USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 726 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 96 ASN : amide:sc= -0.0701 K(o=1.1,f=0.51) USER MOD Set 1.2: A 97 SER OG : rot -179:sc= 1.22 USER MOD Set 2.1: A 27 THR OG1 : rot -138:sc= 1.12 USER MOD Set 2.2: A 29 HIS : no HE2:sc= 1.23 K(o=4.4,f=-1.1!) USER MOD Set 2.3: A 31 THR OG1 : rot -150:sc= 2.02 USER MOD Set 3.1: A 19 SER OG : rot 120:sc= 0.684 USER MOD Set 3.2: A 37 LYS NZ :NH3+ 171:sc= 2.45 (180deg=2.2) USER MOD Single : A 13 MET CE :methyl -175:sc=-0.00594 (180deg=-0.0345) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00827 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 2.35 (180deg=2.29) USER MOD Single : A 22 LYS NZ :NH3+ 142:sc= 2.34 (180deg=0.367) USER MOD Single : A 24 MET CE :methyl -151:sc= -0.974 (180deg=-1.66) USER MOD Single : A 28 GLN : amide:sc= 0.237 K(o=0.24,f=-4.8!) USER MOD Single : A 32 THR OG1 : rot 132:sc= 0.557 USER MOD Single : A 35 LYS NZ :NH3+ -151:sc= 1.77 (180deg=0.818) USER MOD Single : A 38 TYR OH : rot 94:sc= -0.0444 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 1.24 K(o=1.2,f=-0.48) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 3.23 (180deg=3.08) USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= 2.29 (180deg=0.395) USER MOD Single : A 65 SER OG : rot -43:sc= 1.18 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0572 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 1.21 K(o=1.2,f=-0.021) USER MOD Single : A 73 THR OG1 : rot -76:sc= 1.26 USER MOD Single : A 74 ASN : amide:sc= 0.0766 K(o=0.077,f=-1.8!) USER MOD Single : A 75 SER OG : rot -90:sc= -0.0118 USER MOD Single : A 77 THR OG1 : rot -141:sc= 1.19 USER MOD Single : A 78 ASN : amide:sc= 0.999 K(o=1,f=-0.3) USER MOD Single : A 88 SER OG : rot -67:sc= 1.31 USER MOD Single : A 89 TYR OH : rot -15:sc= 1.04 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0.0793 K(o=0.079,f=-1.6) USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 211 N MET A 13 -68.273 36.675 95.526 1.00 0.00 N ATOM 212 CA MET A 13 -67.252 37.136 96.480 1.00 0.00 C ATOM 213 C MET A 13 -65.932 36.338 96.465 1.00 0.00 C ATOM 214 O MET A 13 -65.150 36.479 95.529 1.00 0.00 O ATOM 215 CB MET A 13 -67.899 37.277 97.876 1.00 0.00 C ATOM 216 CG MET A 13 -68.753 38.543 98.013 1.00 0.00 C ATOM 217 SD MET A 13 -67.831 40.104 97.953 1.00 0.00 S ATOM 218 CE MET A 13 -66.989 40.070 99.560 1.00 0.00 C ATOM 0 HA MET A 13 -66.911 38.118 96.154 1.00 0.00 H new ATOM 0 HB2 MET A 13 -68.520 36.403 98.073 1.00 0.00 H new ATOM 0 HB3 MET A 13 -67.116 37.289 98.634 1.00 0.00 H new ATOM 0 HG2 MET A 13 -69.498 38.548 97.217 1.00 0.00 H new ATOM 0 HG3 MET A 13 -69.296 38.496 98.957 1.00 0.00 H new ATOM 0 HE1 MET A 13 -66.452 41.007 99.709 1.00 0.00 H new ATOM 0 HE2 MET A 13 -67.725 39.943 100.354 1.00 0.00 H new ATOM 0 HE3 MET A 13 -66.283 39.239 99.584 1.00 0.00 H new ATOM 228 N CYS A 14 -65.593 35.638 97.555 1.00 0.00 N ATOM 229 CA CYS A 14 -64.232 35.704 98.092 1.00 0.00 C ATOM 230 C CYS A 14 -63.186 34.892 97.320 1.00 0.00 C ATOM 231 O CYS A 14 -63.074 33.677 97.474 1.00 0.00 O ATOM 232 CB CYS A 14 -64.253 35.347 99.577 1.00 0.00 C ATOM 233 SG CYS A 14 -64.909 36.692 100.594 1.00 0.00 S ATOM 0 H CYS A 14 -66.229 35.031 98.072 1.00 0.00 H new ATOM 0 HA CYS A 14 -63.900 36.734 97.962 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -64.859 34.453 99.725 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -63.242 35.105 99.905 1.00 0.00 H new ATOM 238 N SER A 15 -62.348 35.613 96.567 1.00 0.00 N ATOM 239 CA SER A 15 -61.101 35.136 95.966 1.00 0.00 C ATOM 240 C SER A 15 -59.953 34.913 96.967 1.00 0.00 C ATOM 241 O SER A 15 -58.884 34.444 96.570 1.00 0.00 O ATOM 242 CB SER A 15 -60.658 36.138 94.893 1.00 0.00 C ATOM 243 OG SER A 15 -60.537 37.430 95.459 1.00 0.00 O ATOM 0 H SER A 15 -62.532 36.593 96.351 1.00 0.00 H new ATOM 0 HA SER A 15 -61.316 34.155 95.542 1.00 0.00 H new ATOM 0 HB2 SER A 15 -59.704 35.828 94.466 1.00 0.00 H new ATOM 0 HB3 SER A 15 -61.382 36.155 94.078 1.00 0.00 H new ATOM 0 HG SER A 15 -60.252 38.064 94.768 1.00 0.00 H new ATOM 249 N GLY A 16 -60.149 35.230 98.254 1.00 0.00 N ATOM 250 CA GLY A 16 -59.176 35.017 99.326 1.00 0.00 C ATOM 251 C GLY A 16 -59.173 33.583 99.881 1.00 0.00 C ATOM 252 O GLY A 16 -60.039 32.771 99.559 1.00 0.00 O ATOM 0 H GLY A 16 -61.016 35.654 98.584 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -58.180 35.255 98.953 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -59.386 35.712 100.139 1.00 0.00 H new ATOM 256 N LYS A 17 -58.176 33.274 100.721 1.00 0.00 N ATOM 257 CA LYS A 17 -57.941 31.943 101.304 1.00 0.00 C ATOM 258 C LYS A 17 -58.954 31.581 102.406 1.00 0.00 C ATOM 259 O LYS A 17 -59.549 32.447 103.045 1.00 0.00 O ATOM 260 CB LYS A 17 -56.500 31.901 101.851 1.00 0.00 C ATOM 261 CG LYS A 17 -55.891 30.485 101.865 1.00 0.00 C ATOM 262 CD LYS A 17 -54.581 30.414 102.665 1.00 0.00 C ATOM 263 CE LYS A 17 -54.789 30.564 104.181 1.00 0.00 C ATOM 264 NZ LYS A 17 -55.404 29.366 104.796 1.00 0.00 N ATOM 0 H LYS A 17 -57.488 33.964 101.024 1.00 0.00 H new ATOM 0 HA LYS A 17 -58.077 31.197 100.521 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -55.870 32.553 101.246 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -56.492 32.302 102.865 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -56.612 29.788 102.292 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -55.705 30.163 100.840 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -54.091 29.461 102.464 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -53.908 31.198 102.318 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -53.828 30.759 104.658 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -55.422 31.431 104.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -55.615 29.559 105.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -56.285 29.132 104.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -54.745 28.564 104.729 1.00 0.00 H new ATOM 278 N PHE A 18 -59.064 30.285 102.693 1.00 0.00 N ATOM 279 CA PHE A 18 -59.850 29.682 103.775 1.00 0.00 C ATOM 280 C PHE A 18 -58.983 28.670 104.553 1.00 0.00 C ATOM 281 O PHE A 18 -57.860 28.374 104.133 1.00 0.00 O ATOM 282 CB PHE A 18 -61.093 29.015 103.151 1.00 0.00 C ATOM 283 CG PHE A 18 -62.094 29.984 102.550 1.00 0.00 C ATOM 284 CD1 PHE A 18 -61.899 30.499 101.251 1.00 0.00 C ATOM 285 CD2 PHE A 18 -63.210 30.396 103.302 1.00 0.00 C ATOM 286 CE1 PHE A 18 -62.777 31.467 100.734 1.00 0.00 C ATOM 287 CE2 PHE A 18 -64.088 31.363 102.785 1.00 0.00 C ATOM 288 CZ PHE A 18 -63.861 31.911 101.509 1.00 0.00 C ATOM 0 H PHE A 18 -58.575 29.580 102.141 1.00 0.00 H new ATOM 0 HA PHE A 18 -60.176 30.439 104.488 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -60.767 28.322 102.375 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -61.595 28.423 103.917 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -61.072 30.148 100.652 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -63.391 29.968 104.277 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -62.619 31.868 99.744 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -64.938 31.686 103.367 1.00 0.00 H new ATOM 0 HZ PHE A 18 -64.521 32.674 101.125 1.00 0.00 H new ATOM 298 N SER A 19 -59.506 28.096 105.642 1.00 0.00 N ATOM 299 CA SER A 19 -59.010 26.854 106.261 1.00 0.00 C ATOM 300 C SER A 19 -60.046 25.729 106.164 1.00 0.00 C ATOM 301 O SER A 19 -61.255 25.962 106.274 1.00 0.00 O ATOM 302 CB SER A 19 -58.638 27.059 107.736 1.00 0.00 C ATOM 303 OG SER A 19 -59.713 27.668 108.410 1.00 0.00 O ATOM 0 H SER A 19 -60.308 28.491 106.133 1.00 0.00 H new ATOM 0 HA SER A 19 -58.115 26.573 105.706 1.00 0.00 H new ATOM 0 HB2 SER A 19 -58.400 26.101 108.199 1.00 0.00 H new ATOM 0 HB3 SER A 19 -57.746 27.681 107.814 1.00 0.00 H new ATOM 0 HG SER A 19 -60.017 27.084 109.136 1.00 0.00 H new ATOM 309 N ILE A 20 -59.555 24.494 105.983 1.00 0.00 N ATOM 310 CA ILE A 20 -60.303 23.273 106.289 1.00 0.00 C ATOM 311 C ILE A 20 -60.293 23.119 107.810 1.00 0.00 C ATOM 312 O ILE A 20 -59.332 22.657 108.418 1.00 0.00 O ATOM 313 CB ILE A 20 -59.788 22.037 105.511 1.00 0.00 C ATOM 314 CG1 ILE A 20 -60.536 20.750 105.931 1.00 0.00 C ATOM 315 CG2 ILE A 20 -58.268 21.800 105.596 1.00 0.00 C ATOM 316 CD1 ILE A 20 -62.042 20.812 105.653 1.00 0.00 C ATOM 0 H ILE A 20 -58.620 24.317 105.617 1.00 0.00 H new ATOM 0 HA ILE A 20 -61.334 23.352 105.945 1.00 0.00 H new ATOM 0 HB ILE A 20 -60.002 22.273 104.469 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -60.109 19.899 105.400 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -60.376 20.575 106.995 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -58.005 20.913 105.020 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -57.742 22.664 105.191 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -57.980 21.655 106.637 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -62.509 19.880 105.970 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -62.480 21.643 106.205 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -62.209 20.957 104.586 1.00 0.00 H new ATOM 328 N ASP A 21 -61.344 23.639 108.433 1.00 0.00 N ATOM 329 CA ASP A 21 -61.364 23.999 109.844 1.00 0.00 C ATOM 330 C ASP A 21 -61.974 22.889 110.721 1.00 0.00 C ATOM 331 O ASP A 21 -61.783 22.876 111.939 1.00 0.00 O ATOM 332 CB ASP A 21 -62.117 25.333 109.935 1.00 0.00 C ATOM 333 CG ASP A 21 -61.487 26.274 110.943 1.00 0.00 C ATOM 334 OD1 ASP A 21 -60.424 26.852 110.597 1.00 0.00 O ATOM 335 OD2 ASP A 21 -62.105 26.435 112.019 1.00 0.00 O ATOM 0 H ASP A 21 -62.227 23.826 107.958 1.00 0.00 H new ATOM 0 HA ASP A 21 -60.354 24.113 110.238 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -62.131 25.809 108.954 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -63.154 25.146 110.213 1.00 0.00 H new ATOM 340 N LYS A 22 -62.691 21.945 110.093 1.00 0.00 N ATOM 341 CA LYS A 22 -62.829 20.537 110.486 1.00 0.00 C ATOM 342 C LYS A 22 -62.940 19.695 109.210 1.00 0.00 C ATOM 343 O LYS A 22 -63.646 20.087 108.280 1.00 0.00 O ATOM 344 CB LYS A 22 -64.060 20.301 111.384 1.00 0.00 C ATOM 345 CG LYS A 22 -64.010 18.924 112.066 1.00 0.00 C ATOM 346 CD LYS A 22 -65.348 18.480 112.679 1.00 0.00 C ATOM 347 CE LYS A 22 -66.467 18.175 111.667 1.00 0.00 C ATOM 348 NZ LYS A 22 -66.102 17.104 110.710 1.00 0.00 N ATOM 0 H LYS A 22 -63.221 22.158 109.248 1.00 0.00 H new ATOM 0 HA LYS A 22 -61.954 20.248 111.069 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -64.112 21.082 112.143 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -64.968 20.378 110.785 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -63.692 18.180 111.336 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -63.253 18.946 112.850 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -65.174 17.589 113.283 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -65.696 19.261 113.355 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -67.368 17.882 112.206 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -66.708 19.083 111.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -66.934 16.509 110.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -65.772 17.531 109.