USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 53 GLN : amide:sc= -2.07 K(o=-5.4,f=0.41) USER MOD Set 1.2: A 99 GLN : amide:sc= -2.95 K(o=-5.4,f=1) USER MOD Set 1.3: A 102 TYR OH : rot 180:sc= -0.409 USER MOD Set 2.1: A 79 ASN : amide:sc= -2! K(o=-2!,f=-0.52) USER MOD Set 2.2: A 80 ASN : amide:sc= 0 K(o=-2,f=-0.52) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.19) USER MOD Set 3.2: A 75 MET CE :methyl -158:sc= -0.962 (180deg=-1.55!) USER MOD Set 4.1: A 30 SER OG : rot 180:sc= -0.225! USER MOD Set 4.2: A 31 GLN : amide:sc= -0.994 K(o=-2.2,f=-1.4) USER MOD Set 4.3: A 33 THR OG1 : rot 180:sc= -0.978 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= -0.144 (180deg=-0.902) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.34) USER MOD Single : A 52 TYR OH : rot 130:sc= -0.787 USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.941) USER MOD Single : A 61 SER OG : rot 180:sc= -0.551 USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= -0.325 (180deg=-1.34!) USER MOD Single : A 69 SER OG : rot 90:sc= 0.132 USER MOD Single : A 70 HIS : no HD1:sc= -0.716 K(o=-0.72,f=-0.12) USER MOD Single : A 73 GLN : amide:sc= -0.697 X(o=-0.7,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.2!) USER MOD Single : A 85 THR OG1 : rot 67:sc= 0.0551 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 87 TYR OH : rot 28:sc= -0.329 USER MOD Single : A 95 ASN : amide:sc= -9.19! C(o=-9.2!,f=-18!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -78:sc= 0.478 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 110 THR OG1 : rot -160:sc= 0.686 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -13.266 -11.700 2.058 1.00 0.00 N ATOM 209 CA VAL A 17 -12.453 -10.540 1.714 1.00 0.00 C ATOM 210 C VAL A 17 -10.987 -10.925 1.552 1.00 0.00 C ATOM 211 O VAL A 17 -10.501 -11.886 2.151 1.00 0.00 O ATOM 212 CB VAL A 17 -12.567 -9.437 2.783 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.983 -8.883 2.831 1.00 0.00 C ATOM 214 CG2 VAL A 17 -12.148 -9.971 4.145 1.00 0.00 C ATOM 0 HA VAL A 17 -12.833 -10.158 0.766 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.894 -8.623 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.044 -8.105 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.242 -8.461 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.679 -9.685 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.234 -9.179 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.794 -10.803 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.114 -10.314 4.099 1.00 0.00 H new ATOM 224 N PRO A 18 -10.262 -10.160 0.723 1.00 0.00 N ATOM 225 CA PRO A 18 -8.839 -10.402 0.463 1.00 0.00 C ATOM 226 C PRO A 18 -7.967 -10.087 1.674 1.00 0.00 C ATOM 227 O PRO A 18 -8.332 -9.267 2.516 1.00 0.00 O ATOM 228 CB PRO A 18 -8.522 -9.445 -0.689 1.00 0.00 C ATOM 229 CG PRO A 18 -9.528 -8.354 -0.564 1.00 0.00 C ATOM 230 CD PRO A 18 -10.775 -9.000 -0.025 1.00 0.00 C ATOM 0 HA PRO A 18 -8.638 -11.448 0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.506 -9.057 -0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.600 -9.947 -1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.173 -7.571 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.717 -7.885 -1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.333 -8.321 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.448 -9.304 -0.826 1.00 0.00 H new ATOM 238 N SER A 19 -6.813 -10.743 1.752 1.00 0.00 N ATOM 239 CA SER A 19 -5.891 -10.535 2.862 1.00 0.00 C ATOM 240 C SER A 19 -5.036 -9.293 2.632 1.00 0.00 C ATOM 241 O SER A 19 -4.989 -8.753 1.526 1.00 0.00 O ATOM 242 CB SER A 19 -4.992 -11.760 3.043 1.00 0.00 C ATOM 243 OG SER A 19 -3.830 -11.662 2.239 1.00 0.00 O ATOM 0 H SER A 19 -6.495 -11.422 1.060 1.00 0.00 H new ATOM 0 HA SER A 19 -6.479 -10.388 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.706 -11.854 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.544 -12.662 2.781 1.00 0.00 H new ATOM 0 HG SER A 19 -3.271 -12.456 2.374 1.00 0.00 H new ATOM 249 N SER A 20 -4.361 -8.843 3.685 1.00 0.00 N ATOM 250 CA SER A 20 -3.510 -7.661 3.600 1.00 0.00 C ATOM 251 C SER A 20 -2.342 -7.900 2.647 1.00 0.00 C ATOM 252 O SER A 20 -1.750 -8.980 2.608 1.00 0.00 O ATOM 253 CB SER A 20 -2.983 -7.286 4.986 1.00 0.00 C ATOM 254 OG SER A 20 -2.279 -8.366 5.574 1.00 0.00 O ATOM 0 H SER A 20 -4.387 -9.279 4.607 1.00 0.00 H new ATOM 0 HA SER A 20 -4.110 -6.838 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.326 -6.420 4.906 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.815 -6.997 5.629 1.00 0.00 H new ATOM 0 HG SER A 20 -1.951 -8.100 6.458 1.00 0.00 H new ATOM 260 N PRO A 21 -2.003 -6.870 1.859 1.00 0.00 N ATOM 261 CA PRO A 21 -0.904 -6.942 0.891 1.00 0.00 C ATOM 262 C PRO A 21 0.461 -7.001 1.568 1.00 0.00 C ATOM 263 O PRO A 21 0.556 -7.026 2.796 1.00 0.00 O ATOM 264 CB PRO A 21 -1.049 -5.644 0.092 1.00 0.00 C ATOM 265 CG PRO A 21 -1.746 -4.707 1.017 1.00 0.00 C ATOM 266 CD PRO A 21 -2.665 -5.555 1.851 1.00 0.00 C ATOM 0 HA PRO A 21 -0.958 -7.843 0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.077 -5.253 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.625 -5.802 -0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.031 -4.174 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.306 -3.955 0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.776 -5.155 2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.664 -5.611 1.418 1.00 0.00 H new ATOM 274 N TYR A 22 1.516 -7.022 0.761 1.00 0.00 N ATOM 275 CA TYR A 22 2.877 -7.080 1.283 1.00 0.00 C ATOM 276 C TYR A 22 3.856 -6.406 0.326 1.00 0.00 C ATOM 277 O TYR A 22 3.511 -6.088 -0.811 1.00 0.00 O ATOM 278 CB TYR A 22 3.294 -8.533 1.518 1.00 0.00 C ATOM 279 CG TYR A 22 3.307 -9.370 0.259 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.160 -10.024 -0.176 1.00 0.00 C ATOM 281 CD2 TYR A 22 4.465 -9.508 -0.496 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.167 -10.791 -1.324 1.00 0.00 C ATOM 283 CE2 TYR A 22 4.481 -10.272 -1.647 1.00 0.00 C ATOM 284 CZ TYR A 22 3.330 -10.911 -2.057 1.00 0.00 C ATOM 285 OH TYR A 22 3.342 -11.675 -3.203 1.00 0.00 O ATOM 0 H TYR A 22 1.455 -7.000 -0.257 1.00 0.00 H new ATOM 0 HA TYR A 22 2.898 -6.545 2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.288 -8.549 1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.613 -8.986 2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.247 -9.930 0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.369 -9.009 -0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.267 -11.294 -1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.390 -10.368 -2.222 1.00 0.00 H new ATOM 0 HH TYR A 22 4.237 -11.654 -3.601 1.00 0.00 H new ATOM 295 N GLY A 23 5.081 -6.192 0.798 1.00 0.00 N ATOM 296 CA GLY A 23 6.093 -5.558 -0.027 1.00 0.00 C ATOM 297 C GLY A 23 5.963 -4.049 -0.047 1.00 0.00 C ATOM 298 O GLY A 23 6.915 -3.340 -0.373 1.00 0.00 O ATOM 0 H GLY A 23 5.390 -6.446 1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.082 -5.829 0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.018 -5.939 -1.045 1.00 0.00 H new ATOM 302 N VAL A 24 4.779 -3.554 0.301 1.00 0.00 N ATOM 303 CA VAL A 24 4.527 -2.118 0.321 1.00 0.00 C ATOM 304 C VAL A 24 5.772 -1.347 0.745 1.00 0.00 C ATOM 305 O VAL A 24 6.146 -1.345 1.918 1.00 0.00 O ATOM 306 CB VAL A 24 3.369 -1.766 1.275 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.459 -2.588 2.552 1.00 0.00 C ATOM 308 CG2 VAL A 24 3.373 -0.276 1.588 1.00 0.00 C ATOM 0 H VAL A 24 3.980 -4.126 0.573 1.00 0.00 H new ATOM 0 HA VAL A 24 4.253 -1.830 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 24 2.428 -2.009 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.633 -2.325 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.404 -3.649 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.405 -2.380 3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.549 -0.044 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.317 -0.006 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.256 0.290 0.664 1.00 0.00 H new ATOM 318 N LYS A 25 6.411 -0.692 -0.218 1.00 0.00 N ATOM 319 CA LYS A 25 7.614 0.086 0.054 1.00 0.00 C ATOM 320 C LYS A 25 7.630 1.369 -0.771 1.00 0.00 C ATOM 321 O LYS A 25 7.189 1.385 -1.921 1.00 0.00 O ATOM 322 CB LYS A 25 8.863 -0.745 -0.253 1.00 0.00 C ATOM 323 CG LYS A 25 8.806 -1.456 -1.594 1.00 0.00 C ATOM 324 CD LYS A 25 9.323 -0.571 -2.715 1.00 0.00 C ATOM 325 CE LYS A 25 10.822 -0.741 -2.915 1.00 0.00 C ATOM 326 NZ LYS A 25 11.605 0.156 -2.022 1.00 0.00 N ATOM 0 H LYS A 25 6.116 -0.684 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 25 7.613 0.354 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.737 -0.093 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.000 -1.485 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.398 -2.370 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.779 -1.752 -1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.802 -0.814 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.101 0.472 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.099 -1.777 -2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.076 -0.531 -3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.518 0.379 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.074 1.036 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.772 -0.319 -1.112 1.00 0.00 H new ATOM 340 N ILE A 26 8.142 2.442 -0.177 1.00 0.00 N ATOM 341 CA ILE A 26 8.217 3.728 -0.857 1.00 0.00 C ATOM 342 C ILE A 26 9.431 3.793 -1.779 1.00 0.00 C ATOM 343 O ILE A 26 10.573 3.794 -1.318 1.00 0.00 O ATOM 344 CB ILE A 26 8.288 4.894 0.147 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.157 4.782 1.172 1.00 0.00 C ATOM 346 CG2 ILE A 26 8.219 6.227 -0.583 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.794 4.584 0.547 1.00 0.00 C ATOM 0 H ILE A 26 8.511 2.445 0.774 1.00 0.00 H new ATOM 0 HA ILE A 26 7.307 3.824 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 26 9.239 4.841 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.366 3.948 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.140 5.685 1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.270 7.041 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.056 6.305 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.282 6.291 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.041 4.513 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.564 5.430 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.793 3.666 -0.041 1.00 0.00 H new ATOM 359 N ILE A 27 9.175 3.845 -3.082 1.00 0.00 N ATOM 360 CA ILE A 27 10.247 3.913 -4.068 1.00 0.00 C ATOM 361 C ILE A 27 10.598 5.359 -4.400 1.00 0.00 C ATOM 362 O ILE A 27 11.771 5.717 -4.490 1.00 0.00 O ATOM 363 CB ILE A 27 9.863 3.178 -5.366 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.545 3.724 -5.917 1.00 0.00 C ATOM 365 CG2 ILE A 27 9.758 1.681 -5.116 1.00 0.00 C ATOM 366 CD1 ILE A 27 8.128 3.091 -7.226 1.00 0.00 C ATOM 0 H ILE A 27 8.236 3.841 -3.479 1.00 0.00 H new ATOM 0 HA ILE A 27 11.115 3.424 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 27 10.644 3.350 -6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.759 3.565 -5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.638 4.801 -6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.486 1.176 -6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.718 