.818 2.619 1.00 0.00 C ATOM 804 O ASP A 53 -8.937 17.687 1.790 1.00 0.00 O ATOM 805 CB ASP A 53 -6.905 15.922 2.194 1.00 0.00 C ATOM 806 CG ASP A 53 -6.415 17.342 1.989 1.00 0.00 C ATOM 807 OD1 ASP A 53 -5.892 17.935 2.956 1.00 0.00 O ATOM 808 OD2 ASP A 53 -6.553 17.860 0.861 1.00 0.00 O ATOM 0 H ASP A 53 -8.390 13.978 4.013 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.835 16.145 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.101 15.321 2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.153 15.483 1.227 1.00 0.00 H new ATOM 813 N GLY A 54 -10.416 16.657 3.136 1.00 0.00 N ATOM 814 CA GLY A 54 -11.512 17.520 2.738 1.00 0.00 C ATOM 815 C GLY A 54 -12.866 16.865 2.930 1.00 0.00 C ATOM 816 O GLY A 54 -13.268 16.573 4.057 1.00 0.00 O ATOM 0 H GLY A 54 -10.660 15.944 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.473 18.442 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.391 17.796 1.691 1.00 0.00 H new ATOM 820 N HIS A 55 -13.572 16.634 1.827 1.00 0.00 N ATOM 821 CA HIS A 55 -14.889 16.010 1.880 1.00 0.00 C ATOM 822 C HIS A 55 -14.805 14.532 1.512 1.00 0.00 C ATOM 823 O HIS A 55 -13.843 14.093 0.883 1.00 0.00 O ATOM 824 CB HIS A 55 -15.855 16.728 0.936 1.00 0.00 C ATOM 825 CG HIS A 55 -16.593 17.860 1.582 1.00 0.00 C ATOM 826 ND1 HIS A 55 -17.257 17.737 2.784 1.00 0.00 N ATOM 827 CD2 HIS A 55 -16.768 19.143 1.187 1.00 0.00 C ATOM 828 CE1 HIS A 55 -17.810 18.894 3.100 1.00 0.00 C ATOM 829 NE2 HIS A 55 -17.528 19.764 2.147 1.00 0.00 N ATOM 0 H HIS A 55 -13.254 16.869 0.887 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.262 16.092 2.901 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.298 17.110 0.080 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -16.577 16.007 0.551 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -16.382 19.594 0.285 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.393 19.095 3.987 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -17.826 20.739 2.127 1.00 0.00 H new ATOM 838 N ALA A 56 -15.818 13.769 1.910 1.00 0.00 N ATOM 839 CA ALA A 56 -15.859 12.341 1.622 1.00 0.00 C ATOM 840 C ALA A 56 -16.025 12.088 0.127 1.00 0.00 C ATOM 841 O ALA A 56 -15.496 11.114 -0.408 1.00 0.00 O ATOM 842 CB ALA A 56 -16.985 11.677 2.400 1.00 0.00 C ATOM 0 H ALA A 56 -16.622 14.117 2.433 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.910 11.905 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.003 10.611 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.822 11.820 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.937 12.124 2.115 1.00 0.00 H new ATOM 848 N GLU A 57 -16.763 12.970 -0.540 1.00 0.00 N ATOM 849 CA GLU A 57 -16.999 12.839 -1.973 1.00 0.00 C ATOM 850 C GLU A 57 -15.728 13.138 -2.763 1.00 0.00 C ATOM 851 O GLU A 57 -15.620 12.792 -3.939 1.00 0.00 O ATOM 852 CB GLU A 57 -18.121 13.780 -2.415 1.00 0.00 C ATOM 853 CG GLU A 57 -19.351 13.722 -1.524 1.00 0.00 C ATOM 854 CD GLU A 57 -20.241 12.535 -1.836 1.00 0.00 C ATOM 855 OE1 GLU A 57 -20.189 12.037 -2.980 1.00 0.00 O ATOM 856 OE2 GLU A 57 -20.991 12.104 -0.935 1.00 0.00 O ATOM 0 H GLU A 57 -17.207 13.782 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.297 11.810 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.742 14.802 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.410 13.532 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.038 13.672 -0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.924 14.642 -1.641 1.00 0.00 H new ATOM 863 N ASN A 58 -14.769 13.784 -2.108 1.00 0.00 N ATOM 864 CA ASN A 58 -13.506 14.132 -2.749 1.00 0.00 C ATOM 865 C ASN A 58 -12.359 13.307 -2.173 1.00 0.00 C ATOM 866 O ASN A 58 -11.203 13.731 -2.195 1.00 0.00 O ATOM 867 CB ASN A 58 -13.215 15.624 -2.573 1.00 0.00 C ATOM 868 CG ASN A 58 -14.297 16.499 -3.175 1.00 0.00 C ATOM 869 OD1 ASN A 58 -15.551 16.173 -2.884 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.009 17.457 -3.892 1.00 0.00 N flip ATOM 0 H ASN A 58 -14.842 14.077 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.593 13.909 -3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.118 15.850 -1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.258 15.862 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.031 17.671 -4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.748 18.037 -4.289 1.00 0.00 H new ATOM 877 N LEU A 59 -12.686 12.126 -1.660 1.00 0.00 N ATOM 878 CA LEU A 59 -11.684 11.240 -1.079 1.00 0.00 C ATOM 879 C LEU A 59 -10.737 10.711 -2.151 1.00 0.00 C ATOM 880 O LEU A 59 -11.143 10.471 -3.289 1.00 0.00 O ATOM 881 CB LEU A 59 -12.362 10.072 -0.360 1.00 0.00 C ATOM 882 CG LEU A 59 -11.444 9.164 0.459 1.00 0.00 C ATOM 883 CD1 LEU A 59 -12.198 8.567 1.637 1.00 0.00 C ATOM 884 CD2 LEU A 59 -10.862 8.065 -0.417 1.00 0.00 C ATOM 0 H LEU A 59 -13.638 11.760 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.102 11.814 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.127 10.475 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.874 9.462 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.622 9.765 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.529 7.924 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.566 9.369 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -13.040 7.980 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.211 7.428 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.671 7.466 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.286 8.512 -1.227 1.00 0.00 H new ATOM 896 N VAL A 60 -9.473 10.530 -1.781 1.00 0.00 N ATOM 897 CA VAL A 60 -8.469 10.026 -2.710 1.00 0.00 C ATOM 898 C VAL A 60 -7.975 8.646 -2.290 1.00 0.00 C ATOM 899 O VAL A 60 -7.569 8.444 -1.146 1.00 0.00 O ATOM 900 CB VAL A 60 -7.266 10.982 -2.808 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.071 10.275 -3.429 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.635 12.223 -3.607 1.00 0.00 C ATOM 0 H VAL A 60 -9.120 10.725 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.948 9.955 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.990 11.295 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.231 10.966 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.793 9.420 