USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 18 ASN : amide:sc= 0.425 K(o=0.98,f=-1.9) USER MOD Set 1.2: A 22 GLN : amide:sc= 0.557 K(o=0.98,f=-1.5!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -109:sc= -1.4! (180deg=-4.13!) USER MOD Single : A 25 SER OG : rot 75:sc= 0.25 USER MOD Single : A 29 SER OG : rot 76:sc= 1.26 USER MOD Single : A 30 LYS NZ :NH3+ -136:sc= 1.18 (180deg=0.22) USER MOD Single : A 40 LYS NZ :NH3+ -143:sc= 1.06 (180deg=0.286) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -168:sc=-0.00994 (180deg=-0.0512) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.328) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= 1.26 (180deg=0.344) USER MOD Single : A 84 SER OG : rot 180:sc= 0.128 USER MOD Single : A 85 GLN : amide:sc= -0.0221 X(o=-0.022,f=-0.22) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -98:sc= 1.38 (180deg=-1.67!) USER MOD Single : A 93 ASN : amide:sc=-0.00873 K(o=-0.0087,f=-2.8!) USER MOD Single : A 99 LYS NZ :NH3+ 167:sc= 0.624 (180deg=0.255) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 10.231 -2.528 -5.056 1.00 0.00 N ATOM 191 CA ILE A 16 9.033 -1.716 -4.884 1.00 0.00 C ATOM 192 C ILE A 16 7.822 -2.604 -4.625 1.00 0.00 C ATOM 193 O ILE A 16 7.020 -2.335 -3.734 1.00 0.00 O ATOM 194 CB ILE A 16 8.758 -0.833 -6.120 1.00 0.00 C ATOM 195 CG1 ILE A 16 10.028 -0.088 -6.549 1.00 0.00 C ATOM 196 CG2 ILE A 16 7.633 0.154 -5.827 1.00 0.00 C ATOM 197 CD1 ILE A 16 9.975 0.426 -7.971 1.00 0.00 C ATOM 0 HA ILE A 16 9.206 -1.066 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 16 8.449 -1.479 -6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.193 0.751 -5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.884 -0.755 -6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.451 0.770 -6.708 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.726 -0.394 -5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.918 0.792 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.906 0.942 -8.206 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.841 -0.411 -8.656 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.140 1.118 -8.077 1.00 0.00 H new ATOM 209 N ASN A 17 7.726 -3.690 -5.386 1.00 0.00 N ATOM 210 CA ASN A 17 6.641 -4.655 -5.224 1.00 0.00 C ATOM 211 C ASN A 17 6.657 -5.260 -3.825 1.00 0.00 C ATOM 212 O ASN A 17 5.608 -5.569 -3.261 1.00 0.00 O ATOM 213 CB ASN A 17 6.754 -5.771 -6.266 1.00 0.00 C ATOM 214 CG ASN A 17 5.895 -5.521 -7.490 1.00 0.00 C ATOM 215 OD1 ASN A 17 4.748 -5.970 -7.567 1.00 0.00 O ATOM 216 ND2 ASN A 17 6.446 -4.807 -8.461 1.00 0.00 N ATOM 0 H ASN A 17 8.389 -3.925 -6.124 1.00 0.00 H new ATOM 0 HA ASN A 17 5.699 -4.125 -5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.795 -5.871 -6.573 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.463 -6.718 -5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.919 -4.610 -9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.397 -4.454 -8.358 1.00 0.00 H new ATOM 223 N ASN A 18 7.852 -5.415 -3.269 1.00 0.00 N ATOM 224 CA ASN A 18 8.012 -5.969 -1.930 1.00 0.00 C ATOM 225 C ASN A 18 7.614 -4.947 -0.874 1.00 0.00 C ATOM 226 O ASN A 18 6.910 -5.274 0.079 1.00 0.00 O ATOM 227 CB ASN A 18 9.462 -6.415 -1.704 1.00 0.00 C ATOM 228 CG ASN A 18 9.717 -6.906 -0.285 1.00 0.00 C ATOM 229 OD1 ASN A 18 9.861 -6.113 0.645 1.00 0.00 O ATOM 230 ND2 ASN A 18 9.781 -8.215 -0.111 1.00 0.00 N ATOM 0 H ASN A 18 8.728 -5.164 -3.727 1.00 0.00 H new ATOM 0 HA ASN A 18 7.357 -6.836 -1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.706 -7.211 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.131 -5.582 -1.921 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.955 -8.598 0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.657 -8.842 -0.906 1.00 0.00 H new ATOM 237 N TYR A 19 8.117 -3.724 -1.017 1.00 0.00 N ATOM 238 CA TYR A 19 7.870 -2.673 -0.047 1.00 0.00 C ATOM 239 C TYR A 19 6.407 -2.241 -0.062 1.00 0.00 C ATOM 240 O TYR A 19 5.788 -2.092 0.991 1.00 0.00 O ATOM 241 CB TYR A 19 8.794 -1.492 -0.324 1.00 0.00 C ATOM 242 CG TYR A 19 10.078 -1.556 0.469 1.00 0.00 C ATOM 243 CD1 TYR A 19 10.101 -1.213 1.813 1.00 0.00 C ATOM 244 CD2 TYR A 19 11.264 -1.973 -0.122 1.00 0.00 C ATOM 245 CE1 TYR A 19 11.270 -1.283 2.547 1.00 0.00 C ATOM 246 CE2 TYR A 19 12.437 -2.050 0.605 1.00 0.00 C ATOM 247 CZ TYR A 19 12.434 -1.701 1.938 1.00 0.00 C ATOM 248 OH TYR A 19 13.598 -1.781 2.667 1.00 0.00 O ATOM 0 H TYR A 19 8.702 -3.440 -1.803 1.00 0.00 H new ATOM 0 HA TYR A 19 8.082 -3.060 0.950 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.030 -1.463 -1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.272 -0.565 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.191 -0.886 2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.270 -2.242 -1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.272 -1.012 3.592 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.349 -2.381 0.132 1.00 0.00 H new ATOM 0 HH TYR A 19 14.325 -2.093 2.089 1.00 0.00 H new ATOM 258 N ALA A 20 5.815 -2.199 -1.249 1.00 0.00 N ATOM 259 CA ALA A 20 4.382 -1.968 -1.366 1.00 0.00 C ATOM 260 C ALA A 20 3.628 -3.188 -0.854 1.00 0.00 C ATOM 261 O ALA A 20 2.527 -3.082 -0.313 1.00 0.00 O ATOM 262 CB ALA A 20 3.997 -1.658 -2.809 1.00 0.00 C ATOM 0 H ALA A 20 6.301 -2.321 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 20 4.112 -1.103 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.922 -1.489 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.524 -0.764 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.269 -2.499 -3.447 1.00 0.00 H new ATOM 268 N GLY A 21 4.282 -4.341 -0.950 1.00 0.00 N ATOM 269 CA GLY A 21 3.728 -5.570 -0.421 1.00 0.00 C ATOM 270 C GLY A 21 3.655 -5.556 1.092 1.00 0.00 C ATOM 271 O GLY A 21 2.768 -6.167 1.678 1.00 0.00 O ATOM 0 H GLY A 21 5.196 -4.444 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.730 -5.723 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.339 -6.412 -0.746 1.00 0.00 H new ATOM 275 N GLN A 22 4.552 -4.801 1.719 1.00 0.00 N ATOM 276 CA GLN A 22 4.541 -4.647 3.169 1.00 0.00 C ATOM 277 C GLN A 22 3.252 -3.964 3.610 1.00 0.00 C ATOM 278 O GLN A 22 2.691 -4.283 4.658 1.00 0.00 O ATOM 279 CB GLN A 22 5.746 -3.829 3.640 1.00 0.00 C ATOM 280 CG GLN A 22 7.078 -4.345 3.122 1.00 0.00 C ATOM 281 CD GLN A 22 7.569 -5.569 3.868 1.00 0.00 C ATOM 282 OE1 GLN A 22 7.126 -5.855 4.981 1.00 0.00 O ATOM 283 NE2 GLN A 22 8.487 -6.304 3.259 1.00 0.00 N ATOM 0 H GLN A 22 5.295 -4.287 1.246 1.00 0.00 H new ATOM 0 HA GLN A 22 4.599 -5.638 3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.619 -2.795 3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.767 -3.825 4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.981 -4.586 2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.824 -3.554 3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.828 -6.033 2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.853 -7.141 3.712 1.00 0.00 H new ATOM 292 N ILE A 23 2.757 -3.070 2.764 1.00 0.00 N ATOM 293 CA ILE A 23 1.493 -2.396 3.016 1.00 0.00 C ATOM 294 C ILE A 23 0.339 -3.336 2.697 1.00 0.00 C ATOM 295 O ILE A 23 -0.636 -3.421 3.442 1.00 0.00 O ATOM 296 CB ILE A 23 1.347 -1.108 2.170 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.642 -0.284 2.183 1.00 0.00 C ATOM 298 CG2 ILE A 23 0.179 -0.269 2.670 1.00 0.00 C ATOM 299 CD1 ILE A 23 3.254 -0.118 3.557 1.00 0.00 C ATOM 0 H ILE A 23 3.214 -2.795 1.895 1.00 0.00 H new ATOM 0 HA ILE A 23 1.474 -2.114 4.069 1.00 0.00 H new ATOM 0 HB ILE A 23 1.148 -1.406 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.371 -0.761 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.437 0.702 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.092 0.632 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.742 -0.847 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.350 0.009 3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.165 0.476 3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.545 0.388 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.493 -1.098 3.970 1.00 0.00 H new ATOM 311 N LYS A 24 0.476 -4.052 1.588 1.00 0.00 N ATOM 312 CA LYS A 24 -0.530 -5.006 1.149 1.00 0.00 C ATOM 313 C LYS A 24 -0.770 -6.081 2.200 1.00 0.00 C ATOM 314 O LYS A 24 -1.904 -6.308 2.599 1.00 0.00 O ATOM 315 CB LYS A 24 -0.105 -5.659 -0.163 1.00 0.00 C ATOM 316 CG LYS A 24 -0.247 -4.750 -1.371 1.00 0.00 C ATOM 317 CD LYS A 24 -0.395 -5.551 -2.657 1.00 0.00 C ATOM 318 CE LYS A 24 -1.643 -6.419 -2.630 1.00 0.00 C ATOM 319 NZ LYS A 24 -1.370 -7.781 -2.095 1.00 0.00 N ATOM 0 H LYS A 24 1.285 -3.987 0.971 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.460 -4.459 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.934 -5.978 -0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.703 -6.556 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.115 -4.104 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.625 -4.101 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.441 -4.871 