1.303 -4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.995 1.491 -4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.185 3.527 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.895 3.272 -7.979 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.003 2.017 -7.087 1.00 0.00 H new ATOM 378 N GLU A 28 9.571 6.185 -4.581 1.00 0.00 N ATOM 379 CA GLU A 28 9.773 7.593 -4.902 1.00 0.00 C ATOM 380 C GLU A 28 9.113 8.489 -3.859 1.00 0.00 C ATOM 381 O GLU A 28 7.899 8.696 -3.879 1.00 0.00 O ATOM 382 CB GLU A 28 9.210 7.908 -6.290 1.00 0.00 C ATOM 383 CG GLU A 28 9.901 7.153 -7.413 1.00 0.00 C ATOM 384 CD GLU A 28 9.863 7.905 -8.730 1.00 0.00 C ATOM 385 OE1 GLU A 28 10.599 8.906 -8.862 1.00 0.00 O ATOM 386 OE2 GLU A 28 9.099 7.492 -9.628 1.00 0.00 O ATOM 0 H GLU A 28 8.593 5.904 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 28 10.845 7.790 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.146 7.670 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.299 8.979 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.938 6.966 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.424 6.181 -7.540 1.00 0.00 H new ATOM 393 N LEU A 29 9.922 9.018 -2.946 1.00 0.00 N ATOM 394 CA LEU A 29 9.418 9.892 -1.893 1.00 0.00 C ATOM 395 C LEU A 29 9.861 11.334 -2.123 1.00 0.00 C ATOM 396 O LEU A 29 11.040 11.604 -2.342 1.00 0.00 O ATOM 397 CB LEU A 29 9.905 9.409 -0.526 1.00 0.00 C ATOM 398 CG LEU A 29 9.559 10.304 0.666 1.00 0.00 C ATOM 399 CD1 LEU A 29 8.071 10.232 0.972 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.376 9.908 1.886 1.00 0.00 C ATOM 0 H LEU A 29 10.929 8.857 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 29 8.329 9.858 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.488 8.418 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.988 9.297 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 29 9.807 11.333 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.843 10.875 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.504 10.566 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.798 9.204 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.116 10.555 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.160 8.872 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.438 10.012 1.662 1.00 0.00 H new ATOM 412 N SER A 30 8.905 12.257 -2.069 1.00 0.00 N ATOM 413 CA SER A 30 9.196 13.671 -2.273 1.00 0.00 C ATOM 414 C SER A 30 8.919 14.471 -1.003 1.00 0.00 C ATOM 415 O SER A 30 8.607 13.905 0.043 1.00 0.00 O ATOM 416 CB SER A 30 8.361 14.223 -3.429 1.00 0.00 C ATOM 417 OG SER A 30 8.453 15.635 -3.497 1.00 0.00 O ATOM 0 H SER A 30 7.923 12.051 -1.886 1.00 0.00 H new ATOM 0 HA SER A 30 10.253 13.768 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.702 13.788 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.319 13.929 -3.302 1.00 0.00 H new ATOM 0 HG SER A 30 7.911 15.962 -4.245 1.00 0.00 H new ATOM 423 N GLN A 31 9.037 15.791 -1.107 1.00 0.00 N ATOM 424 CA GLN A 31 8.801 16.669 0.033 1.00 0.00 C ATOM 425 C GLN A 31 7.306 16.852 0.278 1.00 0.00 C ATOM 426 O GLN A 31 6.864 16.968 1.422 1.00 0.00 O ATOM 427 CB GLN A 31 9.461 18.030 -0.199 1.00 0.00 C ATOM 428 CG GLN A 31 9.538 18.427 -1.665 1.00 0.00 C ATOM 429 CD GLN A 31 10.828 17.980 -2.324 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.812 17.318 -3.361 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.956 18.341 -1.722 1.00 0.00 N ATOM 0 H GLN A 31 9.294 16.275 -1.967 1.00 0.00 H new ATOM 0 HA GLN A 31 9.242 16.204 0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.904 18.792 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.468 18.012 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.692 17.994 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.448 19.510 -1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.923 18.890 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.855 18.069 -2.119 1.00 0.00 H new ATOM 440 N THR A 32 6.532 16.878 -0.803 1.00 0.00 N ATOM 441 CA THR A 32 5.089 17.049 -0.704 1.00 0.00 C ATOM 442 C THR A 32 4.353 15.825 -1.240 1.00 0.00 C ATOM 443 O THR A 32 3.192 15.589 -0.904 1.00 0.00 O ATOM 444 CB THR A 32 4.617 18.296 -1.476 1.00 0.00 C ATOM 445 OG1 THR A 32 4.840 18.118 -2.879 1.00 0.00 O ATOM 446 CG2 THR A 32 5.348 19.539 -0.994 1.00 0.00 C ATOM 0 H THR A 32 6.881 16.783 -1.757 1.00 0.00 H new ATOM 0 HA THR A 32 4.857 17.176 0.353 1.00 0.00 H new ATOM 0 HB THR A 32 3.551 18.427 -1.293 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.536 18.914 -3.362 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.998 20.407 -1.553 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.151 19.688 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.420 19.414 -1.150 1.00 0.00 H new ATOM 454 N THR A 33 5.036 15.048 -2.075 1.00 0.00 N ATOM 455 CA THR A 33 4.448 13.848 -2.656 1.00 0.00 C ATOM 456 C THR A 33 5.153 12.592 -2.158 1.00 0.00 C ATOM 457 O THR A 33 6.294 12.650 -1.700 1.00 0.00 O ATOM 458 CB THR A 33 4.509 13.882 -4.195 1.00 0.00 C ATOM 459 OG1 THR A 33 5.651 14.634 -4.623 1.00 0.00 O ATOM 460 CG2 THR A 33 3.245 14.498 -4.774 1.00 0.00 C ATOM 0 H THR A 33 5.997 15.229 -2.364 1.00 0.00 H new ATOM 0 HA THR A 33 3.405 13.823 -2.341 1.00 0.00 H new ATOM 0 HB THR A 33 4.592 12.857 -4.556 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.684 14.650 -5.602 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.312 14.511 -5.862 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.381 13.907 -4.471 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.135 15.518 -4.405 1.00 0.00 H new ATOM 468 N ALA A 34 4.468 11.457 -2.252 1.00 0.00 N ATOM 469 CA ALA A 34 5.030 10.187 -1.813 1.00 0.00 C ATOM 470 C ALA A 34 4.408 9.019 -2.572 1.00 0.00 C ATOM 471 O ALA A 34 3.207 8.769 -2.469 1.00 0.00 O ATOM 472 CB ALA A 34 4.832 10.010 -0.315 1.00 0.00 C ATOM 0 H ALA A 34 3.522 11.392 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 34 6.099 10.199 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.257 9.056 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.330 10.821 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.767 10.025 -0.084 1.00 0.00 H new ATOM 478 N LYS A 35 5.232 8.308 -3.333 1.00 0.00 N ATOM 479 CA LYS A 35 4.762 7.166 -4.110 1.00 0.00 C ATOM 480 C LYS A 35 4.991 5.862 -3.351 1.00 0.00 C ATOM 481 O LYS A 35 6.111 5.560 -2.939 1.00 0.00 O ATOM 482 CB LYS A 35 5.477 7.114 -5.462 1.00 0.00 C ATOM 483 CG LYS A 35 4.853 6.136 -6.442 1.00 0.00 C ATOM 484 CD LYS A 35 5.724 5.948 -7.672 1.00 0.00 C ATOM 485 CE LYS A 35 5.441 7.009 -8.724 1.00 0.00 C ATOM 486 NZ LYS A 35 6.408 6.940 -9.856 1.00 0.00 N ATOM 0 H LYS A 35 6.229 8.502 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 35 3.692 7.286 -4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.474 8.110 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.520 6.840 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.702 5.174 -5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.870 6.498 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.775 5.990 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.549 4.959 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.427 6.882 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.488 7.997 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.122 7.610 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.359 7.186 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.419 5.976 -10.245 1.00 0.00 H new ATOM 500 N VAL A 36 3.922 5.092 -3.172 1.00 0.00 N ATOM 501 CA VAL A 36 4.007 3.818 -2.466 1.00 0.00 C ATOM 502 C VAL A 36 3.743 2.649 -3.408 1.00 0.00 C ATOM 503 O VAL A 36 2.682 2.564 -4.025 1.00 0.00 O ATOM 504 CB VAL A 36 3.007 3.758 -1.297 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.630 4.220 -1.746 1.00 0.00 C ATOM 506 CG2 VAL A 36 2.945 2.350 -0.722 1.00 0.00 C ATOM 0 H VAL A 36 2.987 5.328 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 36 5.020 3.741 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 36 3.351 4.432 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.938 4.170 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.690 5.247 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.273 3.574 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.234 2.325 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.626 1.654 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.932 2.061 -0.359 1.00 0.00 H new ATOM 516 N SER A 37 4.716 1.749 -3.513 1.00 0.00 N ATOM 517 CA SER A 37 4.590 0.586 -4.383 1.00 0.00 C ATOM 518 C SER A 37 4.488 -0.696 -3.562 1.00 0.00 C ATOM 519 O SER A 37 5.385 -1.023 -2.785 1.00 0.00 O ATOM 520 CB SER A 37 5.785 0.502 -5.334 1.00 0.00 C ATOM 521 OG SER A 37 5.796 -0.732 -6.031 1.00 0.00 O ATOM 0 H SER A 37 5.600 1.803 -3.006 1.00 0.00 H new ATOM 0 HA SER A 37 3.677 0.697 -4.968 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.745 1.326 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.711 0.613 -4.770 1.00 0.00 H new ATOM 0 HG SER A 37 6.568 -0.761 -6.633 1.00 0.00 H new ATOM 527 N PHE A 38 3.387 -1.419 -3.741 1.00 0.00 N ATOM 528 CA PHE A 38 3.166 -2.666 -3.017 1.00 0.00 C ATOM 529 C PHE A 38 2.866 -3.809 -3.982 1.00 0.00 C ATOM 530 O PHE A 38 2.831 -3.617 -5.197 1.00 0.00 O ATOM 531 CB PHE A 38 2.012 -2.506 -2.025 1.00 0.00 C ATOM 532 CG PHE A 38 0.769 -1.930 -2.638 1.00 0.00 C ATOM 533 CD1 PHE A 38 -0.157 -2.752 -3.261 1.00 0.00 C ATOM 534 CD2 PHE A 38 0.525 -0.567 -2.593 1.00 0.00 C ATOM 535 CE1 PHE A 38 -1.302 -2.224 -3.828 1.00 0.00 C ATOM 536 CE2 PHE A 38 -0.619 -0.034 -3.158 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.534 -0.863 -3.775 1.00 0.00 C ATOM 0 H PHE A 38 2.635 -1.163 -4.380 1.00 0.00 H new ATOM 0 HA PHE A 38 4.077 -2.906 -2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.777 -3.479 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.334 -1.863 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.018 -3.817 -3.304 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.237 0.087 -2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.015 -2.875 -4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.796 1.031 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.429 -0.449 -4.215 1.00 0.00 H new ATOM 547 N ASN A 39 2.652 -5.000 -3.432 1.00 0.00 N ATOM 548 CA ASN A 39 2.356 -6.176 -4.243 1.00 0.00 C ATOM 549 C ASN A 39 1.034 -6.808 -3.822 1.00 0.00 C ATOM 550 O ASN A 39 0.534 -6.558 -2.725 1.00 0.00 O ATOM 551 CB ASN A 39 3.486 -7.200 -4.124 1.00 0.00 C ATOM 552 CG ASN A 39 4.797 -6.682 -4.684 1.00 0.00 C ATOM 553 OD1 ASN A 39 4.846 -6.165 -5.800 1.00 0.00 O ATOM 554 ND2 ASN A 39 5.866 -6.822 -3.910 1.00 0.00 N ATOM 0 H ASN A 39 2.678 -5.176 -2.428 1.00 0.00 H new ATOM 0 HA ASN A 39 2.271 -5.859 -5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.622 -7.467 -3.076 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.204 -8.111 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.776 -6.495 -4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.777 -7.257 -2.992 1.00 0.00 H new ATOM 561 N LYS A 40 0.472 -7.631 -4.701 1.00 0.00 N ATOM 562 CA LYS A 40 -0.792 -8.303 -4.421 1.00 0.00 C ATOM 563 C LYS A 40 -0.704 -9.114 -3.132 1.00 0.00 C ATOM 564 O LYS A 40 0.361 -9.598 -2.747 1.00 0.00 O ATOM 565 CB LYS A 40 -1.176 -9.218 -5.586 1.00 0.00 C ATOM 566 