USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 581 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 41 GLN :FLIP amide:sc= -1.26 F(o=-6.9!,f=-2.6) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.32 K(o=-2.6,f=-3.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 96:sc= 0.0046 USER MOD Single : A 62 THR OG1 : rot 176:sc= 0.419 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 45:sc= 0.0296 USER MOD Single : A 74 CYS SG : rot 119:sc= 0.783 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0.422 (180deg=0.41) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 75:sc= 0.14 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 199 N LEU A 18 138.101 5.304 2.779 1.00 0.00 N ATOM 200 CA LEU A 18 139.430 4.711 2.683 1.00 0.00 C ATOM 201 C LEU A 18 140.509 5.741 3.000 1.00 0.00 C ATOM 202 O LEU A 18 140.848 6.578 2.164 1.00 0.00 O ATOM 203 CB LEU A 18 139.654 4.136 1.283 1.00 0.00 C ATOM 204 CG LEU A 18 138.875 2.856 0.976 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.211 2.347 -0.417 1.00 0.00 C ATOM 206 CD2 LEU A 18 139.171 1.789 2.022 1.00 0.00 C ATOM 0 HA LEU A 18 139.495 3.906 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 18 139.382 4.894 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.718 3.935 1.155 1.00 0.00 H new ATOM 0 HG LEU A 18 137.810 3.085 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.647 1.436 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 18 138.949 3.105 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.278 2.134 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.609 0.885 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 18 140.237 1.564 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.879 2.154 3.007 1.00 0.00 H new ATOM 218 N GLU A 19 141.047 5.671 4.214 1.00 0.00 N ATOM 219 CA GLU A 19 142.088 6.596 4.642 1.00 0.00 C ATOM 220 C GLU A 19 143.094 5.900 5.555 1.00 0.00 C ATOM 221 O GLU A 19 142.957 4.714 5.854 1.00 0.00 O ATOM 222 CB GLU A 19 141.470 7.794 5.366 1.00 0.00 C ATOM 223 CG GLU A 19 140.642 7.409 6.580 1.00 0.00 C ATOM 224 CD GLU A 19 140.833 8.365 7.743 1.00 0.00 C ATOM 225 OE1 GLU A 19 140.549 9.569 7.573 1.00 0.00 O ATOM 226 OE2 GLU A 19 141.267 7.909 8.821 1.00 0.00 O ATOM 0 H GLU A 19 140.779 4.983 4.918 1.00 0.00 H new ATOM 0 HA GLU A 19 142.613 6.948 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.266 8.469 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.841 8.345 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.588 7.385 6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.912 6.401 6.895 1.00 0.00 H new ATOM 233 N VAL A 20 144.102 6.646 5.995 1.00 0.00 N ATOM 234 CA VAL A 20 145.129 6.100 6.874 1.00 0.00 C ATOM 235 C VAL A 20 144.519 5.574 8.170 1.00 0.00 C ATOM 236 O VAL A 20 143.713 6.251 8.807 1.00 0.00 O ATOM 237 CB VAL A 20 146.198 7.156 7.214 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.345 6.528 7.991 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.707 7.827 5.947 1.00 0.00 C ATOM 0 H VAL A 20 144.229 7.630 5.757 1.00 0.00 H new ATOM 0 HA VAL A 20 145.601 5.277 6.337 1.00 0.00 H new ATOM 0 HB VAL A 20 145.740 7.919 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 20 148.089 7.291 8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.965 6.100 8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.804 5.743 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.461 8.570 6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.147 7.077 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.878 8.316 5.436 1.00 0.00 H new ATOM 249 N GLY A 21 144.909 4.361 8.551 1.00 0.00 N ATOM 250 CA GLY A 21 144.389 3.766 9.768 1.00 0.00 C ATOM 251 C GLY A 21 143.355 2.692 9.492 1.00 0.00 C ATOM 252 O GLY A 21 143.267 1.704 10.221 1.00 0.00 O ATOM 0 H GLY A 21 145.574 3.781 8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 21 145.212 3.336 10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.944 4.544 10.388 1.00 0.00 H new ATOM 256 N SER A 22 