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.484 -6.180 -2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.406 -5.937 -2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.048 -6.501 -3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.424 -8.475 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.419 -7.805 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.076 -8.017 -1.368 1.00 0.00 H new ATOM 333 N SER A 25 0.297 -6.743 2.632 1.00 0.00 N ATOM 334 CA SER A 25 0.195 -7.809 3.623 1.00 0.00 C ATOM 335 C SER A 25 -0.409 -7.295 4.932 1.00 0.00 C ATOM 336 O SER A 25 -1.179 -8.001 5.590 1.00 0.00 O ATOM 337 CB SER A 25 1.570 -8.429 3.871 1.00 0.00 C ATOM 338 OG SER A 25 2.111 -8.958 2.671 1.00 0.00 O ATOM 0 H SER A 25 1.247 -6.559 2.310 1.00 0.00 H new ATOM 0 HA SER A 25 -0.472 -8.576 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.245 -7.676 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.488 -9.219 4.617 1.00 0.00 H new ATOM 0 HG SER A 25 2.428 -8.224 2.104 1.00 0.00 H new ATOM 344 N ALA A 26 -0.126 -6.039 5.260 1.00 0.00 N ATOM 345 CA ALA A 26 -0.715 -5.407 6.433 1.00 0.00 C ATOM 346 C ALA A 26 -2.227 -5.315 6.274 1.00 0.00 C ATOM 347 O ALA A 26 -2.988 -5.727 7.152 1.00 0.00 O ATOM 348 CB ALA A 26 -0.119 -4.021 6.644 1.00 0.00 C ATOM 0 H ALA A 26 0.507 -5.440 4.730 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.491 -6.016 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.569 -3.562 7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.958 -4.106 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.319 -3.402 5.769 1.00 0.00 H new ATOM 354 N ILE A 27 -2.647 -4.795 5.130 1.00 0.00 N ATOM 355 CA ILE A 27 -4.061 -4.654 4.809 1.00 0.00 C ATOM 356 C ILE A 27 -4.720 -6.018 4.603 1.00 0.00 C ATOM 357 O ILE A 27 -5.892 -6.207 4.912 1.00 0.00 O ATOM 358 CB ILE A 27 -4.245 -3.789 3.542 1.00 0.00 C ATOM 359 CG1 ILE A 27 -3.624 -2.405 3.754 1.00 0.00 C ATOM 360 CG2 ILE A 27 -5.715 -3.664 3.183 1.00 0.00 C ATOM 361 CD1 ILE A 27 -3.660 -1.524 2.522 1.00 0.00 C ATOM 0 H ILE A 27 -2.019 -4.459 4.399 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.544 -4.161 5.653 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.735 -4.279 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.150 -1.901 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.589 -2.526 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.820 -3.051 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.129 -4.655 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.253 -3.197 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.203 -0.561 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.109 -2.005 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.694 -1.371 2.214 1.00 0.00 H new ATOM 373 N GLU A 28 -3.958 -6.969 4.085 1.00 0.00 N ATOM 374 CA GLU A 28 -4.459 -8.312 3.841 1.00 0.00 C ATOM 375 C GLU A 28 -4.807 -9.013 5.155 1.00 0.00 C ATOM 376 O GLU A 28 -5.610 -9.941 5.177 1.00 0.00 O ATOM 377 CB GLU A 28 -3.434 -9.128 3.049 1.00 0.00 C ATOM 378 CG GLU A 28 -3.867 -9.406 1.618 1.00 0.00 C ATOM 379 CD GLU A 28 -2.888 -8.877 0.581 1.00 0.00 C ATOM 380 OE1 GLU A 28 -1.796 -9.453 0.433 1.00 0.00 O ATOM 381 OE2 GLU A 28 -3.225 -7.895 -0.114 1.00 0.00 O ATOM 0 H GLU A 28 -2.982 -6.833 3.824 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.371 -8.233 3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.484 -8.593 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.260 -10.075 3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.983 -10.481 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.845 -8.956 1.447 1.00 0.00 H new ATOM 388 N SER A 29 -4.234 -8.525 6.250 1.00 0.00 N ATOM 389 CA SER A 29 -4.523 -9.065 7.576 1.00 0.00 C ATOM 390 C SER A 29 -5.427 -8.116 8.370 1.00 0.00 C ATOM 391 O SER A 29 -5.598 -8.266 9.582 1.00 0.00 O ATOM 392 CB SER A 29 -3.215 -9.312 8.333 1.00 0.00 C ATOM 393 OG SER A 29 -2.171 -9.693 7.444 1.00 0.00 O ATOM 0 H SER A 29 -3.565 -7.755 6.246 1.00 0.00 H new ATOM 0 HA SER A 29 -5.051 -10.011 7.456 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.927 -8.409 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.365 -10.093 9.078 1.00 0.00 H new ATOM 0 HG SER A 29 -1.847 -8.903 6.963 1.00 0.00 H new ATOM 399 N LYS A 30 -6.034 -7.166 7.665 1.00 0.00 N ATOM 400 CA LYS A 30 -6.958 -6.207 8.262 1.00 0.00 C ATOM 401 C LYS A 30 -7.987 -5.835 7.220 1.00 0.00 C ATOM 402 O LYS A 30 -8.323 -4.666 7.032 1.00 0.00 O ATOM 403 CB LYS A 30 -6.215 -4.952 8.723 1.00 0.00 C ATOM 404 CG LYS A 30 -5.827 -4.978 10.188 1.00 0.00 C ATOM 405 CD LYS A 30 -4.327 -5.114 10.349 1.00 0.00 C ATOM 406 CE LYS A 30 -3.935 -5.255 11.812 1.00 0.00 C ATOM 407 NZ LYS A 30 -4.430 -4.121 12.639 1.00 0.00 N ATOM 0 H LYS A 30 -5.899 -7.039 6.662 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.436 -6.655 9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.315 -4.831 8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.842 -4.080 8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.167 -4.064 10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.327 -5.809 10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.977 -5.983 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.833 -4.241 9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.334 -6.190 12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.849 -5.314 11.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.676 -3.806 13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.707 -3.334 12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.253 -4.430 13.195 1.00 0.00 H new ATOM 421 N PHE A 31 -8.287 -6.817 6.397 1.00 0.00 N ATOM 422 CA PHE A 31 -9.040 -6.608 5.196 1.00 0.00 C ATOM 423 C PHE A 31 -10.498 -6.273 5.469 1.00 0.00 C ATOM 424 O PHE A 31 -11.166 -5.729 4.593 1.00 0.00 O ATOM 425 CB PHE A 31 -8.948 -7.864 4.327 1.00 0.00 C ATOM 426 CG PHE A 31 -9.374 -9.139 5.014 1.00 0.00 C ATOM 427 CD1 PHE A 31 -8.561 -9.749 5.957 1.00 0.00 C ATOM 428 CD2 PHE A 31 -10.590 -9.729 4.706 1.00 0.00 C ATOM 429 CE1 PHE A 31 -8.952 -10.918 6.578 1.00 0.00 C ATOM 430 CE2 PHE A 31 -10.986 -10.899 5.324 1.00 0.00 C ATOM 431 CZ PHE A 31 -10.166 -11.493 6.262 1.00 0.00 C ATOM 0 H PHE A 31 -8.010 -7.786 6.551 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.611 -5.750 4.679 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.565 -7.722 3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.919 -7.978 3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.610 -9.304 6.209 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.236 -9.268 3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.308 -11.382 7.311 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.936 -11.348 5.074 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.474 -12.407 6.748 1.00 0.00 H new ATOM 544 N LYS A 40 -13.663 -7.137 -8.278 1.00 0.00 N ATOM 545 CA LYS A 40 -13.506 -5.738 -8.658 1.00 0.00 C ATOM 546 C LYS A 40 -12.034 -5.347 -8.664 1.00 0.00 C ATOM 547 O LYS A 40 -11.177 -6.138 -8.281 1.00 0.00 O ATOM 548 CB LYS A 40 -14.273 -4.845 -7.682 1.00 0.00 C ATOM 549 CG LYS A 40 -15.559 -4.281 -8.251 1.00 0.00 C ATOM 550 CD LYS A 40 -16.773 -5.055 -7.764 1.00 0.00 C ATOM 551 CE LYS A 40 -17.843 -5.137 -8.837 1.00 0.00 C ATOM 552 NZ LYS A 40 -17.968 -3.868 -9.605 1.00 0.00 N ATOM 0 HA LYS A 40 -13.907 -5.605 -9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -14.504 -5.418 -6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.629 -4.020 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.656 -3.234 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.520 -4.312 -9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.472 -6.061 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.182 -4.573 -6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.607 -5.952 -9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.801 -5.376 -8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.968 -3.696 -9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.602 -3.079 -9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.421 -3.941 -10.487 1.00 0.00 H new ATOM 566 N THR A 41 -11.747 -4.116 -9.054 1.00 0.00 N ATOM 567 CA THR A 41 -10.381 -3.608 -9.049 1.00 0.00 C ATOM 568 C THR A 41 -10.375 -2.088 -8.907 1.00 0.00 C ATOM 569 O THR A 41 -10.890 -1.369 -9.764 1.00 0.00 O ATOM 570 CB THR A 41 -9.611 -4.015 -10.324 1.00 0.00 C ATOM 571 OG1 THR A 41 -9.738 -5.427 -10.541 1.00 0.00 O ATOM 572 CG2 THR A 41 -8.136 -3.657 -10.207 1.00 0.00 C ATOM 0 H THR A 41 -12.444 -3.446 -9.380 1.00 0.00 H new ATOM 0 HA THR A 41 -9.875 -4.054 -8.193 1.00 0.00 H new ATOM 0 HB THR A 41 -10.039 -3.471 -11.166 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.249 -5.679 -11.352 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.616 -3.954 -11.118 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.033 -2.581 -10.065 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.701 -4.179 -9.355 1.00 0.00 H new ATOM 580 N CYS A 42 -9.821 -1.613 -7.803 1.00 0.00 N ATOM 