USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 696 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 58 TYR OH : rot 125:sc= 0.0827 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0.0624 X(o=0.15,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0426 K(o=-0.043,f=-1.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 140:sc= -4.8! USER MOD Single : A 29 SER OG : rot 34:sc= 0.275 USER MOD Single : A 30 MET CE :methyl 146:sc= -0.625 (180deg=-3.25!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -46:sc= 0.503 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -2.02! K(o=-2!,f=-0.86) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 64:sc= 0.252 USER MOD Single : A 92 TYR OH : rot 80:sc= -0.619 USER MOD Single : A 99 HIS : no HD1:sc= -0.888 X(o=-0.89,f=-1.2) USER MOD Single : A 100 THR OG1 : rot 30:sc= 0.474 USER MOD Single : A 108 SER OG : rot -107:sc= -0.383 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -98:sc= 0.207 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 7.581 -11.878 -5.449 1.00 0.00 N ATOM 215 CA PRO A 18 6.425 -12.296 -4.650 1.00 0.00 C ATOM 216 C PRO A 18 5.125 -12.252 -5.445 1.00 0.00 C ATOM 217 O PRO A 18 4.961 -11.424 -6.341 1.00 0.00 O ATOM 218 CB PRO A 18 6.391 -11.271 -3.513 1.00 0.00 C ATOM 219 CG PRO A 18 7.066 -10.065 -4.070 1.00 0.00 C ATOM 220 CD PRO A 18 8.118 -10.578 -5.015 1.00 0.00 C ATOM 0 HA PRO A 18 6.516 -13.328 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.368 -11.048 -3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.910 -11.643 -2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.354 -9.424 -4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.513 -9.466 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.265 -9.902 -5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.084 -10.687 -4.521 1.00 0.00 H new ATOM 228 N SER A 19 4.203 -13.150 -5.112 1.00 0.00 N ATOM 229 CA SER A 19 2.917 -13.216 -5.798 1.00 0.00 C ATOM 230 C SER A 19 1.815 -12.593 -4.947 1.00 0.00 C ATOM 231 O SER A 19 1.222 -11.582 -5.322 1.00 0.00 O ATOM 232 CB SER A 19 2.565 -14.668 -6.127 1.00 0.00 C ATOM 233 OG SER A 19 1.336 -14.748 -6.827 1.00 0.00 O ATOM 0 H SER A 19 4.322 -13.842 -4.372 1.00 0.00 H new ATOM 0 HA SER A 19 2.998 -12.650 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.359 -15.111 -6.728 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.501 -15.248 -5.206 1.00 0.00 H new ATOM 0 HG SER A 19 1.134 -15.686 -7.027 1.00 0.00 H new ATOM 239 N ALA A 20 1.546 -13.205 -3.798 1.00 0.00 N ATOM 240 CA ALA A 20 0.517 -12.711 -2.892 1.00 0.00 C ATOM 241 C ALA A 20 0.928 -11.383 -2.265 1.00 0.00 C ATOM 242 O ALA A 20 0.301 -10.346 -2.482 1.00 0.00 O ATOM 243 CB ALA A 20 0.228 -13.741 -1.810 1.00 0.00 C ATOM 0 H ALA A 20 2.027 -14.044 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.391 -12.543 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.542 -13.359 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.118 -14.666 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.138 -13.937 -1.242 1.00 0.00 H new ATOM 249 N PRO A 21 2.007 -11.413 -1.468 1.00 0.00 N ATOM 250 CA PRO A 21 2.526 -10.220 -0.793 1.00 0.00 C ATOM 251 C PRO A 21 3.153 -9.229 -1.769 1.00 0.00 C ATOM 252 O PRO A 21 3.638 -9.597 -2.838 1.00 0.00 O ATOM 253 CB PRO A 21 3.588 -10.782 0.154 1.00 0.00 C ATOM 254 CG PRO A 21 4.019 -12.061 -0.476 1.00 0.00 C ATOM 255 CD PRO A 21 2.802 -12.615 -1.165 1.00 0.00 C ATOM 0 HA PRO A 21 1.738 -9.662 -0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.425 -10.093 0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.181 -10.949 1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.827 -11.892 -1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.394 -12.758 0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.066 -13.161 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.256 -13.307 -0.523 1.00 0.00 H new ATOM 263 N PRO A 22 3.144 -7.942 -1.393 1.00 0.00 N ATOM 264 CA PRO A 22 2.568 -7.492 -0.122 1.00 0.00 C ATOM 265 C PRO A 22 1.048 -7.611 -0.100 1.00 0.00 C ATOM 266 O PRO A 22 0.376 -7.274 -1.075 1.00 0.00 O ATOM 267 CB PRO A 22 2.991 -6.023 -0.041 1.00 0.00 C ATOM 268 CG PRO A 22 3.189 -5.607 -1.458 1.00 0.00 C ATOM 269 CD PRO A 22 3.694 -6.826 -2.180 1.00 0.00 C ATOM 0 HA PRO A 22 2.912 -8.096 0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.227 -5.417 0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.907 -5.906 0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.255 -5.253 -1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.904 -4.788 -1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.347 -6.854 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.783 -6.853 -2.209 1.00 0.00 H new ATOM 277 N GLN A 23 0.512 -8.090 1.018 1.00 0.00 N ATOM 278 CA GLN A 23 -0.929 -8.253 1.165 1.00 0.00 C ATOM 279 C GLN A 23 -1.437 -7.516 2.400 1.00 0.00 C ATOM 280 O GLN A 23 -0.652 -6.978 3.181 1.00 0.00 O ATOM 281 CB GLN A 23 -1.289 -9.737 1.258 1.00 0.00 C ATOM 282 CG GLN A 23 -0.232 -10.577 1.957 1.00 0.00 C ATOM 283 CD GLN A 23 -0.743 -11.950 2.348 1.00 0.00 C ATOM 284 OE1 GLN A 23 -1.950 -12.173 2.441 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.177 -12.879 2.581 1.00 0.00 N ATOM 0 H GLN A 23 1.054 -8.372 1.835 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.409 -7.824 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.234 -9.840 1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.446 -10.128 0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.631 -10.688 1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.111 -10.053 2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.167 -12.650 2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.106 -13.821 2.849 1.00 0.00 H new ATOM 294 N LYS A 24 -2.754 -7.496 2.571 1.00 0.00 N ATOM 295 CA LYS A 24 -3.368 -6.826 3.711 1.00 0.00 C ATOM 296 C LYS A 24 -2.908 -5.374 3.801 1.00 0.00 C ATOM 297 O LYS A 24 -2.849 -4.798 4.888 1.00 0.00 O ATOM 298 CB LYS A 24 -3.024 -7.562 5.007 1.00 0.00 C ATOM 299 CG LYS A 24 -3.391 -9.036 4.985 1.00 0.00 C ATOM 300 CD LYS A 24 -2.980 -9.733 6.271 1.00 0.00 C ATOM 301 CE LYS A 24 -4.050 -9.599 7.344 1.00 0.00 C ATOM 302 NZ LYS A 24 -5.050 -10.700 7.270 1.00 0.00 N ATOM 0 H LYS A 24 -3.418 -7.937 1.934 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.449 -6.838 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.955 -7.465 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.541 -7.080 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.466 -9.142 4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.906 -9.520 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.794 -10.788 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.044 -9.308 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.580 -9.600 8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.557 -8.640 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.762 -10.573 8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.517 -10.683 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.571 -11.614 7.400 1.00 0.00 H new ATOM 316 N VAL A 25 -2.586 -4.788 2.653 1.00 0.00 N ATOM 317 CA VAL A 25 -2.134 -3.402 2.603 1.00 0.00 C ATOM 318 C VAL A 25 -3.193 -2.458 3.161 1.00 0.00 C ATOM 319 O VAL A 25 -4.224 -2.224 2.531 1.00 0.00 O ATOM 320 CB VAL A 25 -1.790 -2.976 1.163 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.347 -1.521 1.128 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.716 -3.883 0.582 1.00 0.00 C ATOM 0 H VAL A 25 -2.629 -5.251 1.745 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.236 -3.339 3.217 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.686 -3.073 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.108 -1.238 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.151 -0.887 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.464 -1.394 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.485 -3.568 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.184 -3.820 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.076 -4.912 0.570 1.00 0.00 H new ATOM 332 N MET A 26 -2.930 -1.919 4.347 1.00 0.00 N ATOM 333 CA MET A 26 -3.861 -0.998 4.990 1.00 0.00 C ATOM 334 C MET A 26 -3.260 0.401 5.089 1.00 0.00 C ATOM 335 O MET A 26 -2.260 0.609 5.777 1.00 0.00 O ATOM 336 CB MET A 26 -4.233 -1.506 6.384 1.00 0.00 C ATOM 337 CG MET A 26 -5.084 -2.765 6.365 1.00 0.00 C ATOM 338 SD MET A 26 -6.784 -2.447 5.855 1.00 0.00 S ATOM 339 CE MET A 26 -7.387 -4.118 5.624 1.00 0.00 C ATOM 0 H MET A 26 -2.081 -2.104 4.882 1.00 0.00 H new ATOM 0 HA MET A 26 -4.762 -0.945 4.379 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.320 -1.703 6.946 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.771 -0.722 6.916 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.636 -3.492 5.688 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.085 -3.213 7.359 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.429 -4.088 5.307 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.790 -4.618 4.862 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.309 -4.666 6.563 1.00 0.00 H new ATOM 349 N CYS A 27 -3.875 1.354 4.399 1.00 0.00 N ATOM 350 CA CYS A 27 -3.400 2.733 4.408 1.00 0.00 C ATOM 351 C CYS A 27 -4.281 3.606 5.296 1.00 0.00 C ATOM 352 O CYS A 27 -5.508 3.513 5.254 1.00 0.00 O ATOM 353 CB CYS A 27 -3.372 3.295 2.986 1.00 0.00 C ATOM 354 SG CYS A 27 -2.312 2.374 1.849 1.00 0.00 S ATOM 0 H CYS A 27 -4.704 1.197 3.826 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.388 2.739 4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.388 3.305 2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.034 4.331 3.023 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.895 2.282 0.691 1.00 0.00 H new ATOM 360 N VAL A 28 -3.647 4.452 6.102 1.00 0.00 N ATOM 361 CA VAL A 28 -4.373 5.341 7.001 1.00 0.00 C ATOM 362 C VAL A 28 -3.777 6.744 6.986 1.00 0.00 C ATOM 363 O VAL A 28 -2.559 6.913 7.038 1.00 0.00 O ATOM 364 CB VAL A 28 -4.365 4.807 8.445 1.00 0.00 C ATOM 365 CG1 VAL A 28 -4.937 3.399 8.497 1.00 0.00 C ATOM 366 CG2 VAL A 28 -2.956 4.841 9.018 1.00 0.00 C ATOM 0 H VAL A 28 -2.632 4.540 6.151 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.402 5.383 6.643 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.996 5.452 9.056 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.923 3.038 9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.963 3.409 8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.335 2.738 7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.969 4.460 10.039 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.300 4.220 8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.588 5.867 9.018 1.00 0.00 H new ATOM 376 N SER A 29 -4.645 7.749 6.914 1.00 0.00 N ATOM 377 CA SER A 29 -4.204 9.139 6.889 1.00 0.00 C ATOM 378 C SER A 29 -3.692 9.571 8.259 1.00 0.00 C ATOM 379 O SER A 29 -4.457 9.668 9.218 1.00 0.00 O ATOM 380 CB SER A 29 -5.351 