142.573 2.885 8.436 1.00 0.00 N ATOM 257 CA SER A 22 141.539 1.927 8.063 1.00 0.00 C ATOM 258 C SER A 22 142.075 0.916 7.054 1.00 0.00 C ATOM 259 O SER A 22 142.823 1.271 6.144 1.00 0.00 O ATOM 260 CB SER A 22 140.325 2.654 7.480 1.00 0.00 C ATOM 261 OG SER A 22 139.898 3.701 8.333 1.00 0.00 O ATOM 0 H SER A 22 142.636 3.697 7.822 1.00 0.00 H new ATOM 0 HA SER A 22 141.234 1.391 8.962 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.576 3.059 6.500 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.510 1.946 7.333 1.00 0.00 H new ATOM 0 HG SER A 22 139.122 4.150 7.937 1.00 0.00 H new ATOM 267 N LEU A 23 141.687 -0.344 7.223 1.00 0.00 N ATOM 268 CA LEU A 23 142.130 -1.405 6.328 1.00 0.00 C ATOM 269 C LEU A 23 141.531 -1.230 4.935 1.00 0.00 C ATOM 270 O LEU A 23 140.386 -0.801 4.790 1.00 0.00 O ATOM 271 CB LEU A 23 141.744 -2.772 6.895 1.00 0.00 C ATOM 272 CG LEU A 23 142.431 -3.144 8.208 1.00 0.00 C ATOM 273 CD1 LEU A 23 141.538 -4.048 9.042 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.770 -3.816 7.937 1.00 0.00 C ATOM 0 H LEU A 23 141.067 -0.654 7.971 1.00 0.00 H new ATOM 0 HA LEU A 23 143.215 -1.347 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.665 -2.793 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.976 -3.535 6.152 1.00 0.00 H new ATOM 0 HG LEU A 23 142.613 -2.229 8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 23 142.045 -4.302 9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 23 140.605 -3.531 9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 23 141.323 -4.960 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 23 144.246 -4.074 8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.611 -4.722 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 23 144.414 -3.134 7.382 1.00 0.00 H new ATOM 286 N ALA A 24 142.313 -1.568 3.915 1.00 0.00 N ATOM 287 CA ALA A 24 141.861 -1.450 2.534 1.00 0.00 C ATOM 288 C ALA A 24 142.403 -2.592 1.681 1.00 0.00 C ATOM 289 O ALA A 24 143.501 -3.093 1.922 1.00 0.00 O ATOM 290 CB ALA A 24 142.284 -0.109 1.953 1.00 0.00 C ATOM 0 H ALA A 24 143.263 -1.926 4.019 1.00 0.00 H new ATOM 0 HA ALA A 24 140.773 -1.510 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.940 -0.035 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.845 0.697 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.371 -0.027 1.980 1.00 0.00 H new ATOM 296 N GLU A 25 141.625 -3.000 0.683 1.00 0.00 N ATOM 297 CA GLU A 25 142.027 -4.085 -0.206 1.00 0.00 C ATOM 298 C GLU A 25 142.292 -3.564 -1.615 1.00 0.00 C ATOM 299 O GLU A 25 141.654 -2.613 -2.065 1.00 0.00 O ATOM 300 CB GLU A 25 140.948 -5.169 -0.244 1.00 0.00 C ATOM 301 CG GLU A 25 141.402 -6.455 -0.914 1.00 0.00 C ATOM 302 CD GLU A 25 140.293 -7.124 -1.702 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.406 -6.404 -2.207 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.310 -8.368 -1.813 1.00 0.00 O ATOM 0 H GLU A 25 140.713 -2.596 0.470 1.00 0.00 H new ATOM 0 HA GLU A 25 142.950 -4.516 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.632 -5.392 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.075 -4.783 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.237 -6.238 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.771 -7.145 -0.155 1.00 0.00 H new ATOM 311 N VAL A 26 143.237 -4.195 -2.305 1.00 0.00 N ATOM 312 CA VAL A 26 143.585 -3.794 -3.663 1.00 0.00 C ATOM 313 C VAL A 26 143.070 -4.804 -4.682 1.00 0.00 C ATOM 314 O VAL A 26 142.814 -5.962 -4.350 1.00 0.00 O ATOM 315 CB VAL A 26 145.109 -3.645 -3.830 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.442 -3.046 -5.188 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.689 -2.798 -2.708 1.00 0.00 C ATOM 0 H VAL A 26 143.774 -4.984 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 26 143.111 -2.829 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 26 145.560 -4.636 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.523 -2.948 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.062 -3.697 -5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 26 144.979 -2.063 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.767 -2.704 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.233 -1.808 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.484 -3.274 -1.749 1.00 0.00 H new ATOM 327 N LYS A 27 142.921 -4.358 -5.925 1.00 0.00 N ATOM 328 CA LYS A 27 142.436 -5.222 -6.995 1.00 0.00 C ATOM 329 C LYS A 27 143.592 -5.717 -7.860 1.00 0.00 C ATOM 330 O LYS A 27 143.792 -5.240 -8.978 1.00 0.00 O ATOM 331 CB LYS A 27 141.416 -4.478 -7.859 1.00 0.00 C ATOM 332 CG LYS A 27 140.325 -5.376 -8.419 1.00 0.00 C ATOM 333 CD LYS A 27 139.217 -4.565 -9.072 1.00 0.00 C ATOM 334 CE LYS A 27 138.418 -5.404 -10.055 1.00 0.00 C ATOM 335 NZ LYS A 27 137.175 -5.947 -9.440 1.00 0.00 N ATOM 0 H LYS A 27 143.129 -3.403 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 27 141.951 -6.086 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 27 140.956 -3.688 -7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 27 141.936 -3.994 -8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 27 140.755 -6.061 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 27 139.907 -5.986 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 27 138.552 -4.171 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 27 139.648 -3.708 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 27 138.159 -4.798 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 27 139.035 -6.228 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 136.659 -6.513 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 137.423 -6.546 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 136.574 -5.161 -9.120 1.00 0.00 H new ATOM 349 N GLU A 28 144.348 -6.675 -7.336 1.00 0.00 N ATOM 350 CA GLU A 28 145.485 -7.234 -8.060 1.00 0.00 C ATOM 351 C GLU A 28 145.308 -8.734 -8.273 1.00 0.00 C ATOM 352 O GLU A 28 144.236 -9.284 -8.024 1.00 0.00 O ATOM 353 CB GLU A 28 146.784 -6.962 -7.298 1.00 0.00 C ATOM 354 CG GLU A 28 147.894 -6.398 -8.170 1.00 0.00 C ATOM 355 CD GLU A 28 149.273 -6.814 -7.700 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.701 -7.939 -8.037 1.00 0.00 O ATOM 357 OE2 GLU A 28 149.927 -6.017 -6.996 1.00 0.00 O ATOM 0 H GLU A 28 144.195 -7.081 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 28 145.538 -6.751 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.580 -6.263 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.128 -7.890 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 28 147.749 -6.731 -9.198 1.00 0.00 H new ATOM 0 HG3 GLU A 28 147.829 -5.310 -8.176 1.00 0.00 H new ATOM 364 N ASN A 29 146.368 -9.390 -8.733 1.00 0.00 N ATOM 365 CA ASN A 29 146.330 -10.827 -8.978 1.00 0.00 C ATOM 366 C ASN A 29 146.383 -11.602 -7.664 1.00 0.00 C ATOM 367 O ASN A 29 145.481 -12.382 -7.356 1.00 0.00 O ATOM 368 CB ASN A 29 147.492 -11.244 -9.881 1.00 0.00 C ATOM 369 CG ASN A 29 147.075 -11.385 -11.332 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.152 -12.470 -11.908 1.00 0.00 O ATOM 371 ND2 ASN A 29 146.632 -10.286 -11.930 1.00 0.00 N ATOM 0 H ASN A 29 147.264 -8.950 -8.944 1.00 0.00 H new ATOM 0 HA ASN A 29 145.391 -11.062 -9.480 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.290 -10.506 -9.805 1.00 0.00 H new ATOM 0 HB3 ASN A 29 147.900 -12.192 -9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 29 146.338 -10.320 -12.906 1.00 0.00 H new ATOM 0 HD22 ASN A 29 146.585 -9.408 -11.413 1.00 0.00 H new ATOM 378 N PRO A 30 147.447 -11.398 -6.867 1.00 0.00 N ATOM 379 CA PRO A 30 147.615 -12.080 -5.582 1.00 0.00 C ATOM 380 C PRO A 30 146.774 -11.446 -4.474 1.00 0.00 C ATOM 381 O PRO A 30 147.040 -10.320 -4.053 1.00 0.00 O ATOM 382 CB PRO A 30 149.102 -11.897 -5.291 1.00 0.00 C ATOM 383 CG PRO A 30 149.451 -10.601 -5.938 1.00 0.00 C ATOM 384 CD PRO A 30 148.571 -10.485 -7.157 1.00 0.00 C ATOM 0 HA PRO A 30 147.293 -13.121 -5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.296 -11.871 -4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 30 149.691 -12.717 -5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.282 -9.768 -5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.505 -10.577 -6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.227 -9.462 -7.306 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.101 -10.778 -8.063 1.00 0.00 H new ATOM 392 N PRO A 31 145.743 -12.160 -3.985 1.00 0.00 N ATOM 393 CA PRO A 31 144.867 -11.651 -2.922 1.00 0.00 C ATOM 394 C PRO A 31 145.631 -11.361 -1.634 1.00 0.00 C ATOM 395 O PRO A 31 145.878 -12.261 -0.831 1.00 0.00 O ATOM 396 CB PRO A 31 143.861 -12.788 -2.699 1.00 0.00 C ATOM 397 CG PRO A 31 143.932 -13.617 -3.935 1.00 0.00 C ATOM 398 CD PRO A 31 145.346 -13.508 -4.423 1.00 0.00 C ATOM 0 HA PRO A 31 144.402 -10.706 -3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 31 144.117 -13.374 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 31 142.855 -12.399 -2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 31 143.670 -14.654 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 31 143.230 -13.257 -4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 31 145.984 -14.278 -3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.409 -13.616 -5.506 1.00 0.00 H new ATOM 406 N PHE A 32 146.003 -10.099 -1.443 1.00 0.00 N ATOM 407 CA PHE A 32 146.739 -9.692 -0.251 1.00 0.00 C ATOM 408 C PHE A 32 145.957 -8.649 0.541 1.00 0.00 C ATOM 409 O PHE A 32 145.177 -7.882 -0.023 1.00 0.00 O ATOM 410 CB PHE A 32 148.111 -9.133 -0.638 1.00 0.00 C ATOM 411 CG PHE A 32 148.053 -8.094 -1.721 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.452 -6.868 -1.492 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.601 -8.346 -2.969 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.398 -5.910 -2.486 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.550 -7.391 -3.967 1.00 0.00 C ATOM 416 CZ PHE A 32 147.948 -6.173 -3.726 1.00 0.00 C ATOM 0 H PHE A 32 145.807 -9.342 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 32 146.877 -10.571 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.580 -8.699 0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.749 -9.953 -0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 32 147.020 -6.658 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.073 -9.298 -3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 32 146.927 -4.957 -2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 32 148.981 -7.598 -4.935 1.00 0.00 H new ATOM 0 HZ PHE A 32 147.907 -5.426 -4.505 1.00 0.00 H new ATOM 426 N TYR A 33 146.172 -8.627 1.852 1.00 0.00 N ATOM 427 CA TYR A 33 145.487 -7.678 2.724 1.00 0.00 C ATOM 428 C TYR A 33 146.483 -6.735 3.392 1.00 0.00 C ATOM 429 O TYR A 33 147.663 -7.058 3.527 1.00 0.00 O ATOM 430 CB TYR A 33 144.680 -8.423 3.788 1.00 0.00 C ATOM 431 CG TYR A 33 143.321 -8.881 3.308 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.445 -7.995 2.695 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.916 -10.200 3.468 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.203 -8.410 2.254 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.675 -10.623 3.030 1.00 0.00 C ATOM 436 CZ TYR A 33 140.822 -9.724 2.425 1.00 0.00 C ATOM 437 OH TYR A 33 139.587 -10.141 1.987 1.00 0.00 O ATOM 0 H TYR A 33 146.815 -9.255 2.335 1.00 0.00 H new ATOM 0 HA TYR A 33 144.808 -7.085 2.112 1.00 0.00 H new ATOM 0 HB2 TYR A 33 145.249 -9.290 4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.550 -7.774 4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.739 -6.965 2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.581 -10.906 3.942 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.534 -7.709 1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.375 -11.652 3.161 1.00 0.00 H new ATOM 0 HH TYR A 33 139.475 -11.095 2.183 1.00 0.00 H new ATOM 447 N GLY A 34 146.000 -5.569 3.806 1.00 0.00 N ATOM 448 CA GLY A 34 146.860 -4.597 4.454 1.00 0.00 C ATOM 449 C GLY A 34 146.089 -3.403 4.982 1.00 0.00 C ATOM 450 O GLY A 34 