581 CA CYS A 42 -9.767 -0.191 -7.511 1.00 0.00 C ATOM 582 C CYS A 42 -8.319 0.256 -7.343 1.00 0.00 C ATOM 583 O CYS A 42 -7.390 -0.552 -7.435 1.00 0.00 O ATOM 584 CB CYS A 42 -10.567 0.114 -6.240 1.00 0.00 C ATOM 585 SG CYS A 42 -11.538 1.654 -6.316 1.00 0.00 S ATOM 0 H CYS A 42 -9.397 -2.202 -7.086 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.207 0.358 -8.344 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -11.243 -0.718 -6.042 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.879 0.174 -5.397 1.00 0.00 H new ATOM 590 N THR A 43 -8.128 1.543 -7.114 1.00 0.00 N ATOM 591 CA THR A 43 -6.801 2.108 -6.952 1.00 0.00 C ATOM 592 C THR A 43 -6.848 3.295 -6.003 1.00 0.00 C ATOM 593 O THR A 43 -7.588 4.256 -6.230 1.00 0.00 O ATOM 594 CB THR A 43 -6.218 2.547 -8.313 1.00 0.00 C ATOM 595 OG1 THR A 43 -6.075 1.406 -9.171 1.00 0.00 O ATOM 596 CG2 THR A 43 -4.870 3.232 -8.144 1.00 0.00 C ATOM 0 H THR A 43 -8.884 2.223 -7.035 1.00 0.00 H new ATOM 0 HA THR A 43 -6.154 1.338 -6.532 1.00 0.00 H new ATOM 0 HB THR A 43 -6.909 3.262 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.706 1.690 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.487 3.528 -9.121 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.987 4.116 -7.517 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.168 2.543 -7.673 1.00 0.00 H new ATOM 604 N LEU A 44 -6.076 3.219 -4.932 1.00 0.00 N ATOM 605 CA LEU A 44 -6.042 4.284 -3.943 1.00 0.00 C ATOM 606 C LEU A 44 -4.906 5.251 -4.238 1.00 0.00 C ATOM 607 O LEU A 44 -3.736 4.906 -4.071 1.00 0.00 O ATOM 608 CB LEU A 44 -5.868 3.703 -2.537 1.00 0.00 C ATOM 609 CG LEU A 44 -7.130 3.114 -1.907 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.856 2.697 -0.469 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.273 4.118 -1.965 1.00 0.00 C ATOM 0 H LEU A 44 -5.464 2.430 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.989 4.822 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.106 2.925 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.489 4.488 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.422 2.230 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.763 2.279 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.066 1.946 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.542 3.567 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.164 3.682 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.993 5.020 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.482 4.372 -3.004 1.00 0.00 H new ATOM 623 N ARG A 45 -5.253 6.483 -4.593 1.00 0.00 N ATOM 624 CA ARG A 45 -4.253 7.517 -4.807 1.00 0.00 C ATOM 625 C ARG A 45 -3.785 8.044 -3.462 1.00 0.00 C ATOM 626 O ARG A 45 -4.415 8.923 -2.872 1.00 0.00 O ATOM 627 CB ARG A 45 -4.817 8.654 -5.661 1.00 0.00 C ATOM 628 CG ARG A 45 -3.756 9.422 -6.435 1.00 0.00 C ATOM 629 CD ARG A 45 -3.392 10.735 -5.750 1.00 0.00 C ATOM 630 NE ARG A 45 -4.557 11.389 -5.153 1.00 0.00 N ATOM 631 CZ ARG A 45 -4.497 12.257 -4.146 1.00 0.00 C ATOM 632 NH1 ARG A 45 -3.330 12.626 -3.635 1.00 0.00 N ATOM 633 NH2 ARG A 45 -5.616 12.768 -3.653 1.00 0.00 N ATOM 0 H ARG A 45 -6.216 6.787 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.407 7.088 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.541 8.243 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.357 9.347 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.863 8.805 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.118 9.626 -7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.648 10.545 -4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.933 11.406 -6.476 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.476 11.165 -5.534 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.464 12.244 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.299 13.292 -2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.517 12.496 -4.045 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.576 13.434 -2.881 1.00 0.00 H new ATOM 647 N ILE A 46 -2.758 7.408 -2.929 1.00 0.00 N ATOM 648 CA ILE A 46 -2.292 7.714 -1.592 1.00 0.00 C ATOM 649 C ILE A 46 -1.035 8.576 -1.634 1.00 0.00 C ATOM 650 O ILE A 46 -0.106 8.319 -2.403 1.00 0.00 O ATOM 651 CB ILE A 46 -2.017 6.425 -0.780 1.00 0.00 C ATOM 652 CG1 ILE A 46 -0.981 5.543 -1.480 1.00 0.00 C ATOM 653 CG2 ILE A 46 -3.307 5.649 -0.573 1.00 0.00 C ATOM 654 CD1 ILE A 46 0.194 5.183 -0.598 1.00 0.00 C ATOM 0 H ILE A 46 -2.231 6.675 -3.404 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.086 8.272 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.616 6.717 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.465 4.627 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.615 6.059 -2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.100 4.745 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.020 6.268 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.727 5.377 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.890 4.557 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.701 6.093 -0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.161 4.639 0.277 1.00 0.00 H new ATOM 666 N LYS A 47 -1.006 9.578 -0.777 1.00 0.00 N ATOM 667 CA LYS A 47 0.140 10.458 -0.668 1.00 0.00 C ATOM 668 C LYS A 47 0.778 10.286 0.702 1.00 0.00 C ATOM 669 O LYS A 47 0.243 10.750 1.714 1.00 0.00 O ATOM 670 CB LYS A 47 -0.283 11.908 -0.884 1.00 0.00 C ATOM 671 CG LYS A 47 0.406 12.573 -2.063 1.00 0.00 C ATOM 672 CD LYS A 47 1.519 13.498 -1.606 1.00 0.00 C ATOM 673 CE LYS A 47 2.207 14.168 -2.783 1.00 0.00 C ATOM 674 NZ LYS A 47 2.227 15.645 -2.640 1.00 0.00 N ATOM 0 H LYS A 47 -1.771 9.804 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 47 0.869 10.200 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.362 11.944 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.070 12.479 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.815 11.810 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.325 13.139 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.111 14.259 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.251 12.931 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.228 13.797 -2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.693 13.899 -3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.704 16.067 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.252 16.002 -2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.739 15.903 -1.772 1.00 0.00 H new ATOM 688 N LEU A 48 1.854 9.519 0.744 1.00 0.00 N ATOM 689 CA LEU A 48 2.492 9.175 1.998 1.00 0.00 C ATOM 690 C LEU A 48 3.495 10.241 2.416 1.00 0.00 C ATOM 691 O LEU A 48 4.416 10.576 1.668 1.00 0.00 O ATOM 692 CB LEU A 48 3.187 7.818 1.881 1.00 0.00 C ATOM 693 CG LEU A 48 2.933 6.866 3.044 1.00 0.00 C ATOM 694 CD1 LEU A 48 1.537 6.272 2.950 1.00 0.00 C ATOM 695 CD2 LEU A 48 3.988 5.769 3.073 1.00 0.00 C ATOM 0 H LEU A 48 2.304 9.122 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 48 1.719 9.117 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.861 7.337 0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.261 7.982 1.792 1.00 0.00 H new ATOM 0 HG LEU A 48 3.001 7.429 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.373 5.595 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.798 7.073 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.438 5.722 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.792 5.098 3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.953 5.206 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.975 6.216 3.190 1.00 0.00 H new ATOM 707 N ALA A 49 3.333 10.731 3.634 1.00 0.00 N ATOM 708 CA ALA A 49 4.239 11.717 4.203 1.00 0.00 C ATOM 709 C ALA A 49 5.538 11.044 4.656 1.00 0.00 C ATOM 710 O ALA A 49 5.631 9.816 4.650 1.00 0.00 O ATOM 711 CB ALA A 49 3.545 12.418 5.362 1.00 0.00 C ATOM 0 H ALA A 49 2.572 10.458 4.256 1.00 0.00 H new ATOM 0 HA ALA A 49 4.500 12.460 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.217 13.159 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.644 12.913 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.276 11.685 6.122 1.00 0.00 H new ATOM 717 N PRO A 50 6.587 11.830 4.974 1.00 0.00 N ATOM 718 CA PRO A 50 7.909 11.298 5.344 1.00 0.00 C ATOM 719 C PRO A 50 7.861 10.262 6.469 1.00 0.00 C ATOM 720 O PRO A 50 8.621 9.294 6.455 1.00 0.00 O ATOM 721 CB PRO A 50 8.696 12.537 5.800 1.00 0.00 C ATOM 722 CG PRO A 50 7.704 13.650 5.875 1.00 0.00 C ATOM 723 CD PRO A 50 6.607 13.297 4.916 1.00 0.00 C ATOM 0 HA PRO A 50 8.358 10.770 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.165 12.366 6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.494 12.773 5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.316 13.758 6.888 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.165 14.601 5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.652 13.727 5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.817 13.660 3.910 1.00 0.00 H new ATOM 731 N ASP A 51 6.989 10.477 7.450 1.00 0.00 N ATOM 732 CA ASP A 51 6.885 9.568 