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -65.343 16.520 111.116 1.00 0.00 H new ATOM 362 N GLU A 23 -62.274 18.539 109.216 1.00 0.00 N ATOM 363 CA GLU A 23 -62.300 17.481 108.199 1.00 0.00 C ATOM 364 C GLU A 23 -63.710 17.049 107.760 1.00 0.00 C ATOM 365 O GLU A 23 -64.703 17.292 108.447 1.00 0.00 O ATOM 366 CB GLU A 23 -61.476 16.277 108.711 1.00 0.00 C ATOM 367 CG GLU A 23 -61.696 15.822 110.173 1.00 0.00 C ATOM 368 CD GLU A 23 -63.016 15.081 110.425 1.00 0.00 C ATOM 369 OE1 GLU A 23 -63.095 13.902 110.016 1.00 0.00 O ATOM 370 OE2 GLU A 23 -63.931 15.671 111.044 1.00 0.00 O ATOM 0 H GLU A 23 -61.655 18.298 109.990 1.00 0.00 H new ATOM 0 HA GLU A 23 -61.853 17.895 107.295 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -61.685 15.427 108.061 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -60.420 16.518 108.591 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -60.870 15.173 110.465 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -61.658 16.698 110.821 1.00 0.00 H new ATOM 377 N MET A 24 -63.797 16.382 106.607 1.00 0.00 N ATOM 378 CA MET A 24 -65.054 15.840 106.083 1.00 0.00 C ATOM 379 C MET A 24 -65.584 14.651 106.897 1.00 0.00 C ATOM 380 O MET A 24 -64.892 13.650 107.090 1.00 0.00 O ATOM 381 CB MET A 24 -64.850 15.451 104.616 1.00 0.00 C ATOM 382 CG MET A 24 -65.149 16.665 103.745 1.00 0.00 C ATOM 383 SD MET A 24 -64.685 16.532 102.010 1.00 0.00 S ATOM 384 CE MET A 24 -62.885 16.519 102.201 1.00 0.00 C ATOM 0 H MET A 24 -62.993 16.201 106.006 1.00 0.00 H new ATOM 0 HA MET A 24 -65.815 16.616 106.166 1.00 0.00 H new ATOM 0 HB2 MET A 24 -63.827 15.111 104.453 1.00 0.00 H new ATOM 0 HB3 MET A 24 -65.507 14.623 104.349 1.00 0.00 H new ATOM 0 HG2 MET A 24 -66.218 16.871 103.799 1.00 0.00 H new ATOM 0 HG3 MET A 24 -64.637 17.527 104.172 1.00 0.00 H new ATOM 0 HE1 MET A 24 -62.422 16.947 101.312 1.00 0.00 H new ATOM 0 HE2 MET A 24 -62.608 17.109 103.075 1.00 0.00 H new ATOM 0 HE3 MET A 24 -62.540 15.493 102.331 1.00 0.00 H new ATOM 394 N ALA A 25 -66.850 14.737 107.320 1.00 0.00 N ATOM 395 CA ALA A 25 -67.578 13.669 108.003 1.00 0.00 C ATOM 396 C ALA A 25 -68.903 13.383 107.281 1.00 0.00 C ATOM 397 O ALA A 25 -69.703 14.298 107.078 1.00 0.00 O ATOM 398 CB ALA A 25 -67.786 14.069 109.468 1.00 0.00 C ATOM 0 H ALA A 25 -67.411 15.579 107.191 1.00 0.00 H new ATOM 0 HA ALA A 25 -67.003 12.743 107.982 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -68.328 13.279 109.987 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -66.818 14.219 109.945 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -68.360 14.994 109.515 1.00 0.00 H new ATOM 404 N GLU A 26 -69.112 12.125 106.864 1.00 0.00 N ATOM 405 CA GLU A 26 -70.302 11.709 106.113 1.00 0.00 C ATOM 406 C GLU A 26 -71.528 11.483 107.010 1.00 0.00 C ATOM 407 O GLU A 26 -71.412 11.156 108.192 1.00 0.00 O ATOM 408 CB GLU A 26 -70.008 10.451 105.271 1.00 0.00 C ATOM 409 CG GLU A 26 -70.589 10.547 103.847 1.00 0.00 C ATOM 410 CD GLU A 26 -70.109 9.418 102.933 1.00 0.00 C ATOM 411 OE1 GLU A 26 -68.875 9.240 102.787 1.00 0.00 O ATOM 412 OE2 GLU A 26 -70.955 8.669 102.401 1.00 0.00 O ATOM 0 H GLU A 26 -68.455 11.365 107.040 1.00 0.00 H new ATOM 0 HA GLU A 26 -70.549 12.534 105.445 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -68.930 10.301 105.211 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -70.424 9.577 105.772 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -71.677 10.526 103.902 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -70.310 11.506 103.410 1.00 0.00 H new ATOM 419 N THR A 27 -72.714 11.613 106.416 1.00 0.00 N ATOM 420 CA THR A 27 -74.024 11.473 107.057 1.00 0.00 C ATOM 421 C THR A 27 -74.695 10.142 106.680 1.00 0.00 C ATOM 422 O THR A 27 -74.275 9.446 105.752 1.00 0.00 O ATOM 423 CB THR A 27 -74.924 12.646 106.626 1.00 0.00 C ATOM 424 OG1 THR A 27 -75.162 12.527 105.246 1.00 0.00 O ATOM 425 CG2 THR A 27 -74.334 14.029 106.909 1.00 0.00 C ATOM 0 H THR A 27 -72.792 11.830 105.422 1.00 0.00 H new ATOM 0 HA THR A 27 -73.882 11.482 108.138 1.00 0.00 H new ATOM 0 HB THR A 27 -75.838 12.580 107.216 1.00 0.00 H new ATOM 0 HG1 THR A 27 -75.096 13.410 104.825 1.00 0.00 H new ATOM 0 HG21 THR A 27 -75.031 14.797 106.575 1.00 0.00 H new ATOM 0 HG22 THR A 27 -74.159 14.138 107.979 1.00 0.00 H new ATOM 0 HG23 THR A 27 -73.390 14.138 106.374 1.00 0.00 H new ATOM 433 N GLN A 28 -75.809 9.810 107.348 1.00 0.00 N ATOM 434 CA GLN A 28 -76.729 8.751 106.900 1.00 0.00 C ATOM 435 C GLN A 28 -77.439 9.109 105.577 1.00 0.00 C ATOM 436 O GLN A 28 -77.744 8.221 104.788 1.00 0.00 O ATOM 437 CB GLN A 28 -77.733 8.363 108.010 1.00 0.00 C ATOM 438 CG GLN A 28 -78.263 9.483 108.927 1.00 0.00 C ATOM 439 CD GLN A 28 -78.808 10.690 108.175 1.00 0.00 C ATOM 440 OE1 GLN A 28 -78.071 11.608 107.845 1.00 0.00 O ATOM 441 NE2 GLN A 28 -80.083 10.720 107.840 1.00 0.00 N ATOM 0 H GLN A 28 -76.099 10.266 108.213 1.00 0.00 H new ATOM 0 HA GLN A 28 -76.120 7.871 106.693 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -78.590 7.887 107.534 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -77.260 7.610 108.641 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -79.050 9.077 109.562 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -77.459 9.811 109.586 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -80.700 9.956 108.114 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -80.452 11.508 107.307 1.00 0.00 H new ATOM 450 N HIS A 29 -77.619 10.406 105.296 1.00 0.00 N ATOM 451 CA HIS A 29 -78.014 10.973 104.002 1.00 0.00 C ATOM 452 C HIS A 29 -76.924 10.777 102.918 1.00 0.00 C ATOM 453 O HIS A 29 -77.177 11.001 101.736 1.00 0.00 O ATOM 454 CB HIS A 29 -78.381 12.452 104.267 1.00 0.00 C ATOM 455 CG HIS A 29 -78.821 13.304 103.100 1.00 0.00 C ATOM 456 ND1 HIS A 29 -78.622 14.665 102.990 1.00 0.00 N ATOM 457 CD2 HIS A 29 -79.557 12.906 102.015 1.00 0.00 C ATOM 458 CE1 HIS A 29 -79.220 15.070 101.857 1.00 0.00 C ATOM 459 NE2 HIS A 29 -79.799 14.035 101.229 1.00 0.00 N ATOM 0 H HIS A 29 -77.485 11.127 106.005 1.00 0.00 H new ATOM 0 HA HIS A 29 -78.877 10.453 103.587 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -79.179 12.468 105.009 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -77.514 12.933 104.721 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -78.114 15.256 103.648 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -79.890 11.900 101.805 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -79.233 16.089 101.500 1.00 0.00 H new ATOM 467 N GLY A 30 -75.716 10.325 103.288 1.00 0.00 N ATOM 468 CA GLY A 30 -74.597 10.065 102.383 1.00 0.00 C ATOM 469 C GLY A 30 -73.907 11.329 101.867 1.00 0.00 C ATOM 470 O GLY A 30 -72.997 11.224 101.049 1.00 0.00 O ATOM 0 H GLY A 30 -75.488 10.125 104.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -73.862 9.447 102.899 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -74.958 9.487 101.532 1.00 0.00 H new ATOM 474 N THR A 31 -74.350 12.510 102.295 1.00 0.00 N ATOM 475 CA THR A 31 -73.649 13.791 102.176 1.00 0.00 C ATOM 476 C THR A 31 -72.452 13.829 103.124 1.00 0.00 C ATOM 477 O THR A 31 -72.369 13.029 104.049 1.00 0.00 O ATOM 478 CB THR A 31 -74.605 14.935 102.552 1.00 0.00 C ATOM 479 OG1 THR A 31 -75.230 14.666 103.795 1.00 0.00 O ATOM 480 CG2 THR A 31 -75.680 15.104 101.486 1.00 0.00 C ATOM 0 H THR A 31 -75.254 12.606 102.758 1.00 0.00 H new ATOM 0 HA THR A 31 -73.305 13.906 101.148 1.00 0.00 H new ATOM 0 HB THR A 31 -74.020 15.852 102.627 1.00 0.00 H new ATOM 0 HG1 THR A 31 -76.116 15.084 103.813 1.00 0.00 H new ATOM 0 HG21 THR A 31 -76.348 15.918 101.768 1.00 0.00 H new ATOM 0 HG22 THR A 31 -75.211 15.335 100.530 1.00 0.00 H new ATOM 0 HG23 THR A 31 -76.252 14.180 101.396 1.00 0.00 H new ATOM 488 N THR A 32 -71.546 14.791 102.948 1.00 0.00 N ATOM 489 CA THR A 32 -70.457 15.070 103.886 1.00 0.00 C ATOM 490 C THR A 32 -70.519 16.518 104.361 1.00 0.00 C ATOM 491 O THR A 32 -70.978 17.399 103.632 1.00 0.00 O ATOM 492 CB THR A 32 -69.102 14.666 103.284 1.00 0.00 C ATOM 493 OG1 THR A 32 -68.128 14.631 104.296 1.00 0.00 O ATOM 494 CG2 THR A 32 -68.595 15.578 102.166 1.00 0.00 C ATOM 0 H THR A 32 -71.548 15.409 102.136 1.00 0.00 H new ATOM 0 HA THR A 32 -70.577 14.456 104.779 1.00 0.00 H new ATOM 0 HB THR A 32 -69.270 13.686 102.837 1.00 0.00 H new ATOM 0 HG1 THR A 32 -67.619 13.796 104.231 1.00 0.00 H new ATOM 0 HG21 THR A 32 -67.634 15.212 101.806 1.00 0.00 H new ATOM 0 HG22 THR A 32 -69.313 15.581 101.346 1.00 0.00 H new ATOM 0 HG23 THR A 32 -68.477 16.592 102.549 1.00 0.00 H new ATOM 502 N VAL A 33 -70.094 16.756 105.605 1.00 0.00 N ATOM 503 CA VAL A 33 -70.206 18.051 106.286 1.00 0.00 C ATOM 504 C VAL A 33 -68.812 18.645 106.479 1.00 0.00 C ATOM 505 O VAL A 33 -67.990 18.089 107.211 1.00 0.00 O ATOM 506 CB VAL A 33 -70.991 17.930 107.607 1.00 0.00 C ATOM 507 CG1 VAL A 33 -71.155 19.305 108.272 1.00 0.00 C ATOM 508 CG2 VAL A 33 -72.397 17.356 107.368 1.00 0.00 C ATOM 0 H VAL A 33 -69.653 16.039 106.180 1.00 0.00 H new ATOM 0 HA VAL A 33 -70.781 18.737 105.664 1.00 0.00 H new ATOM 0 HB VAL A 33 -70.421 17.262 108.252 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -71.712 19.195 109.202 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -70.172 19.726 108.485 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -71.697 19.971 107.601 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -72.926 17.283 108.318 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -72.949 18.013 106.695 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -72.314 16.365 106.921 1.00 0.00 H new ATOM 518 N VAL A 34 -68.551 19.764 105.792 1.00 0.00 N ATOM 519 CA VAL A 34 -67.239 20.419 105.696 1.00 0.00 C ATOM 520 C VAL A 34 -67.264 21.743 106.461 1.00 0.00 C ATOM 521 O VAL A 34 -68.025 22.640 106.102 1.00 0.00 O ATOM 522 CB VAL A 34 -66.824 20.665 104.223 1.00 0.00 C ATOM 523 CG1 VAL A 34 -65.292 20.719 104.151 1.00 0.00 C ATOM 524 CG2 VAL A 34 -67.346 19.606 103.241 1.00 0.00 C ATOM 0 H VAL A 34 -69.274 20.257 105.268 1.00 0.00 H new ATOM 0 HA VAL A 34 -66.500 19.752 106.139 1.00 0.00 H new ATOM 0 HB VAL A 34 -67.277 21.608 103.917 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -64.982 20.892 103.120 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -64.927 21.530 104.781 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -64.878 19.773 104.501 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -67.013 19.850 102.232 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -66.961 18.626 103.524 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -68.436 19.589 103.269 1.00 0.00 H new ATOM 534 N LYS A 35 -66.465 21.878 107.529 1.00 0.00 N ATOM 535 CA LYS A 35 -66.437 23.094 108.359 1.00 0.00 C ATOM 536 C LYS A 35 -65.297 24.002 107.903 1.00 0.00 C ATOM 537 O LYS A 35 -64.131 23.696 108.141 1.00 0.00 O ATOM 538 CB LYS A 35 -66.387 22.707 109.846 1.00 0.00 C ATOM 539 CG LYS A 35 -66.864 23.790 110.840 1.00 0.00 C ATOM 540 CD LYS A 35 -65.776 24.645 111.514 1.00 0.00 C ATOM 541 CE LYS A 35 -64.760 23.790 112.276 1.00 0.00 C ATOM 542 NZ LYS A 35 -63.726 24.572 112.999 1.00 0.00 N ATOM 0 H LYS A 35 -65.822 21.151 107.842 1.00 0.00 H new ATOM 0 HA LYS A 35 -67.351 23.675 108.233 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -66.996 21.815 109.990 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -65.361 22.437 110.097 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -67.543 24.460 110.312 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -67.444 23.300 111.622 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -65.258 25.234 110.757 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -66.244 25.350 112.201 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -65.293 23.165 112.992 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -64.266 23.119 111.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -62.851 24.014 113.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -63.537 25.456 112.