USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 453 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 72 HIS : no HD1:sc= -4.21! C(o=-9.7!,f=-9.7!) USER MOD Set 1.2: A 76 ASN : amide:sc= -5.51! C(o=-9.7!,f=-16!) USER MOD Set 2.1: A 17 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Set 2.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.0251 (180deg=-0.444) USER MOD Single : A 25 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.46) USER MOD Single : A 28 ASN : amide:sc= -3.9! K(o=-3.9!,f=-0.62) USER MOD Single : A 29 SER OG : rot -62:sc= 1.08 USER MOD Single : A 36 GLN : amide:sc= -2.81! K(o=-2.8!,f=-0.46) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -137:sc= -3.2! (180deg=-5.14!) USER MOD Single : A 79 THR OG1 : rot -130:sc= -0.282 USER MOD Single : A 80 ASN : amide:sc= -4.25! K(o=-4.2!,f=-2.6) USER MOD Single : A 81 GLN : amide:sc= -5.68! C(o=-5.7!,f=-4.1!) USER MOD Single : A 86 THR OG1 : rot 167:sc= 0.77 USER MOD Single : A 93 SER OG : rot 144:sc= 0.509 USER MOD Single : A 94 THR OG1 : rot -19:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 268 N ASN A 17 6.873 9.332 -7.269 1.00 0.00 N ATOM 269 CA ASN A 17 6.763 8.220 -8.266 1.00 0.00 C ATOM 270 C ASN A 17 6.155 6.977 -7.591 1.00 0.00 C ATOM 271 O ASN A 17 6.883 6.075 -7.225 1.00 0.00 O ATOM 272 CB ASN A 17 8.164 7.864 -8.771 1.00 0.00 C ATOM 273 CG ASN A 17 8.052 6.922 -9.972 1.00 0.00 C ATOM 274 OD1 ASN A 17 8.832 6.001 -10.110 1.00 0.00 O ATOM 275 ND2 ASN A 17 7.109 7.115 -10.854 1.00 0.00 N ATOM 0 HA ASN A 17 6.129 8.538 -9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.700 8.769 -9.055 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.739 7.389 -7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.028 6.493 -11.658 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.454 7.888 -10.739 1.00 0.00 H new ATOM 282 N PRO A 18 4.847 6.950 -7.434 1.00 0.00 N ATOM 283 CA PRO A 18 4.177 5.801 -6.790 1.00 0.00 C ATOM 284 C PRO A 18 4.479 4.513 -7.574 1.00 0.00 C ATOM 285 O PRO A 18 4.171 3.420 -7.142 1.00 0.00 O ATOM 286 CB PRO A 18 2.671 6.156 -6.817 1.00 0.00 C ATOM 287 CG PRO A 18 2.546 7.609 -7.360 1.00 0.00 C ATOM 288 CD PRO A 18 3.941 8.035 -7.870 1.00 0.00 C ATOM 0 HA PRO A 18 4.519 5.622 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.124 5.460 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.241 6.081 -5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.813 7.656 -8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.202 8.283 -6.576 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.949 8.146 -8.954 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.241 8.995 -7.449 1.00 0.00 H new ATOM 296 N LYS A 19 5.087 4.645 -8.719 1.00 0.00 N ATOM 297 CA LYS A 19 5.430 3.455 -9.546 1.00 0.00 C ATOM 298 C LYS A 19 6.378 2.526 -8.783 1.00 0.00 C ATOM 299 O LYS A 19 6.294 1.321 -8.901 1.00 0.00 O ATOM 300 CB LYS A 19 6.126 3.923 -10.829 1.00 0.00 C ATOM 301 CG LYS A 19 6.454 2.705 -11.715 1.00 0.00 C ATOM 302 CD LYS A 19 6.561 3.138 -13.181 1.00 0.00 C ATOM 303 CE LYS A 19 7.090 1.972 -14.016 1.00 0.00 C ATOM 304 NZ LYS A 19 6.188 0.797 -13.855 1.00 0.00 N ATOM 0 H LYS A 19 5.365 5.540 -9.123 1.00 0.00 H new ATOM 0 HA LYS A 19 4.514 2.914 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.483 4.617 -11.371 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.040 4.462 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.391 2.251 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.679 1.947 -11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.585 3.452 -13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.227 3.996 -13.271 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.147 2.259 -15.066 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.101 1.714 -13.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.390 0.100 -14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.346 0.363 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.198 1.107 -13.930 1.00 0.00 H new ATOM 318 N THR A 20 7.296 3.063 -8.022 1.00 0.00 N ATOM 319 CA THR A 20 8.246 2.188 -7.295 1.00 0.00 C ATOM 320 C THR A 20 7.525 1.444 -6.167 1.00 0.00 C ATOM 321 O THR A 20 7.781 0.283 -5.919 1.00 0.00 O ATOM 322 CB THR A 20 9.386 3.036 -6.728 1.00 0.00 C ATOM 323 OG1 THR A 20 10.149 3.575 -7.797 1.00 0.00 O ATOM 324 CG2 THR A 20 10.275 2.161 -5.852 1.00 0.00 C ATOM 0 H THR A 20 7.424 4.064 -7.877 1.00 0.00 H new ATOM 0 HA THR A 20 8.656 1.451 -7.985 1.00 0.00 H new ATOM 0 HB THR A 20 8.977 3.851 -6.131 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.879 4.120 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.089 2.761 -5.446 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.686 1.747 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.687 1.348 -6.449 1.00 0.00 H new ATOM 332 N PHE A 21 6.624 2.093 -5.484 1.00 0.00 N ATOM 333 CA PHE A 21 5.895 1.401 -4.382 1.00 0.00 C ATOM 334 C PHE A 21 5.229 0.142 -4.961 1.00 0.00 C ATOM 335 O PHE A 21 5.201 -0.904 -4.342 1.00 0.00 O ATOM 336 CB PHE A 21 4.845 2.385 -3.784 1.00 0.00 C ATOM 337 CG PHE A 21 3.489 1.725 -3.616 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.637 1.601 -4.719 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.092 1.240 -2.364 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.387 0.993 -4.574 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.839 0.631 -2.217 1.00 0.00 C ATOM 342 CZ PHE A 21 0.986 0.508 -3.321 1.00 0.00 C ATOM 0 H PHE A 21 6.361 3.066 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 21 6.571 1.099 -3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.195 2.748 -2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.749 3.254 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.946 1.976 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.750 1.335 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.731 0.897 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.531 0.256 -1.252 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.020 0.040 -3.207 1.00 0.00 H new ATOM 352 N PHE A 22 4.691 0.244 -6.142 1.00 0.00 N ATOM 353 CA PHE A 22 4.022 -0.927 -6.771 1.00 0.00 C ATOM 354 C PHE A 22 5.041 -2.042 -7.055 1.00 0.00 C ATOM 355 O PHE A 22 4.745 -3.218 -6.929 1.00 0.00 O ATOM 356 CB PHE A 22 3.374 -0.477 -8.090 1.00 0.00 C ATOM 357 CG PHE A 22 2.444 -1.559 -8.587 1.00 0.00 C ATOM 358 CD1 PHE A 22 2.944 -2.611 -9.364 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.082 -1.511 -8.266 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.082 -3.614 -9.822 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.220 -2.513 -8.725 1.00 0.00 C ATOM 362 CZ PHE A 22 0.719 -3.564 -9.502 1.00 0.00 C ATOM 0 H PHE A 22 4.686 1.095 -6.704 1.00 0.00 H new ATOM 0 HA PHE A 22 3.264 -1.316 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.822 0.451 -7.939 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.143 -0.273 -8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.995 -2.648 -9.610 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.697 -0.701 -7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.467 -4.426 -10.421 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.831 -2.475 -8.479 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.053 -4.337 -9.855 1.00 0.00 H new ATOM 372 N ILE A 23 6.242 -1.692 -7.441 1.00 0.00 N ATOM 373 CA ILE A 23 7.256 -2.729 -7.744 1.00 0.00 C ATOM 374 C ILE A 23 7.713 -3.389 -6.446 1.00 0.00 C ATOM 375 O ILE A 23 7.551 -4.578 -6.252 1.00 0.00 O ATOM 376 CB ILE A 23 8.430 -2.053 -8.447 1.00 0.00 C ATOM 377 CG1 ILE A 23 7.950 -1.517 -9.802 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.548 -3.066 -8.663 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.030 -0.643 -10.439 1.00 0.00 C ATOM 0 H ILE A 23 6.558 -0.729 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 23 6.838 -3.501 -8.390 1.00 0.00 H new ATOM 0 HB ILE A 23 8.807 -1.233 -7.836 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.708 -2.348 -10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.036 -0.938 -9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.386 -2.582 -9.165 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.878 -3.455 -7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.181 -3.887 -9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.676 -0.269 -11.400 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.252 0.198 -9.782 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.934 -1.233 -10.590 1.00 0.00 H new ATOM 391 N LEU A 24 8.285 -2.633 -5.552 1.00 0.00 N ATOM 392 CA LEU A 24 8.751 -3.233 -4.266 1.00 0.00 C ATOM 393 C LEU A 24 7.645 -4.143 -3.668 1.00 0.00 C ATOM 394 O LEU A 24 7.939 -5.182 -3.111 1.00 0.00 O ATOM 395 CB LEU A 24 9.113 -2.101 -3.278 1.00 0.00 C ATOM 396 CG LEU A 24 10.286 -2.514 -2.363 1.00 0.00 C ATOM 397 CD1 LEU A 24 9.977 -3.856 -1.686 1.00 0.00 C ATOM 398 CD2 LEU A 24 11.599 -2.623 -3.171 1.00 0.00 C ATOM 0 H LEU A 24 8.451 -1.632 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 24 9.634 -3.845 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.380 -1.202 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.243 -1.853 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 24 10.412 -1.747 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.810 -4.139 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.071 -3.761 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.830 -4.622 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.412 -2.915 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.483 -3.372 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.829 -1.658 -3.623 1.00 0.00 H new ATOM 410 N HIS A 25 6.384 -3.777 -3.781 1.00 0.00 N ATOM 411 CA HIS A 25 5.305 -4.648 -3.220 1.00 0.00 C ATOM 412 C HIS A 25 5.111 -5.870 -4.123 1.00 0.00 C ATOM 413 O HIS A 25 4.501 -6.845 -3.732 1.00 0.00 O ATOM 414 CB HIS A 25 3.981 -3.875 -3.127 1.00 0.00 C ATOM 415 CG HIS A 25 4.078 -2.829 -2.049 1.00 0.00 C ATOM 416 ND1 HIS A 25 3.081 -2.651 -1.101 1.00 0.00 N ATOM 417 CD2 HIS A 25 5.044 -1.902 -1.754 1.00 0.00 C ATOM 418 CE1 HIS A 25 3.467 -1.649 -0.291 1.00 0.00 C ATOM 419 NE2 HIS A 25 4.656 -1.158 -0.643 1.00 0.00 N ATOM 0 H HIS A 25 6.063 -2.921 -4.233 1.00 0.00 H new ATOM 0 HA HIS A 25 5.601 -4.966 -2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.756 -3.405 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.163 -4.561 -2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.966 -1.769 -2.300 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.885 -1.286 0.543 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.171 -0.400 -0.195 1.00 0.00 H new ATOM 427 N ASP A 26 5.637 -5.841 -5.321 1.00 0.00 N ATOM 428 CA ASP A 26 5.484 -7.025 -6.218 1.00 0.00 C ATOM 429 C ASP A 26 6.451 -8.124 -5.758 1.00 0.00 C ATOM 430 O ASP A 26 7.604 -8.148 -6.143 1.00 0.00 O ATOM 431 CB ASP A 26 5.808 -6.633 -7.662 1.00 0.00 C ATOM 432 CG ASP A 26 4.845 -5.541 -8.128 1.00 0.00 C ATOM 433 OD1 ASP A 26 3.843 -5.339 -7.463 1.00 0.00 O ATOM 434 OD2 ASP A 26 5.125 -4.926 -9.144 1.00 0.00 O ATOM 0 H ASP A 26 6.160 -5.058 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 26 4.457 -7.387 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.836 -6.278 -7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.727 -7.504 -8.312 1.00 0.00 H new ATOM 439 N ILE A 27 5.998 -9.023 -4.924 1.00 0.00 N ATOM 440 CA ILE A 27 6.886 -10.103 -4.420 1.00 0.00 C ATOM 441 C ILE A 27 7.118 -11.164 -5.502 1.00 0.00 C ATOM 442 O ILE A 27 8.244 -11.498 -5.813 1.00 0.00 O ATOM 443 CB ILE A 27 6.225 -10.737 -3.196 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.836 -9.635 -2.205 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.194 -11.696 -2.521 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.196 -10.262 -0.962 1.00 0.00 C ATOM 0 H ILE A 27 5.042 -9.052 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 27 7.855 -9.684 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 27 5.337 -11.285 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.717 -9.060 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.139 -8.940 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.715 -12.144 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.477 -12.481 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.084 -11.152 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.920 -9.476 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.305 -10.818 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.907 -10.939 -0.489 1.00 0.00 H new ATOM 458 N ASN A 28 6.076 -11.705 -6.076 1.00 0.00 N ATOM 459 CA ASN A 28 6.268 -12.749 -7.131 1.00 0.00 C ATOM 460 C ASN A 28 6.448 -12.084 -8.497 1.00 0.00 C ATOM 461 O ASN A 28 6.390 -12.734 -9.523 1.00 0.00 O ATOM 462 CB ASN A 28 5.055 -13.681 -7.170 1.00 0.00 C ATOM 463 CG ASN A 28 4.779 -14.225 -5.765 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.820 -14.941 -5.557 1.00 0.00 O ATOM 465 ND2 ASN A 28 5.584 -13.913 -4.783 1.00 0.00 N ATOM 0 H ASN A 28 5.106 -11.473 -5.864 1.00 0.00 H new ATOM 0 HA ASN A 28 7.160 -13.330 -6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.182 -13.143 -7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.239 -14.504 -7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.406 -14.271 -3.844 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.390 -13.312 -4.955 1.00 0.00 H new ATOM 472 N SER A 29 6.688 -10.800 -8.517 1.00 0.00 N ATOM 473 CA SER A 29 6.898 -10.089 -9.813 1.00 0.00 C ATOM 474 C SER A 29 5.885 -10.565 -10.856 1.00 0.00 C ATOM 475 O SER A 29 6.239 -10.925 -11.962 1.00 0.00 O ATOM 476 CB SER A 29 8.315 -10.356 -10.307 1.00 0.00 C ATOM 477 OG SER A 29 8.402 -10.051 -11.694 1.00 0.00 O ATOM 0 H SER A 29 6.748 -10.210 -7.687 1.00 0.00 H new ATOM 0 HA SER A 29 6.757 -9.019 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.027 -9.751 -9.746 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.580 -11.399 -10.136 1.00 0.00 H new ATOM 0 HG SER A 29 7.792 -10.631 -12.195 1.00 0.00 H new ATOM 483 N ASP A 30 4.622 -10.556 -10.521 1.00 0.00 N ATOM 484 CA ASP A 30 3.581 -10.992 -11.497 1.00 0.00 C ATOM 485 C ASP A 30 3.048 -9.754 -12.216 1.00 0.00 C ATOM 486 O ASP A 30 2.236 -9.840 -13.116 1.00 0.00 O ATOM 487 CB ASP A 30 2.436 -11.683 -10.750 1.00 0.00 C ATOM 488 CG ASP A 30 1.410 -12.205 -11.756 1.00 0.00 C ATOM 489 OD1 ASP A 30 1.807 -12.531 -12.862 1.00 0.00 O ATOM 490 OD2 ASP A 30 0.244 -12.272 -11.403 1.00 0.00 O ATOM 0 H ASP A 30 4.266 -10.265 -9.611 1.00 0.00 H new ATOM 0 HA ASP A 30 4.008 -11.690 -12.216 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.824 -12.506 