144.865 -3.346 4.867 1.00 0.00 O ATOM 0 H GLY A 34 145.027 -5.279 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.390 -5.077 5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.614 -4.254 3.746 1.00 0.00 H new ATOM 454 N VAL A 35 146.806 -2.446 5.563 1.00 0.00 N ATOM 455 CA VAL A 35 146.181 -1.248 6.109 1.00 0.00 C ATOM 456 C VAL A 35 146.793 0.013 5.508 1.00 0.00 C ATOM 457 O VAL A 35 147.996 0.070 5.250 1.00 0.00 O ATOM 458 CB VAL A 35 146.314 -1.196 7.645 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.778 -1.180 8.059 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.577 0.012 8.206 1.00 0.00 C ATOM 0 H VAL A 35 147.820 -2.478 5.667 1.00 0.00 H new ATOM 0 HA VAL A 35 145.124 -1.292 5.847 1.00 0.00 H new ATOM 0 HB VAL A 35 145.857 -2.095 8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.848 -1.143 9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 35 148.269 -2.082 7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 35 148.267 -0.303 7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.683 0.031 9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.999 0.924 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 35 144.521 -0.053 7.945 1.00 0.00 H new ATOM 470 N ILE A 36 145.957 1.023 5.287 1.00 0.00 N ATOM 471 CA ILE A 36 146.417 2.284 4.717 1.00 0.00 C ATOM 472 C ILE A 36 147.383 2.991 5.660 1.00 0.00 C ATOM 473 O ILE A 36 147.192 2.989 6.877 1.00 0.00 O ATOM 474 CB ILE A 36 145.237 3.227 4.404 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.177 2.498 3.576 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.730 4.467 3.673 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.978 3.357 3.239 1.00 0.00 C ATOM 0 H ILE A 36 144.959 0.993 5.494 1.00 0.00 H new ATOM 0 HA ILE A 36 146.932 2.041 3.787 1.00 0.00 H new ATOM 0 HB ILE A 36 144.782 3.540 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.631 2.143 2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.841 1.618 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.886 5.123 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.451 4.995 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.207 4.173 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.268 2.776 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.499 3.691 4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.302 4.224 2.663 1.00 0.00 H new ATOM 489 N ARG A 37 148.422 3.594 5.092 1.00 0.00 N ATOM 490 CA ARG A 37 149.419 4.306 5.884 1.00 0.00 C ATOM 491 C ARG A 37 149.600 5.734 5.378 1.00 0.00 C ATOM 492 O ARG A 37 149.315 6.696 6.093 1.00 0.00 O ATOM 493 CB ARG A 37 150.757 3.565 5.841 1.00 0.00 C ATOM 494 CG ARG A 37 150.628 2.064 6.040 1.00 0.00 C ATOM 495 CD ARG A 37 150.143 1.726 7.441 1.00 0.00 C ATOM 496 NE ARG A 37 150.984 2.329 8.471 1.00 0.00 N ATOM 497 CZ ARG A 37 150.601 2.499 9.735 1.00 0.00 C ATOM 498 NH1 ARG A 37 149.394 2.110 10.129 1.00 0.00 N ATOM 499 NH2 ARG A 37 151.427 3.058 10.608 1.00 0.00 N ATOM 0 H ARG A 37 148.596 3.604 4.087 1.00 0.00 H new ATOM 0 HA ARG A 37 149.066 4.348 6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.238 3.756 4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.412 3.970 6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.933 1.657 5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.593 1.588 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 37 149.117 2.072 7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 37 150.132 0.644 7.570 1.00 0.00 H new ATOM 0 HE ARG A 37 151.919 2.638 8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 37 148.754 1.678 9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.107 2.243 11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 37 152.356 3.358 10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 37 151.134 3.188 11.576 1.00 0.00 H new ATOM 513 N TRP A 38 150.072 5.866 4.142 1.00 0.00 N ATOM 514 CA TRP A 38 150.288 7.178 3.544 1.00 0.00 C ATOM 515 C TRP A 38 149.492 7.328 2.251 1.00 0.00 C ATOM 516 O TRP