8.594 1.00 0.00 C ATOM 733 C ASP A 51 6.193 8.261 8.207 1.00 0.00 C ATOM 734 O ASP A 51 6.212 7.289 8.959 1.00 0.00 O ATOM 735 CB ASP A 51 6.124 10.237 9.744 1.00 0.00 C ATOM 736 CG ASP A 51 6.126 9.402 11.012 1.00 0.00 C ATOM 737 OD1 ASP A 51 7.218 9.121 11.547 1.00 0.00 O ATOM 738 OD2 ASP A 51 5.033 9.028 11.485 1.00 0.00 O ATOM 0 H ASP A 51 6.346 11.268 7.479 1.00 0.00 H new ATOM 0 HA ASP A 51 7.898 9.335 8.921 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.571 11.209 9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.095 10.419 9.436 1.00 0.00 H new ATOM 743 N GLY A 52 5.613 8.229 7.018 1.00 0.00 N ATOM 744 CA GLY A 52 4.960 7.020 6.549 1.00 0.00 C ATOM 745 C GLY A 52 3.465 7.058 6.776 1.00 0.00 C ATOM 746 O GLY A 52 2.775 6.050 6.625 1.00 0.00 O ATOM 0 H GLY A 52 5.581 9.015 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.162 6.888 5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.383 6.157 7.063 1.00 0.00 H new ATOM 750 N MET A 53 2.959 8.230 7.125 1.00 0.00 N ATOM 751 CA MET A 53 1.532 8.400 7.350 1.00 0.00 C ATOM 752 C MET A 53 0.873 9.006 6.117 1.00 0.00 C ATOM 753 O MET A 53 1.491 9.793 5.399 1.00 0.00 O ATOM 754 CB MET A 53 1.279 9.277 8.583 1.00 0.00 C ATOM 755 CG MET A 53 1.632 10.744 8.389 1.00 0.00 C ATOM 756 SD MET A 53 0.550 11.841 9.326 1.00 0.00 S ATOM 757 CE MET A 53 -0.534 12.436 8.031 1.00 0.00 C ATOM 0 H MET A 53 3.513 9.076 7.258 1.00 0.00 H new ATOM 0 HA MET A 53 1.091 7.420 7.534 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.227 9.202 8.859 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.857 8.884 9.419 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.665 10.910 8.694 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.568 10.993 7.330 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.118 13.278 8.403 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.062 12.757 7.177 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.207 11.636 7.724 1.00 0.00 H new ATOM 767 N LEU A 54 -0.367 8.624 5.861 1.00 0.00 N ATOM 768 CA LEU A 54 -1.085 9.125 4.698 1.00 0.00 C ATOM 769 C LEU A 54 -1.583 10.540 4.954 1.00 0.00 C ATOM 770 O LEU A 54 -2.512 10.749 5.733 1.00 0.00 O ATOM 771 CB LEU A 54 -2.268 8.217 4.347 1.00 0.00 C ATOM 772 CG LEU A 54 -2.331 6.897 5.117 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.568 6.850 5.996 1.00 0.00 C ATOM 774 CD2 LEU A 54 -2.314 5.720 4.156 1.00 0.00 C ATOM 0 H LEU A 54 -0.897 7.972 6.439 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.393 9.133 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.192 8.767 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.230 7.995 3.281 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.452 6.831 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.595 5.903 6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.539 7.674 6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.459 6.939 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.359 4.789 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.174 5.782 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.396 5.744 3.568 1.00 0.00 H new ATOM 786 N LEU A 55 -0.981 11.506 4.276 1.00 0.00 N ATOM 787 CA LEU A 55 -1.396 12.896 4.412 1.00 0.00 C ATOM 788 C LEU A 55 -2.565 13.181 3.480 1.00 0.00 C ATOM 789 O LEU A 55 -3.342 14.114 3.692 1.00 0.00 O ATOM 790 CB LEU A 55 -0.227 13.847 4.118 1.00 0.00 C ATOM 791 CG LEU A 55 0.081 14.080 2.632 1.00 0.00 C ATOM 792 CD1 LEU A 55 -0.312 15.491 2.219 1.00 0.00 C ATOM 793 CD2 LEU A 55 1.556 13.836 2.349 1.00 0.00 C ATOM 0 H LEU A 55 -0.207 11.355 3.629 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.715 13.065 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.440 14.810 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.668 13.453 4.599 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.506 13.373 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.086 15.637 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.380 15.635 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.248 16.213 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.756 14.006 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.159 14.519 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.811 12.808 2.606 1.00 0.00 H new ATOM 805 N ASP A 56 -2.692 12.344 2.465 1.00 0.00 N ATOM 806 CA ASP A 56 -3.770 12.449 1.498 1.00 0.00 C ATOM 807 C ASP A 56 -4.111 11.062 0.981 1.00 0.00 C ATOM 808 O ASP A 56 -3.218 10.253 0.719 1.00 0.00 O ATOM 809 CB ASP A 56 -3.353 13.365 0.345 1.00 0.00 C ATOM 810 CG ASP A 56 -4.500 13.756 -0.565 1.00 0.00 C ATOM 811 OD1 ASP A 56 -5.667 13.479 -0.226 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.232 14.349 -1.636 1.00 0.00 O ATOM 0 H ASP A 56 -2.050 11.572 2.288 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.651 12.880 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.901 14.268 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.586 12.865 -0.246 1.00 0.00 H new ATOM 817 N ILE A 57 -5.394 10.767 0.894 1.00 0.00 N ATOM 818 CA ILE A 57 -5.845 9.454 0.471 1.00 0.00 C ATOM 819 C ILE A 57 -7.235 9.545 -0.152 1.00 0.00 C ATOM 820 O ILE A 57 -8.209 9.906 0.510 1.00 0.00 O ATOM 821 CB ILE A 57 -5.846 8.441 1.649 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.565 7.147 1.253 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.477 9.049 2.897 1.00 0.00 C ATOM 824 CD1 ILE A 57 -6.126 5.940 2.054 1.00 0.00 C ATOM 0 H ILE A 57 -6.145 11.422 1.111 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.143 9.089 -0.279 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.809 8.199 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.639 7.285 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.390 6.953 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.464 8.317 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.912 9.931 3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.507 9.334 2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.677 5.061 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.058 5.776 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.326 6.113 3.111 1.00 0.00 H new ATOM 836 N LYS A 58 -7.305 9.277 -1.444 1.00 0.00 N ATOM 837 CA LYS A 58 -8.552 9.387 -2.178 1.00 0.00 C ATOM 838 C LYS A 58 -8.552 8.422 -3.357 1.00 0.00 C ATOM 839 O LYS A 58 -7.569 8.338 -4.095 1.00 0.00 O ATOM 840 CB LYS A 58 -8.745 10.825 -2.664 1.00 0.00 C ATOM 841 CG LYS A 58 -10.175 11.157 -3.045 1.00 0.00 C ATOM 842 CD LYS A 58 -10.254 12.447 -3.840 1.00 0.00 C ATOM 843 CE LYS A 58 -11.241 12.335 -4.991 1.00 0.00 C ATOM 844 NZ LYS A 58 -12.650 12.465 -4.532 1.00 0.00 N ATOM 0 H LYS A 58 -6.509 8.980 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.379 9.127 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.419 11.510 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.100 10.997 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.595 10.340 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.781 11.246 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.553 13.263 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.267 12.696 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.027 13.109 -5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.109 11.375 -5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.290 12.383 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.863 11.712 -3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.784 13.392 -4.079 1.00 0.00 H new ATOM 858 N PRO A 59 -9.645 7.658 -3.537 1.00 0.00 N ATOM 859 CA PRO A 59 -9.757 6.677 -4.623 1.00 0.00 C ATOM 860 C PRO A 59 -9.524 7.305 -5.994 1.00 0.00 C ATOM 861 O PRO A 59 -10.182 8.281 -6.361 1.00 0.00 O ATOM 862 CB PRO A 59 -11.197 6.176 -4.507 1.00 0.00 C ATOM 863 CG PRO A 59 -11.565 6.414 -3.084 1.00 0.00 C ATOM 864 CD PRO A 59 -10.847 7.673 -2.683 1.00 0.00 C ATOM 0 HA PRO A 59 -9.010 5.888 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.860 6.716 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.271 5.119 -4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.643 6.526 -2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.265 5.575 -2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.457 8.559 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.589 7.670 -1.624 1.00 0.00 H new ATOM 872 N GLU A 60 -8.588 6.742 -6.741 1.00 0.00 N ATOM 873 CA GLU A 60 -8.268 7.239 -8.071 1.00 0.00 C ATOM 874 C GLU A 60 -9.327 6.783 -9.065 1.00 0.00 C ATOM 875 O GLU A 60 -9.941 7.596 -9.760 1.00 0.00 O ATOM 876 CB GLU A 60 -6.884 6.742 -8.500 1.00 0.00 C ATOM 877 CG GLU A 60 -6.417 7.299 -9.834 1.00 0.00 C ATOM 878 CD GLU A 60 -5.778 8.667 -9.710 1.00 0.00 C ATOM 879 OE1 GLU A 60 -6.466 9.610 -9.265 1.00 0.00 O ATOM 880 OE2 GLU A 60 -4.590 8.809 -10.069 1.00 0.00 O ATOM 0 H GLU A 60 -8.034 5.937 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.254 8.329 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.158 7.009 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.901 5.654 