CG LYS A 40 -1.173 -8.519 -6.935 1.00 0.00 C ATOM 567 CD LYS A 40 -2.532 -7.918 -7.254 1.00 0.00 C ATOM 568 CE LYS A 40 -2.735 -7.763 -8.754 1.00 0.00 C ATOM 569 NZ LYS A 40 -3.665 -6.646 -9.075 1.00 0.00 N ATOM 0 H LYS A 40 0.872 -7.849 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.560 -7.540 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.483 -10.059 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.168 -9.630 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.417 -7.734 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.897 -9.230 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.317 -8.553 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.623 -6.945 -6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.773 -7.584 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.128 -8.693 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.777 -6.573 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.591 -6.829 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.278 -5.755 -8.705 1.00 0.00 H new ATOM 583 N PRO A 41 -1.848 -9.268 -2.450 1.00 0.00 N ATOM 584 CA PRO A 41 -1.925 -10.023 -1.195 1.00 0.00 C ATOM 585 C PRO A 41 -1.733 -11.521 -1.406 1.00 0.00 C ATOM 586 O PRO A 41 -2.174 -12.077 -2.412 1.00 0.00 O ATOM 587 CB PRO A 41 -3.341 -9.730 -0.692 1.00 0.00 C ATOM 588 CG PRO A 41 -4.119 -9.402 -1.920 1.00 0.00 C ATOM 589 CD PRO A 41 -3.154 -8.720 -2.850 1.00 0.00 C ATOM 0 HA PRO A 41 -1.141 -9.733 -0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.763 -10.591 -0.174 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.346 -8.899 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.529 -10.304 -2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.962 -8.752 -1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.379 -8.939 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.186 -7.636 -2.738 1.00 0.00 H new ATOM 652 N VAL A 47 -13.077 -13.986 -5.055 1.00 0.00 N ATOM 653 CA VAL A 47 -13.259 -12.977 -6.092 1.00 0.00 C ATOM 654 C VAL A 47 -12.009 -12.120 -6.251 1.00 0.00 C ATOM 655 O VAL A 47 -11.279 -11.862 -5.294 1.00 0.00 O ATOM 656 CB VAL A 47 -14.459 -12.064 -5.782 1.00 0.00 C ATOM 657 CG1 VAL A 47 -15.769 -12.795 -6.039 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.392 -11.564 -4.346 1.00 0.00 C ATOM 0 HA VAL A 47 -13.450 -13.511 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.416 -11.201 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.605 -12.133 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.817 -13.098 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.824 -13.678 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.248 -10.920 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.409 -12.414 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.471 -10.999 -4.200 1.00 0.00 H new ATOM 668 N PRO A 48 -11.755 -11.666 -7.487 1.00 0.00 N ATOM 669 CA PRO A 48 -10.593 -10.829 -7.800 1.00 0.00 C ATOM 670 C PRO A 48 -10.709 -9.431 -7.205 1.00 0.00 C ATOM 671 O PRO A 48 -11.797 -8.857 -7.151 1.00 0.00 O ATOM 672 CB PRO A 48 -10.605 -10.762 -9.329 1.00 0.00 C ATOM 673 CG PRO A 48 -12.028 -10.993 -9.707 1.00 0.00 C ATOM 674 CD PRO A 48 -12.583 -11.935 -8.674 1.00 0.00 C ATOM 0 HA PRO A 48 -9.672 -11.239 -7.385 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.253 -9.794 -9.686 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.952 -11.519 -9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.585 -10.056 -9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.102 -11.422 -10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.638 -11.742 -8.480 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.502 -12.974 -8.993 1.00 0.00 H new ATOM 682 N ILE A 49 -9.581 -8.887 -6.759 1.00 0.00 N ATOM 683 CA ILE A 49 -9.558 -7.554 -6.170 1.00 0.00 C ATOM 684 C ILE A 49 -9.959 -6.494 -7.190 1.00 0.00 C ATOM 685 O ILE A 49 -9.500 -6.511 -8.332 1.00 0.00 O ATOM 686 CB ILE A 49 -8.164 -7.210 -5.610 1.00 0.00 C ATOM 687 CG1 ILE A 49 -7.837 -8.104 -4.412 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.100 -5.742 -5.216 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.360 -8.169 -4.092 1.00 0.00 C ATOM 0 H ILE A 49 -8.672 -9.349 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.279 -7.558 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.421 -7.390 -6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.374 -7.737 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.202 -9.112 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.110 -5.514 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.294 -5.122 -6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.850 -5.537 -4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.202 -8.820 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.819 -8.565 -4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.993 -7.169 -3.862 1.00 0.00 H new ATOM 701 N HIS A 50 -10.818 -5.570 -6.769 1.00 0.00 N ATOM 702 CA HIS A 50 -11.280 -4.499 -7.645 1.00 0.00 C ATOM 703 C HIS A 50 -10.343 -3.297 -7.574 1.00 0.00 C ATOM 704 O HIS A 50 -9.825 -2.839 -8.592 1.00 0.00 O ATOM 705 CB HIS A 50 -12.699 -4.078 -7.267 1.00 0.00 C ATOM 706 CG HIS A 50 -13.764 -4.883 -7.946 1.00 0.00 C ATOM 707 ND1 HIS A 50 -13.932 -6.236 -7.740 1.00 0.00 N ATOM 708 CD2 HIS A 50 -14.720 -4.518 -8.832 1.00 0.00 C ATOM 709 CE1 HIS A 50 -14.944 -6.668 -8.472 1.00 0.00 C ATOM 710 NE2 HIS A 50 -15.440 -5.645 -9.143 1.00 0.00 N ATOM 0 H HIS A 50 -11.208 -5.542 -5.827 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.282 -4.875 -8.668 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.820 -4.168 -6.187 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.836 -3.026 -7.517 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.886 -3.525 -9.222 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.304 -7.685 -8.514 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -16.230 -5.685 -9.788 1.00 0.00 H new ATOM 719 N HIS A 51 -10.132 -2.789 -6.364 1.00 0.00 N ATOM 720 CA HIS A 51 -9.259 -1.639 -6.159 1.00 0.00 C ATOM 721 C HIS A 51 -8.572 -1.713 -4.798 1.00 0.00 C ATOM 722 O HIS A 51 -8.770 -2.665 -4.043 1.00 0.00 O ATOM 723 CB HIS A 51 -10.057 -0.339 -6.272 1.00 0.00 C ATOM 724 CG HIS A 51 -10.956 -0.086 -5.101 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.330 -0.174 -5.176 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.671 0.254 -3.823 1.00 0.00 C ATOM 727 CE1 HIS A 51 -12.851 0.102 -3.994 1.00 0.00 C ATOM 728 NE2 HIS A 51 -11.865 0.364 -3.155 1.00 0.00 N ATOM 0 H HIS A 51 -10.554 -3.156 -5.511 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.492 -1.654 -6.934 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.364 0.496 -6.375 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.657 -0.368 -7.181 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.687 0.410 -3.406 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.904 0.112 -3.754 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.973 0.608 -2.171 1.00 0.00 H new ATOM 737 N TYR A 52 -7.766 -0.702 -4.492 1.00 0.00 N ATOM 738 CA TYR A 52 -7.049 -0.654 -3.224 1.00 0.00 C ATOM 739 C TYR A 52 -7.384 0.620 -2.456 1.00 0.00 C ATOM 740 O TYR A 52 -7.522 1.694 -3.044 1.00 0.00 O ATOM 741 CB TYR A 52 -5.541 -0.737 -3.463 1.00 0.00 C ATOM 742 CG TYR A 52 -5.073 -2.102 -3.915 1.00 0.00 C ATOM 743 CD1 TYR A 52 -4.690 -3.067 -2.992 1.00 0.00 C ATOM 744 CD2 TYR A 52 -5.014 -2.426 -5.264 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.262 -4.316 -3.399 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.588 -3.673 -5.681 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.213 -4.613 -4.745 1.00 0.00 C ATOM 748 OH TYR A 52 -3.787 -5.855 -5.156 1.00 0.00 O ATOM 0 H TYR A 52 -7.593 0.095 -5.105 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.363 -1.510 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.260 0.001 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.021 -0.470 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.727 -2.837 -1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.306 -1.691 -6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.968 -5.055 -2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.549 -3.910 -6.734 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.433 -6.229 -5.791 1.00 0.00 H new ATOM 758 N GLN A 53 -7.513 0.494 -1.139 1.00 0.00 N ATOM 759 CA GLN A 53 -7.833 1.637 -0.290 1.00 0.00 C ATOM 760 C GLN A 53 -6.618 2.063 0.528 1.00 0.00 C ATOM 761 O GLN A 53 -6.140 1.318 1.383 1.00 0.00 O ATOM 762 CB GLN A 53 -8.996 1.296 0.642 1.00 0.00 C ATOM 763 CG GLN A 53 -9.720 2.518 1.183 1.00 0.00 C ATOM 764 CD GLN A 53 -11.181 2.246 1.486 1.00 0.00 C ATOM 765 OE1 GLN A 53 -11.869 1.568 0.722 1.00 0.00 O ATOM 766 NE2 GLN A 53 -11.661 2.771 2.606 1.00 0.00 N ATOM 0 H GLN A 53 -7.401 -0.387 -0.637 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.124 2.467 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.709 0.669 0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.620 0.707 1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.222 2.858 2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.648 3.328 0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.055 3.326 3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.636 2.619 2.863 1.00 0.00 H new ATOM 775 N VAL A 54 -6.123 3.267 0.258 1.00 0.00 N ATOM 776 CA VAL A 54 -4.964 3.793 0.969 1.00 0.00 C ATOM 777 C VAL A 54 -5.368 4.901 1.935 1.00 0.00 C ATOM 778 O VAL A 54 -6.118 5.807 1.577 1.00 0.00 O ATOM 779 CB VAL A 54 -3.906 4.340 -0.008 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.709 4.890 0.753 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.475 3.258 -0.987 1.00 0.00 C ATOM 0 H VAL A 54 -6.506 3.896 -0.448 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.535 2.963 1.531 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.350 5.157 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.972 5.272 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.035 5.697 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.261 4.096 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.727 3.662 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.049 2.419 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.340 2.917 -1.556 1.00 0.00 H new ATOM 791 N ASP A 55 -4.866 4.819 3.163 1.00 0.00 N ATOM 792 CA ASP A 55 -5.174 5.816 4.183 1.00 0.00 C ATOM 793 C ASP A 55 -3.896 6.373 4.802 1.00 0.00 C ATOM 794 O ASP A 55 -3.078 5.626 5.340 1.00 0.00 O ATOM 795 CB ASP A 55 -6.059 5.206 5.270 1.00 0.00 C ATOM 796 CG ASP A 55 -6.979 6.230 5.908 1.00 0.00 C ATOM 797 OD1 ASP A 55 -6.938 7.406 5.492 1.00 0.00 O ATOM 798 OD2 ASP A 55 -7.741 5.853 6.822 1.00 0.00 O ATOM 0 H ASP A 55 -4.245 4.073 3.476 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.711 6.636 3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.657 4.402 4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.429 4.758 6.039 1.00 0.00 H new ATOM 803 N VAL A 56 -3.729 7.689 4.720 1.00 0.00 N ATOM 804 CA VAL A 56 -2.551 8.345 5.272 1.00 0.00 C ATOM 805 C VAL A 56 -2.943 9.502 6.184 1.00 0.00 C ATOM 806 O VAL A 56 -3.963 10.157 5.972 1.00 0.00 O ATOM 807 CB VAL A 56 -1.629 8.876 4.157 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.304 10.010 3.400 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.298 9.329 