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -64.065 24.795 113.957 1.00 0.00 H new ATOM 556 N VAL A 36 -65.636 25.086 107.202 1.00 0.00 N ATOM 557 CA VAL A 36 -64.681 26.094 106.710 1.00 0.00 C ATOM 558 C VAL A 36 -64.489 27.207 107.745 1.00 0.00 C ATOM 559 O VAL A 36 -65.322 27.366 108.640 1.00 0.00 O ATOM 560 CB VAL A 36 -65.124 26.694 105.349 1.00 0.00 C ATOM 561 CG1 VAL A 36 -65.677 25.621 104.401 1.00 0.00 C ATOM 562 CG2 VAL A 36 -66.169 27.815 105.459 1.00 0.00 C ATOM 0 H VAL A 36 -66.602 25.296 106.953 1.00 0.00 H new ATOM 0 HA VAL A 36 -63.728 25.588 106.554 1.00 0.00 H new ATOM 0 HB VAL A 36 -64.208 27.126 104.947 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -65.975 26.085 103.461 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -64.907 24.874 104.209 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -66.542 25.142 104.859 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -66.421 28.176 104.462 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -67.066 27.430 105.943 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -65.762 28.635 106.050 1.00 0.00 H new ATOM 572 N LYS A 37 -63.450 28.030 107.560 1.00 0.00 N ATOM 573 CA LYS A 37 -63.294 29.371 108.150 1.00 0.00 C ATOM 574 C LYS A 37 -62.534 30.263 107.154 1.00 0.00 C ATOM 575 O LYS A 37 -61.711 29.747 106.395 1.00 0.00 O ATOM 576 CB LYS A 37 -62.575 29.213 109.502 1.00 0.00 C ATOM 577 CG LYS A 37 -62.411 30.493 110.326 1.00 0.00 C ATOM 578 CD LYS A 37 -60.981 31.068 110.311 1.00 0.00 C ATOM 579 CE LYS A 37 -60.056 30.471 111.386 1.00 0.00 C ATOM 580 NZ LYS A 37 -59.309 29.275 110.935 1.00 0.00 N ATOM 0 H LYS A 37 -62.659 27.771 106.970 1.00 0.00 H new ATOM 0 HA LYS A 37 -64.252 29.856 108.340 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -63.124 28.486 110.101 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -61.586 28.793 109.319 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -63.099 31.248 109.947 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -62.699 30.289 111.357 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -60.540 30.894 109.329 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -61.033 32.148 110.450 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -59.345 31.233 111.704 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -60.652 30.207 112.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -58.599 29.019 111.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -59.969 28.482 110.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -58.833 29.482 110.034 1.00 0.00 H new ATOM 594 N TYR A 38 -62.830 31.569 107.101 1.00 0.00 N ATOM 595 CA TYR A 38 -62.249 32.476 106.094 1.00 0.00 C ATOM 596 C TYR A 38 -60.954 33.137 106.578 1.00 0.00 C ATOM 597 O TYR A 38 -60.889 33.652 107.690 1.00 0.00 O ATOM 598 CB TYR A 38 -63.269 33.544 105.666 1.00 0.00 C ATOM 599 CG TYR A 38 -62.755 34.497 104.594 1.00 0.00 C ATOM 600 CD1 TYR A 38 -62.160 33.979 103.428 1.00 0.00 C ATOM 601 CD2 TYR A 38 -62.881 35.894 104.738 1.00 0.00 C ATOM 602 CE1 TYR A 38 -61.724 34.828 102.401 1.00 0.00 C ATOM 603 CE2 TYR A 38 -62.451 36.757 103.708 1.00 0.00 C ATOM 604 CZ TYR A 38 -61.885 36.219 102.527 1.00 0.00 C ATOM 605 OH TYR A 38 -61.504 37.017 101.496 1.00 0.00 O ATOM 0 H TYR A 38 -63.473 32.026 107.748 1.00 0.00 H new ATOM 0 HA TYR A 38 -61.994 31.863 105.229 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -64.166 33.047 105.296 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -63.563 34.123 106.542 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -62.038 32.911 103.323 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -63.308 36.305 105.641 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -61.265 34.414 101.515 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -62.553 37.826 103.820 1.00 0.00 H new ATOM 0 HH TYR A 38 -62.275 37.194 100.917 1.00 0.00 H new ATOM 615 N GLU A 39 -59.918 33.180 105.735 1.00 0.00 N ATOM 616 CA GLU A 39 -58.569 33.610 106.135 1.00 0.00 C ATOM 617 C GLU A 39 -57.926 34.609 105.157 1.00 0.00 C ATOM 618 O GLU A 39 -56.781 35.002 105.357 1.00 0.00 O ATOM 619 CB GLU A 39 -57.688 32.366 106.361 1.00 0.00 C ATOM 620 CG GLU A 39 -58.278 31.453 107.453 1.00 0.00 C ATOM 621 CD GLU A 39 -57.321 30.365 107.943 1.00 0.00 C ATOM 622 OE1 GLU A 39 -56.460 29.922 107.146 1.00 0.00 O ATOM 623 OE2 GLU A 39 -57.491 29.953 109.115 1.00 0.00 O ATOM 0 H GLU A 39 -59.989 32.917 104.752 1.00 0.00 H new ATOM 0 HA GLU A 39 -58.658 34.163 107.070 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -57.596 31.809 105.429 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -56.683 32.677 106.647 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -58.578 32.067 108.302 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -59.181 30.980 107.067 1.00 0.00 H new ATOM 630 N GLY A 40 -58.644 35.034 104.107 1.00 0.00 N ATOM 631 CA GLY A 40 -58.076 35.824 103.017 1.00 0.00 C ATOM 632 C GLY A 40 -58.115 37.344 103.192 1.00 0.00 C ATOM 633 O GLY A 40 -57.192 38.010 102.730 1.00 0.00 O ATOM 0 H GLY A 40 -59.638 34.836 103.994 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -57.038 35.522 102.880 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -58.606 35.571 102.099 1.00 0.00 H new ATOM 637 N ALA A 41 -59.175 37.904 103.792 1.00 0.00 N ATOM 638 CA ALA A 41 -59.382 39.361 103.813 1.00 0.00 C ATOM 639 C ALA A 41 -60.196 39.908 105.004 1.00 0.00 C ATOM 640 O ALA A 41 -60.576 41.079 104.983 1.00 0.00 O ATOM 641 CB ALA A 41 -60.036 39.785 102.488 1.00 0.00 C ATOM 0 H ALA A 41 -59.902 37.371 104.269 1.00 0.00 H new ATOM 0 HA ALA A 41 -58.392 39.799 103.940 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -60.195 40.863 102.490 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -59.383 39.516 101.658 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -60.994 39.277 102.376 1.00 0.00 H new ATOM 647 N GLY A 42 -60.532 39.100 106.019 1.00 0.00 N ATOM 648 CA GLY A 42 -61.294 39.555 107.190 1.00 0.00 C ATOM 649 C GLY A 42 -62.801 39.728 106.954 1.00 0.00 C ATOM 650 O GLY A 42 -63.599 39.343 107.805 1.00 0.00 O ATOM 0 H GLY A 42 -60.283 38.111 106.051 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -61.148 38.841 108.000 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -60.882 40.507 107.526 1.00 0.00 H new ATOM 654 N ALA A 43 -63.179 40.317 105.816 1.00 0.00 N ATOM 655 CA ALA A 43 -64.534 40.693 105.410 1.00 0.00 C ATOM 656 C ALA A 43 -65.522 39.505 105.236 1.00 0.00 C ATOM 657 O ALA A 43 -65.093 38.349 105.197 1.00 0.00 O ATOM 658 CB ALA A 43 -64.372 41.487 104.105 1.00 0.00 C ATOM 0 H ALA A 43 -62.493 40.561 105.102 1.00 0.00 H new ATOM 0 HA ALA A 43 -64.994 41.279 106.205 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -65.352 41.800 103.745 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -63.755 42.367 104.289 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -63.894 40.859 103.354 1.00 0.00 H new ATOM 664 N PRO A 44 -66.846 39.766 105.112 1.00 0.00 N ATOM 665 CA PRO A 44 -67.843 38.755 104.742 1.00 0.00 C ATOM 666 C PRO A 44 -67.628 38.168 103.337 1.00 0.00 C ATOM 667 O PRO A 44 -66.970 38.772 102.490 1.00 0.00 O ATOM 668 CB PRO A 44 -69.212 39.455 104.793 1.00 0.00 C ATOM 669 CG PRO A 44 -68.964 40.757 105.547 1.00 0.00 C ATOM 670 CD PRO A 44 -67.495 41.059 105.279 1.00 0.00 C ATOM 0 HA PRO A 44 -67.765 37.916 105.434 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -69.594 39.647 103.790 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -69.951 38.838 105.304 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -69.609 41.558 105.185 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -69.161 40.646 106.613 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -67.379 41.673 104.386 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -67.053 41.614 106.106 1.00 0.00 H new ATOM 678 N CYS A 45 -68.266 37.025 103.066 1.00 0.00 N ATOM 679 CA CYS A 45 -68.198 36.287 101.805 1.00 0.00 C ATOM 680 C CYS A 45 -69.523 35.572 101.496 1.00 0.00 C ATOM 681 O CYS A 45 -70.188 35.096 102.416 1.00 0.00 O ATOM 682 CB CYS A 45 -67.112 35.206 101.943 1.00 0.00 C ATOM 683 SG CYS A 45 -65.439 35.769 102.317 1.00 0.00 S ATOM 0 H CYS A 45 -68.870 36.571 103.751 1.00 0.00 H new ATOM 0 HA CYS A 45 -67.982 36.994 101.004 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -67.420 34.515 102.727 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -67.079 34.639 101.013 1.00 0.00 H new ATOM 688 N LYS A 46 -69.804 35.312 100.207 1.00 0.00 N ATOM 689 CA LYS A 46 -70.154 33.941 99.808 1.00 0.00 C ATOM 690 C LYS A 46 -68.857 33.196 99.498 1.00 0.00 C ATOM 691 O LYS A 46 -67.929 33.800 98.949 1.00 0.00 O ATOM 692 CB LYS A 46 -71.192 33.840 98.679 1.00 0.00 C ATOM 693 CG LYS A 46 -70.750 34.257 97.267 1.00 0.00 C ATOM 694 CD LYS A 46 -71.637 33.630 96.177 1.00 0.00 C ATOM 695 CE LYS A 46 -73.138 33.724 96.490 1.00 0.00 C ATOM 696 NZ LYS A 46 -73.958 33.767 95.261 1.00 0.00 N ATOM 0 H LYS A 46 -69.797 36.000 99.454 1.00 0.00 H new ATOM 0 HA LYS A 46 -70.670 33.466 100.642 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -71.538 32.807 98.632 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -72.051 34.451 98.956 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -70.785 35.343 97.182 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -69.714 33.958 97.108 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -71.439 34.126 95.227 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -71.363 32.582 96.053 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -73.436 32.868 97.095 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -73.329 34.617 97.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -74.964 33.830 95.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -73.692 34.598 94.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -73.796 32.903 94.705 1.00 0.00 H new ATOM 710 N VAL A 47 -68.776 31.925 99.894 1.00 0.00 N ATOM 711 CA VAL A 47 -67.537 31.139 99.828 1.00 0.00 C ATOM 712 C VAL A 47 -67.587 30.225 98.594 1.00 0.00 C ATOM 713 O VAL A 47 -68.532 29.443 98.472 1.00 0.00 O ATOM 714 CB VAL A 47 -67.142 30.453 101.165 1.00 0.00 C ATOM 715 CG1 VAL A 47 -68.048 30.745 102.366 1.00 0.00 C ATOM 716 CG2 VAL A 47 -66.846 28.953 101.112 1.00 0.00 C ATOM 0 H VAL A 47 -69.570 31.407 100.271 1.00 0.00 H new ATOM 0 HA VAL A 47 -66.695 31.817 99.690 1.00 0.00 H new ATOM 0 HB VAL A 47 -66.191 30.961 101.327 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -67.675 30.213 103.241 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -68.052 31.816 102.567 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -69.063 30.413 102.145 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -66.584 28.598 102.109 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -67.729 28.420 100.758 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -66.015 28.770 100.431 1.00 0.00 H new ATOM 726 N PRO A 48 -66.636 30.343 97.642 1.00 0.00 N ATOM 727 CA PRO A 48 -66.622 29.506 96.446 1.00 0.00 C ATOM 728 C PRO A 48 -66.359 28.050 96.844 1.00 0.00 C ATOM 729 O PRO A 48 -65.282 27.756 97.362 1.00 0.00 O ATOM 730 CB PRO A 48 -65.514 30.050 95.529 1.00 0.00 C ATOM 731 CG PRO A 48 -64.916 31.248 96.265 1.00 0.00 C ATOM 732 CD PRO A 48 -65.417 31.140 97.698 1.00 0.00 C ATOM 0 HA PRO A 48 -67.578 29.531 95.923 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -64.756 29.290 95.338 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -65.918 30.347 94.561 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -63.827 31.227 96.228 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -65.232 32.186 95.809 