10.051 6.450 1.00 0.00 C ATOM 381 OG SER A 29 -6.512 9.823 7.229 1.00 0.00 O ATOM 0 H SER A 29 -5.657 7.626 6.872 1.00 0.00 H new ATOM 0 HA SER A 29 -3.387 9.223 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.046 11.093 6.543 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.576 9.877 5.398 1.00 0.00 H new ATOM 0 HG SER A 29 -6.251 9.593 8.145 1.00 0.00 H new ATOM 387 N MET A 30 -2.390 9.829 8.343 1.00 0.00 N ATOM 388 CA MET A 30 -1.775 10.252 9.595 1.00 0.00 C ATOM 389 C MET A 30 -2.295 11.621 10.022 1.00 0.00 C ATOM 390 O MET A 30 -2.561 11.856 11.200 1.00 0.00 O ATOM 391 CB MET A 30 -0.252 10.295 9.451 1.00 0.00 C ATOM 392 CG MET A 30 0.422 8.960 9.726 1.00 0.00 C ATOM 393 SD MET A 30 0.734 8.688 11.481 1.00 0.00 S ATOM 394 CE MET A 30 -0.640 7.621 11.908 1.00 0.00 C ATOM 0 H MET A 30 -1.742 9.752 7.559 1.00 0.00 H new ATOM 0 HA MET A 30 -2.040 9.526 10.364 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.000 10.619 8.441 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.149 11.043 10.135 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.205 8.155 9.343 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.365 8.915 9.182 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.325 6.910 12.672 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.464 8.224 12.291 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.969 7.079 11.021 1.00 0.00 H new ATOM 404 N GLY A 31 -2.438 12.523 9.055 1.00 0.00 N ATOM 405 CA GLY A 31 -2.926 13.857 9.351 1.00 0.00 C ATOM 406 C GLY A 31 -3.727 14.448 8.208 1.00 0.00 C ATOM 407 O GLY A 31 -4.792 13.939 7.860 1.00 0.00 O ATOM 0 H GLY A 31 -2.224 12.353 8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.547 13.823 10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.081 14.509 9.574 1.00 0.00 H new ATOM 411 N SER A 32 -3.216 15.528 7.625 1.00 0.00 N ATOM 412 CA SER A 32 -3.895 16.192 6.519 1.00 0.00 C ATOM 413 C SER A 32 -3.034 16.165 5.259 1.00 0.00 C ATOM 414 O SER A 32 -3.546 16.037 4.146 1.00 0.00 O ATOM 415 CB SER A 32 -4.227 17.638 6.891 1.00 0.00 C ATOM 416 OG SER A 32 -3.063 18.342 7.290 1.00 0.00 O ATOM 0 H SER A 32 -2.335 15.961 7.900 1.00 0.00 H new ATOM 0 HA SER A 32 -4.821 15.654 6.318 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.685 18.140 6.039 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.958 17.650 7.699 1.00 0.00 H new ATOM 0 HG SER A 32 -3.301 19.264 7.521 1.00 0.00 H new ATOM 422 N THR A 33 -1.723 16.285 5.442 1.00 0.00 N ATOM 423 CA THR A 33 -0.791 16.275 4.322 1.00 0.00 C ATOM 424 C THR A 33 0.180 15.104 4.425 1.00 0.00 C ATOM 425 O THR A 33 1.176 15.044 3.703 1.00 0.00 O ATOM 426 CB THR A 33 0.012 17.588 4.247 1.00 0.00 C ATOM 427 OG1 THR A 33 0.746 17.782 5.461 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.911 18.774 4.012 1.00 0.00 C ATOM 0 H THR A 33 -1.283 16.390 6.356 1.00 0.00 H new ATOM 0 HA THR A 33 -1.387 16.170 3.416 1.00 0.00 H new ATOM 0 HB THR A 33 0.706 17.517 3.410 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.255 18.617 5.405 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.322 19.690 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.448 18.637 3.073 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.626 18.847 4.831 1.00 0.00 H new ATOM 436 N THR A 34 -0.116 14.173 5.326 1.00 0.00 N ATOM 437 CA THR A 34 0.731 13.004 5.524 1.00 0.00 C ATOM 438 C THR A 34 -0.103 11.731 5.624 1.00 0.00 C ATOM 439 O THR A 34 -1.176 11.726 6.227 1.00 0.00 O ATOM 440 CB THR A 34 1.591 13.141 6.795 1.00 0.00 C ATOM 441 OG1 THR A 34 2.513 14.227 6.647 1.00 0.00 O ATOM 442 CG2 THR A 34 2.354 11.855 7.074 1.00 0.00 C ATOM 0 H THR A 34 -0.937 14.206 5.931 1.00 0.00 H new ATOM 0 HA THR A 34 1.387 12.939 4.656 1.00 0.00 H new ATOM 0 HB THR A 34 0.928 13.340 7.637 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.055 14.309 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.954 11.976 7.976 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.648 11.036 7.215 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.008 11.630 6.231 1.00 0.00 H new ATOM 450 N VAL A 35 0.398 10.653 5.029 1.00 0.00 N ATOM 451 CA VAL A 35 -0.301 9.374 5.052 1.00 0.00 C ATOM 452 C VAL A 35 0.617 8.256 5.535 1.00 0.00 C ATOM 453 O VAL A 35 1.823 8.278 5.288 1.00 0.00 O ATOM 454 CB VAL A 35 -0.848 9.008 3.660 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.489 7.628 3.684 1.00 0.00 C ATOM 456 CG2 VAL A 35 -1.841 10.058 3.186 1.00 0.00 C ATOM 0 H VAL A 35 1.285 10.640 4.525 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.135 9.481 5.745 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.016 8.983 2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.870 7.386 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.746 6.887 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.311 7.621 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.218 9.784 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.672 10.116 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.346 11.027 3.128 1.00 0.00 H new ATOM 466 N ARG A 36 0.037 7.279 6.225 1.00 0.00 N ATOM 467 CA ARG A 36 0.803 6.151 6.743 1.00 0.00 C ATOM 468 C ARG A 36 0.272 4.833 6.189 1.00 0.00 C ATOM 469 O ARG A 36 -0.799 4.369 6.580 1.00 0.00 O ATOM 470 CB ARG A 36 0.750 6.132 8.272 1.00 0.00 C ATOM 471 CG ARG A 36 1.311 4.859 8.885 1.00 0.00 C ATOM 472 CD ARG A 36 1.540 5.015 10.380 1.00 0.00 C ATOM 473 NE ARG A 36 2.851 5.588 10.675 1.00 0.00 N ATOM 474 CZ ARG A 36 3.999 4.982 10.393 1.00 0.00 C ATOM 475 NH1 ARG A 36 3.998 3.791 9.811 1.00 0.00 N ATOM 476 NH2 ARG A 36 5.151 5.568 10.693 1.00 0.00 N ATOM 0 H ARG A 36 -0.960 7.246 6.438 1.00 0.00 H new ATOM 0 HA ARG A 36 1.838 6.269 6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.306 6.986 8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.284 6.254 8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.622 4.033 8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.251 4.602 8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.763 5.652 10.801 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.452 4.042 10.864 1.00 0.00 H new ATOM 0 HE ARG A 36 2.887 6.504 11.122 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.114 3.338 9.579 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.881 3.328 9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.156 6.485 11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.032 5.102 10.476 1.00 0.00 H new ATOM 490 N VAL A 37 1.029 4.234 5.275 1.00 0.00 N ATOM 491 CA VAL A 37 0.635 2.968 4.667 1.00 0.00 C ATOM 492 C VAL A 37 1.497 1.820 5.180 1.00 0.00 C ATOM 493 O VAL A 37 2.725 1.904 5.180 1.00 0.00 O ATOM 494 CB VAL A 37 0.740 3.027 3.131 1.00 0.00 C ATOM 495 CG1 VAL A 37 2.069 3.636 2.709 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.567 1.639 2.532 1.00 0.00 C ATOM 0 H VAL A 37 1.918 4.605 4.939 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.404 2.792 4.947 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.060 3.664 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.125 3.669 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.149 4.647 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.887 3.028 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.644 1.699 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.345 0.978 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.412 1.244 2.805 1.00 0.00 H new ATOM 506 N SER A 38 0.845 0.748 5.618 1.00 0.00 N ATOM 507 CA SER A 38 1.551 -0.417 6.138 1.00 0.00 C ATOM 508 C SER A 38 0.963 -1.706 5.572 1.00 0.00 C ATOM 509 O SER A 38 -0.234 -1.787 5.298 1.00 0.00 O ATOM 510 CB SER A 38 1.483 -0.440 7.667 1.00 0.00 C ATOM 511 OG SER A 38 0.165 -0.703 8.115 1.00 0.00 O ATOM 0 H SER A 38 -0.171 0.662 5.623 1.00 0.00 H new ATOM 0 HA SER A 38 2.594 -0.347 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.160 -1.202 8.053 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.821 0.517 8.064 1.00 0.00 H new ATOM 0 HG SER A 38 0.149 -0.714 9.095 1.00 0.00 H new ATOM 517 N TRP A 39 1.815 -2.711 5.400 1.00 0.00 N ATOM 518 CA TRP A 39 1.381 -3.997 4.867 1.00 0.00 C ATOM 519 C TRP A 39 1.868 -5.143 5.746 1.00 0.00 C ATOM 520 O TRP A 39 2.792 -4.979 6.542 1.00 0.00 O ATOM 521 CB TRP A 39 1.896 -4.179 3.438 1.00 0.00 C ATOM 522 CG TRP A 39 3.316 -3.737 3.257 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.412 -4.538 3.111 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.793 -2.388 3.206 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.542 -3.769 2.972 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.189 -2.446 3.026 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.178 -1.137 3.293 1.00 0.00 C ATOM 528 CZ2 TRP A 39 5.976 -1.302 2.933 1.00 0.00 C ATOM 529 CZ3 TRP A 39 3.960 -0.001 3.201 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.347 -0.090 3.021 1.00 0.00 C ATOM 0 H TRP A 39 2.809 -2.660 5.622 1.00 0.00 H new ATOM 0 HA TRP A 39 0.291 -4.010 4.858 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.812 -5.230 3.160 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.258 -3.617 2.755 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.393 -5.618 3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.490 -4.125 2.849 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.110 -1.059 3.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.045 -1.368 2.