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.962 -10.983 -10.062 1.00 0.00 H new ATOM 495 N GLY A 31 3.506 -8.601 -11.813 1.00 0.00 N ATOM 496 CA GLY A 31 3.044 -7.337 -12.449 1.00 0.00 C ATOM 497 C GLY A 31 1.651 -6.978 -11.929 1.00 0.00 C ATOM 498 O GLY A 31 1.105 -5.950 -12.276 1.00 0.00 O ATOM 0 H GLY A 31 4.187 -8.480 -11.063 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.744 -6.531 -12.229 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.020 -7.451 -13.533 1.00 0.00 H new ATOM 502 N VAL A 32 1.078 -7.807 -11.083 1.00 0.00 N ATOM 503 CA VAL A 32 -0.277 -7.502 -10.517 1.00 0.00 C ATOM 504 C VAL A 32 -0.293 -7.912 -9.033 1.00 0.00 C ATOM 505 O VAL A 32 0.553 -8.668 -8.595 1.00 0.00 O ATOM 506 CB VAL A 32 -1.369 -8.271 -11.312 1.00 0.00 C ATOM 507 CG1 VAL A 32 -0.936 -8.436 -12.773 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.625 -9.660 -10.701 1.00 0.00 C ATOM 0 H VAL A 32 1.492 -8.682 -10.761 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.488 -6.436 -10.600 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.290 -7.691 -11.262 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.707 -8.976 -13.322 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.791 -7.454 -13.223 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.002 -8.996 -12.815 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.393 -10.175 -11.278 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.704 -10.242 -10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.959 -9.548 -9.670 1.00 0.00 H new ATOM 518 N LEU A 33 -1.265 -7.460 -8.277 1.00 0.00 N ATOM 519 CA LEU A 33 -1.364 -7.870 -6.817 1.00 0.00 C ATOM 520 C LEU A 33 -2.698 -8.617 -6.625 1.00 0.00 C ATOM 521 O LEU A 33 -3.741 -8.152 -7.038 1.00 0.00 O ATOM 522 CB LEU A 33 -1.285 -6.635 -5.862 1.00 0.00 C ATOM 523 CG LEU A 33 0.127 -6.502 -5.250 1.00 0.00 C ATOM 524 CD1 LEU A 33 1.213 -6.628 -6.343 1.00 0.00 C ATOM 525 CD2 LEU A 33 0.247 -5.133 -4.557 1.00 0.00 C ATOM 0 H LEU A 33 -1.998 -6.826 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.523 -8.515 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.534 -5.728 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.023 -6.738 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 33 0.275 -7.303 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.199 -6.531 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.130 -7.601 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.076 -5.841 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.241 -5.031 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.088 -4.340 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.503 -5.057 -3.770 1.00 0.00 H new ATOM 537 N ASP A 34 -2.663 -9.782 -6.017 1.00 0.00 N ATOM 538 CA ASP A 34 -3.926 -10.580 -5.812 1.00 0.00 C ATOM 539 C ASP A 34 -4.336 -10.559 -4.332 1.00 0.00 C ATOM 540 O ASP A 34 -3.590 -10.142 -3.468 1.00 0.00 O ATOM 541 CB ASP A 34 -3.695 -12.032 -6.255 1.00 0.00 C ATOM 542 CG ASP A 34 -2.695 -12.703 -5.312 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.915 -11.988 -4.706 1.00 0.00 O ATOM 544 OD2 ASP A 34 -2.729 -13.920 -5.212 1.00 0.00 O ATOM 0 H ASP A 34 -1.816 -10.218 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.723 -10.135 -6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.638 -12.579 -6.250 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.318 -12.055 -7.278 1.00 0.00 H new ATOM 549 N GLU A 35 -5.527 -11.013 -4.046 1.00 0.00 N ATOM 550 CA GLU A 35 -6.023 -11.035 -2.637 1.00 0.00 C ATOM 551 C GLU A 35 -4.998 -11.703 -1.720 1.00 0.00 C ATOM 552 O GLU A 35 -5.126 -11.664 -0.513 1.00 0.00 O ATOM 553 CB GLU A 35 -7.340 -11.808 -2.583 1.00 0.00 C ATOM 554 CG GLU A 35 -8.058 -11.520 -1.263 1.00 0.00 C ATOM 555 CD GLU A 35 -9.436 -12.190 -1.271 1.00 0.00 C ATOM 556 OE1 GLU A 35 -10.211 -11.896 -2.166 1.00 0.00 O ATOM 557 OE2 GLU A 35 -9.693 -12.984 -0.381 1.00 0.00 O ATOM 0 H GLU A 35 -6.186 -11.374 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.178 -10.011 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.974 -11.522 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.149 -12.877 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.466 -11.892 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.166 -10.444 -1.123 1.00 0.00 H new ATOM 564 N GLN A 36 -3.978 -12.293 -2.265 1.00 0.00 N ATOM 565 CA GLN A 36 -2.943 -12.936 -1.401 1.00 0.00 C ATOM 566 C GLN A 36 -1.939 -11.875 -0.953 1.00 0.00 C ATOM 567 O GLN A 36 -1.477 -11.876 0.172 1.00 0.00 O ATOM 568 CB GLN A 36 -2.216 -14.031 -2.186 1.00 0.00 C ATOM 569 CG GLN A 36 -3.236 -15.035 -2.723 1.00 0.00 C ATOM 570 CD GLN A 36 -3.803 -15.867 -1.565 1.00 0.00 C ATOM 571 OE1 GLN A 36 -4.704 -16.658 -1.759 1.00 0.00 O ATOM 572 NE2 GLN A 36 -3.313 -15.721 -0.361 1.00 0.00 N ATOM 0 H GLN A 36 -3.811 -12.361 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.422 -13.383 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.654 -13.591 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.495 -14.537 -1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.042 -14.510 -3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.765 -15.689 -3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.556 -15.057 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.688 -16.271 0.412 1.00 0.00 H new ATOM 581 N GLU A 37 -1.604 -10.961 -1.820 1.00 0.00 N ATOM 582 CA GLU A 37 -0.639 -9.894 -1.441 1.00 0.00 C ATOM 583 C GLU A 37 -1.364 -8.843 -0.596 1.00 0.00 C ATOM 584 O GLU A 37 -0.780 -8.206 0.258 1.00 0.00 O ATOM 585 CB GLU A 37 -0.060 -9.247 -2.703 1.00 0.00 C ATOM 586 CG GLU A 37 0.903 -10.227 -3.375 1.00 0.00 C ATOM 587 CD GLU A 37 1.515 -9.575 -4.616 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.354 -8.704 -4.450 1.00 0.00 O ATOM 589 OE2 GLU A 37 1.134 -9.956 -5.710 1.00 0.00 O ATOM 0 H GLU A 37 -1.957 -10.907 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 37 0.178 -10.324 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.863 -8.979 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.461 -8.325 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.690 -10.515 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.374 -11.139 -3.654 1.00 0.00 H new ATOM 596 N LEU A 38 -2.642 -8.664 -0.818 1.00 0.00 N ATOM 597 CA LEU A 38 -3.404 -7.663 -0.015 1.00 0.00 C ATOM 598 C LEU A 38 -3.707 -8.275 1.359 1.00 0.00 C ATOM 599 O LEU A 38 -3.617 -7.611 2.371 1.00 0.00 O ATOM 600 CB LEU A 38 -4.736 -7.307 -0.732 1.00 0.00 C ATOM 601 CG LEU A 38 -4.564 -6.173 -1.781 1.00 0.00 C ATOM 602 CD1 LEU A 38 -3.501 -6.533 -2.830 1.00 0.00 C ATOM 603 CD2 LEU A 38 -5.900 -5.939 -2.508 1.00 0.00 C ATOM 0 H LEU A 38 -3.188 -9.166 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.815 -6.753 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.128 -8.197 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.474 -7.002 0.010 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.247 -5.275 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.407 -5.718 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.543 -6.694 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.798 -7.443 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.780 -5.144 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.206 -6.856 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.663 -5.651 -1.784 1.00 0.00 H new ATOM 615 N GLU A 39 -4.058 -9.532 1.409 1.00 0.00 N ATOM 616 CA GLU A 39 -4.355 -10.163 2.726 1.00 0.00 C ATOM 617 C GLU A 39 -3.062 -10.288 3.535 1.00 0.00 C ATOM 618 O GLU A 39 -3.028 -10.002 4.715 1.00 0.00 O ATOM 619 CB GLU A 39 -4.959 -11.554 2.505 1.00 0.00 C ATOM 620 CG GLU A 39 -6.423 -11.415 2.083 1.00 0.00 C ATOM 621 CD GLU A 39 -7.260 -10.947 3.276 1.00 0.00 C ATOM 622 OE1 GLU A 39 -7.628 -11.786 4.082 1.00 0.00 O ATOM 623 OE2 GLU A 39 -7.517 -9.758 3.365 1.00 0.00 O ATOM 0 H GLU A 39 -4.151 -10.146 0.600 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.066 -9.544 3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.398 -12.088 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.888 -12.142 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.509 -10.702 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.798 -12.370 1.715 1.00 0.00 H new ATOM 630 N ALA A 40 -2.005 -10.725 2.914 1.00 0.00 N ATOM 631 CA ALA A 40 -0.719 -10.882 3.648 1.00 0.00 C ATOM 632 C ALA A 40 -0.133 -9.511 4.009 1.00 0.00 C ATOM 633 O ALA A 40 0.601 -9.374 4.962 1.00 0.00 O ATOM 634 CB ALA A 40 0.276 -11.640 2.782 1.00 0.00 C ATOM 0 H ALA A 40 -1.975 -10.981 1.927 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.910 -11.438 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.216 -11.753 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.126 -12.625 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.452 -11.086 1.860 1.00 0.00 H new ATOM 640 N LEU A 41 -0.420 -8.497 3.245 1.00 0.00 N ATOM 641 CA LEU A 41 0.162 -7.156 3.552 1.00 0.00 C ATOM 642 C LEU A 41 -0.555 -6.513 4.759 1.00 0.00 C ATOM 643 O LEU A 41 0.013 -5.697 5.455 1.00 0.00 O ATOM 644 CB LEU A 41 0.048 -6.266 2.297 1.00 0.00 C ATOM 645 CG LEU A 41 0.584 -4.847 2.557 1.00 0.00 C ATOM 646 CD1 LEU A 41 1.976 -4.904 3.200 1.00 0.00 C ATOM 647 CD2 LEU A 41 0.660 -4.105 1.219 1.00 0.00 C ATOM 0 H LEU A 41 -1.027 -8.534 2.426 1.00 0.00 H new ATOM 0 HA LEU A 41 1.213 -7.264 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.603 -6.720 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.995 -6.210 1.984 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.085 -4.325 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.337 -3.891 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.917 -5.438 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.664 -5.424 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.038 -3.096 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.330 -4.638 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.334 -4.052 0.775 1.00 0.00 H new ATOM 659 N PHE A 42 -1.790 -6.864 5.025 1.00 0.00 N ATOM 660 CA PHE A 42 -2.496 -6.243 6.200 1.00 0.00 C ATOM 661 C PHE A 42 -2.120 -6.977 7.496 1.00 0.00 C ATOM 662 O PHE A 42 -1.948 -6.369 8.538 1.00 0.00 O ATOM 663 CB PHE A 42 -4.029 -6.294 6.023 1.00 0.00 C ATOM 664 CG PHE A 42 -4.447 -5.786 4.645 1.00 0.00 C ATOM 665 CD1 PHE A 42 -3.881 -4.615 4.098 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.407 -6.499 3.902 1.00 0.00 C ATOM 667 CE1 PHE A 42 -4.267 -4.178 2.827 1.00 0.00 C ATOM 668 CE2 PHE A 42 -5.788 -6.053 2.633 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.215 -4.896 2.095 1.00 0.00 C ATOM 0 H PHE A 42 -2.336 -7.541 4.492 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.181 -5.201 6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.379 -7.318 6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.506 -5.691 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.149 -4.056 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.851 -7.393 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.831 -3.282 2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.526 -6.603 2.067 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.506 -4.557 1.112 1.00 0.00 H new ATOM 679 N THR A 43 -2.016 -8.274 7.458 1.00 0.00 N ATOM 680 CA THR A 43 -1.687 -9.029 8.702 1.00 0.00 C ATOM 681 C THR A 43 -0.219 -8.827 9.109 1.00 0.00 C ATOM 682 O THR A 43 0.089 -8.687 10.276 1.00 0.00 O ATOM 683 CB THR A 43 -1.966 -10.521 8.472 1.00 0.00 C ATOM 684 OG1 THR A 43 -3.351 -10.699 8.210 1.00 0.00 O ATOM 685 CG2 THR A 43 -1.579 -11.324 9.718 1.00 0.00 C ATOM 0 H THR A 43 -2.144 -8.845 6.623 1.00 0.00 H new ATOM 0 HA THR A 43 -2.311 -8.652 9.513 1.00 0.00 H new ATOM 0 HB THR A 43 -1.378 -10.872 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.536 -11.650 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.780 -12.381 9.546 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.518 -11.185 9.925 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.163 -10.977 10.570 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.434 -4.093 10.963 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.239 -5.140 9.921 1.00 0.00 C ATOM 1059 C ARG A 66 -9.251 -4.928 8.791 1.00 0.00 C ATOM 1060 O ARG A 66 -8.903 -4.895 7.628 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.465 -6.522 10.555 1.00 0.00 C ATOM 1062 CG ARG A 66 -8.157 -7.615 9.530 1.00 0.00 C ATOM 1063 CD ARG A 66 -7.984 -8.956 10.245 1.00 0.00 C ATOM 1064 NE ARG A 66 -9.179 -9.224 11.094 1.00 0.00 N ATOM 1065 CZ ARG A 66 -9.395 -10.425 11.555 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -8.564 -11.391 11.269 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -10.440 -10.663 12.299 1.00 0.00 N ATOM 0 HA ARG A 66 -7.228 -5.078 9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.826 -6.640 11.430 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.496 -6.611 10.898 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.965 -7.682 8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.250 -7.366 8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.856 -9.756 9.515 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.084 -8.939 10.860 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.828 -8.469 11.315 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.748 -11.206 10.686 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.731 -12.331 11.629 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.090 -9.909 12.521 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.607 -11.603 12.658 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.503 -4.788 9.128 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.545 -4.586 8.083 1.00 0.00 C ATOM 1083 C LEU A 67 -11.543 -3.120 7.626 1.00 0.00 C ATOM 1084 O LEU A 67 -11.922 -2.810 6.513 1.00 0.00 O ATOM 1085 CB LEU A 67 -12.922 -5.002 8.653 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.643 -3.810 9.328 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.334 -2.907 8.270 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.688 -4.348 10.323 1.00 0.00 C ATOM 0 H LEU A 67 -10.851 -4.805 10.087 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.332 -5.206 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.544 -5.397 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.789 -5.805 9.378 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.905 -3.206 9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.833 -2.077 8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.586 -2.517 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.069 -3.492 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.199 -3.512 10.