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.701 6.608 -10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.267 7.361 -10.514 1.00 0.00 H new ATOM 887 N GLY A 61 -9.566 5.479 -9.095 1.00 0.00 N ATOM 888 CA GLY A 61 -10.581 4.929 -9.967 1.00 0.00 C ATOM 889 C GLY A 61 -10.779 3.448 -9.743 1.00 0.00 C ATOM 890 O GLY A 61 -9.851 2.749 -9.330 1.00 0.00 O ATOM 0 H GLY A 61 -9.072 4.791 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.524 5.450 -9.800 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.300 5.104 -11.006 1.00 0.00 H new ATOM 894 N GLY A 62 -11.982 2.966 -10.011 1.00 0.00 N ATOM 895 CA GLY A 62 -12.273 1.561 -9.832 1.00 0.00 C ATOM 896 C GLY A 62 -13.719 1.303 -9.473 1.00 0.00 C ATOM 897 O GLY A 62 -14.592 1.302 -10.344 1.00 0.00 O ATOM 0 H GLY A 62 -12.764 3.525 -10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.030 1.025 -10.749 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.631 1.159 -9.048 1.00 0.00 H new ATOM 901 N ASP A 63 -13.969 1.056 -8.194 1.00 0.00 N ATOM 902 CA ASP A 63 -15.311 0.752 -7.711 1.00 0.00 C ATOM 903 C ASP A 63 -15.551 1.410 -6.355 1.00 0.00 C ATOM 904 O ASP A 63 -14.716 1.304 -5.454 1.00 0.00 O ATOM 905 CB ASP A 63 -15.495 -0.765 -7.600 1.00 0.00 C ATOM 906 CG ASP A 63 -16.915 -1.170 -7.251 1.00 0.00 C ATOM 907 OD1 ASP A 63 -17.306 -1.052 -6.072 1.00 0.00 O ATOM 908 OD2 ASP A 63 -17.646 -1.624 -8.155 1.00 0.00 O ATOM 0 H ASP A 63 -13.254 1.060 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 63 -16.037 1.148 -8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.213 -1.229 -8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.816 -1.152 -6.840 1.00 0.00 H new ATOM 913 N PRO A 64 -16.669 2.138 -6.211 1.00 0.00 N ATOM 914 CA PRO A 64 -17.004 2.868 -4.983 1.00 0.00 C ATOM 915 C PRO A 64 -17.044 1.978 -3.737 1.00 0.00 C ATOM 916 O PRO A 64 -16.594 2.385 -2.666 1.00 0.00 O ATOM 917 CB PRO A 64 -18.398 3.452 -5.265 1.00 0.00 C ATOM 918 CG PRO A 64 -18.895 2.740 -6.479 1.00 0.00 C ATOM 919 CD PRO A 64 -17.678 2.351 -7.259 1.00 0.00 C ATOM 0 HA PRO A 64 -16.246 3.619 -4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -19.067 3.296 -4.418 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.345 4.527 -5.436 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.479 1.862 -6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.547 3.384 -7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.846 1.449 -7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.378 3.134 -7.956 1.00 0.00 H new ATOM 927 N ALA A 65 -17.595 0.777 -3.871 1.00 0.00 N ATOM 928 CA ALA A 65 -17.703 -0.142 -2.742 1.00 0.00 C ATOM 929 C ALA A 65 -16.349 -0.748 -2.401 1.00 0.00 C ATOM 930 O ALA A 65 -16.010 -0.922 -1.229 1.00 0.00 O ATOM 931 CB ALA A 65 -18.715 -1.237 -3.039 1.00 0.00 C ATOM 0 H ALA A 65 -17.973 0.417 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.049 0.425 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.782 -1.912 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.691 -0.789 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.399 -1.796 -3.920 1.00 0.00 H new ATOM 937 N LEU A 66 -15.571 -1.049 -3.430 1.00 0.00 N ATOM 938 CA LEU A 66 -14.244 -1.614 -3.240 1.00 0.00 C ATOM 939 C LEU A 66 -13.322 -0.601 -2.577 1.00 0.00 C ATOM 940 O LEU A 66 -12.634 -0.912 -1.607 1.00 0.00 O ATOM 941 CB LEU A 66 -13.649 -2.052 -4.580 1.00 0.00 C ATOM 942 CG LEU A 66 -13.067 -3.469 -4.607 1.00 0.00 C ATOM 943 CD1 LEU A 66 -11.762 -3.538 -3.828 1.00 0.00 C ATOM 944 CD2 LEU A 66 -14.071 -4.460 -4.048 1.00 0.00 C ATOM 0 H LEU A 66 -15.836 -0.911 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.338 -2.486 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.424 -1.981 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.863 -1.349 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.855 -3.730 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.371 -4.555 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.037 -2.855 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.942 -3.254 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.645 -5.463 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.311 -4.193 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.979 -4.437 -4.650 1.00 0.00 H new ATOM 956 N CYS A 67 -13.289 0.601 -3.128 1.00 0.00 N ATOM 957 CA CYS A 67 -12.417 1.645 -2.617 1.00 0.00 C ATOM 958 C CYS A 67 -12.878 2.139 -1.246 1.00 0.00 C ATOM 959 O CYS A 67 -12.070 2.633 -0.464 1.00 0.00 O ATOM 960 CB CYS A 67 -12.339 2.802 -3.612 1.00 0.00 C ATOM 961 SG CYS A 67 -10.889 2.726 -4.720 1.00 0.00 S ATOM 0 H CYS A 67 -13.856 0.878 -3.929 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.421 1.221 -2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.246 2.811 -4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.314 3.742 -3.061 1.00 0.00 H new ATOM 966 N GLN A 68 -14.152 1.933 -0.923 1.00 0.00 N ATOM 967 CA GLN A 68 -14.666 2.294 0.396 1.00 0.00 C ATOM 968 C GLN A 68 -14.049 1.396 1.461 1.00 0.00 C ATOM 969 O GLN A 68 -13.491 1.877 2.447 1.00 0.00 O ATOM 970 CB GLN A 68 -16.195 2.180 0.434 1.00 0.00 C ATOM 971 CG GLN A 68 -16.766 2.033 1.838 1.00 0.00 C ATOM 972 CD GLN A 68 -18.165 2.598 1.966 1.00 0.00 C ATOM 973 OE1 GLN A 68 -18.348 3.760 2.327 1.00 0.00 O ATOM 974 NE2 GLN A 68 -19.161 1.775 1.678 1.00 0.00 N ATOM 0 H GLN A 68 -14.843 1.521 -1.550 1.00 0.00 H new ATOM 0 HA GLN A 68 -14.393 3.329 0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.628 3.065 -0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.501 1.322 -0.164 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.779 0.978 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.109 2.538 2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.963 0.819 1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.126 2.097 1.752 1.00 0.00 H new ATOM 983 N ALA A 69 -14.108 0.087 1.228 1.00 0.00 N ATOM 984 CA ALA A 69 -13.508 -0.877 2.140 1.00 0.00 C ATOM 985 C ALA A 69 -11.999 -0.696 2.184 1.00 0.00 C ATOM 986 O ALA A 69 -11.369 -0.892 3.222 1.00 0.00 O ATOM 987 CB ALA A 69 -13.861 -2.295 1.727 1.00 0.00 C ATOM 0 H ALA A 69 -14.565 -0.328 0.416 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.908 -0.701 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.403 -3.001 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.944 -2.420 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.490 -2.484 0.720 1.00 0.00 H new ATOM 993 N ALA A 70 -11.444 -0.268 1.057 1.00 0.00 N ATOM 994 CA ALA A 70 -10.019 0.013 0.953 1.00 0.00 C ATOM 995 C ALA A 70 -9.575 1.036 1.993 1.00 0.00 C ATOM 996 O ALA A 70 -8.556 0.849 2.659 1.00 0.00 O ATOM 997 CB ALA A 70 -9.689 0.510 -0.442 1.00 0.00 C ATOM 0 H ALA A 70 -11.965 -0.107 0.195 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.478 -0.914 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.621 0.718 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.958 -0.252 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.250 1.422 -0.645 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.341 2.114 2.126 1.00 0.00 N ATOM 1004 CA LEU A 71 -10.023 3.171 3.082 1.00 0.00 C ATOM 1005 C LEU A 71 -10.056 2.639 4.513 1.00 0.00 C ATOM 1006 O LEU A 71 -9.202 2.978 5.331 1.00 0.00 O ATOM 1007 CB LEU A 71 -11.010 4.336 2.946 1.00 0.00 C ATOM 1008 CG LEU A 71 -11.383 4.720 1.513 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -12.677 5.519 1.484 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -10.261 5.509 0.863 1.00 0.00 C ATOM 0 H LEU A 71 -11.188 2.280 1.583 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.017 3.527 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.923 4.081 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.583 5.210 3.438 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.536 3.801 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.921 5.780 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.484 4.920 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.555 6.430 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.545 5.773 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.076 6.418 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.355 4.903 0.842 1.00 0.00 H new ATOM 1022 N ALA A 72 -11.048 1.807 4.803 1.00 0.00 N ATOM 1023 CA ALA A 72 -11.204 1.228 6.133 1.00 0.00 C ATOM 1024 C ALA A 72 -10.062 0.268 6.449 1.00 0.00 C ATOM 1025 O ALA A 72 -9.500 0.293 7.543 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.544 0.515 6.244 1.00 0.00 C ATOM 0 H ALA A 72 -11.760 1.517 4.133 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.176 2.038 6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.647 0.088 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.351 1.227 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.595 -0.281 5.501 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.730 -0.577 5.486 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.665 -1.554 5.655 1.00 0.00 C ATOM 1034 C ALA A 73 -7.312 -0.869 5.826 1.00 0.00 