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.495 0.971 3.269 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.931 0.816 2.950 1.00 0.00 H new ATOM 541 N VAL A 40 1.240 -6.306 5.597 1.00 0.00 N ATOM 542 CA VAL A 40 1.611 -7.480 6.377 1.00 0.00 C ATOM 543 C VAL A 40 2.853 -8.151 5.803 1.00 0.00 C ATOM 544 O VAL A 40 2.877 -8.592 4.654 1.00 0.00 O ATOM 545 CB VAL A 40 0.463 -8.506 6.427 1.00 0.00 C ATOM 546 CG1 VAL A 40 0.347 -9.243 5.101 1.00 0.00 C ATOM 547 CG2 VAL A 40 0.673 -9.484 7.573 1.00 0.00 C ATOM 0 H VAL A 40 0.472 -6.459 4.943 1.00 0.00 H new ATOM 0 HA VAL A 40 1.824 -7.134 7.389 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.471 -7.972 6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.469 -9.963 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.147 -8.528 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.280 -9.767 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.147 -10.202 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.615 -10.014 7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.702 -8.938 8.516 1.00 0.00 H new ATOM 656 N ASN A 48 8.400 -16.806 -2.385 1.00 0.00 N ATOM 657 CA ASN A 48 9.198 -17.665 -3.253 1.00 0.00 C ATOM 658 C ASN A 48 10.644 -17.182 -3.315 1.00 0.00 C ATOM 659 O ASN A 48 11.576 -17.984 -3.363 1.00 0.00 O ATOM 660 CB ASN A 48 8.599 -17.701 -4.660 1.00 0.00 C ATOM 661 CG ASN A 48 7.083 -17.656 -4.645 1.00 0.00 C ATOM 662 OD1 ASN A 48 6.424 -18.670 -4.415 1.00 0.00 O ATOM 663 ND2 ASN A 48 6.524 -16.478 -4.891 1.00 0.00 N ATOM 0 HA ASN A 48 9.188 -18.672 -2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.979 -16.857 -5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.928 -18.607 -5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.508 -16.386 -4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.110 -15.664 -5.076 1.00 0.00 H new ATOM 670 N GLY A 49 10.823 -15.865 -3.314 1.00 0.00 N ATOM 671 CA GLY A 49 12.157 -15.297 -3.370 1.00 0.00 C ATOM 672 C GLY A 49 12.514 -14.528 -2.113 1.00 0.00 C ATOM 673 O GLY A 49 11.992 -14.810 -1.035 1.00 0.00 O ATOM 0 H GLY A 49 10.067 -15.181 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.883 -16.096 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.230 -14.633 -4.231 1.00 0.00 H new ATOM 677 N VAL A 50 13.408 -13.554 -2.251 1.00 0.00 N ATOM 678 CA VAL A 50 13.834 -12.742 -1.117 1.00 0.00 C ATOM 679 C VAL A 50 13.574 -11.262 -1.373 1.00 0.00 C ATOM 680 O VAL A 50 14.003 -10.712 -2.388 1.00 0.00 O ATOM 681 CB VAL A 50 15.331 -12.944 -0.814 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.768 -12.049 0.336 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.618 -14.405 -0.503 1.00 0.00 C ATOM 0 H VAL A 50 13.851 -13.308 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 50 13.249 -13.067 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 50 15.905 -12.665 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.828 -12.205 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.599 -11.006 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.191 -12.294 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.680 -14.530 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.036 -14.713 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.344 -15.020 -1.360 1.00 0.00 H new ATOM 693 N ILE A 51 12.869 -10.622 -0.446 1.00 0.00 N ATOM 694 CA ILE A 51 12.553 -9.205 -0.570 1.00 0.00 C ATOM 695 C ILE A 51 13.802 -8.346 -0.405 1.00 0.00 C ATOM 696 O ILE A 51 14.503 -8.437 0.603 1.00 0.00 O ATOM 697 CB ILE A 51 11.503 -8.768 0.469 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.320 -9.738 0.469 1.00 0.00 C ATOM 699 CG2 ILE A 51 11.032 -7.350 0.183 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.708 -9.945 -0.899 1.00 0.00 C ATOM 0 H ILE A 51 12.506 -11.063 0.399 1.00 0.00 H new ATOM 0 HA ILE A 51 12.145 -9.060 -1.570 1.00 0.00 H new ATOM 0 HB ILE A 51 11.963 -8.784 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.650 -10.701 0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.554 -9.364 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.290 -7.056 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.881 -6.668 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.586 -7.308 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.875 -10.644 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.347 -8.991 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.460 -10.349 -1.577 1.00 0.00 H new ATOM 712 N THR A 52 14.076 -7.511 -1.403 1.00 0.00 N ATOM 713 CA THR A 52 15.240 -6.635 -1.369 1.00 0.00 C ATOM 714 C THR A 52 14.859 -5.232 -0.911 1.00 0.00 C ATOM 715 O THR A 52 15.635 -4.560 -0.230 1.00 0.00 O ATOM 716 CB THR A 52 15.917 -6.546 -2.750 1.00 0.00 C ATOM 717 OG1 THR A 52 15.046 -5.895 -3.681 1.00 0.00 O ATOM 718 CG2 THR A 52 16.276 -7.931 -3.267 1.00 0.00 C ATOM 0 H THR A 52 13.507 -7.423 -2.245 1.00 0.00 H new ATOM 0 HA THR A 52 15.941 -7.069 -0.656 1.00 0.00 H new ATOM 0 HB THR A 52 16.834 -5.966 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.145 -6.273 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.753 -7.843 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.962 -8.413 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.371 -8.531 -3.358 1.00 0.00 H new ATOM 726 N GLN A 53 13.662 -4.796 -1.287 1.00 0.00 N ATOM 727 CA GLN A 53 13.179 -3.471 -0.914 1.00 0.00 C ATOM 728 C GLN A 53 11.705 -3.309 -1.269 1.00 0.00 C ATOM 729 O GLN A 53 11.137 -4.126 -1.995 1.00 0.00 O ATOM 730 CB GLN A 53 14.006 -2.389 -1.611 1.00 0.00 C ATOM 731 CG GLN A 53 14.400 -2.748 -3.035 1.00 0.00 C ATOM 732 CD GLN A 53 14.946 -1.562 -3.805 1.00 0.00 C ATOM 733 OE1 GLN A 53 16.152 -1.314 -3.815 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.058 -0.821 -4.458 1.00 0.00 N ATOM 0 H GLN A 53 13.008 -5.340 -1.850 1.00 0.00 H new ATOM 0 HA GLN A 53 13.288 -3.363 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.436 -1.460 -1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.909 -2.202 -1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.150 -3.538 -3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.532 -3.148 -3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.068 -1.063 -4.423 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.366 -0.010 -4.995 1.00 0.00 H new ATOM 743 N TYR A 54 11.090 -2.252 -0.751 1.00 0.00 N ATOM 744 CA TYR A 54 9.681 -1.984 -1.011 1.00 0.00 C ATOM 745 C TYR A 54 9.498 -0.622 -1.675 1.00 0.00 C ATOM 746 O TYR A 54 10.164 0.349 -1.318 1.00 0.00 O ATOM 747 CB TYR A 54 8.881 -2.040 0.292 1.00 0.00 C ATOM 748 CG TYR A 54 8.597 -3.447 0.767 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.522 -4.168 0.262 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.402 -4.054 1.723 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.258 -5.454 0.694 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.146 -5.340 2.160 1.00 0.00 C ATOM 753 CZ TYR A 54 8.073 -6.035 1.642 1.00 0.00 C ATOM 754 OH TYR A 54 7.814 -7.315 2.076 1.00 0.00 O ATOM 0 H TYR A 54 11.545 -1.567 -0.148 1.00 0.00 H new ATOM 0 HA TYR A 54 9.311 -2.752 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.429 -1.507 1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.936 -1.515 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.882 -3.716 -0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.242 -3.512 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.418 -6.001 0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.782 -5.798 2.903 1.00 0.00 H new ATOM 0 HH TYR A 54 8.482 -7.576 2.744 1.00 0.00 H new ATOM 764 N SER A 55 8.589 -0.560 -2.643 1.00 0.00 N ATOM 765 CA SER A 55 8.319 0.680 -3.360 1.00 0.00 C ATOM 766 C SER A 55 6.888 1.148 -3.116 1.00 0.00 C ATOM 767 O SER A 55 5.972 0.337 -2.979 1.00 0.00 O ATOM 768 CB SER A 55 8.557 0.490 -4.859 1.00 0.00 C ATOM 769 OG SER A 55 8.960 1.704 -5.469 1.00 0.00 O ATOM 0 H SER A 55 8.027 -1.355 -2.949 1.00 0.00 H new ATOM 0 HA SER A 55 9.001 1.443 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.322 -0.271 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.645 0.127 -5.332 1.00 0.00 H new ATOM 0 HG SER A 55 9.107 1.556 -6.426 1.00 0.00 H new ATOM 775 N VAL A 56 6.703 2.464 -3.063 1.00 0.00 N ATOM 776 CA VAL A 56 5.383 3.041 -2.837 1.00 0.00 C ATOM 777 C VAL A 56 5.067 4.112 -3.875 1.00 0.00 C ATOM 778 O VAL A 56 5.970 4.727 -4.442 1.00 0.00 O ATOM 779 CB VAL A 56 5.274 3.658 -1.430 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.816 3.813 -1.026 1.00 0.00 C ATOM 781 CG2 VAL A 56 6.029 2.811 -0.417 1.00 0.00 C ATOM 0 H VAL A 56 7.450 3.150 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 56 4.662 2.228 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 56 5.728 4.649 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.759 4.250 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.309 4.464 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.334 2.835 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.941 3.262 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.607 1.806 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.080 2.757 -0.699 1.00 0.00 H new ATOM 791 N ALA A 57 3.779 4.330 -4.119 1.00 0.00 N ATOM 792 CA ALA A 57 3.343 5.328 -5.088 1.00 0.00 C ATOM 793 C ALA A 57 1.960 5.867 -4.736 1.00 0.00 C ATOM 794 O ALA A 57 1.019 5.101 -4.529 1.00 0.00 O ATOM 795 CB ALA A 57 3.340 4.737 -6.490 1.00 0.00 C ATOM 0 H ALA A 57 3.019 3.829 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 57 4.047 6.159 -5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.012 5.493 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.346 4.407 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.659 3.886 -6.525 1.00 0.00 H new ATOM 801 N TYR A 58 1.845 7.189 -4.670 1.00 0.00 N ATOM 802 CA TYR A 58 0.578 7.830 -4.340 1.00 0.00 C ATOM 803 C TYR A 58 0.138 8.774 -5.456 1.00 0.00 C ATOM 804 O TYR A 58 0.968 9.386 -6.127 1.00 0.00 O ATOM 805 CB TYR A 58 0.698 8.599 -3.024 1.00 0.00 C ATOM 806 CG TYR A 58 1.922 9.484 -2.950 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.174 8.950 -2.669 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.827 10.854 -3.160 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.295 9.754 -2.599 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.942 11.666 -3.094 1.00 0.00 C ATOM 811 CZ TYR A 58 4.174 11.112 -2.813 1.00 0.00 C ATOM 812 OH TYR A 58 5.287 11.917 -2.745 1.00 0.00 O ATOM 0 H TYR A 58 2.614 7.837 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.176 7.051 -4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.193 9.213 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.723 7.888 -2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.272 7.887 -2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.864 11.292 -3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.260 9.323 -2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.850 12.729 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 58 5.374 12.426 -3.578 1.00 0.00 H new ATOM 822 N GLU A 59 -1.173 8.885 -5.645 1.00 0.00 N ATOM 823 CA GLU A 59 -1.723 9.754 -6.679 1.00 0.00 C ATOM 824 C GLU A 59 -3.148 10.177 -6.332 1.00 0.00 C ATOM 825 O GLU A 59 -3.989 9.345 -5.996 1.00 0.00 O ATOM 826 CB GLU A 59 -1.706 9.046 -8.035 1.00 0.00 C ATOM 827 CG GLU A 59 -1.984 9.970 -9.208 1.00 0.00 C ATOM 828 CD GLU A 59 -2.446 9.222 -10.443 1.00 0.00 C ATOM 829 OE1 GLU A 59 -3.484 8.532 -10.365 1.00 0.00 O ATOM 830 OE2 GLU A 59 -1.770 9.325 -11.488 1.00 0.00 O ATOM 0 H GLU A 59 -1.873 8.385 -5.097 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.100 10.647 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.733 8.575 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.449 8.248 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.745 10.696 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.081 10.532 -9.445 1.00 0.00 H new ATOM 837 N ALA A 60 -3.409 11.478 -6.415 1.00 0.00 N ATOM 838 CA ALA A 60 -4.731 12.012 -6.112 1.00 0.00 C ATOM 839 C ALA A 60 -5.709 11.735 -7.249 1.00 0.00 C ATOM 840 O ALA A 60 -5.472 12.123 -8.393 1.00 0.00 O ATOM 841 CB ALA A 60 -4.647 13.506 -5.838 1.00 0.00 C ATOM 0 H ALA A 60 -2.723 12.181 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.102 11.510 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.642 13.891 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.988 13.684 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.251 14.015 -6.716 1.00 0.00 H new ATOM 847 N VAL A 61 -6.809 11.063 -6.927 1.00 0.00 N ATOM 848 CA VAL A 61 -7.824 