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.415 -4.961 9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.191 -4.952 11.082 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.124 -2.215 8.467 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.115 -0.776 8.058 1.00 0.00 C ATOM 1102 C ARG A 68 -10.195 -0.590 6.841 1.00 0.00 C ATOM 1103 O ARG A 68 -10.491 0.165 5.936 1.00 0.00 O ATOM 1104 CB ARG A 68 -10.624 0.090 9.235 1.00 0.00 C ATOM 1105 CG ARG A 68 -11.214 1.508 9.145 1.00 0.00 C ATOM 1106 CD ARG A 68 -10.717 2.220 7.879 1.00 0.00 C ATOM 1107 NE ARG A 68 -10.687 3.689 8.123 1.00 0.00 N ATOM 1108 CZ ARG A 68 -10.035 4.472 7.309 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -9.408 3.969 6.280 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -10.009 5.759 7.522 1.00 0.00 N ATOM 0 H ARG A 68 -10.790 -2.404 9.412 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.124 -0.467 7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.914 -0.371 10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.535 0.142 9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.303 1.455 9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.931 2.082 10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.722 1.863 7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.372 1.992 7.038 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.176 4.083 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.428 2.963 6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.898 4.582 5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.499 6.153 8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.499 6.371 6.885 1.00 0.00 H new ATOM 1124 N MET A 69 -9.085 -1.277 6.806 1.00 0.00 N ATOM 1125 CA MET A 69 -8.154 -1.135 5.640 1.00 0.00 C ATOM 1126 C MET A 69 -8.608 -2.047 4.498 1.00 0.00 C ATOM 1127 O MET A 69 -8.729 -1.614 3.369 1.00 0.00 O ATOM 1128 CB MET A 69 -6.712 -1.496 6.039 1.00 0.00 C ATOM 1129 CG MET A 69 -6.292 -0.748 7.314 1.00 0.00 C ATOM 1130 SD MET A 69 -4.821 -1.540 8.012 1.00 0.00 S ATOM 1131 CE MET A 69 -4.418 -0.254 9.218 1.00 0.00 C ATOM 0 H MET A 69 -8.780 -1.929 7.529 1.00 0.00 H new ATOM 0 HA MET A 69 -8.175 -0.095 5.313 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.634 -2.571 6.201 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.032 -1.246 5.225 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.083 0.297 7.085 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.105 -0.758 8.040 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.525 -0.542 9.772 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.236 0.687 8.699 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.251 -0.131 9.911 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.852 -3.298 4.757 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.283 -4.202 3.655 1.00 0.00 C ATOM 1143 C ARG A 70 -10.449 -3.581 2.876 1.00 0.00 C ATOM 1144 O ARG A 70 -10.652 -3.879 1.717 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.722 -5.548 4.239 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.863 -6.573 3.106 1.00 0.00 C ATOM 1147 CD ARG A 70 -10.385 -7.906 3.658 1.00 0.00 C ATOM 1148 NE ARG A 70 -10.235 -8.963 2.618 1.00 0.00 N ATOM 1149 CZ ARG A 70 -10.320 -10.222 2.950 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -10.533 -10.555 4.193 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -10.190 -11.149 2.040 1.00 0.00 N ATOM 0 H ARG A 70 -8.773 -3.733 5.676 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.444 -4.350 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.992 -5.895 4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.671 -5.437 4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.546 -6.194 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.899 -6.725 2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.832 -8.182 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.432 -7.809 3.945 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.066 -8.702 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.633 -9.831 4.905 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.600 -11.539 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.022 -10.889 1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.257 -12.133 2.301 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.230 -2.735 3.496 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.389 -2.124 2.772 1.00 0.00 C ATOM 1167 C GLU A 71 -11.944 -0.883 1.986 1.00 0.00 C ATOM 1168 O GLU A 71 -12.217 -0.758 0.808 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.468 -1.722 3.783 1.00 0.00 C ATOM 1170 CG GLU A 71 -14.194 -2.972 4.290 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.051 -3.560 3.167 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -15.711 -2.792 2.487 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -15.033 -4.769 3.007 1.00 0.00 O ATOM 0 H GLU A 71 -11.118 -2.441 4.466 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.788 -2.858 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.016 -1.189 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.180 -1.040 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.470 -3.711 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.821 -2.719 5.145 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.274 0.040 2.622 1.00 0.00 N ATOM 1181 CA HIS A 72 -10.835 1.272 1.900 1.00 0.00 C ATOM 1182 C HIS A 72 -10.022 0.899 0.656 1.00 0.00 C ATOM 1183 O HIS A 72 -10.155 1.516 -0.381 1.00 0.00 O ATOM 1184 CB HIS A 72 -9.980 2.141 2.828 1.00 0.00 C ATOM 1185 CG HIS A 72 -9.751 3.483 2.185 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -8.707 3.708 1.301 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -10.419 4.678 2.291 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -8.776 4.995 0.914 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -9.801 5.632 1.486 1.00 0.00 N ATOM 0 H HIS A 72 -11.012 -0.004 3.607 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.719 1.829 1.592 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.479 2.266 3.789 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.026 1.652 3.025 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.290 4.852 2.905 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.086 5.457 0.224 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.073 6.607 1.360 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.177 -0.092 0.738 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.372 -0.463 -0.462 1.00 0.00 C ATOM 1199 C VAL A 73 -9.263 -1.166 -1.489 1.00 0.00 C ATOM 1200 O VAL A 73 -9.316 -0.781 -2.641 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.222 -1.397 -0.063 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.511 -1.892 -1.327 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.234 -0.641 0.829 1.00 0.00 C ATOM 0 H VAL A 73 -9.010 -0.655 1.572 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.959 0.446 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.616 -2.251 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.693 -2.556 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.219 -2.433 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.114 -1.040 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.417 -1.305 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.834 