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.331 9.931 -4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.773 12.887 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.938 11.931 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.459 12.740 -3.116 1.00 0.00 H new ATOM 912 N GLN A 61 -8.012 7.701 -3.224 1.00 0.00 N ATOM 913 CA GLN A 61 -7.568 6.340 -2.950 1.00 0.00 C ATOM 914 C GLN A 61 -6.357 5.980 -3.805 1.00 0.00 C ATOM 915 O GLN A 61 -6.393 6.099 -5.030 1.00 0.00 O ATOM 916 CB GLN A 61 -8.703 5.348 -3.209 1.00 0.00 C ATOM 917 CG GLN A 61 -9.947 5.616 -2.377 1.00 0.00 C ATOM 918 CD GLN A 61 -10.973 4.505 -2.486 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.792 4.490 -3.405 1.00 0.00 O ATOM 920 NE2 GLN A 61 -10.933 3.568 -1.547 1.00 0.00 N ATOM 0 H GLN A 61 -8.345 7.853 -4.176 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.279 6.284 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.969 5.381 -4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.347 4.339 -3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.661 5.740 -1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.398 6.555 -2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.237 3.620 -0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.599 2.795 -1.569 1.00 0.00 H new ATOM 929 N TRP A 62 -5.288 5.539 -3.152 1.00 0.00 N ATOM 930 CA TRP A 62 -4.066 5.162 -3.853 1.00 0.00 C ATOM 931 C TRP A 62 -3.281 4.124 -3.059 1.00 0.00 C ATOM 932 O TRP A 62 -3.459 3.992 -1.848 1.00 0.00 O ATOM 933 CB TRP A 62 -3.196 6.395 -4.103 1.00 0.00 C ATOM 934 CG TRP A 62 -2.400 6.814 -2.904 1.00 0.00 C ATOM 935 CD1 TRP A 62 -1.069 6.596 -2.687 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.885 7.520 -1.758 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.698 7.125 -1.475 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.794 7.698 -0.885 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.135 8.022 -1.384 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.917 8.355 0.336 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.255 8.673 -0.171 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.152 8.835 0.677 1.00 0.00 C ATOM 0 H TRP A 62 -5.243 5.434 -2.138 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.347 4.724 -4.811 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.515 6.189 -4.928 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.833 7.223 -4.415 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.406 6.083 -3.368 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.241 7.096 -1.078 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.991 7.903 -2.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.068 8.481 0.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.216 9.064 0.128 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.279 9.349 1.618 1.00 0.00 H new ATOM 953 N GLU A 63 -2.413 3.390 -3.748 1.00 0.00 N ATOM 954 CA GLU A 63 -1.602 2.362 -3.105 1.00 0.00 C ATOM 955 C GLU A 63 -0.117 2.604 -3.359 1.00 0.00 C ATOM 956 O GLU A 63 0.256 3.493 -4.124 1.00 0.00 O ATOM 957 CB GLU A 63 -1.999 0.975 -3.614 1.00 0.00 C ATOM 958 CG GLU A 63 -2.463 0.967 -5.061 1.00 0.00 C ATOM 959 CD GLU A 63 -3.220 -0.295 -5.424 1.00 0.00 C ATOM 960 OE1 GLU A 63 -4.389 -0.427 -5.002 1.00 0.00 O ATOM 961 OE2 GLU A 63 -2.645 -1.151 -6.128 1.00 0.00 O ATOM 0 H GLU A 63 -2.253 3.488 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.782 2.411 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.148 0.302 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.796 0.580 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.101 1.833 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.598 1.069 -5.716 1.00 0.00 H new ATOM 968 N MET A 64 0.725 1.807 -2.710 1.00 0.00 N ATOM 969 CA MET A 64 2.170 1.933 -2.865 1.00 0.00 C ATOM 970 C MET A 64 2.852 0.575 -2.731 1.00 0.00 C ATOM 971 O MET A 64 2.316 -0.338 -2.105 1.00 0.00 O ATOM 972 CB MET A 64 2.733 2.905 -1.827 1.00 0.00 C ATOM 973 CG MET A 64 2.172 4.313 -1.944 1.00 0.00 C ATOM 974 SD MET A 64 2.309 5.246 -0.408 1.00 0.00 S ATOM 975 CE MET A 64 4.074 5.541 -0.347 1.00 0.00 C ATOM 0 H MET A 64 0.432 1.067 -2.072 1.00 0.00 H new ATOM 0 HA MET A 64 2.371 2.323 -3.863 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.522 2.520 -0.829 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.817 2.945 -1.930 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.699 4.845 -2.736 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.124 4.259 -2.239 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.341 5.950 0.627 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.605 4.602 -0.505 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.351 6.250 -1.127 1.00 0.00 H new ATOM 985 N GLU A 65 4.035 0.451 -3.324 1.00 0.00 N ATOM 986 CA GLU A 65 4.789 -0.796 -3.270 1.00 0.00 C ATOM 987 C GLU A 65 6.283 -0.537 -3.443 1.00 0.00 C ATOM 988 O GLU A 65 6.690 0.305 -4.244 1.00 0.00 O ATOM 989 CB GLU A 65 4.298 -1.761 -4.352 1.00 0.00 C ATOM 990 CG GLU A 65 5.241 -2.926 -4.600 1.00 0.00 C ATOM 991 CD GLU A 65 4.860 -3.733 -5.826 1.00 0.00 C ATOM 992 OE1 GLU A 65 4.294 -3.144 -6.771 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.128 -4.953 -5.842 1.00 0.00 O ATOM 0 H GLU A 65 4.492 1.198 -3.847 1.00 0.00 H new ATOM 0 HA GLU A 65 4.628 -1.247 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.321 -2.150 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.161 -1.211 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.256 -2.548 -4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.244 -3.578 -3.727 1.00 0.00 H new ATOM 1000 N VAL A 66 7.096 -1.267 -2.686 1.00 0.00 N ATOM 1001 CA VAL A 66 8.544 -1.118 -2.755 1.00 0.00 C ATOM 1002 C VAL A 66 9.140 -2.031 -3.821 1.00 0.00 C ATOM 1003 O VAL A 66 9.178 -3.251 -3.658 1.00 0.00 O ATOM 1004 CB VAL A 66 9.206 -1.430 -1.400 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.634 -0.907 -1.370 1.00 0.00 C ATOM 1006 CG2 VAL A 66 8.389 -0.839 -0.261 1.00 0.00 C ATOM 0 H VAL A 66 6.776 -1.968 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 66 8.743 -0.079 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 66 9.239 -2.512 