10.735 -7.921 1.00 0.00 C ATOM 849 C VAL A 61 -8.846 11.858 -8.055 1.00 0.00 C ATOM 850 O VAL A 61 -9.294 12.176 -9.157 1.00 0.00 O ATOM 851 CB VAL A 61 -8.557 9.428 -7.565 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.285 9.569 -6.237 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.524 9.040 -8.674 1.00 0.00 C ATOM 0 H VAL A 61 -7.020 10.735 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.306 10.605 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.818 8.633 -7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.797 8.636 -6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.566 9.796 -5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.015 10.376 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.033 8.114 -8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.260 9.833 -8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.973 8.895 -9.603 1.00 0.00 H new ATOM 863 N ASP A 62 -9.210 12.456 -6.926 1.00 0.00 N ATOM 864 CA ASP A 62 -10.179 13.546 -6.917 1.00 0.00 C ATOM 865 C ASP A 62 -9.481 14.891 -6.747 1.00 0.00 C ATOM 866 O ASP A 62 -10.127 15.913 -6.517 1.00 0.00 O ATOM 867 CB ASP A 62 -11.198 13.341 -5.795 1.00 0.00 C ATOM 868 CG ASP A 62 -12.534 13.990 -6.100 1.00 0.00 C ATOM 869 OD1 ASP A 62 -12.974 13.921 -7.267 1.00 0.00 O ATOM 870 OD2 ASP A 62 -13.138 14.569 -5.173 1.00 0.00 O ATOM 0 H ASP A 62 -8.849 12.205 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.699 13.545 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.345 12.273 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.801 13.753 -4.867 1.00 0.00 H new ATOM 875 N GLY A 63 -8.157 14.884 -6.863 1.00 0.00 N ATOM 876 CA GLY A 63 -7.393 16.110 -6.718 1.00 0.00 C ATOM 877 C GLY A 63 -7.192 16.827 -8.038 1.00 0.00 C ATOM 878 O GLY A 63 -7.618 16.342 -9.086 1.00 0.00 O ATOM 0 H GLY A 63 -7.599 14.052 -7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.906 16.774 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.421 15.879 -6.282 1.00 0.00 H new ATOM 882 N GLU A 64 -6.543 17.986 -7.988 1.00 0.00 N ATOM 883 CA GLU A 64 -6.289 18.772 -9.190 1.00 0.00 C ATOM 884 C GLU A 64 -5.143 18.173 -10.000 1.00 0.00 C ATOM 885 O GLU A 64 -5.225 18.061 -11.223 1.00 0.00 O ATOM 886 CB GLU A 64 -5.964 20.220 -8.820 1.00 0.00 C ATOM 887 CG GLU A 64 -7.046 20.894 -7.992 1.00 0.00 C ATOM 888 CD GLU A 64 -6.618 22.251 -7.466 1.00 0.00 C ATOM 889 OE1 GLU A 64 -5.822 22.928 -8.149 1.00 0.00 O ATOM 890 OE2 GLU A 64 -7.080 22.634 -6.371 1.00 0.00 O ATOM 0 H GLU A 64 -6.184 18.401 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.191 18.755 -9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.026 20.243 -8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.807 20.793 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.943 21.011 -8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.310 20.250 -7.153 1.00 0.00 H new ATOM 897 N ASP A 65 -4.075 17.790 -9.308 1.00 0.00 N ATOM 898 CA ASP A 65 -2.912 17.202 -9.962 1.00 0.00 C ATOM 899 C ASP A 65 -2.937 15.681 -9.852 1.00 0.00 C ATOM 900 O ASP A 65 -2.893 15.127 -8.753 1.00 0.00 O ATOM 901 CB ASP A 65 -1.623 17.749 -9.345 1.00 0.00 C ATOM 902 CG ASP A 65 -0.381 17.194 -10.014 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.281 17.290 -11.255 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.493 16.665 -9.295 1.00 0.00 O ATOM 0 H ASP A 65 -3.991 17.876 -8.295 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.944 17.472 -11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.619 18.836 -9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.600 17.505 -8.283 1.00 0.00 H new ATOM 909 N ARG A 66 -3.010 15.011 -10.997 1.00 0.00 N ATOM 910 CA ARG A 66 -3.044 13.554 -11.029 1.00 0.00 C ATOM 911 C ARG A 66 -1.633 12.978 -11.114 1.00 0.00 C ATOM 912 O ARG A 66 -1.435 11.859 -11.584 1.00 0.00 O ATOM 913 CB ARG A 66 -3.877 13.068 -12.217 1.00 0.00 C ATOM 914 CG ARG A 66 -5.352 12.893 -11.895 1.00 0.00 C ATOM 915 CD ARG A 66 -6.018 14.226 -11.595 1.00 0.00 C ATOM 916 NE ARG A 66 -7.460 14.087 -11.404 1.00 0.00 N ATOM 917 CZ ARG A 66 -8.311 13.838 -12.393 1.00 0.00 C ATOM 918 NH1 ARG A 66 -7.868 13.700 -13.635 1.00 0.00 N ATOM 919 NH2 ARG A 66 -9.609 13.725 -12.140 1.00 0.00 N ATOM 0 H ARG A 66 -3.047 15.454 -11.915 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.504 13.206 -10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.775 13.779 -13.037 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.475 12.117 -12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.855 12.415 -12.736 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.462 12.229 -11.038 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.574 14.660 -10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.826 14.920 -12.414 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.833 14.187 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.871 13.785 -13.833 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.524 13.509 -14.392 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.954 13.829 -11.186 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.262 13.534 -12.900 1.00 0.00 H new ATOM 933 N GLY A 67 -0.655 13.754 -10.655 1.00 0.00 N ATOM 934 CA GLY A 67 0.725 13.305 -10.689 1.00 0.00 C ATOM 935 C GLY A 67 1.003 12.210 -9.678 1.00 0.00 C ATOM 936 O GLY A 67 0.985 12.452 -8.471 1.00 0.00 O ATOM 0 H GLY A 67 -0.794 14.684 -10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.961 12.941 -11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.384 14.151 -10.494 1.00 0.00 H new ATOM 940 N ARG A 68 1.260 11.003 -10.171 1.00 0.00 N ATOM 941 CA ARG A 68 1.540 9.867 -9.301 1.00 0.00 C ATOM 942 C ARG A 68 2.997 9.876 -8.847 1.00 0.00 C ATOM 943 O ARG A 68 3.909 9.669 -9.648 1.00 0.00 O ATOM 944 CB ARG A 68 1.228 8.555 -10.024 1.00 0.00 C ATOM 945 CG ARG A 68 1.602 7.316 -9.227 1.00 0.00 C ATOM 946 CD ARG A 68 1.777 6.105 -10.129 1.00 0.00 C ATOM 947 NE ARG A 68 0.516 5.690 -10.739 1.00 0.00 N ATOM 948 CZ ARG A 68 0.342 4.521 -11.346 1.00 0.00 C ATOM 949 NH1 ARG A 68 1.343 3.655 -11.423 1.00 0.00 N ATOM 950 NH2 ARG A 68 -0.835 4.216 -11.877 1.00 0.00 N ATOM 0 H ARG A 68 1.280 10.787 -11.168 1.00 0.00 H new ATOM 0 HA ARG A 68 0.903 9.950 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.163 8.521 -10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.760 8.539 -10.975 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.526 7.500 -8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.828 7.111 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.499 6.337 -10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.189 5.278 -9.550 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.274 6.333 -10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.249 3.886 -11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.207 2.758 -11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.608 4.879 -11.820 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.967 3.318 -12.343 1.00 0.00 H new ATOM 964 N HIS A 69 3.208 10.117 -7.557 1.00 0.00 N ATOM 965 CA HIS A 69 4.554 10.153 -6.997 1.00 0.00 C ATOM 966 C HIS A 69 5.023 8.751 -6.620 1.00 0.00 C ATOM 967 O HIS A 69 4.215 7.835 -6.468 1.00 0.00 O ATOM 968 CB HIS A 69 4.593 11.064 -5.769 1.00 0.00 C ATOM 969 CG HIS A 69 4.709 12.519 -6.106 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.787 13.294 -5.733 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.875 13.339 -6.787 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.610 14.529 -6.169 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.457 14.582 -6.812 1.00 0.00 N ATOM 0 H HIS A 69 2.465 10.290 -6.880 1.00 0.00 H new ATOM 0 HA HIS A 69 5.227 10.550 -7.757 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.689 10.907 -5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.436 10.777 -5.140 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.928 13.066 -7.229 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.292 15.354 -6.024 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.063 15.412 -7.255 1.00 0.00 H new ATOM 982 N VAL A 70 6.335 8.591 -6.472 1.00 0.00 N ATOM 983 CA VAL A 70 6.912 7.301 -6.113 1.00 0.00 C ATOM 984 C VAL A 70 8.002 7.461 -5.060 1.00 0.00 C ATOM 985 O VAL A 70 8.768 8.425 -5.085 1.00 0.00 O ATOM 986 CB VAL A 70 7.502 6.589 -7.344 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.078 5.236 -6.953 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.446 6.435 -8.427 1.00 0.00 C ATOM 0 H VAL A 70 7.018 9.339 -6.595 1.00 0.00 H new ATOM 0 HA VAL A 70 6.104 6.694 -5.705 1.00 0.00 H new ATOM 0 HB VAL A 70 8.312 7.200 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.490 4.747 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.867 5.376 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.290 4.614 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.880 5.930 -9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.614 5.846 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.086 7.419 -8.726 1.00 0.00 H new ATOM 998 N VAL A 71 8.068 6.510 -4.134 1.00 0.00 N ATOM 999 CA VAL A 71 9.066 6.543 -3.072 1.00 0.00 C ATOM 1000 C VAL A 71 10.202 5.567 -3.355 1.00 0.00 C ATOM 1001 O VAL A 71 9.967 4.404 -3.683 1.00 0.00 O ATOM 1002 CB VAL A 71 8.443 6.207 -1.704 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.503 6.230 -0.614 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.313 7.173 -1.382 1.00 0.00 C ATOM 0 H VAL A 71 7.441 5.706 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 71 9.462 7.558 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 71 8.027 5.200 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.044 5.990 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.274 5.494 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.952 7.222 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.884 6.921 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.702 8.191 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.542 7.100 -2.149 1.00 0.00 H new ATOM 1014 N ASP A 72 11.434 6.047 -3.225 1.00 0.00 N ATOM 1015 CA ASP A 72 12.608 5.216 -3.464 1.00 0.00 C ATOM 1016 C ASP A 72 13.533 5.219 -2.251 1.00 0.00 C ATOM 1017 O ASP A 72 13.593 6.196 -1.506 1.00 0.00 O ATOM 1018 CB ASP A 72 13.364 5.708 -4.699 1.00 0.00 C ATOM 1019 CG ASP A 72 13.541 7.214 -4.707 1.00 0.00 C ATOM 1020 OD1 ASP A 72 13.988 7.764 -3.679 1.00 0.00 O ATOM 1021 OD2 ASP A 72 13.232 7.842 -5.742 1.00 0.00 O ATOM 0 H ASP A 72 11.645 7.008 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 72 12.270 4.194 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.343 5.230 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.826 5.403 -5.596 1.00 0.00 H new ATOM 1026 N GLY A 73 14.252 4.117 -2.059 1.00 0.00 N ATOM 1027 CA GLY A 73 15.163 4.014 -0.934 1.00 0.00 C ATOM 1028 C GLY A 73 14.457 3.629 0.351 1.00 0.00 C ATOM 1029 O GLY A 73 14.613 4.294 1.376 1.00 0.00 O ATOM 0 H GLY A 73 14.220 3.295 