0.215 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.746 -0.293 1.726 1.00 0.00 H new ATOM 1213 N MET A 74 -9.955 -2.197 -1.093 1.00 0.00 N ATOM 1214 CA MET A 74 -10.822 -2.919 -2.063 1.00 0.00 C ATOM 1215 C MET A 74 -11.936 -1.991 -2.554 1.00 0.00 C ATOM 1216 O MET A 74 -12.511 -2.211 -3.592 1.00 0.00 O ATOM 1217 CB MET A 74 -11.440 -4.159 -1.397 1.00 0.00 C ATOM 1218 CG MET A 74 -10.432 -5.315 -1.412 1.00 0.00 C ATOM 1219 SD MET A 74 -10.218 -5.901 -3.113 1.00 0.00 S ATOM 1220 CE MET A 74 -9.955 -7.652 -2.736 1.00 0.00 C ATOM 0 H MET A 74 -9.958 -2.569 -0.143 1.00 0.00 H new ATOM 0 HA MET A 74 -10.215 -3.235 -2.911 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.726 -3.927 -0.371 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.349 -4.450 -1.923 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.476 -4.984 -1.006 1.00 0.00 H new ATOM 0 HG3 MET A 74 -10.784 -6.128 -0.777 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.800 -8.204 -3.663 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.077 -7.759 -2.099 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.829 -8.048 -2.219 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.272 -0.974 -1.811 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.374 -0.066 -2.254 1.00 0.00 C ATOM 1232 C LYS A 75 -12.822 1.077 -3.119 1.00 0.00 C ATOM 1233 O LYS A 75 -13.473 1.530 -4.041 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.065 0.519 -1.019 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.255 1.381 -1.453 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.185 1.617 -0.256 1.00 0.00 C ATOM 1237 CE LYS A 75 -15.457 2.412 0.823 1.00 0.00 C ATOM 1238 NZ LYS A 75 -14.557 1.508 1.594 1.00 0.00 N ATOM 0 H LYS A 75 -11.836 -0.731 -0.921 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.086 -0.638 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.405 -0.285 -0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.359 1.119 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.902 2.335 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.800 0.887 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.076 2.157 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.520 0.662 0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.878 3.215 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.179 2.880 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.636 1.723 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.832 0.519 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.574 1.651 1.285 1.00 0.00 H new ATOM 1252 N ASN A 76 -11.647 1.571 -2.815 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.077 2.715 -3.603 1.00 0.00 C ATOM 1254 C ASN A 76 -10.042 2.251 -4.642 1.00 0.00 C ATOM 1255 O ASN A 76 -9.621 3.047 -5.458 1.00 0.00 O ATOM 1256 CB ASN A 76 -10.421 3.714 -2.640 1.00 0.00 C ATOM 1257 CG ASN A 76 -11.361 3.979 -1.462 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -10.917 4.159 -0.346 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -12.649 4.012 -1.664 1.00 0.00 N ATOM 0 H ASN A 76 -11.056 1.233 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.897 3.185 -4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.472 3.318 -2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.201 4.646 -3.160 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.283 4.189 -0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.022 3.861 -2.601 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.617 1.002 -4.644 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.599 0.558 -5.671 1.00 0.00 C ATOM 1268 C VAL A 77 -9.168 -0.547 -6.569 1.00 0.00 C ATOM 1269 O VAL A 77 -8.817 -0.637 -7.730 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.333 0.052 -4.975 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.349 -0.458 -6.035 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.680 1.207 -4.208 1.00 0.00 C ATOM 0 H VAL A 77 -9.923 0.280 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.353 1.418 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.590 -0.752 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.444 -0.820 -5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.809 -1.271 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.094 0.354 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.778 0.850 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.419 2.005 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.378 1.589 -3.463 1.00 0.00 H new ATOM 1282 N ASP A 78 -10.042 -1.384 -6.073 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.610 -2.456 -6.951 1.00 0.00 C ATOM 1284 C ASP A 78 -11.082 -1.831 -8.265 1.00 0.00 C ATOM 1285 O ASP A 78 -12.101 -1.174 -8.329 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.793 -3.134 -6.257 1.00 0.00 C ATOM 1287 CG ASP A 78 -12.950 -2.145 -6.111 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -12.683 -0.996 -5.800 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -14.080 -2.551 -6.314 1.00 0.00 O ATOM 0 H ASP A 78 -10.385 -1.375 -5.112 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.841 -3.202 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.115 -4.001 -6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.489 -3.499 -5.276 1.00 0.00 H new ATOM 1294 N THR A 79 -10.333 -1.998 -9.312 1.00 0.00 N ATOM 1295 CA THR A 79 -10.720 -1.389 -10.606 1.00 0.00 C ATOM 1296 C THR A 79 -11.815 -2.225 -11.280 1.00 0.00 C ATOM 1297 O THR A 79 -12.920 -1.757 -11.470 1.00 0.00 O ATOM 1298 CB THR A 79 -9.467 -1.287 -11.502 1.00 0.00 C ATOM 1299 OG1 THR A 79 -9.745 -1.818 -12.790 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.285 -2.056 -10.864 1.00 0.00 C ATOM 0 H THR A 79 -9.465 -2.533 -9.327 1.00 0.00 H new ATOM 0 HA THR A 79 -11.123 -0.390 -10.442 1.00 0.00 H new ATOM 0 HB THR A 79 -9.194 -0.236 -11.598 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.044 -2.456 -13.039 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.409 -1.975 -11.507 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.059 -1.629 -9.887 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.554 -3.106 -10.748 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.529 -3.449 -11.637 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.568 -4.317 -12.300 1.00 0.00 C ATOM 1310 C ASN A 80 -13.035 -5.399 -11.326 1.00 0.00 C ATOM 1311 O ASN A 80 -13.488 -6.453 -11.726 1.00 0.00 O ATOM 1312 CB ASN A 80 -11.996 -4.972 -13.561 1.00 0.00 C ATOM 1313 CG ASN A 80 -13.105 -5.748 -14.278 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -12.838 -6.517 -15.180 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -14.348 -5.583 -13.911 1.00 0.00 N ATOM 0 H ASN A 80 -10.621 -3.893 -11.501 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.414 -3.692 -12.584 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.582 -4.212 -14.223 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.179 -5.644 -13.297 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.091 -6.099 -14.381 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -14.575 -4.938 -13.154 1.00 0.00 H new ATOM 1322 N GLN A 81 -12.948 -5.123 -10.053 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.400 -6.096 -9.010 1.00 0.00 C ATOM 1324 C GLN A 81 -13.089 -7.540 -9.422 1.00 0.00 C ATOM 1325 O GLN A 81 -13.789 -8.464 -9.056 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.912 -5.939 -8.785 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.189 -4.717 -7.897 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.929 -5.074 -6.431 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -15.354 -4.369 -5.536 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -14.247 -6.149 -6.143 1.00 0.00 N ATOM 0 H GLN A 81 -12.576 -4.248 -9.683 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.860 -5.883 -8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.420 -5.825 -9.743 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.313 -6.838 -8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.552 -3.885 -8.197 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.221 -4.390 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.889 -6.742 -6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.072 -6.396 -5.169 1.00 0.00 H new ATOM 1339 N ASP A 82 -12.037 -7.745 -10.155 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.667 -9.128 -10.562 1.00 0.00 C ATOM 1341 C ASP A 82 -10.800 -9.708 -9.454 1.00 0.00 C ATOM 1342 O ASP A 82 -10.104 -10.686 -9.631 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.874 -9.079 -11.870 1.00 0.00 C ATOM 1344 CG ASP A 82 -11.777 -8.565 -12.992 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -12.984 -8.585 -12.810 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -11.247 -8.159 -14.014 1.00 0.00 O ATOM 0 H ASP A 82 -11.413 -7.013 -10.493 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.555 -9.741 -10.717 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.007 -8.428 -11.758 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.497 -10.071 -12.117 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.832 -9.067 -8.317 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.008 -9.507 -7.158 1.00 0.00 C ATOM 1353 C ARG A 83 -8.535 -9.387 -7.533 1.00 0.00 C ATOM 1354 O ARG A 83 -7.655 -9.625 -6.730 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.332 -10.954 -6.767 1.00 0.00 C ATOM 1356 CG ARG A 83 -11.858 -11.129 -6.633 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.187 -12.529 -6.076 1.00 0.00 C ATOM 1358 NE ARG A 83 -13.417 -13.060 -6.743 1.00 0.00 N ATOM 1359 CZ ARG A 83 -14.498 -12.333 -6.845 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -14.590 -11.191 -6.220 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -15.513 -12.778 -7.533 1.00 0.00 N ATOM 0 H ARG A 83 -11.406 -8.242 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.232 -8.873 -6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.943 -11.640 -7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.844 -11.204 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.263 -10.362 -5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.333 -10.995 -7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.349 -13.205 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.340 -12.476 -4.998 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.411 -14.006 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.814 -10.860 -5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.437 -10.630 -6.305 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.460 -13.689 -7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.359 -12.215 -7.616 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.262 -9.001 -8.757 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.855 -8.836 -9.224 1.00 0.00 C ATOM 1377 C LEU A 84 -6.700 -7.392 -9.714 1.00 0.00 C ATOM 1378 O LEU A 84 -7.539 -6.873 -10.423 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.598 -9.826 -10.384 1.00 0.00 C ATOM 1380 CG LEU A 84 -5.877 -11.098 -9.877 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -6.805 -11.925 -8.972 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.461 -11.940 -11.089 1.00 0.00 C ATOM 0 H LEU A 84 -8.969 -8.791 -9.461 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.141 -9.038 -8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.545 -10.101 -10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.994 -9.343 -11.152 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.002 -10.807 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.278 -12.815 -8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.105 -11.325 -8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.690 -12.223 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.951 -12.841 -10.748 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.347 -12.218 -11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.789 -11.360 -11.722 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.639 -6.742 -9.321 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.409 -5.316 -9.730 1.00 0.00 C ATOM 1396 C VAL A 85 -4.201 -5.244 -10.664 1.00 0.00 C ATOM 1397 O VAL A 85 -3.145 -5.752 -10.346 1.00 0.00 O ATOM 1398 CB VAL A 85 -5.107 -4.491 -8.474 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.678 -3.078 -8.881 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.361 -4.421 -7.592 1.00 0.00 C ATOM 0 H VAL A 85 -4.910 -7.138 -8.727 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.292 -4.930 -10.239 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.300 -4.963 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.463 -2.491 -7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.784 -3.134 -9.502 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.481 -2.602 -9.443 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.145 -3.834 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.171 -3.950 -8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.658 -5.429 -7.301 1.00 0.00 H new ATOM 1410 N THR A 86 -4.326 -4.603 -11.801 1.00 0.00 N ATOM 1411 CA THR A 86 -3.151 -4.504 -12.723 1.00 0.00 C ATOM 1412 C THR A 86 -2.418 -3.187 -12.461 1.00 0.00 C ATOM 1413 O THR A 86 -2.925 -2.307 -11.794 1.00 0.00 O ATOM 1414 CB THR A 86 -3.616 -4.562 -14.172 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.556 -3.525 -14.417 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.259 -5.922 -14.443 1.00 0.00 C ATOM 0 H THR A 86 -5.179 -4.149 -12.128 1.00 0.00 H new ATOM 0 HA THR A 86 -2.476 -5.340 -12.542 1.00 0.00 H new ATOM 0 HB THR A 86 -2.761 -4.428 -14.834 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.697 -3.433 -15.382 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.593 -5.966 -15.480 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.530 -6.712 -14.262 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.114 -6.059 -13.780 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.235 -3.041 -12.984 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.477 -1.776 -12.768 1.00 0.00 C ATOM 1426 C LEU A 87 -1.174 -0.666 -13.557 1.00 0.00 C ATOM 1427 O LEU A 87 -1.289 0.454 -13.111 1.00 0.00 O ATOM 1428 CB LEU A 87 0.981 -1.985 -13.254 1.00 0.00 C ATOM 1429 CG LEU A 87 1.787 -0.659 -13.370 1.00 0.00 C ATOM 1430 CD1 LEU A 87 1.313 0.201 -14.561 1.00 0.00 C ATOM 1431 CD2 LEU A 87 1.707 0.134 -12.056 1.00 0.00 C ATOM 0 H LEU A 87 -0.759 -3.742 -13.552 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.451 -1.497 -11.715 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.494 -2.655 -12.564 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.966 -2.479 -14.226 1.00 