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.085 -1.137 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.212 -1.381 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.629 0.173 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.871 -1.069 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.324 0.242 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.386 -1.267 -0.272 1.00 0.00 H new ATOM 1016 N CYS A 67 9.606 -1.432 -4.912 1.00 0.00 N ATOM 1017 CA CYS A 67 10.201 -2.192 -6.006 1.00 0.00 C ATOM 1018 C CYS A 67 11.651 -1.776 -6.230 1.00 0.00 C ATOM 1019 O CYS A 67 12.098 -0.746 -5.726 1.00 0.00 O ATOM 1020 CB CYS A 67 9.395 -1.991 -7.290 1.00 0.00 C ATOM 1021 SG CYS A 67 9.390 -0.289 -7.900 1.00 0.00 S ATOM 0 H CYS A 67 9.583 -0.423 -5.062 1.00 0.00 H new ATOM 0 HA CYS A 67 10.183 -3.248 -5.736 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.799 -2.642 -8.065 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.366 -2.305 -7.113 1.00 0.00 H new ATOM 0 HG CYS A 67 9.508 0.531 -6.898 1.00 0.00 H new ATOM 1027 N LYS A 68 12.382 -2.586 -6.989 1.00 0.00 N ATOM 1028 CA LYS A 68 13.783 -2.304 -7.280 1.00 0.00 C ATOM 1029 C LYS A 68 13.963 -1.898 -8.739 1.00 0.00 C ATOM 1030 O LYS A 68 14.011 -2.747 -9.630 1.00 0.00 O ATOM 1031 CB LYS A 68 14.646 -3.530 -6.971 1.00 0.00 C ATOM 1032 CG LYS A 68 16.119 -3.330 -7.282 1.00 0.00 C ATOM 1033 CD LYS A 68 16.972 -4.427 -6.667 1.00 0.00 C ATOM 1034 CE LYS A 68 17.340 -4.106 -5.227 1.00 0.00 C ATOM 1035 NZ LYS A 68 18.616 -3.343 -5.137 1.00 0.00 N ATOM 0 H LYS A 68 12.027 -3.443 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 68 14.101 -1.475 -6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.537 -3.784 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.274 -4.379 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.265 -3.316 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.443 -2.360 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.432 -5.373 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.880 -4.556 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.538 -3.528 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.430 -5.033 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.832 -3.144 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.386 -3.905 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.522 -2.447 -5.656 1.00 0.00 H new ATOM 1049 N LEU A 69 14.065 -0.594 -8.977 1.00 0.00 N ATOM 1050 CA LEU A 69 14.242 -0.075 -10.328 1.00 0.00 C ATOM 1051 C LEU A 69 15.339 -0.837 -11.065 1.00 0.00 C ATOM 1052 O LEU A 69 16.393 -1.148 -10.510 1.00 0.00 O ATOM 1053 CB LEU A 69 14.583 1.416 -10.282 1.00 0.00 C ATOM 1054 CG LEU A 69 13.638 2.295 -9.463 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.381 3.497 -8.901 1.00 0.00 C ATOM 1056 CD2 LEU A 69 12.458 2.745 -10.312 1.00 0.00 C ATOM 0 H LEU A 69 14.028 0.122 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 69 13.305 -0.211 -10.869 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.590 1.526 -9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.605 1.795 -11.304 1.00 0.00 H new ATOM 0 HG LEU A 69 13.256 1.706 -8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.693 4.112 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.192 3.155 -8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.791 4.087 -9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.796 3.370 -9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.821 3.316 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.911 1.872 -10.666 1.00 0.00 H new ATOM 1068 N PRO A 70 15.089 -1.142 -12.347 1.00 0.00 N ATOM 1069 CA PRO A 70 16.045 -1.869 -13.188 1.00 0.00 C ATOM 1070 C PRO A 70 17.274 -1.031 -13.526 1.00 0.00 C ATOM 1071 O PRO A 70 18.408 -1.475 -13.345 1.00 0.00 O ATOM 1072 CB PRO A 70 15.242 -2.174 -14.455 1.00 0.00 C ATOM 1073 CG PRO A 70 14.195 -1.115 -14.505 1.00 0.00 C ATOM 1074 CD PRO A 70 13.855 -0.802 -13.074 1.00 0.00 C ATOM 0 HA PRO A 70 16.434 -2.756 -12.689 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.876 -2.146 -15.341 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.797 -3.168 -14.412 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.561 -0.228 -15.022 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.316 -1.461 -15.049 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.589 0.247 -12.945 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.007 -1.391 -12.724 1.00 0.00 H new ATOM 1082 N ARG A 71 17.041 0.182 -14.016 1.00 0.00 N ATOM 1083 CA ARG A 71 18.130 1.081 -14.379 1.00 0.00 C ATOM 1084 C ARG A 71 18.872 1.566 -13.137 1.00 0.00 C ATOM 1085 O ARG A 71 20.101 1.521 -13.078 1.00 0.00 O ATOM 1086 CB ARG A 71 17.591 2.278 -15.164 1.00 0.00 C ATOM 1087 CG ARG A 71 16.672 1.891 -16.311 1.00 0.00 C ATOM 1088 CD ARG A 71 17.448 1.262 -17.458 1.00 0.00 C ATOM 1089 NE ARG A 71 17.773 -0.137 -17.197 1.00 0.00 N ATOM 1090 CZ ARG A 71 18.720 -0.806 -17.846 1.00 0.00 C ATOM 1091 NH1 ARG A 71 19.431 -0.205 -18.790 1.00 0.00 N ATOM 1092 NH2 ARG A 71 18.958 -2.077 -17.551 1.00 0.00 N ATOM 0 H ARG A 71 16.108 0.565 -14.171 1.00 0.00 H new ATOM 0 HA ARG A 71 18.830 0.529 -15.006 1.00 0.00 H new ATOM 0 HB2 ARG A 71 17.050 2.935 -14.482 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.430 2.850 -15.559 1.00 0.00 H new ATOM 0 HG2 ARG A 71 15.917 1.191 -15.954 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.143 2.774 -16.669 1.00 0.00 H new ATOM 0 HD2 ARG A 71 16.862 1.333 -18.374 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.368 1.823 -17.624 1.00 0.00 H new ATOM 0 HE ARG A 71 17.244 -0.628 -16.477 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.251 0.773 -19.019 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.158 -0.720 -19.287 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.414 -2.543 -16.825 1.00 0.00 H new ATOM 0 HH22 ARG A 71 19.685 -2.589 -18.050 1.00 0.00 H new ATOM 1106 N LEU A 72 18.117 2.030 -12.147 1.00 0.00 N ATOM 1107 CA LEU A 72 18.702 2.524 -10.905 1.00 0.00 C ATOM 1108 C LEU A 72 18.898 1.389 -9.906 1.00 0.00 C ATOM 1109 O LEU A 72 17.980 0.609 -9.649 1.00 0.00 O ATOM 1110 CB LEU A 72 17.812 3.608 -10.295 1.00 0.00 C ATOM 1111 CG LEU