4.737 1.00 0.00 C ATOM 0 H VAL A 56 -4.395 8.321 4.276 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.014 7.594 5.851 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.436 8.066 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.638 10.372 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.229 9.648 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.530 10.824 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.340 9.701 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.469 10.124 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.190 8.487 5.229 1.00 0.00 H new ATOM 819 N LYS A 57 -2.125 9.749 7.203 1.00 0.00 N ATOM 820 CA LYS A 57 -2.384 10.828 8.148 1.00 0.00 C ATOM 821 C LYS A 57 -1.164 11.088 9.025 1.00 0.00 C ATOM 822 O LYS A 57 -0.361 10.189 9.267 1.00 0.00 O ATOM 823 CB LYS A 57 -3.592 10.488 9.024 1.00 0.00 C ATOM 824 CG LYS A 57 -3.628 11.253 10.335 1.00 0.00 C ATOM 825 CD LYS A 57 -4.719 10.732 11.256 1.00 0.00 C ATOM 826 CE LYS A 57 -4.266 9.492 12.011 1.00 0.00 C ATOM 827 NZ LYS A 57 -3.287 9.822 13.083 1.00 0.00 N ATOM 0 H LYS A 57 -1.277 9.216 7.395 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.599 11.732 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.505 10.697 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.586 9.419 9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.661 11.171 10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.794 12.311 10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.999 11.510 11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.609 10.499 10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.132 8.998 12.450 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.816 8.786 11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.258 9.048 13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.343 9.947 12.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.575 10.702 13.557 1.00 0.00 H new ATOM 841 N GLU A 58 -1.033 12.323 9.499 1.00 0.00 N ATOM 842 CA GLU A 58 0.090 12.699 10.350 1.00 0.00 C ATOM 843 C GLU A 58 0.042 11.947 11.678 1.00 0.00 C ATOM 844 O GLU A 58 -1.019 11.811 12.289 1.00 0.00 O ATOM 845 CB GLU A 58 0.082 14.208 10.606 1.00 0.00 C ATOM 846 CG GLU A 58 0.870 15.002 9.577 1.00 0.00 C ATOM 847 CD GLU A 58 0.432 16.452 9.500 1.00 0.00 C ATOM 848 OE1 GLU A 58 -0.682 16.711 9.000 1.00 0.00 O ATOM 849 OE2 GLU A 58 1.206 17.328 9.940 1.00 0.00 O ATOM 0 H GLU A 58 -1.690 13.080 9.308 1.00 0.00 H new ATOM 0 HA GLU A 58 1.011 12.430 9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.949 14.562 10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.494 14.403 11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.931 14.959 9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.752 14.538 8.598 1.00 0.00 H new ATOM 856 N VAL A 59 1.198 11.463 12.119 1.00 0.00 N ATOM 857 CA VAL A 59 1.289 10.727 13.374 1.00 0.00 C ATOM 858 C VAL A 59 0.669 11.516 14.521 1.00 0.00 C ATOM 859 O VAL A 59 0.334 10.955 15.564 1.00 0.00 O ATOM 860 CB VAL A 59 2.752 10.396 13.725 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.614 11.647 13.655 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.837 9.757 15.103 1.00 0.00 C ATOM 0 H VAL A 59 2.085 11.567 11.626 1.00 0.00 H new ATOM 0 HA VAL A 59 0.736 9.798 13.236 1.00 0.00 H new ATOM 0 HB VAL A 59 3.130 9.682 12.994 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.644 11.394 13.906 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.577 12.058 12.646 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.240 12.387 14.362 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.877 9.530 15.335 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.441 10.446 15.849 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.253 8.837 15.114 1.00 0.00 H new ATOM 872 N ALA A 60 0.516 12.820 14.320 1.00 0.00 N ATOM 873 CA ALA A 60 -0.067 13.687 15.336 1.00 0.00 C ATOM 874 C ALA A 60 -1.544 13.943 15.059 1.00 0.00 C ATOM 875 O ALA A 60 -2.362 13.978 15.978 1.00 0.00 O ATOM 876 CB ALA A 60 0.694 15.003 15.408 1.00 0.00 C ATOM 0 H ALA A 60 0.788 13.300 13.462 1.00 0.00 H new ATOM 0 HA ALA A 60 0.013 13.181 16.298 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.247 15.640 16.171 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.736 14.807 15.663 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.645 15.505 14.442 1.00 0.00 H new ATOM 882 N SER A 61 -1.880 14.122 13.785 1.00 0.00 N ATOM 883 CA SER A 61 -3.258 14.379 13.386 1.00 0.00 C ATOM 884 C SER A 61 -4.184 13.277 13.892 1.00 0.00 C ATOM 885 O SER A 61 -3.729 12.263 14.419 1.00 0.00 O ATOM 886 CB SER A 61 -3.360 14.487 11.863 1.00 0.00 C ATOM 887 OG SER A 61 -4.713 14.511 11.442 1.00 0.00 O ATOM 0 H SER A 61 -1.216 14.094 13.012 1.00 0.00 H new ATOM 0 HA SER A 61 -3.568 15.324 13.831 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.855 15.392 11.525 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.847 13.644 11.400 1.00 0.00 H new ATOM 0 HG SER A 61 -4.750 14.582 10.465 1.00 0.00 H new ATOM 893 N GLU A 62 -5.487 13.485 13.725 1.00 0.00 N ATOM 894 CA GLU A 62 -6.477 12.509 14.166 1.00 0.00 C ATOM 895 C GLU A 62 -7.377 12.088 13.008 1.00 0.00 C ATOM 896 O GLU A 62 -8.008 11.030 13.051 1.00 0.00 O ATOM 897 CB GLU A 62 -7.325 13.087 15.301 1.00 0.00 C ATOM 898 CG GLU A 62 -8.340 12.105 15.863 1.00 0.00 C ATOM 899 CD GLU A 62 -9.650 12.119 15.100 1.00 0.00 C ATOM 900 OE1 GLU A 62 -10.038 13.199 14.608 1.00 0.00 O ATOM 901 OE2 GLU A 62 -10.286 11.050 14.993 1.00 0.00 O ATOM 0 H GLU A 62 -5.881 14.319 13.289 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.946 11.629 14.531 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.666 13.415 16.105 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.849 13.971 14.938 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.920 11.100 15.837 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.531 12.344 16.909 1.00 0.00 H new ATOM 908 N ILE A 63 -7.431 12.920 11.974 1.00 0.00 N ATOM 909 CA ILE A 63 -8.253 12.634 10.805 1.00 0.00 C ATOM 910 C ILE A 63 -7.471 11.838 9.765 1.00 0.00 C ATOM 911 O ILE A 63 -6.328 12.168 9.447 1.00 0.00 O ATOM 912 CB ILE A 63 -8.779 13.928 10.156 1.00 0.00 C ATOM 913 CG1 ILE A 63 -9.639 14.710 11.151 1.00 0.00 C ATOM 914 CG2 ILE A 63 -9.573 13.605 8.899 1.00 0.00 C ATOM 915 CD1 ILE A 63 -9.741 16.185 10.832 1.00 0.00 C ATOM 0 H ILE A 63 -6.915 13.798 11.922 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.100 12.041 11.152 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.928 14.548 9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.641 14.280 11.169 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.223 14.591 12.151 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.938 14.529 8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.932 13.086 8.187 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.419 12.968 9.157 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.365 16.676 11.578 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.746 16.629 10.842 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.186 16.314 9.845 1.00 0.00 H new ATOM 927 N TRP A 64 -8.095 10.791 9.238 1.00 0.00 N ATOM 928 CA TRP A 64 -7.458 9.949 8.232 1.00 0.00 C ATOM 929 C TRP A 64 -7.908 10.342 6.829 1.00 0.00 C ATOM 930 O TRP A 64 -9.080 10.643 6.604 1.00 0.00 O ATOM 931 CB TRP A 64 -7.782 8.477 8.491 1.00 0.00 C ATOM 932 CG TRP A 64 -6.977 7.879 9.605 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.276 7.903 10.936 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.738 7.170 9.483 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.299 7.252 11.650 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.346 6.792 10.781 1.00 0.00 C ATOM 937 CE3 TRP A 64 -4.925 6.815 8.402 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.174 6.079 11.026 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.763 6.108 8.648 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.397 5.745 9.951 1.00 0.00 C ATOM 0 H TRP A 64 -9.041 10.505 9.490 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.380 10.095 8.302 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.842 8.382 8.726 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.606 7.907 7.578 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.152 8.366 11.365 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.286 7.131 12.663 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.200 7.088 7.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.889 5.800 12.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.126 5.830 7.821 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.484 5.191 10.110 1.00 0.00 H new ATOM 951 N LYS A 65 -6.970 10.336 5.888 1.00 0.00 N ATOM 952 CA LYS A 65 -7.269 10.691 4.506 1.00 0.00 C ATOM 953 C LYS A 65 -7.267 9.453 3.615 1.00 0.00 C ATOM 954 O LYS A 65 -6.257 8.757 3.506 1.00 0.00 O ATOM 955 CB LYS A 65 -6.251 11.709 3.987 1.00 0.00 C ATOM 956 CG LYS A 65 -6.606 13.147 4.320 1.00 0.00 C ATOM 957 CD LYS A 65 -6.075 14.110 3.271 1.00 0.00 C ATOM 958 CE LYS A 65 -6.939 15.357 3.171 1.00 0.00 C ATOM 959 NZ LYS A 65 -8.371 15.023 2.934 1.00 0.00 N ATOM 0 H LYS A 65 -5.995 10.089 6.058 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.264 11.136 4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.272 11.478 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.165 11.606 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.689 13.248 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.195 13.408 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.053 14.394 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.040 13.611 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.849 15.936 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.574 15.987 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.828 15.802 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.436 14.150 2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.850 14.883 3.846 1.00 0.00 H new ATOM 973 N ILE A 66 -8.402 9.186 2.978 1.00 0.00 N ATOM 974 CA ILE A 66 -8.529 8.034 2.093 1.00 0.00 C ATOM 975 C ILE A 66 -8.307 8.431 0.638 1.00 0.00 C ATOM 976 O ILE A 66 -8.825 9.448 0.175 1.00 0.00 O ATOM 977 CB ILE A 66 -9.912 7.370 2.229 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.160 6.948 3.678 1.00 0.00 C ATOM 979 CG2 ILE A 66 -10.018 6.172 1.297 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.348 5.746 4.105 1.00 0.00 C ATOM 0 H ILE A 66 -9.247 9.752 3.058 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.762 7.320 2.392 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.676 8.095 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.928 7.785 4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.219 6.725 3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -11.001 5.713 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.881 6.500 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.248 5.444 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.575 5.504 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.597 4.895 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.286 5.972 4.009 1.00 0.00 H new ATOM 992 N VAL A 67 -7.537 7.620 -0.080 1.00 0.00 N ATOM 993 CA VAL A 67 -7.250 7.885 -1.485 1.00 0.00 C ATOM 994 C VAL A 67 -7.334 6.608 -2.313 1.00 0.00 C ATOM 