C ATOM 1035 O ALA A 73 -6.521 -1.245 6.690 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.633 -2.500 4.467 1.00 0.00 C ATOM 0 H ALA A 73 -10.186 -0.606 4.574 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.867 -2.127 6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.833 -3.227 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.588 -3.021 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.456 -1.932 3.554 1.00 0.00 H new ATOM 1042 N ALA A 74 -7.065 0.155 5.016 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.820 0.909 5.093 1.00 0.00 C ATOM 1044 C ALA A 74 -5.720 1.664 6.416 1.00 0.00 C ATOM 1045 O ALA A 74 -4.629 1.957 6.898 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.714 1.870 3.918 1.00 0.00 C ATOM 0 H ALA A 74 -7.712 0.482 4.298 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.989 0.205 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.780 2.427 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.733 1.307 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.553 2.565 3.939 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.872 1.946 7.010 1.00 0.00 N ATOM 1053 CA LYS A 75 -6.932 2.632 8.294 1.00 0.00 C ATOM 1054 C LYS A 75 -6.631 1.664 9.433 1.00 0.00 C ATOM 1055 O LYS A 75 -6.158 2.065 10.497 1.00 0.00 O ATOM 1056 CB LYS A 75 -8.316 3.248 8.499 1.00 0.00 C ATOM 1057 CG LYS A 75 -8.396 4.723 8.139 1.00 0.00 C ATOM 1058 CD LYS A 75 -9.076 5.526 9.235 1.00 0.00 C ATOM 1059 CE LYS A 75 -10.562 5.210 9.328 1.00 0.00 C ATOM 1060 NZ LYS A 75 -10.869 4.329 10.488 1.00 0.00 N ATOM 0 H LYS A 75 -7.784 1.708 6.620 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.182 3.423 8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.040 2.698 7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.607 3.123 9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.392 5.113 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.945 4.842 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.598 5.313 10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.942 6.590 9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.126 6.138 9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.889 4.726 8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.882 4.393 10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.629 3.345 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.311 4.632 11.311 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.947 0.396 9.212 1.00 0.00 N ATOM 1075 CA LEU A 76 -6.755 -0.633 10.224 1.00 0.00 C ATOM 1076 C LEU A 76 -5.343 -1.207 10.155 1.00 0.00 C ATOM 1077 O LEU A 76 -4.851 -1.799 11.119 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.783 -1.751 10.041 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.774 -1.913 11.194 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -9.884 -0.880 11.092 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -9.349 -3.320 11.208 1.00 0.00 C ATOM 0 H LEU A 76 -7.340 0.054 8.335 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.894 -0.177 11.204 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.343 -1.563 9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.252 -2.693 9.903 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.242 -1.751 12.132 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.580 -1.011 11.921 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.454 0.121 11.133 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.415 -1.008 10.149 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.052 -3.417 12.035 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.866 -3.511 10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.542 -4.042 11.331 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.697 -1.026 9.014 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.344 -1.517 8.813 1.00 0.00 C ATOM 1095 C ALA A 77 -2.329 -0.442 9.169 1.00 0.00 C ATOM 1096 O ALA A 77 -2.606 0.753 9.041 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.156 -1.965 7.372 1.00 0.00 C ATOM 0 H ALA A 77 -5.091 -0.540 8.209 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.184 -2.373 9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.138 -2.331 7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.862 -2.763 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.332 -1.123 6.703 1.00 0.00 H new ATOM 1103 N LYS A 78 -1.162 -0.855 9.629 1.00 0.00 N ATOM 1104 CA LYS A 78 -0.129 0.093 10.008 1.00 0.00 C ATOM 1105 C LYS A 78 0.988 0.131 8.969 1.00 0.00 C ATOM 1106 O LYS A 78 1.460 -0.905 8.494 1.00 0.00 O ATOM 1107 CB LYS A 78 0.429 -0.232 11.400 1.00 0.00 C ATOM 1108 CG LYS A 78 1.261 -1.503 11.464 1.00 0.00 C ATOM 1109 CD LYS A 78 2.180 -1.500 12.674 1.00 0.00 C ATOM 1110 CE LYS A 78 3.275 -2.542 12.540 1.00 0.00 C ATOM 1111 NZ LYS A 78 4.569 -1.946 12.123 1.00 0.00 N ATOM 0 H LYS A 78 -0.906 -1.835 9.749 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.582 1.083 10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.041 0.605 11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.402 -0.321 12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.602 -2.370 11.507 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.854 -1.598 10.554 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.627 -0.513 12.791 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.598 -1.695 13.575 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.404 -3.056 13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.972 -3.294 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.287 -2.695 12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.455 -1.478 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.874 -1.247 12.831 1.00 0.00 H new ATOM 1125 N ILE A 79 1.409 1.336 8.628 1.00 0.00 N ATOM 1126 CA ILE A 79 2.474 1.539 7.661 1.00 0.00 C ATOM 1127 C ILE A 79 3.715 2.063 8.380 1.00 0.00 C ATOM 1128 O ILE A 79 3.616 2.977 9.200 1.00 0.00 O ATOM 1129 CB ILE A 79 2.038 2.536 6.556 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.789 2.021 5.835 1.00 0.00 C ATOM 1131 CG2 ILE A 79 3.160 2.773 5.554 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -0.483 2.738 6.235 1.00 0.00 C ATOM 0 H ILE A 79 1.024 2.199 9.012 1.00 0.00 H new ATOM 0 HA ILE A 79 2.701 0.586 7.183 1.00 0.00 H new ATOM 0 HB ILE A 79 1.805 3.486 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.932 2.126 4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.675 0.956 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.824 3.476 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.028 3.184 6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.432 1.829 5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.325 2.320 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.651 2.612 7.305 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.390 3.799 6.005 1.00 0.00 H new ATOM 1144 N PRO A 80 4.889 1.463 8.137 1.00 0.00 N ATOM 1145 CA PRO A 80 6.114 1.855 8.817 1.00 0.00 C ATOM 1146 C PRO A 80 6.799 3.034 8.136 1.00 0.00 C ATOM 1147 O PRO A 80 6.506 3.354 6.981 1.00 0.00 O ATOM 1148 CB PRO A 80 6.976 0.597 8.733 1.00 0.00 C ATOM 1149 CG PRO A 80 6.526 -0.111 7.499 1.00 0.00 C ATOM 1150 CD PRO A 80 5.107 0.327 7.223 1.00 0.00 C ATOM 0 HA PRO A 80 5.933 2.192 9.838 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.035 0.850 8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.844 -0.029 9.615 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.174 0.133 6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.575 -1.191 7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.978 0.624 6.182 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.398 -0.479 7.414 1.00 0.00 H new ATOM 1158 N LYS A 81 7.725 3.655 8.847 1.00 0.00 N ATOM 1159 CA LYS A 81 8.479 4.772 8.309 1.00 0.00 C ATOM 1160 C LYS A 81 9.448 4.279 7.244 1.00 0.00 C ATOM 1161 O LYS A 81 10.206 3.337 7.483 1.00 0.00 O ATOM 1162 CB LYS A 81 9.248 5.475 9.427 1.00 0.00 C ATOM 1163 CG LYS A 81 9.688 6.885 9.072 1.00 0.00 C ATOM 1164 CD LYS A 81 10.821 7.358 9.965 1.00 0.00 C ATOM 1165 CE LYS A 81 10.362 7.521 11.403 1.00 0.00 C ATOM 1166 NZ LYS A 81 9.829 8.883 11.668 1.00 0.00 N ATOM 0 H LYS A 81 7.973 3.402 9.803 1.00 0.00 H new ATOM 0 HA LYS A 81 7.785 5.481 7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.622 5.513 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.127 4.882 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.008 6.916 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.842 7.565 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.643 6.643 9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.206 8.308 9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.592 6.782 11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.197 7.322 12.