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -64.671 30.667 98.337 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -65.616 32.127 98.117 1.00 0.00 H new ATOM 740 N ILE A 49 -67.330 27.156 96.615 1.00 0.00 N ATOM 741 CA ILE A 49 -67.180 25.713 96.835 1.00 0.00 C ATOM 742 C ILE A 49 -67.544 24.934 95.574 1.00 0.00 C ATOM 743 O ILE A 49 -68.635 25.091 95.028 1.00 0.00 O ATOM 744 CB ILE A 49 -67.957 25.213 98.080 1.00 0.00 C ATOM 745 CG1 ILE A 49 -67.327 25.867 99.330 1.00 0.00 C ATOM 746 CG2 ILE A 49 -67.946 23.673 98.178 1.00 0.00 C ATOM 747 CD1 ILE A 49 -67.631 25.227 100.693 1.00 0.00 C ATOM 0 H ILE A 49 -68.252 27.419 96.268 1.00 0.00 H new ATOM 0 HA ILE A 49 -66.128 25.525 97.051 1.00 0.00 H new ATOM 0 HB ILE A 49 -69.005 25.502 98.000 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -66.245 25.876 99.196 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -67.652 26.907 99.366 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -68.500 23.361 99.063 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -68.413 23.249 97.289 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -66.917 23.320 98.251 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -67.125 25.788 101.479 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -68.706 25.242 100.870 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -67.277 24.196 100.698 1.00 0.00 H new ATOM 759 N GLU A 50 -66.644 24.031 95.182 1.00 0.00 N ATOM 760 CA GLU A 50 -66.922 22.938 94.252 1.00 0.00 C ATOM 761 C GLU A 50 -66.539 21.594 94.886 1.00 0.00 C ATOM 762 O GLU A 50 -65.726 21.539 95.810 1.00 0.00 O ATOM 763 CB GLU A 50 -66.109 23.083 92.954 1.00 0.00 C ATOM 764 CG GLU A 50 -66.264 24.403 92.186 1.00 0.00 C ATOM 765 CD GLU A 50 -65.313 24.400 90.984 1.00 0.00 C ATOM 766 OE1 GLU A 50 -65.396 23.463 90.162 1.00 0.00 O ATOM 767 OE2 GLU A 50 -64.418 25.272 90.894 1.00 0.00 O ATOM 0 H GLU A 50 -65.679 24.041 95.511 1.00 0.00 H new ATOM 0 HA GLU A 50 -67.988 22.975 94.026 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -65.054 22.953 93.197 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -66.385 22.267 92.287 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -67.294 24.524 91.850 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -66.041 25.246 92.839 1.00 0.00 H new ATOM 774 N ILE A 51 -67.016 20.504 94.278 1.00 0.00 N ATOM 775 CA ILE A 51 -66.287 19.234 94.233 1.00 0.00 C ATOM 776 C ILE A 51 -66.123 18.875 92.767 1.00 0.00 C ATOM 777 O ILE A 51 -67.107 18.899 92.026 1.00 0.00 O ATOM 778 CB ILE A 51 -66.979 18.089 95.004 1.00 0.00 C ATOM 779 CG1 ILE A 51 -67.375 18.548 96.419 1.00 0.00 C ATOM 780 CG2 ILE A 51 -66.040 16.868 95.026 1.00 0.00 C ATOM 781 CD1 ILE A 51 -67.757 17.429 97.397 1.00 0.00 C ATOM 0 H ILE A 51 -67.918 20.478 93.803 1.00 0.00 H new ATOM 0 HA ILE A 51 -65.327 19.361 94.732 1.00 0.00 H new ATOM 0 HB ILE A 51 -67.904 17.804 94.502 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -66.544 19.110 96.845 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -68.216 19.236 96.336 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -66.517 16.052 95.568 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -65.831 16.552 94.004 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -65.107 17.136 95.521 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -68.018 17.863 98.362 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -68.611 16.878 97.004 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -66.913 16.750 97.521 1.00 0.00 H new ATOM 793 N ARG A 52 -64.895 18.535 92.371 1.00 0.00 N ATOM 794 CA ARG A 52 -64.533 18.086 91.033 1.00 0.00 C ATOM 795 C ARG A 52 -64.110 16.617 91.005 1.00 0.00 C ATOM 796 O ARG A 52 -63.844 15.992 92.035 1.00 0.00 O ATOM 797 CB ARG A 52 -63.422 18.972 90.463 1.00 0.00 C ATOM 798 CG ARG A 52 -63.838 20.441 90.323 1.00 0.00 C ATOM 799 CD ARG A 52 -62.725 21.154 89.564 1.00 0.00 C ATOM 800 NE ARG A 52 -62.925 22.600 89.530 1.00 0.00 N ATOM 801 CZ ARG A 52 -62.031 23.506 89.177 1.00 0.00 C ATOM 802 NH1 ARG A 52 -60.862 23.169 88.673 1.00 0.00 N ATOM 803 NH2 ARG A 52 -62.307 24.776 89.346 1.00 0.00 N ATOM 0 H ARG A 52 -64.095 18.568 93.003 1.00 0.00 H new ATOM 0 HA ARG A 52 -65.423 18.173 90.410 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -62.547 18.908 91.109 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -63.125 18.590 89.486 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -64.783 20.524 89.787 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -63.987 20.894 91.303 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -61.766 20.932 90.033 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -62.678 20.771 88.545 1.00 0.00 H new ATOM 0 HE ARG A 52 -63.845 22.944 89.806 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -60.626 22.185 88.546 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -60.192 23.892 88.410 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -63.203 25.054 89.746 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -61.626 25.486 89.078 1.00 0.00 H new ATOM 817 N ASP A 53 -64.081 16.091 89.783 1.00 0.00 N ATOM 818 CA ASP A 53 -63.582 14.773 89.417 1.00 0.00 C ATOM 819 C ASP A 53 -62.109 14.545 89.803 1.00 0.00 C ATOM 820 O ASP A 53 -61.396 15.465 90.206 1.00 0.00 O ATOM 821 CB ASP A 53 -63.830 14.557 87.910 1.00 0.00 C ATOM 822 CG ASP A 53 -63.112 15.510 86.936 1.00 0.00 C ATOM 823 OD1 ASP A 53 -62.591 16.576 87.342 1.00 0.00 O ATOM 824 OD2 ASP A 53 -63.120 15.166 85.734 1.00 0.00 O ATOM 0 H ASP A 53 -64.427 16.607 88.974 1.00 0.00 H new ATOM 0 HA ASP A 53 -64.130 14.026 89.992 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -63.537 13.537 87.662 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -64.902 14.634 87.729 1.00 0.00 H new ATOM 829 N VAL A 54 -61.630 13.301 89.663 1.00 0.00 N ATOM 830 CA VAL A 54 -60.252 12.913 90.015 1.00 0.00 C ATOM 831 C VAL A 54 -59.191 13.757 89.296 1.00 0.00 C ATOM 832 O VAL A 54 -58.184 14.131 89.904 1.00 0.00 O ATOM 833 CB VAL A 54 -60.011 11.401 89.835 1.00 0.00 C ATOM 834 CG1 VAL A 54 -60.913 10.599 90.786 1.00 0.00 C ATOM 835 CG2 VAL A 54 -60.236 10.902 88.401 1.00 0.00 C ATOM 0 H VAL A 54 -62.189 12.529 89.300 1.00 0.00 H new ATOM 0 HA VAL A 54 -60.140 13.129 91.077 1.00 0.00 H new ATOM 0 HB VAL A 54 -58.958 11.243 90.070 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -60.731 9.533 90.647 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -60.690 10.874 91.817 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -61.958 10.820 90.569 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -60.047 9.830 88.355 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -61.265 11.102 88.103 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -59.556 11.420 87.725 1.00 0.00 H new ATOM 845 N ASN A 55 -59.470 14.125 88.040 1.00 0.00 N ATOM 846 CA ASN A 55 -58.681 15.017 87.191 1.00 0.00 C ATOM 847 C ASN A 55 -58.781 16.509 87.583 1.00 0.00 C ATOM 848 O ASN A 55 -57.968 17.307 87.121 1.00 0.00 O ATOM 849 CB ASN A 55 -59.171 14.860 85.746 1.00 0.00 C ATOM 850 CG ASN A 55 -58.846 13.565 85.030 1.00 0.00 C ATOM 851 OD1 ASN A 55 -58.425 12.570 85.601 1.00 0.00 O ATOM 852 ND2 ASN A 55 -59.068 13.571 83.732 1.00 0.00 N ATOM 0 H ASN A 55 -60.305 13.785 87.563 1.00 0.00 H new ATOM 0 HA ASN A 55 -57.636 14.731 87.313 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -60.254 14.982 85.744 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -58.757 15.680 85.160 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -58.888 12.732 83.180 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -59.420 14.414 83.279 1.00 0.00 H new ATOM 859 N LYS A 56 -59.732 16.889 88.454 1.00 0.00 N ATOM 860 CA LYS A 56 -59.909 18.229 89.048 1.00 0.00 C ATOM 861 C LYS A 56 -60.318 19.304 88.023 1.00 0.00 C ATOM 862 O LYS A 56 -60.076 20.501 88.214 1.00 0.00 O ATOM 863 CB LYS A 56 -58.700 18.608 89.940 1.00 0.00 C ATOM 864 CG LYS A 56 -58.119 17.384 90.675 1.00 0.00 C ATOM 865 CD LYS A 56 -57.125 17.689 91.799 1.00 0.00 C ATOM 866 CE LYS A 56 -56.202 16.481 92.051 1.00 0.00 C ATOM 867 NZ LYS A 56 -56.931 15.190 92.158 1.00 0.00 N ATOM 0 H LYS A 56 -60.440 16.232 88.782 1.00 0.00 H new ATOM 0 HA LYS A 56 -60.770 18.182 89.715 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -57.924 19.063 89.325 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -59.008 19.357 90.670 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -58.946 16.809 91.093 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -57.625 16.745 89.943 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -56.527 18.561 91.536 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -57.666 17.937 92.712 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -55.476 16.413 91.241 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -55.640 16.649 92.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -56.277 14.447 92.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -57.707 15.285 92.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -57.320 14.933 91.228 1.00 0.00 H new ATOM 881 N GLU A 57 -60.996 18.873 86.956 1.00 0.00 N ATOM 882 CA GLU A 57 -61.386 19.660 85.775 1.00 0.00 C ATOM 883 C GLU A 57 -62.906 19.850 85.655 1.00 0.00 C ATOM 884 O GLU A 57 -63.331 20.861 85.098 1.00 0.00 O ATOM 885 CB GLU A 57 -60.831 19.014 84.481 1.00 0.00 C ATOM 886 CG GLU A 57 -61.111 17.506 84.435 1.00 0.00 C ATOM 887 CD GLU A 57 -60.920 16.822 83.076 1.00 0.00 C ATOM 888 OE1 GLU A 57 -61.835 16.982 82.235 1.00 0.00 O ATOM 889 OE2 GLU A 57 -59.989 15.994 82.938 1.00 0.00 O ATOM 0 H GLU A 57 -61.309 17.905 86.886 1.00 0.00 H new ATOM 0 HA GLU A 57 -60.949 20.650 85.908 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -61.281 19.494 83.612 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -59.757 19.187 84.420 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -60.462 17.015 85.160 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -62.137 17.338 84.762 1.00 0.00 H new ATOM 896 N LYS A 58 -63.726 18.922 86.176 1.00 0.00 N ATOM 897 CA LYS A 58 -65.184 18.916 85.973 1.00 0.00 C ATOM 898 C LYS A 58 -65.920 18.728 87.295 1.00 0.00 C ATOM 899 O LYS A 58 -65.571 17.849 88.081 1.00 0.00 O ATOM 900 CB LYS A 58 -65.582 17.816 84.973 1.00 0.00 C ATOM 901 CG LYS A 58 -64.990 18.064 83.574 1.00 0.00 C ATOM 902 CD LYS A 58 -65.431 17.036 82.523 1.00 0.00 C ATOM 903 CE LYS A 58 -65.132 15.565 82.859 1.00 0.00 C ATOM 904 NZ LYS A 58 -63.701 15.322 83.147 1.00 0.00 N ATOM 0 H LYS A 58 -63.393 18.150 86.754 1.00 0.00 H new ATOM 0 HA LYS A 58 -65.473 19.883 85.561 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -65.242 16.849 85.344 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -66.669 17.766 84.903 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -65.280 19.060 83.238 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -63.902 18.055 83.643 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -66.504 17.142 82.366 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -64.945 17.279 81.578 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -65.727 15.266 83.722 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -65.442 14.936 82.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -63.502 14.303 83.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -63.116 15.834 82.