0.00 H new ATOM 0 HG LEU A 87 2.828 -0.921 -13.558 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.902 1.117 -14.605 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.442 -0.358 -15.488 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.260 0.452 -14.432 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.276 1.059 -12.154 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.666 0.370 -11.836 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.122 -0.464 -11.245 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.652 -0.983 -14.722 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.348 0.031 -15.569 1.00 0.00 C ATOM 1445 C GLU A 88 -3.564 0.622 -14.849 1.00 0.00 C ATOM 1446 O GLU A 88 -3.583 1.787 -14.489 1.00 0.00 O ATOM 1447 CB GLU A 88 -2.817 -0.654 -16.854 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.601 -1.172 -17.628 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.059 -1.776 -18.957 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -3.228 -1.635 -19.278 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -1.233 -2.368 -19.633 1.00 0.00 O ATOM 0 H GLU A 88 -1.592 -1.914 -15.134 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.653 0.843 -15.785 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.488 -1.479 -16.615 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.381 0.048 -17.468 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.899 -0.358 -17.809 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.074 -1.922 -17.038 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.590 -0.155 -14.659 1.00 0.00 N ATOM 1459 CA GLU A 89 -5.808 0.380 -13.997 1.00 0.00 C ATOM 1460 C GLU A 89 -5.459 0.964 -12.619 1.00 0.00 C ATOM 1461 O GLU A 89 -6.082 1.902 -12.163 1.00 0.00 O ATOM 1462 CB GLU A 89 -6.836 -0.743 -13.836 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.533 -1.031 -15.163 1.00 0.00 C ATOM 1464 CD GLU A 89 -6.490 -1.338 -16.239 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -5.792 -2.328 -16.092 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.407 -0.579 -17.190 1.00 0.00 O ATOM 0 H GLU A 89 -4.638 -1.136 -14.933 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.226 1.174 -14.616 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.342 -1.646 -13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.574 -0.462 -13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.213 -1.875 -15.051 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.136 -0.173 -15.462 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.485 0.415 -11.942 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.131 0.943 -10.593 1.00 0.00 C ATOM 1475 C PHE A 90 -3.673 2.406 -10.701 1.00 0.00 C ATOM 1476 O PHE A 90 -4.143 3.263 -9.976 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.029 0.071 -9.987 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.409 0.772 -8.797 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.027 0.703 -7.543 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.224 1.500 -8.954 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.458 1.362 -6.446 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.654 2.157 -7.858 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.272 2.090 -6.604 1.00 0.00 C ATOM 0 H PHE A 90 -3.922 -0.372 -12.263 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.006 0.911 -9.944 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.442 -0.889 -9.679 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.265 -0.136 -10.736 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.942 0.142 -7.421 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.749 1.555 -9.922 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.934 1.309 -5.478 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.262 2.716 -7.980 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.834 2.600 -5.758 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.778 2.710 -11.604 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.326 4.124 -11.747 1.00 0.00 C ATOM 1495 C LEU A 91 -3.553 5.025 -11.877 1.00 0.00 C ATOM 1496 O LEU A 91 -3.671 6.033 -11.209 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.455 4.270 -13.004 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.117 3.525 -12.811 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.706 3.607 -14.103 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.693 4.142 -11.646 1.00 0.00 C ATOM 0 H LEU A 91 -2.344 2.045 -12.244 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.742 4.409 -10.872 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.982 3.869 -13.870 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.267 5.325 -13.205 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.332 2.483 -12.572 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.651 3.081 -13.967 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.149 3.147 -14.919 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.904 4.652 -14.343 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.632 3.601 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.903 5.189 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.116 4.071 -10.724 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.470 4.666 -12.735 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.694 5.498 -12.917 1.00 0.00 C ATOM 1514 C ALA A 92 -6.279 5.890 -11.553 1.00 0.00 C ATOM 1515 O ALA A 92 -6.413 7.056 -11.239 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.732 4.698 -13.703 1.00 0.00 C ATOM 0 H ALA A 92 -4.424 3.831 -13.319 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.431 6.405 -13.462 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.630 5.301 -13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.323 4.430 -14.677 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.985 3.791 -13.154 1.00 0.00 H new ATOM 1522 N SER A 93 -6.647 4.926 -10.749 1.00 0.00 N ATOM 1523 CA SER A 93 -7.242 5.244 -9.420 1.00 0.00 C ATOM 1524 C SER A 93 -6.383 6.273 -8.680 1.00 0.00 C ATOM 1525 O SER A 93 -6.880 7.037 -7.877 1.00 0.00 O ATOM 1526 CB SER A 93 -7.336 3.967 -8.585 1.00 0.00 C ATOM 1527 OG SER A 93 -7.869 4.283 -7.305 1.00 0.00 O ATOM 0 H SER A 93 -6.560 3.931 -10.957 1.00 0.00 H new ATOM 0 HA SER A 93 -8.237 5.661 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.971 3.236 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.350 3.514 -8.480 1.00 0.00 H new ATOM 0 HG SER A 93 -8.446 3.551 -7.001 1.00 0.00 H new ATOM 1533 N THR A 94 -5.099 6.309 -8.944 1.00 0.00 N ATOM 1534 CA THR A 94 -4.219 7.305 -8.250 1.00 0.00 C ATOM 1535 C THR A 94 -4.047 8.529 -9.150 1.00 0.00 C ATOM 1536 O THR A 94 -4.368 9.637 -8.769 1.00 0.00 O ATOM 1537 CB THR A 94 -2.851 6.678 -7.960 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.174 6.434 -9.184 1.00 0.00 O ATOM 1539 CG2 THR A 94 -3.039 5.360 -7.208 1.00 0.00 C ATOM 0 H THR A 94 -4.623 5.696 -9.606 1.00 0.00 H new ATOM 0 HA THR A 94 -4.676 7.604 -7.307 1.00 0.00 H new ATOM 0 HB THR A 94 -2.262 7.361 -7.348 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.820 6.434 -9.921 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.065 4.916 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.557 5.548 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.629 4.675 -7.817 1.00 0.00 H new