A 72 17.984 5.017 -10.864 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.809 5.899 -10.471 1.00 0.00 C ATOM 1113 CD2 LEU A 72 19.294 5.628 -10.389 1.00 0.00 C ATOM 0 H LEU A 72 17.099 2.074 -12.180 1.00 0.00 H new ATOM 0 HA LEU A 72 19.678 2.951 -11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.771 3.310 -10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.003 3.645 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 72 18.012 4.948 -11.951 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.949 6.898 -10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.886 5.471 -10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.749 5.962 -9.384 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.399 6.630 -10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.296 5.684 -9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 72 20.126 5.008 -10.722 1.00 0.00 H new ATOM 1125 N SER A 73 20.099 1.303 -9.343 1.00 0.00 N ATOM 1126 CA SER A 73 20.416 0.262 -8.372 1.00 0.00 C ATOM 1127 C SER A 73 19.861 0.616 -6.996 1.00 0.00 C ATOM 1128 O SER A 73 20.563 0.523 -5.988 1.00 0.00 O ATOM 1129 CB SER A 73 21.930 0.058 -8.288 1.00 0.00 C ATOM 1130 OG SER A 73 22.248 -1.069 -7.491 1.00 0.00 O ATOM 0 H SER A 73 20.869 1.942 -9.543 1.00 0.00 H new ATOM 0 HA SER A 73 19.950 -0.666 -8.704 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.339 -0.074 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.398 0.948 -7.868 1.00 0.00 H new ATOM 0 HG SER A 73 21.836 -0.972 -6.607 1.00 0.00 H new ATOM 1136 N LEU A 74 18.597 1.022 -6.961 1.00 0.00 N ATOM 1137 CA LEU A 74 17.946 1.391 -5.708 1.00 0.00 C ATOM 1138 C LEU A 74 16.482 0.963 -5.709 1.00 0.00 C ATOM 1139 O LEU A 74 15.990 0.400 -6.686 1.00 0.00 O ATOM 1140 CB LEU A 74 18.048 2.900 -5.483 1.00 0.00 C ATOM 1141 CG LEU A 74 19.431 3.518 -5.689 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.608 3.960 -7.133 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.638 4.691 -4.741 1.00 0.00 C ATOM 0 H LEU A 74 18.002 1.104 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 74 18.456 0.874 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.347 3.395 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.723 3.118 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 74 20.183 2.761 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.598 4.397 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.504 3.098 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.849 4.701 -7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.628 5.118 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.879 5.450 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.555 4.345 -3.711 1.00 0.00 H new ATOM 1155 N ASN A 75 15.791 1.235 -4.607 1.00 0.00 N ATOM 1156 CA ASN A 75 14.382 0.880 -4.481 1.00 0.00 C ATOM 1157 C ASN A 75 13.491 2.096 -4.716 1.00 0.00 C ATOM 1158 O ASN A 75 13.741 3.174 -4.179 1.00 0.00 O ATOM 1159 CB ASN A 75 14.105 0.290 -3.097 1.00 0.00 C ATOM 1160 CG ASN A 75 15.184 -0.680 -2.655 1.00 0.00 C ATOM 1161 OD1 ASN A 75 16.376 -0.407 -2.801 1.00 0.00 O ATOM 1162 ND2 ASN A 75 14.770 -1.818 -2.112 1.00 0.00 N ATOM 0 H ASN A 75 16.184 1.700 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 75 14.152 0.132 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.027 1.098 -2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.143 -0.222 -3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.450 -2.509 -1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.772 -2.001 -2.011 1.00 0.00 H new ATOM 1169 N GLY A 76 12.449 1.913 -5.522 1.00 0.00 N ATOM 1170 CA GLY A 76 11.536 3.003 -5.813 1.00 0.00 C ATOM 1171 C GLY A 76 10.123 2.716 -5.346 1.00 0.00 C ATOM 1172 O GLY A 76 9.692 1.563 -5.321 1.00 0.00 O ATOM 0 H GLY A 76 12.221 1.030 -5.978 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.896 3.913 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.529 3.191 -6.887 1.00 0.00 H new ATOM 1176 N VAL A 77 9.400 3.767 -4.973 1.00 0.00 N ATOM 1177 CA VAL A 77 8.027 3.623 -4.504 1.00 0.00 C ATOM 1178 C VAL A 77 7.037 3.735 -5.659 1.00 0.00 C ATOM 1179 O VAL A 77 7.336 4.338 -6.689 1.00 0.00 O ATOM 1180 CB VAL A 77 7.682 4.683 -3.442 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.224 4.566 -3.024 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.602 4.550 -2.238 1.00 0.00 C ATOM 0 H VAL A 77 9.742 4.728 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 77 7.948 2.632 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 77 7.832 5.671 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.999 5.323 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.583 4.715 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.044 3.576 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.344 5.307 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.486 3.559 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.636 4.689 -2.553 1.00 0.00 H new ATOM 1192 N ARG A 78 5.857 3.151 -5.478 1.00 0.00 N ATOM 1193 CA ARG A 78 4.823 3.184 -6.505 1.00 0.00 C ATOM 1194 C ARG A 78 3.624 4.007 -6.042 1.00 0.00 C ATOM 1195 O ARG A 78 3.322 4.068 -4.850 1.00 0.00 O ATOM 1196 CB ARG A 78 4.375 1.764 -6.856 1.00 0.00 C ATOM 1197 CG ARG A 78 5.517 0.852 -7.273 1.00 0.00 C ATOM 1198 CD ARG A 78 5.767 0.922 -8.772 1.00 0.00 C ATOM 1199 NE ARG A 78 4.838 0.081 -9.521 1.00 0.00 N ATOM 1200 CZ ARG A 78 4.918 -1.244 -9.566 1.00 0.00 C ATOM 1201 NH1 ARG A 78 5.880 -1.876 -8.908 1.00 0.00 N ATOM 1202 NH2 ARG A 78 4.035 -1.940 -10.271 1.00 0.00 N ATOM 0 H ARG A 78 5.593 2.649 -4.630 1.00 0.00 H new ATOM 0 HA ARG A 78 5.244 3.654 -7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.869 1.328 -5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.645 1.811 -7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.424 1.135 -6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.286 -0.175 -6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.672 1.955 -9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.790 0.610 -8.984 1.00 0.00 H new ATOM 0 HE ARG A 78 4.086 0.536 -10.038 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.561 -1.345 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.939 -2.894 -8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.294 -1.457 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.098 -2.958 -10.305 1.00 0.00 H new ATOM 1216 N PHE A 79 2.944 4.640 -6.993 1.00 0.00 N ATOM 1217 CA PHE A 79 1.779 5.460 -6.683 1.00 0.00 C ATOM 1218 C PHE A 79 0.668 5.234 -7.704 1.00 0.00 C ATOM 1219 O PHE A 79 0.751 5.692 -8.843 1.00 0.00 O ATOM 1220 CB PHE A 79 2.165 6.940 -6.653 1.00 0.00 C ATOM 1221 CG PHE A 79 2.998 7.318 -5.462 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.304 6.872 -5.343 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.475 8.121 -4.460 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.073 7.218 -4.248 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.239 8.470 -3.362 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.540 8.019 -3.257 1.00 0.00 C ATOM 0 H PHE A 79 3.180 4.601 -7.985 1.00 0.00 H new ATOM 0 HA PHE A 79 1.410 5.167 -5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.715 7.182 -7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.258 7.544 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.726 6.246 -6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.459 8.478 -4.538 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.090 6.862 -4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.819 9.094 -2.587 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.140 8.292 -2.401 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.374 4.522 -7.286 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.504 4.234 -8.161 1.00 0.00 C ATOM 1238 C LYS A 80 -2.702 5.111 -7.811 1.00 0.00 C ATOM 1239 O LYS A 80 -3.197 5.079 -6.684 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.892 2.757 -8.057 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.947 2.333 -9.065 1.00 0.00 C ATOM 1242 CD LYS A 80 -3.354 0.882 -8.869 1.00 0.00 C ATOM 1243 CE LYS A 80 -2.421 -0.064 -9.608 1.00 0.00 C ATOM 1244 NZ LYS A 80 -2.649 -1.484 -9.221 1.00 0.00 N ATOM 0 H LYS A 80 -0.459 4.134 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.203 4.454 -9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.001 2.145 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.261 2.557 -7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.823 2.974 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.562 2.471 -10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.349 0.642 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.375 0.738 -9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.567 0.047 -10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.387 0.208 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.880 -2.074 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.669 -1.562 -8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.557 -1.808 -9.610 1.00 0.00 H new ATOM 1258 N ARG A 81 -3.162 5.892 -8.782 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.302 6.777 -8.576 1.00 0.00 C ATOM 1260 C ARG A 81 -5.609 6.071 -8.924 1.00 0.00 C ATOM 1261 O ARG A 81 -6.001 6.011 -10.090 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.152 8.043 -9.422 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.433 8.853 -9.538 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.301 9.957 -10.576 1.00 0.00 C ATOM 1265 NE ARG A 81 -6.602 10.442 -11.027 1.00 0.00 N ATOM 1266 CZ ARG A 81 -6.778 11.149 -12.138 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -5.741 11.451 -12.906 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -7.994 11.554 -12.482 1.00 0.00 N ATOM 0 H ARG A 81 -2.763 5.930 -9.720 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.329 7.054 -7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.374 8.670 -8.987 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.816 7.765 -10.421 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.258 8.194 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.678 9.290 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.732 10.785 -10.154 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.736 9.585 -11.431 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.421 10.226 -10.458 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.805 11.141 -12.645 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.879 11.994 -13.758 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.794 11.323 -11.893 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.128 12.097 -13.335 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.278 5.539 -7.907 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.540 4.838 -8.107 1.00 0.00 C ATOM 1284 C ILE A 82 -8.688 5.821 -8.316 1.00 0.00 C ATOM 1285 O ILE A 82 -9.256 5.905 -9.404 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.873 3.926 -6.912 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.687 3.012 -6.594 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -9.119 3.103 -7.204 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -6.452 1.942 -7.637 1.00 0.00 C ATOM 0 H ILE A 82 -5.967 5.580 -6.936 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.422 4.225 -9.000 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.070 4.551 -6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.787 3.619 -6.498 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.855 2.536 -5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.341 2.464 -6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.961 3.770 -7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.948 2.485 -8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.597 1.332 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.337 1.311 -7.717 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.253 2.411 -8.601 1.00 0.00 H new ATOM 1301 N SER A 83 -9.022 6.564 -7.266 1.00 0.00 N ATOM 1302 CA SER A 83 -10.102 7.541 -7.333 1.00 0.00 C ATOM 1303 C SER A 83 -9.613 8.923 -6.911 1.00 0.00 C ATOM 1304 O SER A 83 -8.622 9.051 -6.193 1.00 0.00 O ATOM 1305 CB SER A 83 -11.267 7.106 -6.442 1.00 0.00 C ATOM 1306 OG SER A 83 -10.951 7.275 -5.071 1.00 0.00 O ATOM 0 H SER A 83 -8.560 6.508 -6.358 1.00 0.00 H new ATOM 0 HA SER A 83 -10.444 7.596 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.155 