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -63.478 15.658 84.106 1.00 0.00 H new ATOM 918 N VAL A 59 -66.940 19.561 87.528 1.00 0.00 N ATOM 919 CA VAL A 59 -67.759 19.577 88.748 1.00 0.00 C ATOM 920 C VAL A 59 -68.594 18.293 88.864 1.00 0.00 C ATOM 921 O VAL A 59 -69.227 17.869 87.899 1.00 0.00 O ATOM 922 CB VAL A 59 -68.690 20.813 88.802 1.00 0.00 C ATOM 923 CG1 VAL A 59 -69.094 21.098 90.256 1.00 0.00 C ATOM 924 CG2 VAL A 59 -68.049 22.090 88.234 1.00 0.00 C ATOM 0 H VAL A 59 -67.229 20.267 86.851 1.00 0.00 H new ATOM 0 HA VAL A 59 -67.071 19.634 89.591 1.00 0.00 H new ATOM 0 HB VAL A 59 -69.552 20.564 88.183 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -69.749 21.969 90.288 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -69.619 20.234 90.664 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -68.201 21.294 90.850 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -68.758 22.915 88.304 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -67.153 22.332 88.805 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -67.781 21.929 87.190 1.00 0.00 H new ATOM 934 N VAL A 60 -68.610 17.689 90.057 1.00 0.00 N ATOM 935 CA VAL A 60 -69.290 16.420 90.375 1.00 0.00 C ATOM 936 C VAL A 60 -70.110 16.454 91.670 1.00 0.00 C ATOM 937 O VAL A 60 -70.853 15.502 91.922 1.00 0.00 O ATOM 938 CB VAL A 60 -68.289 15.245 90.440 1.00 0.00 C ATOM 939 CG1 VAL A 60 -67.632 14.973 89.084 1.00 0.00 C ATOM 940 CG2 VAL A 60 -67.201 15.484 91.495 1.00 0.00 C ATOM 0 H VAL A 60 -68.130 18.085 90.865 1.00 0.00 H new ATOM 0 HA VAL A 60 -69.992 16.270 89.555 1.00 0.00 H new ATOM 0 HB VAL A 60 -68.871 14.368 90.725 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -66.936 14.139 89.178 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -68.400 14.725 88.351 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -67.092 15.861 88.757 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -66.517 14.636 91.510 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -66.649 16.391 91.249 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -67.663 15.595 92.476 1.00 0.00 H new ATOM 950 N GLY A 61 -70.020 17.517 92.482 1.00 0.00 N ATOM 951 CA GLY A 61 -70.743 17.639 93.754 1.00 0.00 C ATOM 952 C GLY A 61 -72.001 18.518 93.695 1.00 0.00 C ATOM 953 O GLY A 61 -72.153 19.332 92.786 1.00 0.00 O ATOM 0 H GLY A 61 -69.436 18.326 92.270 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -71.028 16.642 94.091 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -70.065 18.048 94.504 1.00 0.00 H new ATOM 957 N ARG A 62 -72.871 18.394 94.709 1.00 0.00 N ATOM 958 CA ARG A 62 -74.062 19.239 94.937 1.00 0.00 C ATOM 959 C ARG A 62 -74.050 19.804 96.361 1.00 0.00 C ATOM 960 O ARG A 62 -74.146 19.045 97.324 1.00 0.00 O ATOM 961 CB ARG A 62 -75.354 18.434 94.692 1.00 0.00 C ATOM 962 CG ARG A 62 -75.610 18.094 93.212 1.00 0.00 C ATOM 963 CD ARG A 62 -76.107 16.650 93.011 1.00 0.00 C ATOM 964 NE ARG A 62 -75.090 15.650 93.388 1.00 0.00 N ATOM 965 CZ ARG A 62 -73.918 15.423 92.823 1.00 0.00 C ATOM 966 NH1 ARG A 62 -73.527 15.998 91.715 1.00 0.00 N ATOM 967 NH2 ARG A 62 -73.078 14.612 93.401 1.00 0.00 N ATOM 0 H ARG A 62 -72.763 17.674 95.424 1.00 0.00 H new ATOM 0 HA ARG A 62 -74.034 20.069 94.231 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -75.306 17.507 95.264 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -76.202 19.002 95.075 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -76.347 18.787 92.806 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -74.690 18.239 92.646 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -77.007 16.492 93.606 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -76.385 16.506 91.967 1.00 0.00 H new ATOM 0 HE ARG A 62 -75.321 15.059 94.186 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -74.140 16.661 91.241 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -72.609 15.783 91.325 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -73.328 14.160 94.280 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -72.170 14.429 92.974 1.00 0.00 H new ATOM 981 N ILE A 63 -73.890 21.123 96.508 1.00 0.00 N ATOM 982 CA ILE A 63 -73.893 21.803 97.812 1.00 0.00 C ATOM 983 C ILE A 63 -75.320 21.836 98.383 1.00 0.00 C ATOM 984 O ILE A 63 -76.188 22.516 97.841 1.00 0.00 O ATOM 985 CB ILE A 63 -73.271 23.224 97.768 1.00 0.00 C ATOM 986 CG1 ILE A 63 -72.134 23.444 96.736 1.00 0.00 C ATOM 987 CG2 ILE A 63 -72.725 23.506 99.178 1.00 0.00 C ATOM 988 CD1 ILE A 63 -72.643 23.913 95.366 1.00 0.00 C ATOM 0 H ILE A 63 -73.753 21.756 95.720 1.00 0.00 H new ATOM 0 HA ILE A 63 -73.252 21.223 98.476 1.00 0.00 H new ATOM 0 HB ILE A 63 -74.061 23.903 97.446 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -71.434 24.182 97.128 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -71.580 22.514 96.611 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -72.274 24.498 99.202 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -73.540 23.460 99.900 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -71.973 22.760 99.433 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -71.798 24.048 94.691 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -73.321 23.165 94.954 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -73.172 24.859 95.479 1.00 0.00 H new ATOM 1000 N ILE A 64 -75.573 21.065 99.447 1.00 0.00 N ATOM 1001 CA ILE A 64 -76.908 20.890 100.037 1.00 0.00 C ATOM 1002 C ILE A 64 -77.229 22.026 101.014 1.00 0.00 C ATOM 1003 O ILE A 64 -78.343 22.545 101.014 1.00 0.00 O ATOM 1004 CB ILE A 64 -77.011 19.502 100.709 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -76.675 18.349 99.734 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -78.392 19.271 101.345 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -77.432 18.351 98.397 1.00 0.00 C ATOM 0 H ILE A 64 -74.846 20.537 99.930 1.00 0.00 H new ATOM 0 HA ILE A 64 -77.655 20.934 99.244 1.00 0.00 H new ATOM 0 HB ILE A 64 -76.263 19.499 101.502 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -75.606 18.379 99.523 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -76.874 17.404 100.239 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -78.420 18.283 101.806 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -78.574 20.031 102.105 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -79.162 19.335 100.576 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -77.114 17.498 97.798 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -78.503 18.283 98.585 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -77.216 19.273 97.858 1.00 0.00 H new ATOM 1019 N SER A 65 -76.235 22.480 101.785 1.00 0.00 N ATOM 1020 CA SER A 65 -76.287 23.630 102.701 1.00 0.00 C ATOM 1021 C SER A 65 -76.437 25.005 102.001 1.00 0.00 C ATOM 1022 O SER A 65 -75.955 26.016 102.523 1.00 0.00 O ATOM 1023 CB SER A 65 -75.033 23.563 103.578 1.00 0.00 C ATOM 1024 OG SER A 65 -74.963 24.649 104.470 1.00 0.00 O ATOM 0 H SER A 65 -75.319 22.031 101.788 1.00 0.00 H new ATOM 0 HA SER A 65 -77.194 23.556 103.302 1.00 0.00 H new ATOM 0 HB2 SER A 65 -75.032 22.629 104.141 1.00 0.00 H new ATOM 0 HB3 SER A 65 -74.146 23.555 102.945 1.00 0.00 H new ATOM 0 HG SER A 65 -75.207 25.474 104.001 1.00 0.00 H new ATOM 1030 N SER A 66 -77.104 25.057 100.839 1.00 0.00 N ATOM 1031 CA SER A 66 -77.174 26.193 99.912 1.00 0.00 C ATOM 1032 C SER A 66 -75.788 26.662 99.424 1.00 0.00 C ATOM 1033 O SER A 66 -74.769 26.018 99.671 1.00 0.00 O ATOM 1034 CB SER A 66 -78.009 27.322 100.536 1.00 0.00 C ATOM 1035 OG SER A 66 -78.395 28.270 99.556 1.00 0.00 O ATOM 0 H SER A 66 -77.641 24.258 100.502 1.00 0.00 H new ATOM 0 HA SER A 66 -77.680 25.860 99.006 1.00 0.00 H new ATOM 0 HB2 SER A 66 -78.896 26.903 101.011 1.00 0.00 H new ATOM 0 HB3 SER A 66 -77.432 27.816 101.318 1.00 0.00 H new ATOM 0 HG SER A 66 -78.927 28.978 99.977 1.00 0.00 H new ATOM 1041 N THR A 67 -75.748 27.772 98.682 1.00 0.00 N ATOM 1042 CA THR A 67 -74.513 28.449 98.270 1.00 0.00 C ATOM 1043 C THR A 67 -73.814 29.035 99.516 1.00 0.00 C ATOM 1044 O THR A 67 -74.373 29.948 100.128 1.00 0.00 O ATOM 1045 CB THR A 67 -74.788 29.547 97.235 1.00 0.00 C ATOM 1046 OG1 THR A 67 -75.584 29.042 96.185 1.00 0.00 O ATOM 1047 CG2 THR A 67 -73.486 30.051 96.608 1.00 0.00 C ATOM 0 H THR A 67 -76.591 28.236 98.343 1.00 0.00 H new ATOM 0 HA THR A 67 -73.858 27.719 97.794 1.00 0.00 H new ATOM 0 HB THR A 67 -75.296 30.358 97.757 1.00 0.00 H new ATOM 0 HG1 THR A 67 -75.754 29.753 95.532 1.00 0.00 H new ATOM 0 HG21 THR A 67 -73.711 30.829 95.878 1.00 0.00 H new ATOM 0 HG22 THR A 67 -72.842 30.459 97.386 1.00 0.00 H new ATOM 0 HG23 THR A 67 -72.977 29.224 96.112 1.00 0.00 H new ATOM 1055 N PRO A 68 -72.640 28.510 99.929 1.00 0.00 N ATOM 1056 CA PRO A 68 -71.988 28.833 101.204 1.00 0.00 C ATOM 1057 C PRO A 68 -71.715 30.320 101.448 1.00 0.00 C ATOM 1058 O PRO A 68 -71.433 31.069 100.512 1.00 0.00 O ATOM 1059 CB PRO A 68 -70.652 28.091 101.157 1.00 0.00 C ATOM 1060 CG PRO A 68 -70.955 26.881 100.292 1.00 0.00 C ATOM 1061 CD PRO A 68 -71.880 27.473 99.243 1.00 0.00 C ATOM 0 HA PRO A 68 -72.655 28.542 102.016 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -69.864 28.708 100.724 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -70.318 27.800 102.153 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -70.053 26.458 99.850 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -71.436 26.084 100.858 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -71.313 27.889 98.410 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -72.541 26.712 98.829 1.00 0.00 H new ATOM 1069 N LEU A 69 -71.660 30.723 102.725 1.00 0.00 N ATOM 1070 CA LEU A 69 -71.276 32.077 103.137 1.00 0.00 C ATOM 1071 C LEU A 69 -70.410 32.119 104.405 1.00 0.00 C ATOM 1072 O LEU A 69 -70.289 31.126 105.124 1.00 0.00 O ATOM 1073 CB LEU A 69 -72.541 32.951 103.247 1.00 0.00 C ATOM 1074 CG LEU A 69 -73.502 32.530 104.382 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -73.721 33.688 105.358 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -74.854 32.088 103.819 1.00 0.00 C ATOM 0 H LEU A 69 -71.884 30.110 103.509 1.00 0.00 H new ATOM 0 HA LEU A 69 -70.626 32.489 102.365 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -72.241 33.987 103.405 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -73.078 32.915 102.299 1.00 0.00 H new ATOM 0 HG LEU A 69 -73.044 31.692 104.908 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -74.400 33.373 106.150 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -72.766 33.982 105.794 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -74.153 34.536 104.826 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -75.512 31.797 104.638 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -75.305 32.912 103.267 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -74.710 31.239 103.150 1.00 0.00 H new ATOM 1088 N ALA A 70 -69.821 33.288 104.667 1.00 0.00 N ATOM 1089 CA ALA A 70 -69.090 33.628 105.887 1.00 0.00 C ATOM 1090 C ALA A 70 -69.355 35.100 106.239 1.00 0.00 C ATOM 1091 O ALA A 70 -69.461 35.940 105.346 1.00 0.00 O ATOM 1092 CB ALA A 70 -67.591 33.372 105.672 1.00 0.00 C ATOM 0 H ALA A 70 -69.843 34.060 104.001 1.00 0.00 H new ATOM 0 HA ALA A 70 -69.428 33.006 106.716 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -67.045 33.625 106.581 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -67.432 32.320 105.434 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -67.231 33.989 104.849 1.00 0.00 H new ATOM 1098 N GLU A 71 -69.455 35.431 107.531 1.00 0.00 N ATOM 1099 CA GLU A 71 -69.800 36.786 107.984 1.00 0.00 C ATOM 1100 C GLU A 71 -68.574 37.645 108.341 1.00 0.00 C ATOM 1101 O GLU A 71 -68.678 38.874 108.379 1.00 0.00 O ATOM 1102 CB GLU A 71 -70.779 36.686 109.168 1.00 0.00 C ATOM 1103 CG GLU A 71 -72.176 36.190 108.755 1.00 0.00 C ATOM 1104 CD GLU A 71 -72.930 37.157 107.831 1.00 0.00 C ATOM 1105 