A 38 149.509 6.447 1.392 1.00 0.00 O ATOM 517 CB TRP A 38 151.780 7.399 3.270 1.00 0.00 C ATOM 518 CG TRP A 38 152.063 8.608 2.427 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.324 9.874 2.866 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.107 8.664 0.996 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.526 10.713 1.797 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.399 9.993 0.638 1.00 0.00 C ATOM 523 CE3 TRP A 38 151.928 7.718 -0.018 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.516 10.399 -0.691 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.045 8.121 -1.335 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.336 9.450 -1.661 1.00 0.00 C ATOM 0 H TRP A 38 150.312 5.081 3.536 1.00 0.00 H new ATOM 0 HA TRP A 38 149.940 7.932 4.250 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.305 7.498 4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.184 6.517 2.773 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.366 10.173 3.903 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.736 11.709 1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.702 6.690 0.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.740 11.424 -0.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 151.910 7.398 -2.126 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.420 9.733 -2.700 1.00 0.00 H new ATOM 537 N ILE A 39 148.803 8.456 2.118 1.00 0.00 N ATOM 538 CA ILE A 39 148.008 8.733 0.928 1.00 0.00 C ATOM 539 C ILE A 39 148.425 10.058 0.302 1.00 0.00 C ATOM 540 O ILE A 39 148.116 11.128 0.827 1.00 0.00 O ATOM 541 CB ILE A 39 146.503 8.781 1.255 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.092 7.549 2.061 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.687 8.879 -0.026 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.786 7.722 2.806 1.00 0.00 C ATOM 0 H ILE A 39 148.779 9.194 2.821 1.00 0.00 H new ATOM 0 HA ILE A 39 148.188 7.922 0.223 1.00 0.00 H new ATOM 0 HB ILE A 39 146.306 9.667 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.007 6.696 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.880 7.313 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.626 8.912 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 39 145.963 9.786 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 39 145.887 8.010 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.557 6.809 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.873 8.554 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 39 143.986 7.928 2.095 1.00 0.00 H new ATOM 556 N GLY A 40 149.136 9.983 -0.819 1.00 0.00 N ATOM 557 CA GLY A 40 149.587 11.188 -1.488 1.00 0.00 C ATOM 558 C GLY A 40 150.050 10.933 -2.908 1.00 0.00 C ATOM 559 O GLY A 40 149.843 9.848 -3.453 1.00 0.00 O ATOM 0 H GLY A 40 149.407 9.111 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 40 148.776 11.916 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.404 11.630 -0.918 1.00 0.00 H new ATOM 563 N GLN A 41 150.676 11.938 -3.509 1.00 0.00 N ATOM 564 CA GLN A 41 151.171 11.830 -4.875 1.00 0.00 C ATOM 565 C GLN A 41 152.650 12.210 -4.947 1.00 0.00 C ATOM 566 O GLN A 41 153.014 13.357 -4.695 1.00 0.00 O ATOM 567 CB GLN A 41 150.356 12.735 -5.799 1.00 0.00 C ATOM 568 CG GLN A 41 148.852 12.582 -5.627 1.00 0.00 C ATOM 569 CD GLN A 41 148.121 13.907 -5.696 1.00 0.00 C ATOM 570 OE1 GLN A 41 147.452 14.154 -6.815 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.156 14.700 -4.755 1.00 0.00 N flip ATOM 0 H GLN A 41 150.853 12.841 -3.069 1.00 0.00 H new ATOM 0 HA GLN A 41 151.064 10.795 -5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 41 150.631 13.773 -5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 41 150.619 12.516 -6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.467 11.918 -6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.646 12.107 -4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.683 14.469 -3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.658 15.588 -4.817 