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.931 3.274 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.671 4.968 -0.794 1.00 0.00 H new ATOM 1033 N ILE A 74 13.677 2.554 0.297 1.00 0.00 N ATOM 1034 CA ILE A 74 12.944 2.083 1.465 1.00 0.00 C ATOM 1035 C ILE A 74 13.521 0.771 1.984 1.00 0.00 C ATOM 1036 O ILE A 74 13.598 -0.217 1.253 1.00 0.00 O ATOM 1037 CB ILE A 74 11.450 1.885 1.150 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.806 3.219 0.766 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.734 1.269 2.343 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.343 3.101 0.399 1.00 0.00 C ATOM 0 H ILE A 74 13.537 1.993 -0.543 1.00 0.00 H new ATOM 0 HA ILE A 74 13.046 2.851 2.232 1.00 0.00 H new ATOM 0 HB ILE A 74 11.360 1.203 0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.908 3.915 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.350 3.647 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.679 1.135 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.179 0.301 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.830 1.928 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.953 4.085 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.235 2.430 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.786 2.703 1.247 1.00 0.00 H new ATOM 1052 N SER A 75 13.924 0.767 3.250 1.00 0.00 N ATOM 1053 CA SER A 75 14.496 -0.424 3.867 1.00 0.00 C ATOM 1054 C SER A 75 13.543 -1.609 3.747 1.00 0.00 C ATOM 1055 O SER A 75 12.355 -1.497 4.050 1.00 0.00 O ATOM 1056 CB SER A 75 14.815 -0.159 5.339 1.00 0.00 C ATOM 1057 OG SER A 75 15.904 -0.953 5.776 1.00 0.00 O ATOM 0 H SER A 75 13.865 1.575 3.869 1.00 0.00 H new ATOM 0 HA SER A 75 15.419 -0.667 3.341 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.051 0.896 5.479 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.937 -0.373 5.949 1.00 0.00 H new ATOM 0 HG SER A 75 16.089 -0.764 6.720 1.00 0.00 H new ATOM 1063 N ARG A 76 14.073 -2.744 3.304 1.00 0.00 N ATOM 1064 CA ARG A 76 13.270 -3.951 3.142 1.00 0.00 C ATOM 1065 C ARG A 76 12.633 -4.361 4.467 1.00 0.00 C ATOM 1066 O ARG A 76 11.729 -5.195 4.499 1.00 0.00 O ATOM 1067 CB ARG A 76 14.131 -5.094 2.601 1.00 0.00 C ATOM 1068 CG ARG A 76 15.368 -5.373 3.439 1.00 0.00 C ATOM 1069 CD ARG A 76 16.139 -6.573 2.911 1.00 0.00 C ATOM 1070 NE ARG A 76 16.882 -7.254 3.967 1.00 0.00 N ATOM 1071 CZ ARG A 76 18.033 -6.809 4.460 1.00 0.00 C ATOM 1072 NH1 ARG A 76 18.568 -5.689 3.995 1.00 0.00 N ATOM 1073 NH2 ARG A 76 18.649 -7.485 5.421 1.00 0.00 N ATOM 0 H ARG A 76 15.055 -2.854 3.051 1.00 0.00 H new ATOM 0 HA ARG A 76 12.475 -3.736 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.526 -5.999 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.438 -4.856 1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.014 -4.495 3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.075 -5.554 4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.445 -7.274 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.830 -6.246 2.134 1.00 0.00 H new ATOM 0 HE ARG A 76 16.497 -8.119 4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.096 -5.166 3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.452 -5.350 4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.239 -8.347 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.532 -7.143 5.799 1.00 0.00 H new ATOM 1087 N GLU A 77 13.113 -3.770 5.557 1.00 0.00 N ATOM 1088 CA GLU A 77 12.592 -4.077 6.883 1.00 0.00 C ATOM 1089 C GLU A 77 11.486 -3.100 7.272 1.00 0.00 C ATOM 1090 O GLU A 77 11.003 -3.111 8.405 1.00 0.00 O ATOM 1091 CB GLU A 77 13.716 -4.031 7.921 1.00 0.00 C ATOM 1092 CG GLU A 77 14.607 -5.261 7.907 1.00 0.00 C ATOM 1093 CD GLU A 77 13.853 -6.532 8.249 1.00 0.00 C ATOM 1094 OE1 GLU A 77 13.284 -7.151 7.326 1.00 0.00 O ATOM 1095 OE2 GLU A 77 13.832 -6.906 9.440 1.00 0.00 O ATOM 0 H GLU A 77 13.861 -3.077 5.547 1.00 0.00 H new ATOM 0 HA GLU A 77 12.173 -5.083 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.328 -3.147 7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.279 -3.921 8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.060 -5.366 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.421 -5.123 8.619 1.00 0.00 H new ATOM 1102 N HIS A 78 11.090 -2.256 6.325 1.00 0.00 N ATOM 1103 CA HIS A 78 10.041 -1.272 6.567 1.00 0.00 C ATOM 1104 C HIS A 78 8.747 -1.672 5.865 1.00 0.00 C ATOM 1105 O HIS A 78 8.545 -1.361 4.691 1.00 0.00 O ATOM 1106 CB HIS A 78 10.488 0.110 6.089 1.00 0.00 C ATOM 1107 CG HIS A 78 11.417 0.801 7.039 1.00 0.00 C ATOM 1108 ND1 HIS A 78 11.206 0.845 8.401 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.569 1.476 6.816 1.00 0.00 C ATOM 1110 CE1 HIS A 78 12.186 1.519 8.975 1.00 0.00 C ATOM 1111 NE2 HIS A 78 13.027 1.913 8.035 1.00 0.00 N ATOM 0 H HIS A 78 11.480 -2.234 5.383 1.00 0.00 H new ATOM 0 HA HIS A 78 9.854 -1.234 7.640 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.980 0.009 5.122 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.608 0.735 5.936 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.040 1.640 5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.283 1.715 10.033 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.878 2.454 8.190 1.00 0.00 H new ATOM 1120 N SER A 79 7.876 -2.366 6.590 1.00 0.00 N ATOM 1121 CA SER A 79 6.604 -2.813 6.035 1.00 0.00 C ATOM 1122 C SER A 79 5.598 -1.666 5.988 1.00 0.00 C ATOM 1123 O SER A 79 4.417 -1.873 5.708 1.00 0.00 O ATOM 1124 CB SER A 79 6.039 -3.968 6.864 1.00 0.00 C ATOM 1125 OG SER A 79 5.827 -3.574 8.209 1.00 0.00 O ATOM 0 H SER A 79 8.028 -2.631 7.563 1.00 0.00 H new ATOM 0 HA SER A 79 6.782 -3.159 5.017 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.099 -4.307 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.727 -4.813 6.833 1.00 0.00 H new ATOM 0 HG SER A 79 5.464 -4.329 8.718 1.00 0.00 H new ATOM 1131 N SER A 80 6.076 -0.457 6.264 1.00 0.00 N ATOM 1132 CA SER A 80 5.219 0.723 6.257 1.00 0.00 C ATOM 1133 C SER A 80 6.006 1.963 5.844 1.00 0.00 C ATOM 1134 O SER A 80 7.237 1.967 5.868 1.00 0.00 O ATOM 1135 CB SER A 80 4.598 0.936 7.639 1.00 0.00 C ATOM 1136 OG SER A 80 5.599 1.109 8.627 1.00 0.00 O ATOM 0 H SER A 80 7.051 -0.269 6.495 1.00 0.00 H new ATOM 0 HA SER A 80 4.423 0.560 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.948 1.811 7.618 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.973 0.081 7.896 1.00 0.00 H new ATOM 0 HG SER A 80 5.176 1.245 9.501 1.00 0.00 H new ATOM 1142 N TRP A 81 5.287 3.013 5.465 1.00 0.00 N ATOM 1143 CA TRP A 81 5.917 4.260 5.046 1.00 0.00 C ATOM 1144 C TRP A 81 5.011 5.452 5.336 1.00 0.00 C ATOM 1145 O TRP A 81 3.786 5.342 5.276 1.00 0.00 O ATOM 1146 CB TRP A 81 6.252 4.210 3.555 1.00 0.00 C ATOM 1147 CG TRP A 81 7.107 5.354 3.099 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.689 6.482 2.453 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.524 5.479 3.254 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.763 7.301 2.197 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.899 6.709 2.679 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.513 4.673 3.825 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.220 7.148 2.658 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.824 5.110 3.803 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.168 6.339 3.224 1.00 0.00 C ATOM 0 H TRP A 81 4.267 3.026 5.439 1.00 0.00 H new ATOM 0 HA TRP A 81 6.839 4.381 5.615 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.764 3.273 3.336 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.325 4.208 2.982 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.666 6.699 2.183 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.720 8.204 1.724 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.257 3.725 4.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.487 8.094 2.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.596 4.494 4.239 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.201 6.654 3.224 1.00 0.00 H new ATOM 1166 N ASP A 82 5.620 6.589 5.652 1.00 0.00 N ATOM 1167 CA ASP A 82 4.868 7.802 5.950 1.00 0.00 C ATOM 1168 C ASP A 82 5.008 8.820 4.823 1.00 0.00 C ATOM 1169 O ASP A 82 6.005 9.538 4.740 1.00 0.00 O ATOM 1170 CB ASP A 82 5.347 8.414 7.268 1.00 0.00 C ATOM 1171 CG ASP A 82 6.830 8.197 7.501 1.00 0.00 C ATOM 1172 OD1 ASP A 82 7.640 8.915 6.878 1.00 0.00 O ATOM 1173 OD2 ASP A 82 7.179 7.311 8.308 1.00 0.00 O ATOM 0 H ASP A 82 6.633 6.696 5.708 1.00 0.00 H new ATOM 0 HA ASP A 82 3.816 7.533 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.135 9.483 7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.785 7.978 8.094 1.00 0.00 H new ATOM 1178 N LEU A 83 4.003 8.876 3.955 1.00 0.00 N ATOM 1179 CA LEU A 83 4.014 9.805 2.831 1.00 0.00 C ATOM 1180 C LEU A 83 3.813 11.240 3.308 1.00 0.00 C ATOM 1181 O LEU A 83 3.014 11.500 4.207 1.00 0.00 O ATOM 1182 CB LEU A 83 2.923 9.432 1.825 1.00 0.00 C ATOM 1183 CG LEU A 83 2.951 7.994 1.307 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.675 7.677 0.543 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.172 7.767 0.428 1.00 0.00 C ATOM 0 H LEU A 83 3.171 8.289 4.009 1.00 0.00 H new ATOM 0 HA LEU A 83 4.987 9.737 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.953 9.611 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.998 10.106 0.972 1.00 0.00 H new ATOM 0 HG LEU A 83 3.014 7.321 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.713 6.649 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.816 7.798 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.580 8.356 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.175 6.738 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.140 8.448 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.077 7.952 1.007 1.00 0.00 H new ATOM 1197 N VAL A 84 4.542 12.169 2.697 1.00 0.00 N ATOM 1198 CA VAL A 84 4.441 13.578 3.057 1.00 0.00 C ATOM 1199 C VAL A 84 4.436 14.463 1.816 1.00 0.00 C ATOM 1200 O VAL A 84 5.284 14.321 0.936 1.00 0.00 O ATOM 1201 CB VAL A 84 5.601 14.007 3.975 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.589 13.200 5.264 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.933 13.857 3.255 1.00 0.00 C ATOM 0 H VAL A 84 5.209 11.971 1.951 1.00 0.00 H new ATOM 0 HA VAL A 84 3.499 13.701 3.592 1.00 0.00 H new ATOM 0 HB VAL A 84 5.469 15.058 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.416 13.517 5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.646 13.363 5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.696 12.141 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.742 14.164 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.076 12.815 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.937 14.484 2.363 1.00 0.00 H new ATOM 1213 N GLY A 85 3.473 15.378 1.752 1.00 0.00 N ATOM 1214 CA GLY A 85 3.375 16.274 0.614 1.00 0.00 C ATOM 1215 C GLY A 85 2.145 16.006 -0.230 1.00 0.00 C ATOM 1216 O GLY A 85 2.225 15.951 -1.458 1.00 0.00 O ATOM 0 H GLY A 