OE1 GLU A 71 -72.552 38.351 107.770 1.00 0.00 O ATOM 1106 OE2 GLU A 71 -73.911 36.710 107.198 1.00 0.00 O ATOM 0 H GLU A 71 -69.300 34.770 108.292 1.00 0.00 H new ATOM 0 HA GLU A 71 -70.276 37.302 107.150 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -70.367 36.010 109.917 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -70.872 37.665 109.639 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -72.076 35.227 108.254 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -72.771 36.022 109.652 1.00 0.00 H new ATOM 1113 N ASN A 72 -67.418 37.017 108.577 1.00 0.00 N ATOM 1114 CA ASN A 72 -66.091 37.592 108.811 1.00 0.00 C ATOM 1115 C ASN A 72 -65.055 36.453 108.801 1.00 0.00 C ATOM 1116 O ASN A 72 -65.436 35.281 108.819 1.00 0.00 O ATOM 1117 CB ASN A 72 -66.074 38.329 110.174 1.00 0.00 C ATOM 1118 CG ASN A 72 -65.828 39.823 110.034 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -64.920 40.383 110.624 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -66.653 40.509 109.273 1.00 0.00 N ATOM 0 H ASN A 72 -67.385 35.998 108.612 1.00 0.00 H new ATOM 0 HA ASN A 72 -65.848 38.312 108.029 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -67.026 38.168 110.681 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -65.299 37.896 110.806 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -66.536 41.517 109.173 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -67.410 40.033 108.783 1.00 0.00 H new ATOM 1127 N THR A 73 -63.756 36.770 108.876 1.00 0.00 N ATOM 1128 CA THR A 73 -62.705 35.761 109.102 1.00 0.00 C ATOM 1129 C THR A 73 -63.000 34.891 110.319 1.00 0.00 C ATOM 1130 O THR A 73 -62.937 33.673 110.224 1.00 0.00 O ATOM 1131 CB THR A 73 -61.297 36.387 109.158 1.00 0.00 C ATOM 1132 OG1 THR A 73 -60.741 36.254 107.871 1.00 0.00 O ATOM 1133 CG2 THR A 73 -60.288 35.749 110.120 1.00 0.00 C ATOM 0 H THR A 73 -63.403 37.722 108.783 1.00 0.00 H new ATOM 0 HA THR A 73 -62.714 35.100 108.235 1.00 0.00 H new ATOM 0 HB THR A 73 -61.452 37.405 109.516 1.00 0.00 H new ATOM 0 HG1 THR A 73 -60.448 35.329 107.735 1.00 0.00 H new ATOM 0 HG21 THR A 73 -59.340 36.284 110.061 1.00 0.00 H new ATOM 0 HG22 THR A 73 -60.672 35.803 111.139 1.00 0.00 H new ATOM 0 HG23 THR A 73 -60.133 34.706 109.845 1.00 0.00 H new ATOM 1141 N ASN A 74 -63.400 35.489 111.441 1.00 0.00 N ATOM 1142 CA ASN A 74 -63.747 34.778 112.672 1.00 0.00 C ATOM 1143 C ASN A 74 -65.013 33.894 112.556 1.00 0.00 C ATOM 1144 O ASN A 74 -65.354 33.208 113.516 1.00 0.00 O ATOM 1145 CB ASN A 74 -63.876 35.815 113.804 1.00 0.00 C ATOM 1146 CG ASN A 74 -62.641 36.703 113.916 1.00 0.00 C ATOM 1147 OD1 ASN A 74 -62.428 37.590 113.104 1.00 0.00 O ATOM 1148 ND2 ASN A 74 -61.786 36.481 114.892 1.00 0.00 N ATOM 0 H ASN A 74 -63.494 36.501 111.522 1.00 0.00 H new ATOM 0 HA ASN A 74 -62.947 34.070 112.890 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -64.753 36.437 113.626 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -64.037 35.299 114.750 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -60.943 37.050 114.971 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -61.966 35.740 115.569 1.00 0.00 H new ATOM 1155 N SER A 75 -65.714 33.896 111.409 1.00 0.00 N ATOM 1156 CA SER A 75 -66.861 33.021 111.144 1.00 0.00 C ATOM 1157 C SER A 75 -66.418 31.679 110.566 1.00 0.00 C ATOM 1158 O SER A 75 -65.845 31.617 109.476 1.00 0.00 O ATOM 1159 CB SER A 75 -67.829 33.670 110.156 1.00 0.00 C ATOM 1160 OG SER A 75 -68.182 34.948 110.629 1.00 0.00 O ATOM 0 H SER A 75 -65.493 34.517 110.630 1.00 0.00 H new ATOM 0 HA SER A 75 -67.358 32.860 112.101 1.00 0.00 H new ATOM 0 HB2 SER A 75 -67.366 33.748 109.172 1.00 0.00 H new ATOM 0 HB3 SER A 75 -68.720 33.052 110.041 1.00 0.00 H new ATOM 0 HG SER A 75 -68.979 34.879 111.196 1.00 0.00 H new ATOM 1166 N VAL A 76 -66.742 30.600 111.279 1.00 0.00 N ATOM 1167 CA VAL A 76 -66.796 29.257 110.698 1.00 0.00 C ATOM 1168 C VAL A 76 -68.106 29.043 109.926 1.00 0.00 C ATOM 1169 O VAL A 76 -69.123 29.651 110.265 1.00 0.00 O ATOM 1170 CB VAL A 76 -66.660 28.168 111.779 1.00 0.00 C ATOM 1171 CG1 VAL A 76 -65.260 28.161 112.404 1.00 0.00 C ATOM 1172 CG2 VAL A 76 -67.700 28.265 112.907 1.00 0.00 C ATOM 0 H VAL A 76 -66.974 30.631 112.272 1.00 0.00 H new ATOM 0 HA VAL A 76 -65.955 29.175 110.010 1.00 0.00 H new ATOM 0 HB VAL A 76 -66.841 27.236 111.244 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -65.204 27.379 113.162 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -64.517 27.970 111.630 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -65.063 29.129 112.866 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -67.534 27.462 113.625 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -67.603 29.227 113.410 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -68.702 28.174 112.487 1.00 0.00 H new ATOM 1182 N THR A 77 -68.112 28.112 108.962 1.00 0.00 N ATOM 1183 CA THR A 77 -69.345 27.657 108.289 1.00 0.00 C ATOM 1184 C THR A 77 -69.288 26.152 108.004 1.00 0.00 C ATOM 1185 O THR A 77 -68.403 25.691 107.286 1.00 0.00 O ATOM 1186 CB THR A 77 -69.653 28.430 106.985 1.00 0.00 C ATOM 1187 OG1 THR A 77 -69.273 29.788 107.046 1.00 0.00 O ATOM 1188 CG2 THR A 77 -71.160 28.403 106.717 1.00 0.00 C ATOM 0 H THR A 77 -67.267 27.652 108.625 1.00 0.00 H new ATOM 0 HA THR A 77 -70.159 27.867 108.982 1.00 0.00 H new ATOM 0 HB THR A 77 -69.082 27.938 106.198 1.00 0.00 H new ATOM 0 HG1 THR A 77 -69.944 30.336 106.588 1.00 0.00 H new ATOM 0 HG21 THR A 77 -71.376 28.948 105.798 1.00 0.00 H new ATOM 0 HG22 THR A 77 -71.493 27.370 106.613 1.00 0.00 H new ATOM 0 HG23 THR A 77 -71.686 28.872 107.549 1.00 0.00 H new ATOM 1196 N ASN A 78 -70.221 25.376 108.571 1.00 0.00 N ATOM 1197 CA ASN A 78 -70.367 23.932 108.346 1.00 0.00 C ATOM 1198 C ASN A 78 -71.318 23.625 107.174 1.00 0.00 C ATOM 1199 O ASN A 78 -72.534 23.773 107.290 1.00 0.00 O ATOM 1200 CB ASN A 78 -70.748 23.214 109.659 1.00 0.00 C ATOM 1201 CG ASN A 78 -71.824 23.892 110.500 1.00 0.00 C ATOM 1202 OD1 ASN A 78 -71.625 24.170 111.670 1.00 0.00 O ATOM 1203 ND2 ASN A 78 -72.973 24.194 109.936 1.00 0.00 N ATOM 0 H ASN A 78 -70.916 25.747 109.219 1.00 0.00 H new ATOM 0 HA ASN A 78 -69.401 23.529 108.040 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -71.086 22.207 109.415 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -69.850 23.110 110.268 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -73.700 24.662 110.478 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -73.137 23.960 108.957 1.00 0.00 H new ATOM 1210 N ILE A 79 -70.750 23.205 106.041 1.00 0.00 N ATOM 1211 CA ILE A 79 -71.428 23.004 104.760 1.00 0.00 C ATOM 1212 C ILE A 79 -71.703 21.513 104.525 1.00 0.00 C ATOM 1213 O ILE A 79 -70.776 20.747 104.262 1.00 0.00 O ATOM 1214 CB ILE A 79 -70.565 23.616 103.628 1.00 0.00 C ATOM 1215 CG1 ILE A 79 -70.255 25.116 103.850 1.00 0.00 C ATOM 1216 CG2 ILE A 79 -71.198 23.411 102.240 1.00 0.00 C ATOM 1217 CD1 ILE A 79 -71.483 26.016 104.059 1.00 0.00 C ATOM 0 H ILE A 79 -69.755 22.985 105.991 1.00 0.00 H new ATOM 0 HA ILE A 79 -72.394 23.509 104.770 1.00 0.00 H new ATOM 0 HB ILE A 79 -69.620 23.073 103.662 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -69.603 25.211 104.719 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -69.696 25.486 102.990 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -70.558 23.856 101.479 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -71.307 22.344 102.044 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -72.178 23.887 102.213 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -71.158 27.046 104.206 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -72.128 25.960 103.182 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -72.034 25.681 104.938 1.00 0.00 H new ATOM 1229 N GLU A 80 -72.977 21.102 104.601 1.00 0.00 N ATOM 1230 CA GLU A 80 -73.446 19.833 104.028 1.00 0.00 C ATOM 1231 C GLU A 80 -73.370 19.864 102.489 1.00 0.00 C ATOM 1232 O GLU A 80 -73.904 20.768 101.836 1.00 0.00 O ATOM 1233 CB GLU A 80 -74.877 19.495 104.491 1.00 0.00 C ATOM 1234 CG GLU A 80 -75.227 18.053 104.071 1.00 0.00 C ATOM 1235 CD GLU A 80 -76.649 17.584 104.406 1.00 0.00 C ATOM 1236 OE1 GLU A 80 -77.499 18.422 104.766 1.00 0.00 O ATOM 1237 OE2 GLU A 80 -76.875 16.355 104.241 1.00 0.00 O ATOM 0 H GLU A 80 -73.711 21.640 105.062 1.00 0.00 H new ATOM 0 HA GLU A 80 -72.784 19.047 104.392 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -74.954 19.599 105.573 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -75.588 20.195 104.052 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -75.079 17.963 102.995 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -74.520 17.374 104.548 1.00 0.00 H new ATOM 1244 N LEU A 81 -72.701 18.861 101.918 1.00 0.00 N ATOM 1245 CA LEU A 81 -72.294 18.791 100.519 1.00 0.00 C ATOM 1246 C LEU A 81 -72.329 17.331 100.026 1.00 0.00 C ATOM 1247 O LEU A 81 -71.965 16.416 100.760 1.00 0.00 O ATOM 1248 CB LEU A 81 -70.893 19.428 100.502 1.00 0.00 C ATOM 1249 CG LEU A 81 -70.084 19.382 99.203 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -70.798 20.013 98.012 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -68.781 20.156 99.444 1.00 0.00 C ATOM 0 H LEU A 81 -72.416 18.037 102.447 1.00 0.00 H new ATOM 0 HA LEU A 81 -72.957 19.320 99.834 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -71.001 20.474 100.788 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -70.300 18.945 101.279 1.00 0.00 H new ATOM 0 HG LEU A 81 -69.921 18.333 98.955 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -70.164 19.943 97.128 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -71.735 19.487 97.829 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -71.007 21.061 98.226 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -68.177 20.144 98.536 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -69.014 21.187 99.711 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -68.225 19.688 100.256 1.00 0.00 H new ATOM 1263 N GLU A 82 -72.775 17.099 98.788 1.00 0.00 N ATOM 1264 CA GLU A 82 -73.028 15.769 98.219 1.00 0.00 C ATOM 1265 C GLU A 82 -72.013 15.452 97.096 1.00 0.00 C ATOM 1266 O GLU A 82 -72.216 15.890 95.964 1.00 0.00 O ATOM 1267 CB GLU A 82 -74.507 15.701 97.779 1.00 0.00 C ATOM 1268 CG GLU A 82 -75.154 14.303 97.817 1.00 0.00 C ATOM 1269 CD GLU A 82 -75.079 13.485 96.522 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -74.598 13.998 95.487 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -75.483 12.298 96.580 1.00 0.00 O ATOM 0 H GLU A 82 -72.977 17.854 98.133 1.00 0.00 H new ATOM 0 HA GLU A 82 -72.874 14.986 98.962 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -75.087 16.367 98.418 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -74.582 16.088 96.763 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -74.680 13.728 98.613 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -76.203 14.419 98.088 1.00 0.00 H new ATOM 1278 N PRO A 83 -70.886 14.763 97.391 1.00 0.00 N ATOM 1279 CA PRO A 83 -69.920 14.272 96.394 1.00 0.00 C ATOM 1280 C PRO A 83 -70.450 13.069 95.588 1.00 0.00 C ATOM 1281 O PRO A 83 -71.455 12.472 95.969 1.00 0.00 O ATOM 1282 CB PRO A 83 -68.673 13.868 97.199 1.00 0.00 C ATOM 1283 CG PRO A 83 -69.175 13.627 98.618 1.00 0.00 C ATOM 1284 CD PRO A 83 -70.410 14.505 98.742 1.00 0.00 C ATOM 0 HA PRO A 83 -69.714 15.046 95.655 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -68.212 12.971 96.787 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -67.918 14.654 97.176 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -69.417 12.577 98.780 