995 O VAL A 67 -6.472 5.734 -2.215 1.00 0.00 O ATOM 996 CB VAL A 67 -5.853 8.508 -1.664 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.540 8.703 -3.140 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.758 9.828 -0.913 1.00 0.00 C ATOM 0 H VAL A 67 -7.101 6.774 0.288 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.003 8.592 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.114 7.824 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.549 9.144 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.564 7.739 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.282 9.366 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.764 10.254 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.506 10.521 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.935 9.656 0.149 1.00 0.00 H new ATOM 1008 N ARG A 68 -8.378 6.507 -3.130 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.576 5.335 -3.975 1.00 0.00 C ATOM 1010 C ARG A 68 -7.850 5.497 -5.308 1.00 0.00 C ATOM 1011 O ARG A 68 -7.667 6.614 -5.794 1.00 0.00 O ATOM 1012 CB ARG A 68 -10.067 5.101 -4.220 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.820 4.625 -2.988 1.00 0.00 C ATOM 1014 CD ARG A 68 -11.303 5.794 -2.143 1.00 0.00 C ATOM 1015 NE ARG A 68 -12.021 5.348 -0.952 1.00 0.00 N ATOM 1016 CZ ARG A 68 -12.797 6.141 -0.222 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -12.953 7.414 -0.559 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -13.418 5.662 0.848 1.00 0.00 N ATOM 0 H ARG A 68 -9.099 7.222 -3.225 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.161 4.471 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.518 6.028 -4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.185 4.364 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.673 4.019 -3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.172 3.985 -2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.450 6.403 -1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.955 6.430 -2.742 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.921 4.374 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.477 7.786 -1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.550 8.021 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.300 4.684 1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.014 6.272 1.408 1.00 0.00 H new ATOM 1032 N SER A 69 -7.439 4.377 -5.892 1.00 0.00 N ATOM 1033 CA SER A 69 -6.730 4.396 -7.166 1.00 0.00 C ATOM 1034 C SER A 69 -7.710 4.328 -8.335 1.00 0.00 C ATOM 1035 O SER A 69 -8.908 4.117 -8.144 1.00 0.00 O ATOM 1036 CB SER A 69 -5.746 3.227 -7.243 1.00 0.00 C ATOM 1037 OG SER A 69 -6.431 1.987 -7.305 1.00 0.00 O ATOM 0 H SER A 69 -7.584 3.445 -5.504 1.00 0.00 H new ATOM 0 HA SER A 69 -6.177 5.333 -7.232 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.111 3.339 -8.122 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.091 3.241 -6.372 1.00 0.00 H new ATOM 0 HG SER A 69 -6.595 1.750 -8.242 1.00 0.00 H new ATOM 1043 N HIS A 70 -7.191 4.510 -9.545 1.00 0.00 N ATOM 1044 CA HIS A 70 -8.018 4.470 -10.745 1.00 0.00 C ATOM 1045 C HIS A 70 -8.436 3.039 -11.069 1.00 0.00 C ATOM 1046 O HIS A 70 -9.619 2.703 -11.029 1.00 0.00 O ATOM 1047 CB HIS A 70 -7.265 5.075 -11.930 1.00 0.00 C ATOM 1048 CG HIS A 70 -8.017 4.993 -13.223 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -8.607 6.086 -13.821 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -8.272 3.939 -14.034 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -9.195 5.709 -14.942 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -9.005 4.411 -15.095 1.00 0.00 N ATOM 0 H HIS A 70 -6.202 4.687 -9.720 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.916 5.058 -10.557 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.044 6.120 -11.714 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.309 4.563 -12.042 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.958 2.918 -13.876 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.738 6.352 -15.618 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.347 3.850 -15.875 1.00 0.00 H new ATOM 1061 N GLY A 71 -7.457 2.201 -11.391 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.743 0.815 -11.718 1.00 0.00 C ATOM 1063 C GLY A 71 -7.351 -0.136 -10.605 1.00 0.00 C ATOM 1064 O GLY A 71 -7.548 0.160 -9.427 1.00 0.00 O ATOM 0 H GLY A 71 -6.470 2.456 -11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.807 0.706 -11.927 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.210 0.542 -12.629 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.796 -1.285 -10.979 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.376 -2.284 -10.004 1.00 0.00 C ATOM 1070 C VAL A 72 -4.882 -2.180 -9.718 1.00 0.00 C ATOM 1071 O VAL A 72 -4.299 -3.059 -9.086 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.696 -3.710 -10.488 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -8.198 -3.954 -10.477 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -6.121 -3.942 -11.877 1.00 0.00 C ATOM 0 H VAL A 72 -6.627 -1.547 -11.950 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.933 -2.085 -9.088 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.232 -4.420 -9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.405 -4.967 -10.822 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.579 -3.831 -9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.688 -3.239 -11.138 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.356 -4.955 -12.204 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.555 -3.226 -12.575 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.039 -3.812 -11.849 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.269 -1.098 -10.189 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.843 -0.879 -9.984 1.00 0.00 C ATOM 1086 C GLN A 73 -2.450 -1.163 -8.538 1.00 0.00 C ATOM 1087 O GLN A 73 -3.304 -1.231 -7.653 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.468 0.558 -10.352 1.00 0.00 C ATOM 1089 CG GLN A 73 -3.182 1.607 -9.515 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.266 2.951 -10.211 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -3.458 3.024 -11.425 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -3.121 4.026 -9.445 1.00 0.00 N ATOM 0 H GLN A 73 -4.738 -0.360 -10.715 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.300 -1.567 -10.631 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.392 0.684 -10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.698 0.727 -11.404 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.189 1.258 -9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.660 1.726 -8.566 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.963 3.921 -8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.167 4.957 -9.859 1.00 0.00 H new ATOM 1101 N THR A 74 -1.153 -1.332 -8.304 1.00 0.00 N ATOM 1102 CA THR A 74 -0.646 -1.612 -6.967 1.00 0.00 C ATOM 1103 C THR A 74 0.258 -0.489 -6.475 1.00 0.00 C ATOM 1104 O THR A 74 0.924 -0.619 -5.448 1.00 0.00 O ATOM 1105 CB THR A 74 0.134 -2.940 -6.927 1.00 0.00 C ATOM 1106 OG1 THR A 74 0.982 -3.043 -8.077 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.817 -4.126 -6.884 1.00 0.00 C ATOM 0 H THR A 74 -0.433 -1.280 -9.025 1.00 0.00 H new ATOM 0 HA THR A 74 -1.513 -1.690 -6.311 1.00 0.00 H new ATOM 0 HB THR A 74 0.743 -2.952 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.476 -3.889 -8.044 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.243 -5.052 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.442 -4.059 -5.993 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.449 -4.118 -7.772 1.00 0.00 H new ATOM 1115 N MET A 75 0.278 0.615 -7.214 1.00 0.00 N ATOM 1116 CA MET A 75 1.101 1.763 -6.850 1.00 0.00 C ATOM 1117 C MET A 75 0.289 3.054 -6.906 1.00 0.00 C ATOM 1118 O MET A 75 -0.425 3.308 -7.876 1.00 0.00 O ATOM 1119 CB MET A 75 2.310 1.866 -7.783 1.00 0.00 C ATOM 1120 CG MET A 75 3.226 3.036 -7.461 1.00 0.00 C ATOM 1121 SD MET A 75 2.769 4.540 -8.345 1.00 0.00 S ATOM 1122 CE MET A 75 3.662 4.315 -9.882 1.00 0.00 C ATOM 0 H MET A 75 -0.266 0.739 -8.068 1.00 0.00 H new ATOM 0 HA MET A 75 1.451 1.619 -5.828 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.883 0.940 -7.727 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.959 1.962 -8.811 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.201 3.228 -6.388 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.252 2.769 -7.713 1.00 0.00 H new ATOM 0 HE1 MET A 75 3.811 5.283 -10.362 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.631 3.859 -9.677 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.089 3.666 -10.544 1.00 0.00 H new ATOM 1132 N VAL A 76 0.405 3.867 -5.860 1.00 0.00 N ATOM 1133 CA VAL A 76 -0.318 5.131 -5.791 1.00 0.00 C ATOM 1134 C VAL A 76 0.579 6.248 -5.270 1.00 0.00 C ATOM 1135 O VAL A 76 1.478 6.012 -4.462 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.559 5.020 -4.886 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -2.101 6.400 -4.550 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.627 4.165 -5.551 1.00 0.00 C ATOM 0 H VAL A 76 0.993 3.672 -5.049 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.638 5.368 -6.805 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.266 4.536 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.978 6.301 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.335 6.975 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.380 6.915 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.497 4.097 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.919 4.619 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.231 3.166 -5.734 1.00 0.00 H new ATOM 1148 N VAL A 77 0.329 7.467 -5.737 1.00 0.00 N ATOM 1149 CA VAL A 77 1.113 8.623 -5.317 1.00 0.00 C ATOM 1150 C VAL A 77 0.288 9.556 -4.437 1.00 0.00 C ATOM 1151 O VAL A 77 -0.847 9.901 -4.771 1.00 0.00 O ATOM 1152 CB VAL A 77 1.641 9.413 -6.529 1.00 0.00 C ATOM 1153 CG1 VAL A 77 0.581 10.379 -7.040 1.00 0.00 C ATOM 1154 CG2 VAL A 77 2.919 10.154 -6.166 1.00 0.00 C ATOM 0 H VAL A 77 -0.410 7.680 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 77 1.959 8.241 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 77 1.871 8.708 -7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.972 10.928 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.305 9.821 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.316 11.081 -6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.278 10.707 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.718 10.849 -5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.678 9.438 -5.852 1.00 0.00 H new ATOM 1164 N LEU A 78 0.865 9.961 -3.311 1.00 0.00 N ATOM 1165 CA LEU A 78 0.184 10.855 -2.381 1.00 0.00 C ATOM 1166 C LEU A 78 0.598 12.304 -2.617 1.00 0.00 C ATOM 1167 O LEU A 78 1.706 12.576 -3.077 1.00 0.00 O ATOM 1168 CB LEU A 78 0.492 10.452 -0.938 1.00 0.00 C ATOM 1169 CG LEU A 78 0.004 9.069 -0.507 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.565 8.706 0.859 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.516 9.022 -0.491 1.00 0.00 C ATOM 0 H LEU A 78 1.803 9.685 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.889 10.771 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.571 10.496 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.051 11.194 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 