85 2.759 15.515 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.352 17.305 0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.266 16.170 -0.005 1.00 0.00 H new ATOM 1220 N LEU A 86 1.003 15.838 0.428 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.251 15.573 -0.269 1.00 0.00 C ATOM 1222 C LEU A 86 -1.259 16.690 -0.020 1.00 0.00 C ATOM 1223 O LEU A 86 -0.979 17.640 0.710 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.835 14.233 0.182 1.00 0.00 C ATOM 1225 CG LEU A 86 0.158 13.077 0.309 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.487 11.896 1.017 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.673 12.663 -1.062 1.00 0.00 C ATOM 0 H LEU A 86 0.920 15.881 1.444 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.042 15.529 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.320 14.377 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.612 13.942 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 86 1.005 13.414 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.234 11.083 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.806 12.200 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.352 11.558 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.378 11.839 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.163 12.344 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.173 13.509 -1.533 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.433 16.567 -0.632 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.483 17.567 -0.474 1.00 0.00 C ATOM 1241 C GLU A 87 -4.296 17.307 0.791 1.00 0.00 C ATOM 1242 O GLU A 87 -4.235 16.223 1.371 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.405 17.566 -1.696 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.272 18.810 -1.805 1.00 0.00 C ATOM 1245 CD GLU A 87 -4.512 20.081 -1.478 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.811 20.599 -2.372 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -4.618 20.557 -0.328 1.00 0.00 O ATOM 0 H GLU A 87 -2.681 15.787 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.009 18.545 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.799 17.475 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.049 16.687 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.674 18.881 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.123 18.716 -1.130 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.058 18.311 1.214 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.884 18.193 2.409 1.00 0.00 C ATOM 1256 C LYS A 88 -7.322 17.840 2.044 1.00 0.00 C ATOM 1257 O LYS A 88 -7.871 18.359 1.072 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.856 19.500 3.204 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.457 20.055 3.413 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.483 21.553 3.666 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.078 22.131 3.733 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.090 23.620 3.729 1.00 0.00 N ATOM 0 H LYS A 88 -5.120 19.215 0.746 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.476 17.391 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.459 20.244 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.321 19.334 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.987 19.551 4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.846 19.844 2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.044 22.047 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.006 21.756 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.581 21.774 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.496 21.770 2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.114 23.975 3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.541 23.961 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.624 23.965 4.552 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.927 16.955 2.828 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.302 16.533 2.587 1.00 0.00 C ATOM 1278 C TRP A 89 -9.477 16.039 1.155 1.00 0.00 C ATOM 1279 O TRP A 89 -10.413 16.436 0.461 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.267 17.688 2.863 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.603 17.237 3.369 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.852 16.181 4.198 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.874 17.828 3.075 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.202 16.080 4.438 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.850 17.079 3.762 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.283 18.918 2.302 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.207 17.386 3.695 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.629 19.221 2.237 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.578 18.458 2.930 1.00 0.00 C ATOM 0 H TRP A 89 -7.487 16.516 3.636 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.528 15.710 3.265 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.818 18.361 3.594 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.408 18.261 1.947 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.099 15.522 4.605 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.649 15.375 5.025 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.559 19.513 1.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.940 16.799 4.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.956 20.061 1.642 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.623 18.721 2.859 1.00 0.00 H new ATOM 1300 N THR A 90 -8.570 15.171 0.718 1.00 0.00 N ATOM 1301 CA THR A 90 -8.624 14.624 -0.632 1.00 0.00 C ATOM 1302 C THR A 90 -8.253 13.145 -0.641 1.00 0.00 C ATOM 1303 O THR A 90 -7.371 12.713 0.100 1.00 0.00 O ATOM 1304 CB THR A 90 -7.682 15.384 -1.584 1.00 0.00 C ATOM 1305 OG1 THR A 90 -7.984 16.783 -1.559 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.810 14.858 -3.006 1.00 0.00 C ATOM 0 H THR A 90 -7.789 14.832 1.280 1.00 0.00 H new ATOM 0 HA THR A 90 -9.651 14.740 -0.980 1.00 0.00 H new ATOM 0 HB THR A 90 -6.657 15.228 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.808 17.140 -0.663 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.135 15.410 -3.660 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.551 13.799 -3.027 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.836 14.987 -3.351 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.932 12.375 -1.485 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.673 10.944 -1.589 1.00 0.00 C ATOM 1316 C GLU A 91 -7.418 10.677 -2.416 1.00 0.00 C ATOM 1317 O GLU A 91 -7.246 11.234 -3.500 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.871 10.230 -2.218 1.00 0.00 C ATOM 1319 CG GLU A 91 -10.047 8.799 -1.738 1.00 0.00 C ATOM 1320 CD GLU A 91 -10.877 8.705 -0.473 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -10.674 9.539 0.433 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.730 7.796 -0.390 1.00 0.00 O ATOM 0 H GLU A 91 -9.665 12.718 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.515 10.556 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.777 10.793 -1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.755 10.229 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.522 8.212 -2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.067 8.357 -1.558 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.544 9.823 -1.895 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.304 9.484 -2.582 1.00 0.00 C ATOM 1331 C TYR A 92 -5.151 7.972 -2.718 1.00 0.00 C ATOM 1332 O TYR A 92 -5.300 7.232 -1.746 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.105 10.063 -1.829 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.803 11.501 -2.184 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -2.964 11.814 -3.247 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -4.358 12.548 -1.458 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -2.685 13.126 -3.575 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -4.085 13.864 -1.780 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.248 14.148 -2.839 1.00 0.00 C ATOM 1340 OH TYR A 92 -2.974 15.457 -3.163 1.00 0.00 O ATOM 0 H TYR A 92 -6.672 9.353 -0.999 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.342 9.918 -3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.292 9.994 -0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.226 9.454 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.522 11.017 -3.827 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.014 12.330 -0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.030 13.351 -4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.525 14.666 -1.205 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.530 15.729 -3.923 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.853 7.521 -3.932 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.681 6.098 -4.197 1.00 0.00 C ATOM 1352 C ARG A 93 -3.220 5.688 -4.035 1.00 0.00 C ATOM 1353 O ARG A 93 -2.369 6.045 -4.850 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.163 5.759 -5.609 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.657 5.954 -5.805 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.081 5.620 -7.227 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.533 5.567 -7.368 1.00 0.00 N ATOM 1358 CZ ARG A 93 -9.165 5.704 -8.528 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.474 5.899 -9.643 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.490 5.644 -8.575 1.00 0.00 N ATOM 0 H ARG A 93 -4.726 8.120 -4.747 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.279 5.544 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.627 6.381 -6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.908 4.723 -5.832 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.202 5.322 -5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.923 6.986 -5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.678 6.367 -7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.654 4.660 -7.516 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.093 5.416 -6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.456 5.944 -9.611 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.961 6.004 -10.533 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.024 5.493 -7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.974 5.749 -9.467 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.936 4.936 -2.976 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.579 4.476 -2.706 1.00 0.00 C ATOM 1376 C VAL A 94 -1.371 3.052 -3.210 1.00 0.00 C ATOM 1377 O VAL A 94 -2.250 2.201 -3.076 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.257 4.529 -1.201 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.163 4.049 -0.941 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.460 5.937 -0.662 1.00 0.00 C ATOM 0 H VAL A 94 -3.628 4.632 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.905 5.148 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.942 3.862 