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -68.421 13.897 99.357 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -71.179 14.008 99.333 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -70.170 15.438 99.251 1.00 0.00 H new ATOM 1292 N PRO A 84 -69.777 12.631 94.506 1.00 0.00 N ATOM 1293 CA PRO A 84 -70.102 11.376 93.823 1.00 0.00 C ATOM 1294 C PRO A 84 -69.705 10.151 94.666 1.00 0.00 C ATOM 1295 O PRO A 84 -68.890 10.248 95.584 1.00 0.00 O ATOM 1296 CB PRO A 84 -69.301 11.425 92.518 1.00 0.00 C ATOM 1297 CG PRO A 84 -68.056 12.209 92.923 1.00 0.00 C ATOM 1298 CD PRO A 84 -68.624 13.259 93.878 1.00 0.00 C ATOM 0 HA PRO A 84 -71.174 11.277 93.650 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -69.052 10.427 92.157 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -69.853 11.924 91.722 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -67.317 11.574 93.411 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -67.566 12.665 92.063 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -67.884 13.554 94.622 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -68.913 14.162 93.341 1.00 0.00 H new ATOM 1306 N PHE A 85 -70.240 8.972 94.329 1.00 0.00 N ATOM 1307 CA PHE A 85 -69.835 7.691 94.921 1.00 0.00 C ATOM 1308 C PHE A 85 -68.474 7.220 94.369 1.00 0.00 C ATOM 1309 O PHE A 85 -68.394 6.277 93.584 1.00 0.00 O ATOM 1310 CB PHE A 85 -70.949 6.648 94.737 1.00 0.00 C ATOM 1311 CG PHE A 85 -72.205 6.944 95.537 1.00 0.00 C ATOM 1312 CD1 PHE A 85 -72.208 6.754 96.933 1.00 0.00 C ATOM 1313 CD2 PHE A 85 -73.371 7.405 94.895 1.00 0.00 C ATOM 1314 CE1 PHE A 85 -73.366 7.027 97.684 1.00 0.00 C ATOM 1315 CE2 PHE A 85 -74.531 7.674 95.645 1.00 0.00 C ATOM 1316 CZ PHE A 85 -74.529 7.485 97.038 1.00 0.00 C ATOM 0 H PHE A 85 -70.976 8.879 93.629 1.00 0.00 H new ATOM 0 HA PHE A 85 -69.691 7.827 95.993 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -71.208 6.590 93.680 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -70.568 5.669 95.026 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -71.317 6.397 97.429 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -73.375 7.552 93.825 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -73.362 6.885 98.755 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -75.424 8.026 95.150 1.00 0.00 H new ATOM 0 HZ PHE A 85 -75.420 7.691 97.612 1.00 0.00 H new ATOM 1326 N GLY A 86 -67.399 7.896 94.785 1.00 0.00 N ATOM 1327 CA GLY A 86 -66.019 7.613 94.390 1.00 0.00 C ATOM 1328 C GLY A 86 -65.036 8.615 95.000 1.00 0.00 C ATOM 1329 O GLY A 86 -65.414 9.385 95.888 1.00 0.00 O ATOM 0 H GLY A 86 -67.470 8.684 95.429 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -65.751 6.604 94.703 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -65.939 7.641 93.303 1.00 0.00 H new ATOM 1333 N ASP A 87 -63.779 8.588 94.534 1.00 0.00 N ATOM 1334 CA ASP A 87 -62.780 9.610 94.870 1.00 0.00 C ATOM 1335 C ASP A 87 -63.105 10.948 94.186 1.00 0.00 C ATOM 1336 O ASP A 87 -63.622 10.986 93.067 1.00 0.00 O ATOM 1337 CB ASP A 87 -61.358 9.158 94.490 1.00 0.00 C ATOM 1338 CG ASP A 87 -60.295 10.050 95.147 1.00 0.00 C ATOM 1339 OD1 ASP A 87 -60.520 10.452 96.310 1.00 0.00 O ATOM 1340 OD2 ASP A 87 -59.280 10.364 94.481 1.00 0.00 O ATOM 0 H ASP A 87 -63.428 7.858 93.915 1.00 0.00 H new ATOM 0 HA ASP A 87 -62.817 9.750 95.950 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -61.208 8.123 94.798 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -61.242 9.188 93.407 1.00 0.00 H new ATOM 1345 N SER A 88 -62.810 12.053 94.872 1.00 0.00 N ATOM 1346 CA SER A 88 -63.292 13.384 94.507 1.00 0.00 C ATOM 1347 C SER A 88 -62.458 14.497 95.151 1.00 0.00 C ATOM 1348 O SER A 88 -61.843 14.293 96.203 1.00 0.00 O ATOM 1349 CB SER A 88 -64.764 13.489 94.925 1.00 0.00 C ATOM 1350 OG SER A 88 -64.932 13.459 96.330 1.00 0.00 O ATOM 0 H SER A 88 -62.223 12.048 95.706 1.00 0.00 H new ATOM 0 HA SER A 88 -63.194 13.516 93.430 1.00 0.00 H new ATOM 0 HB2 SER A 88 -65.185 14.414 94.532 1.00 0.00 H new ATOM 0 HB3 SER A 88 -65.325 12.668 94.478 1.00 0.00 H new ATOM 0 HG SER A 88 -64.680 12.575 96.671 1.00 0.00 H new ATOM 1356 N TYR A 89 -62.448 15.678 94.515 1.00 0.00 N ATOM 1357 CA TYR A 89 -61.565 16.791 94.877 1.00 0.00 C ATOM 1358 C TYR A 89 -62.345 18.083 95.084 1.00 0.00 C ATOM 1359 O TYR A 89 -62.787 18.739 94.142 1.00 0.00 O ATOM 1360 CB TYR A 89 -60.401 16.924 93.889 1.00 0.00 C ATOM 1361 CG TYR A 89 -59.498 15.716 94.006 1.00 0.00 C ATOM 1362 CD1 TYR A 89 -59.815 14.560 93.275 1.00 0.00 C ATOM 1363 CD2 TYR A 89 -58.480 15.679 94.980 1.00 0.00 C ATOM 1364 CE1 TYR A 89 -59.176 13.344 93.569 1.00 0.00 C ATOM 1365 CE2 TYR A 89 -57.814 14.466 95.254 1.00 0.00 C ATOM 1366 CZ TYR A 89 -58.196 13.285 94.580 1.00 0.00 C ATOM 1367 OH TYR A 89 -57.631 12.092 94.898 1.00 0.00 O ATOM 0 H TYR A 89 -63.060 15.887 93.727 1.00 0.00 H new ATOM 0 HA TYR A 89 -61.112 16.566 95.842 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -60.782 17.009 92.871 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -59.837 17.834 94.095 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -60.551 14.606 92.486 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -58.210 16.577 95.515 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -59.436 12.452 93.019 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -57.013 14.440 95.978 1.00 0.00 H new ATOM 0 HH TYR A 89 -58.169 11.365 94.521 1.00 0.00 H new ATOM 1377 N ILE A 90 -62.548 18.402 96.356 1.00 0.00 N ATOM 1378 CA ILE A 90 -63.245 19.572 96.863 1.00 0.00 C ATOM 1379 C ILE A 90 -62.342 20.783 96.637 1.00 0.00 C ATOM 1380 O ILE A 90 -61.141 20.691 96.880 1.00 0.00 O ATOM 1381 CB ILE A 90 -63.551 19.383 98.365 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -64.356 18.115 98.703 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -64.363 20.575 98.899 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -63.616 16.782 98.619 1.00 0.00 C ATOM 0 H ILE A 90 -62.205 17.807 97.111 1.00 0.00 H new ATOM 0 HA ILE A 90 -64.193 19.718 96.346 1.00 0.00 H new ATOM 0 HB ILE A 90 -62.570 19.298 98.832 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -64.748 18.222 99.715 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -65.214 18.069 98.032 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -64.571 20.428 99.959 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -63.791 21.494 98.766 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -65.303 20.650 98.352 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -64.296 15.971 98.881 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -63.248 16.633 97.604 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -62.775 16.788 99.312 1.00 0.00 H new ATOM 1396 N VAL A 91 -62.908 21.922 96.227 1.00 0.00 N ATOM 1397 CA VAL A 91 -62.183 23.201 96.166 1.00 0.00 C ATOM 1398 C VAL A 91 -62.967 24.235 96.973 1.00 0.00 C ATOM 1399 O VAL A 91 -64.163 24.399 96.739 1.00 0.00 O ATOM 1400 CB VAL A 91 -61.801 23.647 94.725 1.00 0.00 C ATOM 1401 CG1 VAL A 91 -61.684 22.481 93.729 1.00 0.00 C ATOM 1402 CG2 VAL A 91 -62.691 24.735 94.108 1.00 0.00 C ATOM 0 H VAL A 91 -63.881 21.987 95.928 1.00 0.00 H new ATOM 0 HA VAL A 91 -61.202 23.080 96.626 1.00 0.00 H new ATOM 0 HB VAL A 91 -60.818 24.088 94.887 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -61.415 22.868 92.746 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -60.915 21.788 94.069 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -62.639 21.960 93.665 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -62.336 24.970 93.105 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -63.719 24.377 94.055 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -62.651 25.632 94.726 1.00 0.00 H new ATOM 1412 N ILE A 92 -62.318 24.883 97.951 1.00 0.00 N ATOM 1413 CA ILE A 92 -62.922 25.907 98.824 1.00 0.00 C ATOM 1414 C ILE A 92 -62.075 27.184 98.760 1.00 0.00 C ATOM 1415 O ILE A 92 -60.980 27.236 99.323 1.00 0.00 O ATOM 1416 CB ILE A 92 -63.139 25.394 100.268 1.00 0.00 C ATOM 1417 CG1 ILE A 92 -63.895 24.048 100.264 1.00 0.00 C ATOM 1418 CG2 ILE A 92 -63.826 26.468 101.132 1.00 0.00 C ATOM 1419 CD1 ILE A 92 -64.247 23.478 101.639 1.00 0.00 C ATOM 0 H ILE A 92 -61.336 24.708 98.164 1.00 0.00 H new ATOM 0 HA ILE A 92 -63.922 26.142 98.460 1.00 0.00 H new ATOM 0 HB ILE A 92 -62.168 25.203 100.725 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -64.817 24.173 99.696 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -63.290 23.314 99.732 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -63.968 26.086 102.143 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -63.202 27.361 101.167 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -64.794 26.719 100.699 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -64.775 22.532 101.517 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -63.333 23.312 102.209 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -64.884 24.183 102.173 1.00 0.00 H new ATOM 1431 N GLY A 93 -62.562 28.183 98.020 1.00 0.00 N ATOM 1432 CA GLY A 93 -61.805 29.338 97.519 1.00 0.00 C ATOM 1433 C GLY A 93 -61.630 29.266 95.993 1.00 0.00 C ATOM 1434 O GLY A 93 -62.057 28.297 95.366 1.00 0.00 O ATOM 0 H GLY A 93 -63.542 28.212 97.739 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -62.323 30.259 97.786 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -60.827 29.372 97.999 1.00 0.00 H new ATOM 1438 N VAL A 94 -60.990 30.274 95.383 1.00 0.00 N ATOM 1439 CA VAL A 94 -60.690 30.282 93.934 1.00 0.00 C ATOM 1440 C VAL A 94 -59.202 30.024 93.686 1.00 0.00 C ATOM 1441 O VAL A 94 -58.369 30.491 94.456 1.00 0.00 O ATOM 1442 CB VAL A 94 -61.145 31.582 93.226 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -62.566 32.001 93.626 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -60.190 32.767 93.431 1.00 0.00 C ATOM 0 H VAL A 94 -60.664 31.107 95.874 1.00 0.00 H new ATOM 0 HA VAL A 94 -61.270 29.470 93.495 1.00 0.00 H new ATOM 0 HB VAL A 94 -61.132 31.327 92.166 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -62.836 32.918 93.102 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -63.267 31.210 93.359 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -62.605 32.173 94.702 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -60.576 33.640 92.905 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -60.110 32.990 94.495 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -59.205 32.513 93.038 1.00 0.00 H new ATOM 1454 N GLY A 95 -58.876 29.325 92.590 1.00 0.00 N ATOM 1455 CA GLY A 95 -57.528 28.980 92.111 1.00 0.00 C ATOM 1456 C GLY A 95 -56.413 28.995 93.166 1.00 0.00 C ATOM 1457 O GLY A 95 -56.324 28.088 93.990 1.00 0.00 O ATOM 0 H GLY A 95 -59.598 28.959 91.970 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -57.566 27.986 91.666 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -57.258 29.675 91.316 1.00 0.00 H new ATOM 1461 N ASN A 96 -55.571 30.036 93.152 1.00 0.00 N ATOM 1462 CA ASN A 96 -54.408 30.203 94.037 1.00 0.00 C ATOM 1463 C ASN A 96 -54.737 30.340 95.540 1.00 0.00 C ATOM 1464 O ASN A 96 -53.826 30.293 96.363 1.00 0.00 O ATOM 1465 CB ASN A 96 -53.619 31.429 93.550 1.00 0.00 C ATOM 1466 CG ASN A 96 -54.456 32.697 93.627 1.00 0.00 C ATOM 1467 OD1 ASN A 96 -55.162 33.038 92.692 1.00 0.00 O ATOM 1468 ND2 ASN A 96 -54.451 33.382 94.752 1.00 0.00 N ATOM 0 H ASN A 96 -55.684 30.814 92.502 1.00 0.00 H new ATOM 0 HA ASN A 96 -53.825 29.284 93.972 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -52.720 31.548 94.155 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -53.293 31.269 92.522 