78 0.363 8.336 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.207 7.718 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.654 8.698 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.237 9.441 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.846 8.030 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.896 9.766 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.897 9.237 -1.489 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.301 13.230 -2.297 1.00 0.00 N ATOM 1184 CA ASN A 79 -0.028 14.652 -2.473 1.00 0.00 C ATOM 1185 C ASN A 79 -0.598 15.462 -1.312 1.00 0.00 C ATOM 1186 O ASN A 79 -1.166 14.906 -0.374 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.621 15.146 -3.794 1.00 0.00 C ATOM 1188 CG ASN A 79 -1.968 14.517 -4.095 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -2.999 15.190 -4.072 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -1.964 13.220 -4.379 1.00 0.00 N ATOM 0 H ASN A 79 -1.223 13.021 -1.915 1.00 0.00 H new ATOM 0 HA ASN A 79 1.053 14.790 -2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.729 16.230 -3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.071 14.922 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.840 12.741 -4.590 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.085 12.702 -4.386 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.441 16.780 -1.386 1.00 0.00 N ATOM 1198 CA ASN A 80 -0.940 17.667 -0.341 1.00 0.00 C ATOM 1199 C ASN A 80 -0.317 17.323 1.008 1.00 0.00 C ATOM 1200 O ASN A 80 -1.001 17.302 2.033 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.464 17.576 -0.250 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.158 18.560 -1.173 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -3.848 19.473 -0.720 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -2.977 18.377 -2.475 1.00 0.00 N ATOM 0 H ASN A 80 0.027 17.257 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.659 18.688 -0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.780 16.563 -0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.776 17.764 0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.418 19.007 -3.145 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.396 17.606 -2.806 1.00 0.00 H new ATOM 1211 N LEU A 81 0.984 17.052 1.003 1.00 0.00 N ATOM 1212 CA LEU A 81 1.699 16.709 2.226 1.00 0.00 C ATOM 1213 C LEU A 81 2.770 17.748 2.541 1.00 0.00 C ATOM 1214 O LEU A 81 3.405 18.291 1.637 1.00 0.00 O ATOM 1215 CB LEU A 81 2.338 15.325 2.096 1.00 0.00 C ATOM 1216 CG LEU A 81 1.488 14.257 1.406 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.338 13.044 1.057 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.318 13.853 2.290 1.00 0.00 C ATOM 0 H LEU A 81 1.565 17.063 0.165 1.00 0.00 H new ATOM 0 HA LEU A 81 0.980 16.695 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.273 15.429 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.593 14.969 3.094 1.00 0.00 H new ATOM 0 HG LEU A 81 1.091 14.676 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.718 12.294 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.143 13.344 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.764 12.624 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.276 13.092 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.694 13.452 3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.304 14.725 2.491 1.00 0.00 H new ATOM 1230 N GLU A 82 2.967 18.019 3.827 1.00 0.00 N ATOM 1231 CA GLU A 82 3.963 18.991 4.260 1.00 0.00 C ATOM 1232 C GLU A 82 5.342 18.348 4.366 1.00 0.00 C ATOM 1233 O GLU A 82 5.489 17.203 4.794 1.00 0.00 O ATOM 1234 CB GLU A 82 3.565 19.598 5.608 1.00 0.00 C ATOM 1235 CG GLU A 82 2.205 20.274 5.592 1.00 0.00 C ATOM 1236 CD GLU A 82 1.999 21.196 6.778 1.00 0.00 C ATOM 1237 OE1 GLU A 82 2.571 20.916 7.853 1.00 0.00 O ATOM 1238 OE2 GLU A 82 1.268 22.197 6.633 1.00 0.00 O ATOM 0 H GLU A 82 2.449 17.579 4.588 1.00 0.00 H new ATOM 0 HA GLU A 82 4.008 19.783 3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.562 18.813 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.320 20.326 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.098 20.845 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.425 19.513 5.588 1.00 0.00 H new ATOM 1245 N PRO A 83 6.378 19.100 3.966 1.00 0.00 N ATOM 1246 CA PRO A 83 7.764 18.624 4.007 1.00 0.00 C ATOM 1247 C PRO A 83 8.288 18.486 5.432 1.00 0.00 C ATOM 1248 O PRO A 83 7.749 19.085 6.362 1.00 0.00 O ATOM 1249 CB PRO A 83 8.535 19.714 3.257 1.00 0.00 C ATOM 1250 CG PRO A 83 7.705 20.941 3.413 1.00 0.00 C ATOM 1251 CD PRO A 83 6.277 20.474 3.445 1.00 0.00 C ATOM 0 HA PRO A 83 7.867 17.631 3.569 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.531 19.854 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.665 19.455 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.962 21.472 4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.871 21.632 2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.663 21.104 4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.825 20.495 2.453 1.00 0.00 H new ATOM 1259 N ASN A 84 9.343 17.695 5.596 1.00 0.00 N ATOM 1260 CA ASN A 84 9.940 17.478 6.909 1.00 0.00 C ATOM 1261 C ASN A 84 8.891 17.009 7.912 1.00 0.00 C ATOM 1262 O ASN A 84 8.940 17.363 9.091 1.00 0.00 O ATOM 1263 CB ASN A 84 10.601 18.764 7.409 1.00 0.00 C ATOM 1264 CG ASN A 84 11.542 18.514 8.574 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.317 17.617 9.386 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.600 19.311 8.659 1.00 0.00 N ATOM 0 H ASN A 84 9.802 17.193 4.836 1.00 0.00 H new ATOM 0 HA ASN A 84 10.698 16.701 6.813 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.154 19.227 6.592 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.830 19.471 7.713 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.268 19.193 9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.745 20.042 7.962 1.00 0.00 H new ATOM 1273 N THR A 85 7.942 16.207 7.438 1.00 0.00 N ATOM 1274 CA THR A 85 6.881 15.689 8.292 1.00 0.00 C ATOM 1275 C THR A 85 6.714 14.185 8.110 1.00 0.00 C ATOM 1276 O THR A 85 7.028 13.638 7.052 1.00 0.00 O ATOM 1277 CB THR A 85 5.537 16.383 8.002 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.600 17.758 8.399 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.400 15.689 8.736 1.00 0.00 C ATOM 0 H THR A 85 7.887 15.902 6.466 1.00 0.00 H new ATOM 0 HA THR A 85 7.174 15.897 9.321 1.00 0.00 H new ATOM 0 HB THR A 85 5.346 16.323 6.931 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.237 18.235 7.827 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.461 16.197 8.516 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.336 14.651 8.410 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.587 15.721 9.809 1.00 0.00 H new ATOM 1287 N THR A 86 6.214 13.520 9.145 1.00 0.00 N ATOM 1288 CA THR A 86 6.005 12.078 9.100 1.00 0.00 C ATOM 1289 C THR A 86 4.521 11.740 8.997 1.00 0.00 C ATOM 1290 O THR A 86 3.689 12.352 9.666 1.00 0.00 O ATOM 1291 CB THR A 86 6.592 11.385 10.344 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.996 11.650 10.435 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.358 9.882 10.288 1.00 0.00 C ATOM 0 H THR A 86 5.946 13.957 10.027 1.00 0.00 H new ATOM 0 HA THR A 86 6.521 11.712 8.212 1.00 0.00 H new ATOM 0 HB THR A 86 6.089 11.783 11.225 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.362 11.208 11.229 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.781 9.414 11.177 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.287 9.682 10.248 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.838 9.472 9.399 1.00 0.00 H new ATOM 1301 N TYR A 87 4.199 10.765 8.156 1.00 0.00 N ATOM 1302 CA TYR A 87 2.815 10.347 7.965 1.00 0.00 C ATOM 1303 C TYR A 87 2.705 8.826 7.929 1.00 0.00 C ATOM 1304 O TYR A 87 3.548 8.145 7.346 1.00 0.00 O ATOM 1305 CB TYR A 87 2.255 10.940 6.670 1.00 0.00 C ATOM 1306 CG TYR A 87 2.526 12.420 6.516 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.809 12.890 6.266 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.497 13.348 6.621 1.00 0.00 C ATOM 1309 CE1 TYR A 87 4.059 14.241 6.126 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.738 14.701 6.480 1.00 0.00 C ATOM 1311 CZ TYR A 87 3.021 15.143 6.234 1.00 0.00 C ATOM 1312 OH TYR A 87 3.266 16.490 6.093 1.00 0.00 O ATOM 0 H TYR A 87 4.877 10.249 7.595 1.00 0.00 H new ATOM 0 HA TYR A 87 2.231 10.716 8.809 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.686 10.410 5.821 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.179 10.771 6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.625 12.187 6.180 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.491 13.006 6.816 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.063 14.590 5.933 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.926 15.409 6.562 1.00 0.00 H new ATOM 0 HH TYR A 87 4.044 16.622 5.512 1.00 0.00 H new ATOM 1322 N GLU A 88 1.658 8.300 8.557 1.00 0.00 N ATOM 1323 CA GLU A 88 1.436 6.860 8.598 1.00 0.00 C ATOM 1324 C GLU A 88 0.472 6.426 7.498 1.00 0.00 C ATOM 1325 O GLU A 88 -0.667 6.887 7.439 1.00 0.00 O ATOM 1326 CB GLU A 88 0.887 6.444 9.965 1.00 0.00 C ATOM 1327 CG GLU A 88 1.531 7.180 11.129 1.00 0.00 C ATOM 1328 CD GLU A 88 0.862 6.872 12.455 1.00 0.00 C ATOM 1329 OE1 GLU A 88 0.058 5.917 12.506 1.00 0.00 O ATOM 1330 OE2 GLU A 88 1.145 7.585 13.440 1.00 0.00 O ATOM 0 H GLU A 88 0.950 8.850 9.044 1.00 0.00 H new ATOM 0 HA GLU A 88 2.394 6.367 8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.188 6.621 9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.036 5.372 10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.585 6.909 11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.487 8.253 10.945 1.00 0.00 H new ATOM 1337 N ILE A 89 0.939 5.537 6.628 1.00 0.00 N ATOM 1338 CA ILE A 89 0.120 5.039 5.529 1.00 0.00 C ATOM 1339 C ILE A 89 -0.105 3.536 5.647 1.00 0.00 C ATOM 1340 O ILE A 89 0.734 2.814 6.187 1.00 0.00 O ATOM 1341 CB ILE A 89 0.762 5.347 4.163 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.250 4.370 3.103 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.278 5.280 4.265 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.610 4.769 1.689 1.00 0.00 C ATOM 0 H ILE A 89 1.881 5.146 6.663 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.839 5.552 5.593 1.00 0.00 H new ATOM 0 HB ILE A 89 0.481 6.357 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.657 3.379 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.834 4.293 3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.718 5.500 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.626 6.011 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.578 4.281 4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.215 4.031 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.181 5.746 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.694 4.818 1.590 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.240 3.071 5.136 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.574 1.653 5.183 1.00 0.00 C ATOM 1358 C ARG A 90 -2.328 1.230 3.926 1.00 0.00 C ATOM 1359 O ARG A 90 -3.260 1.908 3.491 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.415 1.345 6.424 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.675 2.189 6.529 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.477 