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.372 4.094 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.269 3.021 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.866 4.688 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.228 5.956 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.801 6.627 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.497 6.238 -0.813 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.202 2.800 -3.788 1.00 0.00 N ATOM 1391 CA TRP A 95 0.122 1.478 -4.311 1.00 0.00 C ATOM 1392 C TRP A 95 1.488 1.017 -3.816 1.00 0.00 C ATOM 1393 O TRP A 95 2.519 1.565 -4.207 1.00 0.00 O ATOM 1394 CB TRP A 95 0.099 1.493 -5.841 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.240 1.852 -6.411 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.290 1.007 -6.633 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.671 3.151 -6.832 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.348 1.702 -7.168 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.994 3.019 -7.299 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.070 4.412 -6.859 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.722 4.101 -7.787 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.794 5.484 -7.344 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.108 5.324 -7.802 1.00 0.00 C ATOM 0 H TRP A 95 0.537 3.493 -3.906 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.630 0.777 -3.950 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.842 2.204 -6.202 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.392 0.511 -6.211 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.289 -0.052 -6.419 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.250 1.302 -7.426 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.058 4.546 -6.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.735 3.979 -8.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.339 6.463 -7.370 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.647 6.183 -8.174 1.00 0.00 H new ATOM 1414 N VAL A 96 1.489 0.005 -2.953 1.00 0.00 N ATOM 1415 CA VAL A 96 2.730 -0.531 -2.406 1.00 0.00 C ATOM 1416 C VAL A 96 3.011 -1.928 -2.947 1.00 0.00 C ATOM 1417 O VAL A 96 2.147 -2.804 -2.909 1.00 0.00 O ATOM 1418 CB VAL A 96 2.686 -0.587 -0.867 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.420 -1.286 -0.394 1.00 0.00 C ATOM 1420 CG2 VAL A 96 3.924 -1.284 -0.324 1.00 0.00 C ATOM 0 H VAL A 96 0.645 -0.459 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 96 3.530 0.142 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 96 2.674 0.433 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.406 -1.316 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.547 -0.740 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.398 -2.303 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.876 -1.315 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.970 -2.301 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.815 -0.737 -0.633 1.00 0.00 H new ATOM 1430 N ARG A 97 4.225 -2.129 -3.449 1.00 0.00 N ATOM 1431 CA ARG A 97 4.620 -3.420 -3.998 1.00 0.00 C ATOM 1432 C ARG A 97 5.966 -3.863 -3.433 1.00 0.00 C ATOM 1433 O ARG A 97 6.661 -3.087 -2.778 1.00 0.00 O ATOM 1434 CB ARG A 97 4.695 -3.348 -5.525 1.00 0.00 C ATOM 1435 CG ARG A 97 5.767 -2.400 -6.037 1.00 0.00 C ATOM 1436 CD ARG A 97 5.380 -1.794 -7.377 1.00 0.00 C ATOM 1437 NE ARG A 97 4.480 -0.655 -7.223 1.00 0.00 N ATOM 1438 CZ ARG A 97 4.025 0.066 -8.242 1.00 0.00 C ATOM 1439 NH1 ARG A 97 4.385 -0.233 -9.483 1.00 0.00 N ATOM 1440 NH2 ARG A 97 3.209 1.088 -8.022 1.00 0.00 N ATOM 0 H ARG A 97 4.952 -1.414 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 97 3.866 -4.153 -3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.886 -4.346 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.727 -3.032 -5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.928 -1.604 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.711 -2.936 -6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.279 -1.476 -7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.900 -2.554 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 97 4.184 -0.399 -6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.013 -1.018 -9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.034 0.322 -10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.930 1.322 -7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.861 1.640 -8.806 1.00 0.00 H new ATOM 1454 N ALA A 98 6.328 -5.115 -3.691 1.00 0.00 N ATOM 1455 CA ALA A 98 7.591 -5.661 -3.210 1.00 0.00 C ATOM 1456 C ALA A 98 8.588 -5.826 -4.352 1.00 0.00 C ATOM 1457 O ALA A 98 8.219 -6.215 -5.460 1.00 0.00 O ATOM 1458 CB ALA A 98 7.359 -6.992 -2.512 1.00 0.00 C ATOM 0 H ALA A 98 5.764 -5.771 -4.231 1.00 0.00 H new ATOM 0 HA ALA A 98 8.013 -4.957 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.311 -7.388 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.689 -6.847 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.911 -7.697 -3.212 1.00 0.00 H new ATOM 1464 N HIS A 99 9.853 -5.527 -4.074 1.00 0.00 N ATOM 1465 CA HIS A 99 10.904 -5.643 -5.079 1.00 0.00 C ATOM 1466 C HIS A 99 11.890 -6.747 -4.709 1.00 0.00 C ATOM 1467 O HIS A 99 12.307 -6.862 -3.556 1.00 0.00 O ATOM 1468 CB HIS A 99 11.643 -4.313 -5.230 1.00 0.00 C ATOM 1469 CG HIS A 99 10.995 -3.375 -6.201 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.737 -2.845 -6.010 1.00 0.00 N ATOM 1471 CD2 HIS A 99 11.440 -2.870 -7.375 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.434 -2.057 -7.026 1.00 0.00 C ATOM 1473 NE2 HIS A 99 10.451 -2.054 -7.868 1.00 0.00 N ATOM 0 H HIS A 99 10.175 -5.203 -3.162 1.00 0.00 H new ATOM 0 HA HIS A 99 10.437 -5.901 -6.030 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.705 -3.828 -4.256 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.665 -4.509 -5.554 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.395 -3.071 -7.838 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.512 -1.509 -7.147 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.495 -1.531 -8.742 1.00 0.00 H new ATOM 1482 N THR A 100 12.259 -7.559 -5.695 1.00 0.00 N ATOM 1483 CA THR A 100 13.194 -8.655 -5.473 1.00 0.00 C ATOM 1484 C THR A 100 14.484 -8.444 -6.257 1.00 0.00 C ATOM 1485 O THR A 100 14.538 -7.624 -7.173 1.00 0.00 O ATOM 1486 CB THR A 100 12.578 -10.009 -5.875 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.647 -9.825 -6.947 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.874 -10.656 -4.692 1.00 0.00 C ATOM 0 H THR A 100 11.924 -7.478 -6.655 1.00 0.00 H new ATOM 0 HA THR A 100 13.418 -8.668 -4.406 1.00 0.00 H new ATOM 0 HB THR A 100 13.384 -10.666 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.926 -9.062 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.447 -11.610 -5.000 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.591 -10.822 -3.888 1.00 0.00 H new ATOM 0 HG23 THR A 100 11.078 -10.000 -4.339 1.00 0.00 H new ATOM 1496 N ASP A 101 15.521 -9.190 -5.891 1.00 0.00 N ATOM 1497 CA ASP A 101 16.812 -9.086 -6.562 1.00 0.00 C ATOM 1498 C ASP A 101 16.683 -9.422 -8.044 1.00 0.00 C ATOM 1499 O ASP A 101 17.515 -9.020 -8.858 1.00 0.00 O ATOM 1500 CB ASP A 101 17.830 -10.016 -5.902 1.00 0.00 C ATOM 1501 CG ASP A 101 19.100 -10.158 -6.718 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.538 -9.151 -7.313 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.655 -11.275 -6.762 1.00 0.00 O ATOM 0 H ASP A 101 15.493 -9.873 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 101 17.159 -8.057 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 101 18.079 -9.633 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.381 -10.999 -5.760 1.00 0.00 H new ATOM 1508 N VAL A 102 15.635 -10.164 -8.389 1.00 0.00 N ATOM 1509 CA VAL A 102 15.397 -10.555 -9.773 1.00 0.00 C ATOM 1510 C VAL A 102 14.702 -9.440 -10.547 1.00 0.00 C ATOM 1511 O VAL A 102 14.840 -9.337 -11.765 1.00 0.00 O ATOM 1512 CB VAL A 102 14.541 -11.833 -9.856 1.00 0.00 C ATOM 1513 CG1 VAL A 102 15.373 -13.056 -9.502 1.00 0.00 C ATOM 1514 CG2 VAL A 102 13.328 -11.721 -8.945 1.00 0.00 C ATOM 0 H VAL A 102 14.937 -10.506 -7.728 1.00 0.00 H new ATOM 0 HA VAL A 102 16.372 -10.750 -10.219 1.00 0.00 H new ATOM 0 HB VAL A 102 14.188 -11.948 -10.881 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.752 -13.949 -9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 102 16.207 -13.143 -10.199 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.757 -12.953 -8.487 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.734 -12.632 -9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.658 -11.582 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.721 -10.868 -9.250 1.00 0.00 H new ATOM 1524 N GLY A 103 13.954 -8.606 -9.830 1.00 0.00 N ATOM 1525 CA GLY A 103 13.249 -7.509 -10.467 1.00 0.00 C ATOM 1526 C GLY A 103 12.091 -7.001 -9.630 1.00 0.00 C ATOM 1527 O GLY A 103 11.859 -7.458 -8.511 1.00 0.00 O ATOM 0 H GLY A 103 13.824 -8.671 -8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.946 -6.692 -10.652 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.876 -7.836 -11.438 1.00 0.00 H new ATOM 1531 N PRO A 104 11.342 -6.032 -10.177 1.00 0.00 N ATOM 1532 CA PRO A 104 10.190 -5.440 -9.490 1.00 0.00 C ATOM 1533 C PRO A 104 9.022 -6.413 -9.373 1.00 0.00 C ATOM 1534 O PRO A 104 9.043 -7.496 -9.956 1.00 0.00 O ATOM 1535 CB PRO A 104 9.814 -4.257 -10.385 1.00 0.00 C ATOM 1536 CG PRO A 104 10.316 -4.630 -11.737 1.00 0.00 C ATOM 1537 CD PRO A 104 11.561 -5.441 -11.507 1.00 0.00 C ATOM 0 HA PRO A 104 10.427 -5.158 -8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.736 -4.094 -10.394 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.273 -3.333 -10.033 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.570 -5.206 -12.285 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.533 -3.742 -12.331 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.688 -6.208 -12.271 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.456 -4.819 -11.528 1.00 0.00 H new ATOM 1545 N GLY A 105 8.003 -6.019 -8.615 1.00 0.00 N ATOM 1546 CA GLY A 105 6.840 -6.868 -8.436 1.00 0.00 C ATOM 1547 C GLY A 105 5.544 -6.154 -8.768 1.00 0.00 C ATOM 1548 O GLY A 105 5.518 -4.944 -8.998 1.00 0.00 O ATOM 0 H GLY A 105 7.962 -5.127 -8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.937 -7.750 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.805 -7.218 -7.404 1.00 0.00 H new ATOM 1552 N PRO A 106 4.438 -6.911 -8.798 1.00 0.00 N ATOM 1553 CA PRO A 106 3.112 -6.364 -9.104 1.00 0.00 C ATOM 1554 C PRO A 106 2.585 -5.464 -7.992 1.00 0.00 C ATOM 1555 O PRO A 106 3.032 -5.550 -6.849 1.00 0.00 O ATOM 1556 CB PRO A 106 2.237 -7.612 -9.243 1.00 0.00 C ATOM 1557 CG PRO A 106 2.923 -8.649 -8.422 1.00 0.00 C ATOM 1558 CD PRO A 106 4.395 -8.359 -8.534 1.00 0.00 C ATOM 0 HA PRO A 106 3.126 -5.735 -9.994 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.225 -7.428 -8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.153 -7.923 -10.284 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.594 -8.605 -7.384 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.694 -9.650 -8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.926 -8.616 -7.618 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.857 -8.928 -9.341 1.00 0.00 H new ATOM 1566 N GLU A 107 1.632 -4.603 -8.335 1.00 0.00 N ATOM 1567 CA GLU A 107 1.045 -3.688 -7.364 1.00 0.00 C ATOM 1568 C GLU A 107 0.056 -4.417 -6.458 1.00 0.00 C ATOM 1569 O GLU A 107 -0.227 -5.598 -6.654 1.00 0.00 O ATOM 1570 CB GLU A 107 0.342 -2.532 -8.079 1.00 0.00 C ATOM 1571 CG GLU A 107 1.261 -1.725 -8.980 1.00 0.00 C ATOM 1572 CD GLU A 107 1.452 -2.364 -10.342 1.00 0.00 C ATOM 1573 OE1 GLU A 107 2.350 -3.222 -10.473 1.00 0.00 O ATOM 1574 OE2 GLU A 107 0.703 -2.007 -11.275 1.00 0.00 O ATOM 0 H GLU A 107 1.250 -4.520 -9.277 1.00 0.00 H new ATOM 0 HA GLU A 107 1.850 -3.288 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.479 -2.930 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.097 -1.868 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.851 -0.723 -9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.231 -1.613 -8.496 1.00 0.00 H new ATOM 1581 N SER A 108 -0.465 -3.703 -5.465 1.00 0.00 N ATOM 1582 CA SER A 108 -1.418 -4.281 -4.525 1.00 0.00 C ATOM 1583 C SER A 108 -2.741 -3.522 -4.557 1.00 0.00 C ATOM 1584 O SER A 108 -2.899 -2.558 -5.306 1.00 0.00 O ATOM 1585 CB SER A 108 -0.842 -4.267 -3.108 1.00 0.00 C ATOM 1586 OG SER A 108 -0.788 -2.948 -2.593 1.00 0.00 O ATOM 0 H SER A 108 -0.243 -2.723 -5.291 1.00 0.00 H new ATOM 0 HA SER A 108 -1.604 -5.313 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.455 -4.890 -2.457 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.158 -4.700 -3.114 1.00 0.00 H new ATOM 0 HG SER A 108 0.143 -2.643 -2.572 1.00 0.00 H new ATOM 1592 N SER A 109 -3.689 -3.964 -3.737 1.00 0.00 N ATOM 1593 CA SER A 109 -5.001 -3.330 -3.673 1.00 0.00 C ATOM 1594 C SER A 109 -4.891 -1.909 -3.128 1.00 0.00 C ATOM 1595 O SER A 109 -4.445 -1.681 -2.003 1.00 0.00 O ATOM 1596 CB SER A 109 -5.947 -4.153 -2.796 1.00 0.00 C ATOM 1597 OG SER A 109 -7.169 -3.469 -2.583 1.00 0.00 O ATOM 0 H SER A 109 -3.573 -4.758 -3.108 1.00 0.00 H new ATOM 0 HA SER A 109 -5.404 -3.283 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.143 -5.115 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.471 -4.361 -1.838 1.00 0.00 H new ATOM 0 HG SER A 109 -7.757 -4.016 -2.021 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.307 -0.929 -3.944 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.266 0.487 -3.566 1.00 0.00 C ATOM 1605 C PRO A 110 -6.281 0.826 -2.480 1.00 0.00 C ATOM 1606 O PRO A 110 -7.466 0.516 -2.605 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.613 1.212 -4.868 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.405 0.224 -5.652 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.849 -1.128 -5.298 1.00 0.00 C ATOM 0 HA PRO A 110 -4.299 0.770 -3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.189 2.117 -4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.714 1.514 -5.405 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.464 0.288 -5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.317 0.414 -6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.622 -1.897 -5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.075 -1.440 -5.999 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.810 1.467 -1.415 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.678 1.850 -0.308 1.00 0.00 C ATOM 1619 C VAL A 111 -7.011 3.337 -0.360 1.00 0.00 C ATOM 1620 O VAL A 111 -6.122 4.187 -0.299 1.00 0.00 O ATOM 1621 CB VAL A 111 -6.028 1.529 1.051 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.849 2.119 2.188 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.868 0.026 1.223 1.00 0.00 C ATOM 0 H VAL A 111 -4.832 1.732 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.596 1.271 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.037 1.982 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.375 1.882 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.908 3.201 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.854 1.697 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.407 -0.183 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.847 -0.452 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.235 -0.366 0.427 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.298 3.645 -0.474 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.751 5.031 -0.535 1.00 0.00 C ATOM 1635 C LEU A 112 -8.778 5.656 0.856 1.00 0.00 C ATOM 1636 O LEU A 112 -9.513 5.207 1.736 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.142 5.106 -1.167 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.322 4.351 -2.485 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.749 4.492 -2.990 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.333 4.852 -3.527 1.00 0.00 C ATOM 0 H LEU A 112 -9.047 2.954 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.048 5.591 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.867 4.721 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.386 6.155 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.125 3.294 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.858 3.948 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.438 4.083 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.975 5.546 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.476 4.303 -4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.498 5.915 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.316 4.697 -3.167 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.973 6.696 1.048 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.906 7.385 2.331 1.00 0.00 C ATOM 1654 C VAL A 113 -8.176 8.877 2.168 1.00 0.00 C ATOM 1655 O VAL A 113 -7.613 9.527 1.287 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.533 7.193 3.001 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.278 5.721 3.285 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.430 7.775 2.130 1.00 0.00 C ATOM 0 H VAL A 113 -7.358 7.080 0.331 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.676 6.946 2.966 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.534 7.726 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.303 5.605 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.052 5.339 3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.296 5.162 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.466 7.631 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.426 7.271 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.606 8.841 1.983 1.00 0.00 H new ATOM 1668 N ARG A 114 -9.041 9.413 3.022 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.386 10.829 2.973 1.00 0.00 C ATOM 1670 C ARG A 114 -8.665 11.603 4.072 1.00 0.00 C ATOM 1671 O ARG A 114 -9.038 11.534 5.243 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.899 11.012 3.114 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.352 12.456 2.978 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.782 12.639 3.463 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.754 12.421 2.395 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.227 11.225 2.065 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -13.820 10.144 2.715 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -15.110 11.108 1.081 1.00 0.00 N ATOM 0 H ARG A 114 -9.516 8.888 3.756 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.067 11.222 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.402 10.409 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.214 10.631 4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.687 13.103 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.278 12.765 1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.979 11.945 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.903 13.646 3.863 1.00 0.00 H new ATOM 0 HE ARG A 114 -14.088 13.232 1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -13.141 10.229 3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -14.186 9.227 2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.426 11.937 0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.473 10.189 0.828 1.00 0.00 H new ATOM 1692 N THR A 115 -7.628 12.341 3.686 1.00 0.00 N ATOM 1693 CA THR A 115 -6.853 13.127 4.637 1.00 0.00 C ATOM 1694 C THR A 115 -7.754 14.049 5.451 1.00 0.00 C ATOM 1695 O THR A 115 -8.832 14.436 5.000 1.00 0.00 O ATOM 1696 CB THR A 115 -5.781 13.973 3.925 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.338 14.591 2.760 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.589 13.114 3.530 1.00 0.00 C ATOM 0 H THR A 115 -7.306 12.410 2.721 1.00 0.00 H new ATOM 0 HA THR A 115 -6.362 12.420 5.306 1.00 0.00 H new ATOM 0 HB THR A 115 -5.440 14.744 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.109 14.061 1.968 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.845 13.733 3.029 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.149 12.669 4.423 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.918 12.324 2.855 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.305 14.398 6.652 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.070 15.277 7.529 1.00 0.00 C ATOM 1708 C ASP A 116 -8.464 16.560 6.803 1.00 0.00 C ATOM 1709 O ASP A 116 -7.783 16.991 5.872 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.260 15.614 8.782 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.280 14.492 9.802 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -8.326 14.304 10.457 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -6.249 13.803 9.944 1.00 0.00 O ATOM 0 H ASP A 116 -6.415 14.086 7.040 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.979 14.753 7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.229 15.826 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.659 16.521 9.236 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.567 17.164 7.234 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.051 18.396 6.623 1.00 0.00 C ATOM 1720 C GLU A 117 -9.501 19.618 7.353 1.00 0.00 C ATOM 1721 O GLU A 117 -9.266 19.579 8.561 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.581 18.429 6.633 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.169 19.057 7.885 1.00 0.00 C ATOM 1724 CD GLU A 117 -11.890 18.241 9.133 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -12.249 17.046 9.153 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -11.312 18.800 10.089 1.00 0.00 O ATOM 0 H GLU A 117 -10.142 16.820 8.003 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.700 18.422 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.930 18.983 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.958 17.411 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.759 20.059 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.246 19.167 7.760 1.00 0.00 H new