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.892 9.089 12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.386 9.583 11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.835 8.932 11.366 1.00 0.00 H new ATOM 1180 N PRO A 82 9.402 4.879 6.044 1.00 0.00 N ATOM 1181 CA PRO A 82 10.250 4.476 4.918 1.00 0.00 C ATOM 1182 C PRO A 82 11.732 4.484 5.285 1.00 0.00 C ATOM 1183 O PRO A 82 12.267 5.503 5.731 1.00 0.00 O ATOM 1184 CB PRO A 82 9.950 5.530 3.850 1.00 0.00 C ATOM 1185 CG PRO A 82 8.588 6.028 4.181 1.00 0.00 C ATOM 1186 CD PRO A 82 8.485 5.974 5.681 1.00 0.00 C ATOM 0 HA PRO A 82 10.044 3.457 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.683 6.337 3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.982 5.099 2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.444 7.045 3.816 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.821 5.410 3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.783 6.917 6.139 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.465 5.770 6.007 1.00 0.00 H new ATOM 1194 N PRO A 83 12.378 3.308 5.223 1.00 0.00 N ATOM 1195 CA PRO A 83 13.763 3.144 5.673 1.00 0.00 C ATOM 1196 C PRO A 83 14.769 3.837 4.758 1.00 0.00 C ATOM 1197 O PRO A 83 15.494 4.733 5.189 1.00 0.00 O ATOM 1198 CB PRO A 83 13.973 1.625 5.667 1.00 0.00 C ATOM 1199 CG PRO A 83 12.928 1.080 4.757 1.00 0.00 C ATOM 1200 CD PRO A 83 11.763 2.029 4.829 1.00 0.00 C ATOM 0 HA PRO A 83 13.923 3.600 6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.972 1.369 5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.873 1.212 6.671 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.304 1.003 3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.631 0.077 5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.252 2.109 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.023 1.699 5.558 1.00 0.00 H new ATOM 1208 N SER A 84 14.828 3.405 3.508 1.00 0.00 N ATOM 1209 CA SER A 84 15.762 3.962 2.547 1.00 0.00 C ATOM 1210 C SER A 84 15.188 5.220 1.902 1.00 0.00 C ATOM 1211 O SER A 84 13.998 5.271 1.585 1.00 0.00 O ATOM 1212 CB SER A 84 16.072 2.914 1.484 1.00 0.00 C ATOM 1213 OG SER A 84 15.105 1.877 1.516 1.00 0.00 O ATOM 0 H SER A 84 14.234 2.664 3.135 1.00 0.00 H new ATOM 0 HA SER A 84 16.681 4.240 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.084 3.379 0.498 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.066 2.499 1.652 1.00 0.00 H new ATOM 0 HG SER A 84 15.315 1.212 0.827 1.00 0.00 H new ATOM 1219 N GLN A 85 16.030 6.234 1.726 1.00 0.00 N ATOM 1220 CA GLN A 85 15.598 7.505 1.141 1.00 0.00 C ATOM 1221 C GLN A 85 15.074 7.305 -0.279 1.00 0.00 C ATOM 1222 O GLN A 85 14.159 8.002 -0.717 1.00 0.00 O ATOM 1223 CB GLN A 85 16.738 8.535 1.139 1.00 0.00 C ATOM 1224 CG GLN A 85 18.093 7.975 1.548 1.00 0.00 C ATOM 1225 CD GLN A 85 18.941 7.586 0.354 1.00 0.00 C ATOM 1226 OE1 GLN A 85 19.121 8.370 -0.575 1.00 0.00 O ATOM 1227 NE2 GLN A 85 19.469 6.373 0.372 1.00 0.00 N ATOM 0 H GLN A 85 17.017 6.203 1.980 1.00 0.00 H new ATOM 0 HA GLN A 85 14.788 7.888 1.762 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.822 8.964 0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.476 9.350 1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 85 18.626 8.717 2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.946 7.103 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.295 5.753 1.163 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.050 6.058 -0.405 1.00 0.00 H new ATOM 1236 N ALA A 86 15.623 6.315 -0.971 1.00 0.00 N ATOM 1237 CA ALA A 86 15.177 5.981 -2.316 1.00 0.00 C ATOM 1238 C ALA A 86 13.701 5.591 -2.319 1.00 0.00 C ATOM 1239 O ALA A 86 12.899 6.171 -3.054 1.00 0.00 O ATOM 1240 CB ALA A 86 16.029 4.857 -2.885 1.00 0.00 C ATOM 0 H ALA A 86 16.380 5.728 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 86 15.292 6.862 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.687 4.615 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 86 17.071 5.174 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.940 3.976 -2.250 1.00 0.00 H new ATOM 1246 N VAL A 87 13.341 4.640 -1.461 1.00 0.00 N ATOM 1247 CA VAL A 87 11.954 4.202 -1.335 1.00 0.00 C ATOM 1248 C VAL A 87 11.104 5.302 -0.709 1.00 0.00 C ATOM 1249 O VAL A 87 9.939 5.484 -1.064 1.00 0.00 O ATOM 1250 CB VAL A 87 11.835 2.923 -0.475 1.00 0.00 C ATOM 1251 CG1 VAL A 87 10.422 2.360 -0.531 1.00 0.00 C ATOM 1252 CG2 VAL A 87 12.842 1.873 -0.921 1.00 0.00 C ATOM 0 H VAL A 87 13.992 4.157 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 87 11.594 3.981 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 87 12.056 3.194 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.364 1.461 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.719 3.103 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 87 10.169 2.113 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.738 0.983 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.658 1.612 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.852 2.271 -0.819 1.00 0.00 H new ATOM 1262 N TYR A 88 11.702 6.038 0.218 1.00 0.00 N ATOM 1263 CA TYR A 88 11.029 7.132 0.906 1.00 0.00 C ATOM 1264 C TYR A 88 10.492 8.156 -0.094 1.00 0.00 C ATOM 1265 O TYR A 88 9.354 8.620 0.029 1.00 0.00 O ATOM 1266 CB TYR A 88 12.004 7.782 1.903 1.00 0.00 C ATOM 1267 CG TYR A 88 11.821 9.269 2.115 1.00 0.00 C ATOM 1268 CD1 TYR A 88 10.833 9.755 2.959 1.00 0.00 C ATOM 1269 CD2 TYR A 88 12.648 10.185 1.475 1.00 0.00 C ATOM 1270 CE1 TYR A 88 10.672 11.112 3.160 1.00 0.00 C ATOM 1271 CE2 TYR A 88 12.495 11.542 1.672 1.00 0.00 C ATOM 1272 CZ TYR A 88 11.505 12.000 2.515 1.00 0.00 C ATOM 1273 OH TYR A 88 11.351 13.354 2.714 1.00 0.00 O ATOM 0 H TYR A 88 12.667 5.894 0.514 1.00 0.00 H new ATOM 0 HA TYR A 88 10.174 6.739 1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 88 11.902 7.280 2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.022 7.604 1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.179 9.061 3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 88 13.423 9.829 0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.897 11.475 3.819 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.147 12.241 1.169 1.00 0.00 H new ATOM 0 HH TYR A 88 12.019 13.840 2.187 1.00 0.00 H new ATOM 1283 N GLU A 89 11.309 8.492 -1.086 1.00 0.00 N ATOM 1284 CA GLU A 89 10.924 9.451 -2.115 1.00 0.00 C ATOM 1285 C GLU A 89 9.955 8.827 -3.115 1.00 0.00 C ATOM 1286 O GLU A 89 9.033 9.488 -3.598 1.00 0.00 O ATOM 1287 CB GLU A 89 12.163 9.964 -2.843 1.00 0.00 C ATOM 1288 CG GLU A 89 12.751 11.220 -2.224 1.00 0.00 C ATOM 1289 CD GLU A 89 14.092 11.596 -2.817 1.00 0.00 C ATOM 1290 OE1 GLU A 89 14.531 10.939 -3.784 1.00 0.00 O ATOM 1291 OE2 GLU A 89 14.715 12.558 -2.317 1.00 0.00 O ATOM 0 H GLU A 89 12.248 8.111 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 89 10.420 10.285 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.922 9.181 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.906 10.167 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.054 12.047 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.863 11.072 -1.150 1.00 0.00 H new ATOM 1298 N VAL A 90 10.141 7.546 -3.397 1.00 0.00 N ATOM 1299 CA VAL A 90 9.252 6.836 -4.306 1.00 0.00 C ATOM 1300 C VAL A 90 7.851 6.759 -3.707 1.00 0.00 C ATOM 1301 O VAL A 90 6.853 7.003 -4.388 1.00 0.00 O ATOM 1302 CB VAL A 90 9.775 5.411 -4.613 1.00 0.00 C ATOM 1303 CG1 VAL A 90 8.683 4.538 -5.219 1.00 0.00 C ATOM 1304 CG2 VAL A 90 10.975 5.479 -5.544 1.00 0.00 C ATOM 0 H VAL A 90 10.896 6.979 -3.012 1.00 0.00 H new ATOM 0 HA VAL A 90 9.218 7.390 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 90 10.082 4.956 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.083 3.545 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.851 4.458 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.333 4.986 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.332 4.470 -5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.684 5.960 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.770 6.056 -5.071 1.00 0.00 H new ATOM 1314 N PHE A 91 7.786 6.460 -2.418 1.00 0.00 N ATOM 1315 CA PHE A 91 6.524 6.385 -1.710 1.00 0.00 C ATOM 1316 C PHE A 91 6.069 7.770 -1.249 1.00 0.00 C ATOM 1317 O PHE A 91 5.521 7.929 -0.161 1.00 0.00 O ATOM 1318 CB PHE A 91 6.662 5.443 -0.517 1.00 0.00 C ATOM 1319 CG PHE A 91 5.794 4.223 -0.612 1.00 0.00 C ATOM 1320 CD1 PHE A 91 4.416 4.322 -0.499 1.00 0.00 C ATOM 1321 CD2 PHE A 91 6.358 2.975 -0.814 1.00 0.00 C ATOM 1322 CE1 PHE A 91 3.619 3.197 -0.587 1.00 0.00 C ATOM 1323 CE2 PHE A 91 5.566 1.847 -0.901 1.00 0.00 C ATOM 1324 CZ PHE A 91 4.194 1.958 -0.787 1.00 0.00 C ATOM 0 H PHE A 91 8.603 6.264 -1.840 1.00 0.00 H new ATOM 0 HA PHE A 91 5.766 5.996 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.703 5.132 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.413 5.986 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.961 5.288 -0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.430 2.882 -0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.546 3.287 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.019 0.879 -1.058 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.572 1.077 -0.854 1.00 0.00 H new ATOM 