7.689 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.508 6.061 -6.637 1.00 0.00 H new ATOM 0 HG SER A 83 -11.712 6.991 -4.523 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.316 9.957 -7.364 1.00 0.00 N ATOM 1313 CA GLY A 84 -9.939 11.316 -7.024 1.00 0.00 C ATOM 1314 C GLY A 84 -9.304 12.050 -8.189 1.00 0.00 C ATOM 1315 O GLY A 84 -8.405 11.526 -8.848 1.00 0.00 O ATOM 0 H GLY A 84 -11.140 9.877 -7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.822 11.862 -6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.242 11.298 -6.186 1.00 0.00 H new ATOM 1319 N THR A 85 -9.773 13.267 -8.447 1.00 0.00 N ATOM 1320 CA THR A 85 -9.248 14.073 -9.542 1.00 0.00 C ATOM 1321 C THR A 85 -7.751 14.313 -9.378 1.00 0.00 C ATOM 1322 O THR A 85 -7.181 14.041 -8.322 1.00 0.00 O ATOM 1323 CB THR A 85 -9.967 15.432 -9.635 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.378 16.228 -10.668 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.893 16.175 -8.310 1.00 0.00 C ATOM 0 H THR A 85 -10.516 13.716 -7.912 1.00 0.00 H new ATOM 0 HA THR A 85 -9.426 13.513 -10.460 1.00 0.00 H new ATOM 0 HB THR A 85 -11.015 15.248 -9.872 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.842 17.090 -10.722 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.407 17.132 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.369 15.579 -7.531 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.849 16.348 -8.047 1.00 0.00 H new ATOM 1333 N SER A 86 -7.121 14.825 -10.430 1.00 0.00 N ATOM 1334 CA SER A 86 -5.689 15.100 -10.404 1.00 0.00 C ATOM 1335 C SER A 86 -5.344 16.081 -9.288 1.00 0.00 C ATOM 1336 O SER A 86 -4.406 15.860 -8.521 1.00 0.00 O ATOM 1337 CB SER A 86 -5.231 15.662 -11.752 1.00 0.00 C ATOM 1338 OG SER A 86 -5.549 14.773 -12.809 1.00 0.00 O ATOM 0 H SER A 86 -7.579 15.058 -11.311 1.00 0.00 H new ATOM 0 HA SER A 86 -5.168 14.162 -10.213 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.707 16.627 -11.928 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.155 15.837 -11.730 1.00 0.00 H new ATOM 0 HG SER A 86 -5.248 15.155 -13.660 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.108 17.164 -9.204 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.885 18.179 -8.181 1.00 0.00 C ATOM 1346 C ILE A 87 -5.776 17.549 -6.797 1.00 0.00 C ATOM 1347 O ILE A 87 -4.735 17.632 -6.146 1.00 0.00 O ATOM 1348 CB ILE A 87 -7.016 19.225 -8.170 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -7.193 19.831 -9.563 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.721 20.312 -7.147 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -5.906 20.346 -10.167 1.00 0.00 C ATOM 0 H ILE A 87 -6.887 17.362 -9.832 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.946 18.675 -8.427 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.946 18.731 -7.889 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.620 19.078 -10.226 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.911 20.649 -9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.529 21.044 -7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.640 19.866 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.783 20.806 -7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.108 20.761 -11.154 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.488 21.122 -9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.193 19.527 -10.257 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.859 16.918 -6.353 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.884 16.271 -5.047 1.00 0.00 C ATOM 1365 C ALA A 88 -5.784 15.220 -4.934 1.00 0.00 C ATOM 1366 O ALA A 88 -5.005 15.222 -3.981 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.246 15.641 -4.796 1.00 0.00 C ATOM 0 H ALA A 88 -7.730 16.841 -6.879 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.703 17.032 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.250 15.161 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.015 16.413 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.450 14.897 -5.566 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.727 14.323 -5.913 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.723 13.265 -5.922 1.00 0.00 C ATOM 1375 C PHE A 89 -3.345 13.819 -5.575 1.00 0.00 C ATOM 1376 O PHE A 89 -2.731 13.415 -4.587 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.681 12.585 -7.292 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.621 11.527 -7.404 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.483 10.559 -6.423 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.761 11.502 -8.491 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.508 9.584 -6.523 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.785 10.529 -8.596 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.657 9.570 -7.611 1.00 0.00 C ATOM 0 H PHE A 89 -6.364 14.307 -6.710 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.000 12.530 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.653 12.137 -7.496 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.511 13.341 -8.059 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.145 10.566 -5.570 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.855 12.251 -9.264 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.412 8.834 -5.752 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.122 10.519 -9.449 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.893 8.811 -7.691 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.864 14.749 -6.394 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.559 15.361 -6.175 1.00 0.00 C ATOM 1395 C LYS A 90 -1.502 16.049 -4.815 1.00 0.00 C ATOM 1396 O LYS A 90 -0.444 16.126 -4.192 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.255 16.372 -7.283 1.00 0.00 C ATOM 1398 CG LYS A 90 0.230 16.572 -7.533 1.00 0.00 C ATOM 1399 CD LYS A 90 0.796 17.686 -6.669 1.00 0.00 C ATOM 1400 CE LYS A 90 0.233 19.042 -7.069 1.00 0.00 C ATOM 1401 NZ LYS A 90 1.078 20.162 -6.570 1.00 0.00 N ATOM 0 H LYS A 90 -3.359 15.095 -7.216 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.807 14.572 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.729 16.040 -8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.703 