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -55.042 34.208 94.849 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -53.856 33.087 95.526 1.00 0.00 H new ATOM 1475 N SER A 97 -56.010 30.528 95.896 1.00 0.00 N ATOM 1476 CA SER A 97 -56.523 30.619 97.266 1.00 0.00 C ATOM 1477 C SER A 97 -57.326 29.380 97.679 1.00 0.00 C ATOM 1478 O SER A 97 -57.735 29.285 98.838 1.00 0.00 O ATOM 1479 CB SER A 97 -57.462 31.821 97.379 1.00 0.00 C ATOM 1480 OG SER A 97 -56.841 33.046 97.052 1.00 0.00 O ATOM 0 H SER A 97 -56.750 30.626 95.200 1.00 0.00 H new ATOM 0 HA SER A 97 -55.655 30.712 97.918 1.00 0.00 H new ATOM 0 HB2 SER A 97 -58.318 31.668 96.721 1.00 0.00 H new ATOM 0 HB3 SER A 97 -57.848 31.877 98.397 1.00 0.00 H new ATOM 0 HG SER A 97 -57.484 33.778 97.160 1.00 0.00 H new ATOM 1486 N ALA A 98 -57.605 28.460 96.744 1.00 0.00 N ATOM 1487 CA ALA A 98 -58.487 27.325 96.968 1.00 0.00 C ATOM 1488 C ALA A 98 -57.840 26.256 97.856 1.00 0.00 C ATOM 1489 O ALA A 98 -56.770 25.727 97.550 1.00 0.00 O ATOM 1490 CB ALA A 98 -58.906 26.727 95.620 1.00 0.00 C ATOM 0 H ALA A 98 -57.215 28.491 95.802 1.00 0.00 H new ATOM 0 HA ALA A 98 -59.369 27.684 97.498 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -59.567 25.877 95.789 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -59.429 27.482 95.034 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -58.020 26.396 95.078 1.00 0.00 H new ATOM 1496 N LEU A 99 -58.546 25.866 98.919 1.00 0.00 N ATOM 1497 CA LEU A 99 -58.333 24.583 99.580 1.00 0.00 C ATOM 1498 C LEU A 99 -58.769 23.466 98.622 1.00 0.00 C ATOM 1499 O LEU A 99 -59.925 23.050 98.645 1.00 0.00 O ATOM 1500 CB LEU A 99 -59.157 24.501 100.871 1.00 0.00 C ATOM 1501 CG LEU A 99 -58.850 25.553 101.941 1.00 0.00 C ATOM 1502 CD1 LEU A 99 -60.055 25.616 102.874 1.00 0.00 C ATOM 1503 CD2 LEU A 99 -57.599 25.173 102.736 1.00 0.00 C ATOM 0 H LEU A 99 -59.280 26.432 99.343 1.00 0.00 H new ATOM 0 HA LEU A 99 -57.279 24.476 99.837 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -60.212 24.578 100.609 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -59.009 23.514 101.309 1.00 0.00 H new ATOM 0 HG LEU A 99 -58.663 26.520 101.473 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -59.874 26.357 103.653 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -60.941 25.897 102.305 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -60.212 24.639 103.332 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -57.401 25.935 103.490 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -57.757 24.212 103.225 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -56.747 25.101 102.061 1.00 0.00 H new ATOM 1515 N THR A 100 -57.865 23.012 97.754 1.00 0.00 N ATOM 1516 CA THR A 100 -58.072 21.811 96.940 1.00 0.00 C ATOM 1517 C THR A 100 -57.796 20.574 97.805 1.00 0.00 C ATOM 1518 O THR A 100 -56.636 20.215 98.005 1.00 0.00 O ATOM 1519 CB THR A 100 -57.212 21.835 95.668 1.00 0.00 C ATOM 1520 OG1 THR A 100 -57.516 22.998 94.929 1.00 0.00 O ATOM 1521 CG2 THR A 100 -57.509 20.646 94.750 1.00 0.00 C ATOM 0 H THR A 100 -56.966 23.467 97.594 1.00 0.00 H new ATOM 0 HA THR A 100 -59.107 21.777 96.599 1.00 0.00 H new ATOM 0 HB THR A 100 -56.170 21.801 95.985 1.00 0.00 H new ATOM 0 HG1 THR A 100 -56.969 23.021 94.116 1.00 0.00 H new ATOM 0 HG21 THR A 100 -56.878 20.704 93.863 1.00 0.00 H new ATOM 0 HG22 THR A 100 -57.304 19.716 95.281 1.00 0.00 H new ATOM 0 HG23 THR A 100 -58.557 20.670 94.452 1.00 0.00 H new ATOM 1529 N LEU A 101 -58.849 19.948 98.346 1.00 0.00 N ATOM 1530 CA LEU A 101 -58.774 18.803 99.266 1.00 0.00 C ATOM 1531 C LEU A 101 -59.588 17.587 98.782 1.00 0.00 C ATOM 1532 O LEU A 101 -60.223 17.630 97.733 1.00 0.00 O ATOM 1533 CB LEU A 101 -59.078 19.235 100.718 1.00 0.00 C ATOM 1534 CG LEU A 101 -60.557 19.475 101.091 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -60.703 19.434 102.610 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -61.088 20.838 100.640 1.00 0.00 C ATOM 0 H LEU A 101 -59.809 20.233 98.150 1.00 0.00 H new ATOM 0 HA LEU A 101 -57.744 18.446 99.266 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -58.681 18.472 101.387 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -58.526 20.153 100.919 1.00 0.00 H new ATOM 0 HG LEU A 101 -61.125 18.694 100.585 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -61.745 19.603 102.880 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -60.386 18.459 102.980 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -60.082 20.211 103.056 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -62.132 20.937 100.935 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -60.502 21.629 101.107 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -61.008 20.919 99.556 1.00 0.00 H new ATOM 1548 N HIS A 102 -59.519 16.478 99.524 1.00 0.00 N ATOM 1549 CA HIS A 102 -59.742 15.121 99.011 1.00 0.00 C ATOM 1550 C HIS A 102 -60.833 14.327 99.740 1.00 0.00 C ATOM 1551 O HIS A 102 -60.899 14.341 100.969 1.00 0.00 O ATOM 1552 CB HIS A 102 -58.407 14.368 99.099 1.00 0.00 C ATOM 1553 CG HIS A 102 -57.728 14.298 100.460 1.00 0.00 C ATOM 1554 ND1 HIS A 102 -58.144 14.810 101.682 1.00 0.00 N ATOM 1555 CD2 HIS A 102 -56.500 13.726 100.667 1.00 0.00 C ATOM 1556 CE1 HIS A 102 -57.173 14.565 102.577 1.00 0.00 C ATOM 1557 NE2 HIS A 102 -56.160 13.896 102.009 1.00 0.00 N ATOM 0 H HIS A 102 -59.302 16.498 100.520 1.00 0.00 H new ATOM 0 HA HIS A 102 -60.102 15.218 97.987 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -58.573 13.348 98.753 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -57.712 14.833 98.400 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -55.899 13.229 99.920 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -57.204 14.866 103.614 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -55.308 13.574 102.468 1.00 0.00 H new ATOM 1565 N TRP A 103 -61.649 13.569 98.994 1.00 0.00 N ATOM 1566 CA TRP A 103 -62.670 12.704 99.588 1.00 0.00 C ATOM 1567 C TRP A 103 -63.071 11.517 98.718 1.00 0.00 C ATOM 1568 O TRP A 103 -63.479 11.695 97.568 1.00 0.00 O ATOM 1569 CB TRP A 103 -63.917 13.538 99.846 1.00 0.00 C ATOM 1570 CG TRP A 103 -65.032 12.853 100.554 1.00 0.00 C ATOM 1571 CD1 TRP A 103 -66.212 12.487 100.007 1.00 0.00 C ATOM 1572 CD2 TRP A 103 -65.100 12.487 101.958 1.00 0.00 C ATOM 1573 NE1 TRP A 103 -67.040 11.997 101.000 1.00 0.00 N ATOM 1574 CE2 TRP A 103 -66.413 12.011 102.226 1.00 0.00 C ATOM 1575 CE3 TRP A 103 -64.192 12.529 103.035 1.00 0.00 C ATOM 1576 CZ2 TRP A 103 -66.834 11.681 103.518 1.00 0.00 C ATOM 1577 CZ3 TRP A 103 -64.591 12.142 104.326 1.00 0.00 C ATOM 1578 CH2 TRP A 103 -65.918 11.755 104.578 1.00 0.00 C ATOM 0 H TRP A 103 -61.619 13.540 97.975 1.00 0.00 H new ATOM 0 HA TRP A 103 -62.235 12.296 100.500 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -63.629 14.414 100.428 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -64.291 13.900 98.888 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -66.468 12.565 98.961 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -67.993 11.668 100.844 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -63.179 12.862 102.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -67.853 11.373 103.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -63.871 12.142 105.131 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -66.231 11.516 105.583 1.00 0.00 H new ATOM 1589 N PHE A 104 -63.087 10.332 99.335 1.00 0.00 N ATOM 1590 CA PHE A 104 -63.715 9.125 98.812 1.00 0.00 C ATOM 1591 C PHE A 104 -65.008 8.846 99.592 1.00 0.00 C ATOM 1592 O PHE A 104 -64.964 8.503 100.776 1.00 0.00 O ATOM 1593 CB PHE A 104 -62.722 7.961 98.875 1.00 0.00 C ATOM 1594 CG PHE A 104 -63.226 6.695 98.209 1.00 0.00 C ATOM 1595 CD1 PHE A 104 -64.101 5.838 98.895 1.00 0.00 C ATOM 1596 CD2 PHE A 104 -62.846 6.382 96.893 1.00 0.00 C ATOM 1597 CE1 PHE A 104 -64.614 4.690 98.268 1.00 0.00 C ATOM 1598 CE2 PHE A 104 -63.356 5.237 96.258 1.00 0.00 C ATOM 1599 CZ PHE A 104 -64.246 4.392 96.944 1.00 0.00 C ATOM 0 H PHE A 104 -62.647 10.186 100.243 1.00 0.00 H new ATOM 0 HA PHE A 104 -63.989 9.256 97.765 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -61.789 8.264 98.400 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -62.493 7.746 99.919 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -64.382 6.063 99.913 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -62.157 7.026 96.366 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -65.289 4.038 98.802 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -63.065 5.006 95.244 1.00 0.00 H new ATOM 0 HZ PHE A 104 -64.646 3.516 96.455 1.00 0.00 H new ATOM 1609 N ARG A 105 -66.165 9.025 98.940 1.00 0.00 N ATOM 1610 CA ARG A 105 -67.489 8.825 99.556 1.00 0.00 C ATOM 1611 C ARG A 105 -67.709 7.361 99.973 1.00 0.00 C ATOM 1612 O ARG A 105 -67.191 6.443 99.340 1.00 0.00 O ATOM 1613 CB ARG A 105 -68.548 9.316 98.561 1.00 0.00 C ATOM 1614 CG ARG A 105 -69.964 9.439 99.140 1.00 0.00 C ATOM 1615 CD ARG A 105 -70.910 9.987 98.067 1.00 0.00 C ATOM 1616 NE ARG A 105 -72.244 10.265 98.610 1.00 0.00 N ATOM 1617 CZ ARG A 105 -73.336 10.573 97.926 1.00 0.00 C ATOM 1618 NH1 ARG A 105 -73.352 10.745 96.634 1.00 0.00 N ATOM 1619 NH2 ARG A 105 -74.460 10.818 98.541 1.00 0.00 N ATOM 0 H ARG A 105 -66.211 9.315 97.963 1.00 0.00 H new ATOM 0 HA ARG A 105 -67.564 9.400 100.479 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -68.242 10.289 98.176 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -68.575 8.632 97.713 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -70.313 8.466 99.485 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -69.958 10.100 100.006 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -70.491 10.901 97.645 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -70.992 9.268 97.252 1.00 0.00 H new ATOM 0 HE ARG A 105 -72.341 10.216 99.624 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -72.492 10.643 96.095 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -74.225 10.981 96.162 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -74.505 10.773 99.559 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -75.294 11.054 98.004 1.00 0.00 H new ATOM 1633 N LYS A 106 -68.476 7.141 101.047 1.00 0.00 N ATOM 1634 CA LYS A 106 -68.752 5.870 101.751 1.00 0.00 C ATOM 1635 C LYS A 106 -67.526 5.123 102.314 1.00 0.00 C ATOM 1636 O LYS A 106 -67.666 4.469 103.343 1.00 0.00 O ATOM 1637 CB LYS A 106 -69.674 4.960 100.916 1.00 0.00 C ATOM 1638 CG LYS A 106 -71.136 5.448 100.830 1.00 0.00 C ATOM 1639 CD LYS A 106 -72.069 4.853 101.903 1.00 0.00 C ATOM 1640 CE LYS A 106 -71.817 5.310 103.349 1.00 0.00 C ATOM 1641 NZ LYS A 106 -72.257 6.705 103.586 1.00 0.00 N ATOM 0 H LYS A 106 -68.968 7.916 101.491 1.00 0.00 H new ATOM 0 HA LYS A 106 -69.283 6.168 102.655 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -69.270 4.880 99.907 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -69.662 3.958 101.345 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -71.149 6.535 100.916 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -71.531 5.201 99.845 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -73.097 5.101 101.639 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -71.984 3.767 101.867 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -72.343 4.645 104.034 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -70.754 5.224 103.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -72.082 6.960 104.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -71.725 7.347 102.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -73.273 6.788 103.382 1.00 0.00 H new