1.839 7.772 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.718 2.605 7.857 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.439 2.714 8.967 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -6.046 2.109 10.080 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -7.557 3.429 8.966 1.00 0.00 N ATOM 0 H ARG A 90 -1.944 3.656 4.685 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.643 1.088 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.693 0.291 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.806 1.504 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.406 3.245 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.291 2.037 5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.708 0.774 7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.872 2.029 8.659 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.049 3.082 7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.188 1.558 10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.602 2.195 10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.863 3.895 8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.110 3.512 9.819 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.920 0.105 3.347 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.559 -0.408 2.141 1.00 0.00 C ATOM 1382 C VAL A 91 -3.543 -1.524 2.472 1.00 0.00 C ATOM 1383 O VAL A 91 -3.282 -2.360 3.336 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.517 -0.939 1.137 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -2.158 -1.183 -0.220 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.351 0.030 1.018 1.00 0.00 C ATOM 0 H VAL A 91 -1.151 -0.468 3.693 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.098 0.425 1.689 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.134 -1.890 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.407 -1.558 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.957 -1.918 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.571 -0.249 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.375 -0.360 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.716 0.997 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.124 0.149 1.992 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.677 -1.530 1.778 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.700 -2.545 1.997 1.00 0.00 C ATOM 1398 C ALA A 92 -6.352 -2.960 0.682 1.00 0.00 C ATOM 1399 O ALA A 92 -6.508 -2.146 -0.228 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.751 -2.034 2.971 1.00 0.00 C ATOM 0 H ALA A 92 -4.910 -0.844 1.060 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.219 -3.423 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.509 -2.802 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.278 -1.794 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.220 -1.139 2.563 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.729 -4.231 0.589 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.366 -4.753 -0.614 1.00 0.00 C ATOM 1408 C ALA A 93 -8.883 -4.773 -0.468 1.00 0.00 C ATOM 1409 O ALA A 93 -9.415 -5.290 0.515 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.844 -6.148 -0.924 1.00 0.00 C ATOM 0 H ALA A 93 -6.604 -4.918 1.332 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.117 -4.091 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.328 -6.526 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.766 -6.107 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.063 -6.813 -0.088 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.576 -4.208 -1.451 1.00 0.00 N ATOM 1417 CA VAL A 94 -11.033 -4.161 -1.433 1.00 0.00 C ATOM 1418 C VAL A 94 -11.620 -4.839 -2.665 1.00 0.00 C ATOM 1419 O VAL A 94 -11.262 -4.513 -3.796 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.548 -2.711 -1.363 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -13.062 -2.674 -1.503 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.108 -2.053 -0.064 1.00 0.00 C ATOM 0 H VAL A 94 -9.151 -3.776 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.355 -4.696 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.117 -2.150 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.407 -1.641 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.349 -3.105 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.516 -3.249 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.480 -1.029 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.509 -2.613 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.019 -2.045 -0.011 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.526 -5.785 -2.439 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.164 -6.509 -3.532 1.00 0.00 C ATOM 1434 C ASN A 95 -14.673 -6.592 -3.321 1.00 0.00 C ATOM 1435 O ASN A 95 -15.187 -6.209 -2.271 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.577 -7.917 -3.650 1.00 0.00 C ATOM 1437 CG ASN A 95 -12.992 -8.816 -2.501 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -13.646 -8.372 -1.557 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -12.613 -10.086 -2.576 1.00 0.00 N ATOM 0 H ASN A 95 -12.835 -6.068 -1.509 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.973 -5.964 -4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.898 -8.364 -4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.489 -7.852 -3.682 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.863 -10.738 -1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.072 -10.410 -3.377 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.378 -7.096 -4.330 1.00 0.00 N ATOM 1447 CA GLY A 96 -16.822 -7.221 -4.236 1.00 0.00 C ATOM 1448 C GLY A 96 -17.274 -7.719 -2.878 1.00 0.00 C ATOM 1449 O GLY A 96 -18.396 -7.448 -2.450 1.00 0.00 O ATOM 0 H GLY A 96 -14.976 -7.420 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.281 -6.253 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.175 -7.906 -5.007 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.399 -8.452 -2.197 1.00 0.00 N ATOM 1454 CA LYS A 97 -16.712 -8.991 -0.880 1.00 0.00 C ATOM 1455 C LYS A 97 -16.762 -7.880 0.164 1.00 0.00 C ATOM 1456 O LYS A 97 -17.733 -7.761 0.912 1.00 0.00 O ATOM 1457 CB LYS A 97 -15.674 -10.040 -0.474 1.00 0.00 C ATOM 1458 CG LYS A 97 -16.230 -11.129 0.427 1.00 0.00 C ATOM 1459 CD LYS A 97 -17.301 -11.943 -0.279 1.00 0.00 C ATOM 1460 CE LYS A 97 -16.947 -12.186 -1.738 1.00 0.00 C ATOM 1461 NZ LYS A 97 -17.811 -13.233 -2.352 1.00 0.00 N ATOM 0 H LYS A 97 -15.466 -8.686 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 97 -17.694 -9.462 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.263 -10.499 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.849 -9.544 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.422 -11.787 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.648 -10.679 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.427 -12.899 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.256 -11.421 -0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.051 -11.256 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.902 -12.488 -1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.538 -13.369 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.693 -14.128 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.806 -12.934 -2.304 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.711 -7.068 0.210 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.657 -5.976 1.165 1.00 0.00 C ATOM 1477 C GLY A 98 -14.266 -5.386 1.292 1.00 0.00 C ATOM 1478 O GLY A 98 -13.513 -5.342 0.320 1.00 0.00 O ATOM 0 H GLY A 98 -14.895 -7.147 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.353 -5.195 0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.987 -6.333 2.140 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.928 -4.930 2.493 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.619 -4.337 2.744 1.00 0.00 C ATOM 1484 C GLN A 99 -11.780 -5.233 3.649 1.00 0.00 C ATOM 1485 O GLN A 99 -11.944 -5.229 4.868 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.775 -2.954 3.377 1.00 0.00 C ATOM 1487 CG GLN A 99 -11.462 -2.202 3.528 1.00 0.00 C ATOM 1488 CD GLN A 99 -11.653 -0.699 3.582 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -12.766 -0.210 3.783 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -10.567 0.043 3.400 1.00 0.00 N ATOM 0 H GLN A 99 -14.541 -4.959 3.307 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.105 -4.235 1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.456 -2.360 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.237 -3.063 4.358 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.960 -2.534 4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.807 -2.451 2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.665 -0.404 3.237 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.635 1.060 3.424 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.879 -6.001 3.042 1.00 0.00 N ATOM 1500 CA GLY A 100 -10.028 -6.891 3.809 1.00 0.00 C ATOM 1501 C GLY A 100 -9.256 -6.166 4.893 1.00 0.00 C ATOM 1502 O GLY A 100 -9.466 -4.975 5.122 1.00 0.00 O ATOM 0 H GLY A 100 -10.724 -6.022 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.639 -7.671 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.327 -7.386 3.137 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.362 -6.885 5.563 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.557 -6.302 6.629 1.00 0.00 C ATOM 1508 C ASP A 101 -6.471 -5.395 6.058 1.00 0.00 C ATOM 1509 O ASP A 101 -6.108 -5.507 4.887 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.922 -7.404 7.479 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.943 -8.152 8.315 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -9.051 -8.414 7.801 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -7.634 -8.474 9.480 1.00 0.00 O ATOM 0 H ASP A 101 -8.177 -7.872 5.386 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.214 -5.701 7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.404 -8.108 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.171 -6.965 8.135 1.00 0.00 H new ATOM 1518 N TYR A 102 -5.958 -4.497 6.892 1.00 0.00 N ATOM 1519 CA TYR A 102 -4.917 -3.568 6.468 1.00 0.00 C ATOM 1520 C TYR A 102 -3.533 -4.183 6.648 1.00 0.00 C ATOM 1521 O TYR A 102 -3.344 -5.090 7.459 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.015 -2.263 7.261 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.147 -1.367 6.814 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -6.027 -0.577 5.676 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -7.338 -1.309 7.527 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -7.058 0.244 5.265 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -8.375 -0.492 7.122 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.230 0.283 5.991 1.00 0.00 C ATOM 1529 OH TYR A 102 -9.261 1.099 5.583 1.00 0.00 O ATOM 0 H TYR A 102 -6.246 -4.393 7.865 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.065 -3.354 5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.144 -2.498 8.317 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.075 -1.720 7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.111 -0.606 5.104 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.455 -1.914 8.414 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.947 0.853 4.380 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.294 -0.460 7.688 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.015 1.008 6.203 1.00 0.00 H new ATOM 1539 N SER A 103 -2.566 -3.682 5.886 1.00 0.00 N ATOM 1540 CA SER A 103 -1.199 -4.183 5.958 1.00 0.00 C ATOM 1541 C SER A 103 -0.398 -3.428 7.015 1.00 0.00 C ATOM 1542 O SER A 103 -0.733 -2.299 7.376 1.00 0.00 O ATOM 1543 CB SER A 103 -0.513 -4.053 4.595 1.00 0.00 C ATOM 1544 OG SER A 103 -0.451 -2.700 4.181 1.00 0.00 O ATOM 0 H SER A 103 -2.704 -2.929 5.212 1.00 0.00 H new ATOM 0 HA SER A 103 -1.239 -5.235 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.494 -4.466 4.651 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.057 -4.639 3.854 1.00 0.00 H new ATOM 0 HG SER A 103 -1.324 -2.425 3.830 1.00 0.00 H new ATOM 1550 N LYS A 104 0.662 -4.059 7.508 1.00 0.00 N ATOM 1551 CA LYS A 104 1.512 -3.450 8.524 1.00 0.00 C ATOM 1552 C LYS A 104 1.623 -1.944 8.308 1.00 0.00 C ATOM 1553 O LYS A 104 2.164 -1.491 7.299 1.00 0.00 O ATOM 1554 CB LYS A 104 2.905 -4.084 8.498 1.00 0.00 C ATOM 1555 CG LYS A 104 3.632 -4.008 9.831 1.00 0.00 C ATOM 1556 CD LYS A 104 4.971 -4.724 9.776 1.00 0.00 C ATOM 1557 CE LYS A 104 5.928 -4.195 10.835 1.00 0.00 C ATOM 1558 NZ LYS A 104 5.643 -4.772 12.177 1.00 0.00 N ATOM 0 H LYS A 104 0.953 -4.993 7.220 1.00 0.00 H new ATOM 0 HA LYS A 104 1.057 -3.627 9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.814 -5.129 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.507 -3.588 7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.787 -2.964 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.013 -4.452 10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.820 -5.794 9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.413 -4.597 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.953 -4.431 10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.852 -3.109 10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.316 -4.387 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.674 -4.526 12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.740 -5.807 12.138 1.00 0.00 H new ATOM 1572 N ILE A 105 1.111 -1.174 9.262 1.00 0.00 N ATOM 1573 CA ILE A 105 1.155 0.279 9.176 1.00 0.00 C ATOM 1574 C ILE A 105 2.544 0.764 8.771 1.00 0.00 C ATOM 1575 O ILE A 105 3.539 0.431 9.413 1.00 0.00 O ATOM 1576 CB ILE A 105 0.766 0.935 10.515 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.695 0.626 10.852 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.996 2.437 10.455 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.684 1.340 9.958 1.00 0.00 C ATOM 0 H ILE A 105 0.661 -1.533 10.104 1.00 0.00 H new ATOM 0 HA ILE A 105 0.433 0.572 8.414 1.00 0.00 H new ATOM 0 HB ILE A 105 1.396 0.523 11.303 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.858 -0.449 10.775 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.887 0.904 11.888 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.717 2.886 11.408 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.049 2.636 10.255 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.388 2.867 9.659 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.699 1.075 10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.548 2.417 10.053 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.518 1.043 8.922 1.00 0.00 H new ATOM 1591 N GLU A 106 2.600 1.553 7.703 1.00 0.00 N ATOM 1592 CA GLU A 106 3.867 2.085 7.213 1.00 0.00 C ATOM 1593 C GLU A 106 4.065 3.527 7.671 1.00 0.00 C ATOM 1594 O GLU A 106 3.104 4.287 7.798 1.00 0.00 O ATOM 1595 CB GLU A 106 3.920 2.010 5.685 1.00 0.00 C ATOM 1596 CG GLU A 106 4.157 0.608 5.153 1.00 0.00 C ATOM 1597 CD GLU A 106 5.544 0.087 5.476 1.00 0.00 C ATOM 1598 OE1 GLU A 106 6.475 0.913 5.593 1.00 0.00 O ATOM 1599 OE2 GLU A 106 5.700 -1.144 5.614 1.00 0.00 O ATOM 0 H GLU A 106 1.784 1.838 7.161 1.00 0.00 H new ATOM 0 HA GLU A 106 4.672 1.478 7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.983 2.390 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.713 2.665 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.412 -0.067 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.015 0.605 4.072 1.00 0.00 H new ATOM 1606 N ILE A 107 5.317 3.896 7.917 1.00 0.00 N ATOM 1607 CA ILE A 107 5.642 5.247 8.360 1.00 0.00 C ATOM 1608 C ILE A 107 6.733 5.863 7.491 1.00 0.00 C ATOM 1609 O ILE A 107 7.874 5.402 7.488 1.00 0.00 O ATOM 1610 CB ILE A 107 6.103 5.262 9.830 1.00 0.00 C ATOM 1611 CG1 ILE A 107 5.078 4.550 10.715 1.00 0.00 C ATOM 1612 CG2 ILE A 107 6.319 6.691 10.302 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.592 4.239 12.104 1.00 0.00 C ATOM 0 H ILE A 107 6.123 3.279 7.817 1.00 0.00 H new ATOM 0 HA ILE A 107 4.730 5.837 8.267 1.00 0.00 H new ATOM 0 HB ILE A 107 7.051 4.729 9.905 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.186 5.172 10.797 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.776 3.621 10.232 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.644 6.685 11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.082 7.166 9.686 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.386 7.247 10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.813 3.735 12.676 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.466 3.592 12.032 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.868 5.166 12.606 1.00 0.00 H new ATOM 1625 N PHE A 108 6.373 6.908 6.753 1.00 0.00 N ATOM 1626 CA PHE A 108 7.322 7.589 5.879 1.00 0.00 C ATOM 1627 C PHE A 108 7.352 9.087 6.170 1.00 0.00 C ATOM 1628 O PHE A 108 6.319 9.695 6.454 1.00 0.00 O ATOM 1629 CB PHE A 108 6.958 7.351 4.412 1.00 0.00 C ATOM 1630 CG PHE A 108 5.723 8.085 3.974 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.751 9.455 3.770 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.534 7.404 3.767 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.616 10.133 3.367 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.396 8.077 3.362 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.437 9.444 3.164 1.00 0.00 C ATOM 0 H PHE A 108 5.432 7.302 6.743 1.00 0.00 H new ATOM 0 HA PHE A 108 8.313 7.179 6.072 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.795 7.657 3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.813 6.283 4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.670 9.999 3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.496 6.336 3.924 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.651 11.201 3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.476 7.535 3.201 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.549 9.972 2.851 1.00 0.00 H new ATOM 1645 N GLN A 109 8.542 9.675 6.099 1.00 0.00 N ATOM 1646 CA GLN A 109 8.706 11.100 6.357 1.00 0.00 C ATOM 1647 C GLN A 109 9.195 11.826 5.108 1.00 0.00 C ATOM 1648 O GLN A 109 10.286 11.553 4.605 1.00 0.00 O ATOM 1649 CB GLN A 109 9.689 11.322 7.508 1.00 0.00 C ATOM 1650 CG GLN A 109 10.103 12.774 7.683 1.00 0.00 C ATOM 1651 CD GLN A 109 11.184 12.951 8.731 1.00 0.00 C ATOM 1652 OE1 GLN A 109 11.577 11.995 9.401 1.00 0.00 O ATOM 1653 NE2 GLN A 109 11.670 14.177 8.879 1.00 0.00 N ATOM 0 H GLN A 109 9.406 9.186 5.865 1.00 0.00 H new ATOM 0 HA GLN A 109 7.734 11.507 6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.237 10.968 8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.579 10.717 7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.460 13.163 6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.231 13.365 7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.315 14.939 8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.399 14.357 9.570 1.00 0.00 H new ATOM 1662 N THR A 110 8.382 12.752 4.611 1.00 0.00 N ATOM 1663 CA THR A 110 8.731 13.516 3.419 1.00 0.00 C ATOM 1664 C THR A 110 10.134 14.103 3.534 1.00 0.00 C ATOM 1665 O THR A 110 10.752 14.055 4.598 1.00 0.00 O ATOM 1666 CB THR A 110 7.728 14.659 3.171 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.587 15.453 4.354 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.370 14.107 2.760 1.00 0.00 C ATOM 0 H THR A 110 7.477 12.992 5.015 1.00 0.00 H new ATOM 0 HA THR A 110 8.697 12.823 2.578 1.00 0.00 H new ATOM 0 HB THR A 110 8.111 15.280 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.749 15.959 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.678 14.932 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.475 13.527 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.983 13.466 3.552 1.00 0.00 H new ATOM 1676 N LEU A 111 10.629 14.657 2.433 1.00 0.00 N ATOM 1677 CA LEU A 111 11.960 15.254 2.410 1.00 0.00 C ATOM 1678 C LEU A 111 11.893 16.744 2.728 1.00 0.00 C ATOM 1679 O LEU A 111 10.967 17.449 2.326 1.00 0.00 O ATOM 1680 CB LEU A 111 12.612 15.041 1.044 1.00 0.00 C ATOM 1681 CG LEU A 111 12.980 13.598 0.693 1.00 0.00 C ATOM 1682 CD1 LEU A 111 13.206 13.454 -0.805 1.00 0.00 C ATOM 1683 CD2 LEU A 111 14.215 13.160 1.465 1.00 0.00 C ATOM 0 H LEU A 111 10.129 14.705 1.545 1.00 0.00 H new ATOM 0 HA LEU A 111 12.564 14.765 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.935 15.419 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.517 15.647 0.997 1.00 0.00 H new ATOM 0 HG LEU A 111 12.150 12.952 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.467 12.421 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.295 13.726 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.018 14.111 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.462 12.131 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 111 15.052 13.810 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.017 13.224 2.535 1.00 0.00 H new ATOM 1695 N PRO A 112 12.899 17.238 3.466 1.00 0.00 N ATOM 1696 CA PRO A 112 12.979 18.650 3.851 1.00 0.00 C ATOM 1697 C PRO A 112 13.273 19.560 2.662 1.00 0.00 C ATOM 1698 O PRO A 112 14.317 19.442 2.022 1.00 0.00 O ATOM 1699 CB PRO A 112 14.140 18.681 4.848 1.00 0.00 C ATOM 1700 CG PRO A 112 14.984 17.510 4.482 1.00 0.00 C ATOM 1701 CD PRO A 112 14.036 16.456 3.979 1.00 0.00 C ATOM 0 HA PRO A 112 12.037 19.014 4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.701 19.612 4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.782 18.606 5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.712 17.778 3.716 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.546 17.150 5.344 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.490 15.847 3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.730 15.777 4.775 1.00 0.00 H new ATOM 1709 N VAL A 113 12.346 20.468 2.374 1.00 0.00 N ATOM 1710 CA VAL A 113 12.507 21.398 1.264 1.00 0.00 C ATOM 1711 C VAL A 113 13.954 21.863 1.143 1.00 0.00 C ATOM 1712 O VAL A 113 14.613 22.145 2.144 1.00 0.00 O ATOM 1713 CB VAL A 113 11.596 22.629 1.427 1.00 0.00 C ATOM 1714 CG1 VAL A 113 11.729 23.555 0.227 1.00 0.00 C ATOM 1715 CG2 VAL A 113 10.150 22.199 1.620 1.00 0.00 C ATOM 0 H VAL A 113 11.476 20.579 2.894 1.00 0.00 H new ATOM 0 HA VAL A 113 12.223 20.862 0.358 1.00 0.00 H new ATOM 0 HB VAL A 113 11.911 23.177 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 113 11.078 24.419 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 113 12.763 23.890 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.442 23.021 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.520 23.081 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.821 21.628 0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.071 21.579 2.513 1.00 0.00 H new