17.331 -7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.763 15.644 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.394 16.807 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.565 17.489 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.882 17.701 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.159 19.099 -8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.778 19.146 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.661 21.069 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.128 20.123 -5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.036 20.077 -6.966 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.647 16.546 -4.360 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.727 17.227 -3.072 1.00 0.00 C ATOM 1417 C ASN A 91 -2.206 16.333 -1.951 1.00 0.00 C ATOM 1418 O ASN A 91 -1.253 16.684 -1.255 1.00 0.00 O ATOM 1419 CB ASN A 91 -4.170 17.642 -2.780 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.251 18.895 -1.930 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.647 18.972 -0.860 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -4.999 19.884 -2.404 1.00 0.00 N ATOM 0 H ASN A 91 -3.532 16.490 -4.863 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.103 18.119 -3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.694 17.810 -3.721 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.683 16.827 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.091 20.752 -1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.482 19.776 -3.296 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.838 15.176 -1.783 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.437 14.231 -0.748 1.00 0.00 C ATOM 1431 C ILE A 92 -1.119 13.552 -1.104 1.00 0.00 C ATOM 1432 O ILE A 92 -0.338 13.190 -0.224 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.513 13.152 -0.523 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -3.053 12.156 0.544 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.822 12.433 -1.828 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.628 12.812 1.839 1.00 0.00 C ATOM 0 H ILE A 92 -3.629 14.871 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.311 14.804 0.171 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.424 13.636 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.863 11.456 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.220 11.573 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.584 11.673 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.187 13.152 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.916 11.958 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.315 12.047 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.797 13.491 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.466 13.372 2.255 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.877 13.385 -2.400 1.00 0.00 N ATOM 1449 CA ALA A 93 0.349 12.753 -2.873 1.00 0.00 C ATOM 1450 C ALA A 93 1.575 13.568 -2.474 1.00 0.00 C ATOM 1451 O ALA A 93 2.612 13.010 -2.115 1.00 0.00 O ATOM 1452 CB ALA A 93 0.301 12.573 -4.382 1.00 0.00 C ATOM 0 H ALA A 93 -1.513 13.678 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 93 0.428 11.772 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.223 12.100 -4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.549 11.944 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.195 13.546 -4.861 1.00 0.00 H new ATOM 1458 N SER A 94 1.450 14.889 -2.541 1.00 0.00 N ATOM 1459 CA SER A 94 2.550 15.780 -2.191 1.00 0.00 C ATOM 1460 C SER A 94 2.880 15.678 -0.705 1.00 0.00 C ATOM 1461 O SER A 94 3.939 16.121 -0.260 1.00 0.00 O ATOM 1462 CB SER A 94 2.197 17.225 -2.549 1.00 0.00 C ATOM 1463 OG SER A 94 3.350 18.049 -2.541 1.00 0.00 O ATOM 0 H SER A 94 0.598 15.366 -2.835 1.00 0.00 H new ATOM 0 HA SER A 94 3.427 15.476 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.731 17.255 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.466 17.611 -1.839 1.00 0.00 H new ATOM 0 HG SER A 94 3.098 18.967 -2.774 1.00 0.00 H new ATOM 1469 N LYS A 95 1.965 15.092 0.059 1.00 0.00 N ATOM 1470 CA LYS A 95 2.157 14.929 1.495 1.00 0.00 C ATOM 1471 C LYS A 95 2.953 13.664 1.798 1.00 0.00 C ATOM 1472 O LYS A 95 3.633 13.577 2.821 1.00 0.00 O ATOM 1473 CB LYS A 95 0.804 14.875 2.208 1.00 0.00 C ATOM 1474 CG LYS A 95 -0.043 16.119 2.002 1.00 0.00 C ATOM 1475 CD LYS A 95 -1.048 16.303 3.126 1.00 0.00 C ATOM 1476 CE LYS A 95 -1.381 17.772 3.341 1.00 0.00 C ATOM 1477 NZ LYS A 95 -0.363 18.453 4.188 1.00 0.00 N ATOM 0 H LYS A 95 1.082 14.722 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 95 2.720 15.788 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.250 14.006 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.971 14.732 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.603 16.995 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.570 16.048 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.960 15.752 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.646 15.881 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.446 18.275 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.361 17.857 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.626 19.452 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.319 17.989 5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.568 18.394 3.727 1.00 0.00 H new ATOM 1491 N ILE A 96 2.866 12.687 0.902 1.00 0.00 N ATOM 1492 CA ILE A 96 3.581 11.428 1.073 1.00 0.00 C ATOM 1493 C ILE A 96 5.026 11.548 0.602 1.00 0.00 C ATOM 1494 O ILE A 96 5.959 11.229 1.339 1.00 0.00 O ATOM 1495 CB ILE A 96 2.896 10.283 0.304 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.422 10.182 0.701 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.612 8.966 0.567 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.208 9.659 2.104 1.00 0.00 C ATOM 0 H ILE A 96 2.308 12.743 0.050 1.00 0.00 H new ATOM 0 HA ILE A 96 3.567 11.199 2.139 1.00 0.00 H new ATOM 0 HB ILE A 96 2.951 10.498 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.963 11.167 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.908 9.528 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.116 8.166 