1334 N LYS A 92 6.230 8.758 -2.115 1.00 0.00 N ATOM 1335 CA LYS A 92 5.753 10.104 -1.832 1.00 0.00 C ATOM 1336 C LYS A 92 4.451 10.356 -2.580 1.00 0.00 C ATOM 1337 O LYS A 92 3.624 11.161 -2.161 1.00 0.00 O ATOM 1338 CB LYS A 92 6.800 11.152 -2.220 1.00 0.00 C ATOM 1339 CG LYS A 92 7.122 12.129 -1.099 1.00 0.00 C ATOM 1340 CD LYS A 92 8.166 11.567 -0.148 1.00 0.00 C ATOM 1341 CE LYS A 92 7.587 11.324 1.236 1.00 0.00 C ATOM 1342 NZ LYS A 92 7.058 9.942 1.385 1.00 0.00 N ATOM 0 H LYS A 92 6.688 8.654 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 92 5.575 10.189 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.716 10.645 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.442 11.709 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.483 13.065 -1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.212 12.361 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.558 10.632 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.004 12.260 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.357 11.500 1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.788 12.040 1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.029 9.946 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.506 9.321 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.269 9.591 2.341 1.00 0.00 H new ATOM 1356 N ASN A 93 4.259 9.611 -3.659 1.00 0.00 N ATOM 1357 CA ASN A 93 3.040 9.685 -4.451 1.00 0.00 C ATOM 1358 C ASN A 93 2.895 8.405 -5.260 1.00 0.00 C ATOM 1359 O ASN A 93 2.915 8.417 -6.491 1.00 0.00 O ATOM 1360 CB ASN A 93 3.070 10.906 -5.378 1.00 0.00 C ATOM 1361 CG ASN A 93 1.706 11.231 -5.970 1.00 0.00 C ATOM 1362 OD1 ASN A 93 0.789 11.650 -5.263 1.00 0.00 O ATOM 1363 ND2 ASN A 93 1.565 11.048 -7.274 1.00 0.00 N ATOM 0 H ASN A 93 4.942 8.940 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 93 2.184 9.793 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.435 11.770 -4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.778 10.725 -6.187 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.674 11.256 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.347 10.699 -7.828 1.00 0.00 H new ATOM 1370 N ALA A 94 2.822 7.291 -4.552 1.00 0.00 N ATOM 1371 CA ALA A 94 2.747 5.985 -5.185 1.00 0.00 C ATOM 1372 C ALA A 94 1.467 5.269 -4.784 1.00 0.00 C ATOM 1373 O ALA A 94 1.390 4.664 -3.717 1.00 0.00 O ATOM 1374 CB ALA A 94 3.965 5.148 -4.822 1.00 0.00 C ATOM 0 H ALA A 94 2.813 7.265 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 94 2.735 6.126 -6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.893 4.173 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.869 5.655 -5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.007 5.016 -3.741 1.00 0.00 H new ATOM 1380 N PRO A 95 0.428 5.371 -5.619 1.00 0.00 N ATOM 1381 CA PRO A 95 -0.878 4.775 -5.342 1.00 0.00 C ATOM 1382 C PRO A 95 -0.845 3.259 -5.498 1.00 0.00 C ATOM 1383 O PRO A 95 -0.200 2.735 -6.410 1.00 0.00 O ATOM 1384 CB PRO A 95 -1.796 5.405 -6.405 1.00 0.00 C ATOM 1385 CG PRO A 95 -1.011 6.535 -6.986 1.00 0.00 C ATOM 1386 CD PRO A 95 0.421 6.121 -6.879 1.00 0.00 C ATOM 0 HA PRO A 95 -1.209 4.960 -4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.066 4.679 -7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.726 5.760 -5.961 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.291 6.715 -8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.194 7.461 -6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.732 5.504 -7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.093 6.979 -6.847 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.486 2.560 -4.573 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.473 1.105 -4.577 1.00 0.00 C ATOM 1396 C LEU A 96 -2.702 0.542 -5.278 1.00 0.00 C ATOM 1397 O LEU A 96 -3.787 1.134 -5.230 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.411 0.552 -3.149 1.00 0.00 C ATOM 1399 CG LEU A 96 -0.515 1.316 -2.176 1.00 0.00 C ATOM 1400 CD1 LEU A 96 -1.293 1.690 -0.928 1.00 0.00 C ATOM 1401 CD2 LEU A 96 0.702 0.479 -1.809 1.00 0.00 C ATOM 0 H LEU A 96 -2.021 2.976 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.581 0.795 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.422 0.533 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.067 -0.481 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.174 2.230 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.643 2.234 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.139 2.320 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.657 0.785 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.331 1.036 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.377 -0.449 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.271 0.249 -2.710 1.00 0.00 H new ATOM 1413 N ASP A 97 -2.549 -0.662 -5.812 1.00 0.00 N ATOM 1414 CA ASP A 97 -3.661 -1.398 -6.393 1.00 0.00 C ATOM 1415 C ASP A 97 -4.523 -1.967 -5.275 1.00 0.00 C ATOM 1416 O ASP A 97 -4.005 -2.546 -4.316 1.00 0.00 O ATOM 1417 CB ASP A 97 -3.130 -2.531 -7.282 1.00 0.00 C ATOM 1418 CG ASP A 97 -4.161 -3.607 -7.580 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -4.308 -4.550 -6.769 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -4.804 -3.534 -8.649 1.00 0.00 O ATOM 0 H ASP A 97 -1.656 -1.153 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.263 -0.728 -7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -2.777 -2.108 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -2.269 -2.990 -6.796 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.830 -1.808 -5.384 1.00 0.00 N ATOM 1426 CA PHE A 98 -6.723 -2.321 -4.364 1.00 0.00 C ATOM 1427 C PHE A 98 -7.870 -3.101 -4.979 1.00 0.00 C ATOM 1428 O PHE A 98 -8.844 -2.533 -5.468 1.00 0.00 O ATOM 1429 CB PHE A 98 -7.261 -1.194 -3.488 1.00 0.00 C ATOM 1430 CG PHE A 98 -7.345 -1.581 -2.042 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -8.302 -2.487 -1.609 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -6.465 -1.048 -1.116 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -8.378 -2.853 -0.281 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -6.538 -1.408 0.215 1.00 0.00 C ATOM 1435 CZ PHE A 98 -7.495 -2.312 0.633 1.00 0.00 C ATOM 0 H PHE A 98 -6.291 -1.333 -6.160 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.145 -3.000 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.618 -0.320 -3.590 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.251 -0.904 -3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.996 -2.911 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -5.713 -0.343 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.126 -3.561 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.847 -0.983 0.929 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.553 -2.596 1.674 1.00 0.00 H new ATOM 1445 N LYS A 99 -7.761 -4.409 -4.898 1.00 0.00 N ATOM 1446 CA LYS A 99 -8.788 -5.308 -5.382 1.00 0.00 C ATOM 1447 C LYS A 99 -8.924 -6.454 -4.387 1.00 0.00 C ATOM 1448 O LYS A 99 -8.035 -6.629 -3.556 1.00 0.00 O ATOM 1449 CB LYS A 99 -8.406 -5.835 -6.774 1.00 0.00 C ATOM 1450 CG LYS A 99 -7.044 -6.512 -6.824 1.00 0.00 C ATOM 1451 CD LYS A 99 -6.891 -7.375 -8.069 1.00 0.00 C ATOM 1452 CE LYS A 99 -5.750 -6.888 -8.949 1.00 0.00 C ATOM 1453 NZ LYS A 99 -4.474 -6.772 -8.197 1.00 0.00 N ATOM 0 H LYS A 99 -6.953 -4.882 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.741 -4.787 -5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.165 -6.544 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.415 -5.005 -7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.260 -5.755 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.911 -7.128 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.710 -8.409 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.821 -7.363 -8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.617 -7.577 -9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.009 -5.918 -9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.686 -6.654 -8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.518 -5.948 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.323 -7.633 -7.634 1.00 0.00 H new ATOM 1467 N PRO A 100 -9.990 -7.281 -4.492 1.00 0.00 N ATOM 1468 CA PRO A 100 -10.173 -8.467 -3.640 1.00 0.00 C ATOM 1469 C PRO A 100 -8.873 -9.261 -3.537 1.00 0.00 C ATOM 1470 O PRO A 100 -8.301 -9.668 -4.551 1.00 0.00 O ATOM 1471 CB PRO A 100 -11.282 -9.260 -4.358 1.00 0.00 C ATOM 1472 CG PRO A 100 -11.413 -8.614 -5.697 1.00 0.00 C ATOM 1473 CD PRO A 100 -11.054 -7.180 -5.487 1.00 0.00 C ATOM 0 HA PRO A 100 -10.442 -8.226 -2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.017 -10.313 -4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.220 -9.216 -3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.750 -9.082 -6.425 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.428 -8.712 -6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -10.710 -6.706 -6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.899 -6.596 -5.124 1.00 0.00 H new