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.649 9.044 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.585 8.744 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.140 9.614 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.637 8.661 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.692 10.325 2.818 1.00 0.00 H new ATOM 1510 N ALA A 97 5.205 12.013 -0.630 1.00 0.00 N ATOM 1511 CA ALA A 97 6.536 12.180 -1.198 1.00 0.00 C ATOM 1512 C ALA A 97 7.394 13.094 -0.329 1.00 0.00 C ATOM 1513 O ALA A 97 8.569 12.817 -0.092 1.00 0.00 O ATOM 1514 CB ALA A 97 6.441 12.731 -2.613 1.00 0.00 C ATOM 0 H ALA A 97 4.444 12.281 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 97 7.014 11.201 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.443 12.851 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.873 12.039 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.939 13.698 -2.594 1.00 0.00 H new ATOM 1520 N ASN A 98 6.798 14.184 0.143 1.00 0.00 N ATOM 1521 CA ASN A 98 7.508 15.139 0.985 1.00 0.00 C ATOM 1522 C ASN A 98 7.872 14.515 2.328 1.00 0.00 C ATOM 1523 O ASN A 98 9.044 14.267 2.611 1.00 0.00 O ATOM 1524 CB ASN A 98 6.654 16.390 1.206 1.00 0.00 C ATOM 1525 CG ASN A 98 7.386 17.458 1.994 1.00 0.00 C ATOM 1526 OD1 ASN A 98 7.770 17.243 3.144 1.00 0.00 O ATOM 1527 ND2 ASN A 98 7.583 18.618 1.378 1.00 0.00 N ATOM 0 H ASN A 98 5.825 14.428 -0.043 1.00 0.00 H new ATOM 0 HA ASN A 98 8.429 15.421 0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.354 16.797 0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.741 16.115 1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.070 19.375 1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.248 18.752 0.424 1.00 0.00 H new ATOM 1534 N GLU A 99 6.859 14.263 3.152 1.00 0.00 N ATOM 1535 CA GLU A 99 7.073 13.667 4.465 1.00 0.00 C ATOM 1536 C GLU A 99 8.096 12.538 4.390 1.00 0.00 C ATOM 1537 O GLU A 99 9.073 12.518 5.140 1.00 0.00 O ATOM 1538 CB GLU A 99 5.754 13.138 5.031 1.00 0.00 C ATOM 1539 CG GLU A 99 4.844 14.228 5.575 1.00 0.00 C ATOM 1540 CD GLU A 99 5.220 14.654 6.981 1.00 0.00 C ATOM 1541 OE1 GLU A 99 6.062 13.971 7.602 1.00 0.00 O ATOM 1542 OE2 GLU A 99 4.673 15.669 7.460 1.00 0.00 O ATOM 0 H GLU A 99 5.883 14.462 2.933 1.00 0.00 H new ATOM 0 HA GLU A 99 7.460 14.441 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.226 12.592 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.970 12.426 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.885 15.094 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.814 13.872 5.571 1.00 0.00 H new ATOM 1549 N LEU A 100 7.865 11.597 3.481 1.00 0.00 N ATOM 1550 CA LEU A 100 8.765 10.463 3.307 1.00 0.00 C ATOM 1551 C LEU A 100 10.220 10.892 3.471 1.00 0.00 C ATOM 1552 O LEU A 100 10.806 11.495 2.571 1.00 0.00 O ATOM 1553 CB LEU A 100 8.560 9.830 1.929 1.00 0.00 C ATOM 1554 CG LEU A 100 7.484 8.748 1.841 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.325 8.268 0.407 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.823 7.583 2.760 1.00 0.00 C ATOM 0 H LEU A 100 7.061 11.597 2.853 1.00 0.00 H new ATOM 0 HA LEU A 100 8.534 9.726 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.310 10.621 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.507 9.399 1.605 1.00 0.00 H new ATOM 0 HG LEU A 100 6.537 9.178 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.555 7.498 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.036 9.106 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.270 7.855 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.046 6.822 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.781 7.154 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.885 7.937 3.789 1.00 0.00 H new ATOM 1568 N LYS A 101 10.798 10.575 4.624 1.00 0.00 N ATOM 1569 CA LYS A 101 12.186 10.924 4.906 1.00 0.00 C ATOM 1570 C LYS A 101 13.138 9.888 4.317 1.00 0.00 C ATOM 1571 O LYS A 101 13.825 9.174 5.048 1.00 0.00 O ATOM 1572 CB LYS A 101 12.408 11.036 6.416 1.00 0.00 C ATOM 1573 CG LYS A 101 13.674 11.789 6.790 1.00 0.00 C ATOM 1574 CD LYS A 101 13.769 12.008 8.290 1.00 0.00 C ATOM 1575 CE LYS A 101 14.419 10.822 8.987 1.00 0.00 C ATOM 1576 NZ LYS A 101 13.422 9.776 9.347 1.00 0.00 N ATOM 0 H LYS A 101 10.327 10.077 5.379 1.00 0.00 H new ATOM 0 HA LYS A 101 12.394 11.888 4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.551 11.538 6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.451 10.034 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.545 11.231 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.690 12.752 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.346 12.910 8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.772 12.170 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.179 10.390 8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.928 11.164 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.729 9.286 10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.496 10.221 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.343 9.090 8.570 1.00 0.00 H new ATOM 1590 N LEU A 102 13.175 9.812 2.991 1.00 0.00 N ATOM 1591 CA LEU A 102 14.045 8.864 2.303 1.00 0.00 C ATOM 1592 C LEU A 102 15.087 9.594 1.461 1.00 0.00 C ATOM 1593 O LEU A 102 15.646 9.029 0.521 1.00 0.00 O ATOM 1594 CB LEU A 102 13.216 7.933 1.415 1.00 0.00 C ATOM 1595 CG LEU A 102 11.951 7.354 2.048 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.975 6.903 0.972 1.00 0.00 C ATOM 1597 CD2 LEU A 102 12.299 6.197 2.973 1.00 0.00 C ATOM 0 H LEU A 102 12.613 10.395 2.371 1.00 0.00 H new ATOM 0 HA LEU A 102 14.564 8.271 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.931 8.479 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.851 7.106 1.097 1.00 0.00 H new ATOM 0 HG LEU A 102 11.473 8.135 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.080 6.493 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.701 7.755 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.443 6.137 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.386 5.797 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.800 5.414 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.961 6.550 3.764 1.00 0.00 H new