1.00 0.00 H new ATOM 580 N PRO A 42 153.526 11.248 -5.290 1.00 0.00 N ATOM 581 CA PRO A 42 154.970 11.495 -5.387 1.00 0.00 C ATOM 582 C PRO A 42 155.300 12.609 -6.376 1.00 0.00 C ATOM 583 O PRO A 42 154.494 12.938 -7.247 1.00 0.00 O ATOM 584 CB PRO A 42 155.535 10.160 -5.880 1.00 0.00 C ATOM 585 CG PRO A 42 154.511 9.149 -5.496 1.00 0.00 C ATOM 586 CD PRO A 42 153.188 9.849 -5.607 1.00 0.00 C ATOM 0 HA PRO A 42 155.389 11.821 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 42 155.694 10.172 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.498 9.943 -5.418 1.00 0.00 H new ATOM 0 HG2 PRO A 42 154.551 8.281 -6.154 1.00 0.00 H new ATOM 0 HG3 PRO A 42 154.679 8.787 -4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 42 152.763 9.753 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.456 9.442 -4.909 1.00 0.00 H new ATOM 594 N PRO A 43 156.498 13.206 -6.255 1.00 0.00 N ATOM 595 CA PRO A 43 156.932 14.287 -7.143 1.00 0.00 C ATOM 596 C PRO A 43 157.257 13.788 -8.547 1.00 0.00 C ATOM 597 O PRO A 43 158.402 13.454 -8.848 1.00 0.00 O ATOM 598 CB PRO A 43 158.194 14.817 -6.464 1.00 0.00 C ATOM 599 CG PRO A 43 158.722 13.662 -5.688 1.00 0.00 C ATOM 600 CD PRO A 43 157.519 12.874 -5.244 1.00 0.00 C ATOM 0 HA PRO A 43 156.155 15.039 -7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 43 158.921 15.166 -7.197 1.00 0.00 H new ATOM 0 HB3 PRO A 43 157.968 15.661 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.384 13.050 -6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.304 14.001 -4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 43 157.727 11.804 -5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.199 13.160 -4.242 1.00 0.00 H new ATOM 608 N GLY A 44 156.242 13.740 -9.402 1.00 0.00 N ATOM 609 CA GLY A 44 156.443 13.281 -10.762 1.00 0.00 C ATOM 610 C GLY A 44 155.166 12.772 -11.398 1.00 0.00 C ATOM 611 O GLY A 44 154.808 13.184 -12.502 1.00 0.00 O ATOM 0 H GLY A 44 155.285 14.011 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 44 156.843 14.098 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 44 157.189 12.487 -10.767 1.00 0.00 H new ATOM 615 N LEU A 45 154.477 11.874 -10.703 1.00 0.00 N ATOM 616 CA LEU A 45 153.232 11.309 -11.212 1.00 0.00 C ATOM 617 C LEU A 45 152.080 11.584 -10.252 1.00 0.00 C ATOM 618 O LEU A 45 152.048 11.056 -9.141 1.00 0.00 O ATOM 619 CB LEU A 45 153.383 9.802 -11.426 1.00 0.00 C ATOM 620 CG LEU A 45 153.993 9.040 -10.248 1.00 0.00 C ATOM 621 CD1 LEU A 45 153.616 7.566 -10.311 1.00 0.00 C ATOM 622 CD2 LEU A 45 155.507 9.208 -10.230 1.00 0.00 C ATOM 0 H LEU A 45 154.758 11.522 -9.788 1.00 0.00 H new ATOM 0 HA LEU A 45 153.008 11.784 -12.167 1.00 0.00 H new ATOM 0 HB2 LEU A 45 152.401 9.381 -11.643 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.003 9.636 -12.307 1.00 0.00 H new ATOM 0 HG LEU A 45 153.591 9.456 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.059 7.041 -9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 45 152.531 7.466 -10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 45 153.987 7.135 -11.241 1.00 0.00 H new ATOM 0 HD21 LEU A 45 155.924 8.659 -9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 45 155.927 8.820 -11.158 1.00 0.00 H new ATOM 0 HD23 LEU A 45 155.755 10.265 -10.134 1.00 0.00 H new ATOM 634 N ASN A 46 151.134 12.411 -10.685 1.00 0.00 N ATOM 635 CA ASN A 46 149.985 12.744 -9.853 1.00 0.00 C ATOM 636 C ASN A 46 149.025 11.564 -9.775 1.00 0.00 C ATOM 637 O ASN A 46 148.334 11.244 -10.743 1.00 0.00 O ATOM 638 CB ASN A 46 149.263 13.970 -10.414 1.00 0.00 C ATOM 639 CG ASN A 46 148.587 14.788 -9.332 1.00 0.00 C ATOM 640 OD1 ASN A 46 147.364 14.927 -9.315 1.00 0.00 O ATOM 641 ND2 ASN A 46 149.382 15.336 -8.419 1.00 0.00 N ATOM 0 H ASN A 46 151.140 12.860 -11.601 1.00 0.00 H new ATOM 0 HA ASN A 46 150.341 12.972 -8.848 1.00 0.00 H new ATOM 0 HB2 ASN A 46 149.978 14.597 -10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 46 148.518 13.648 -11.141 1.00 0.00 H new ATOM 0 HD21 ASN A 46 148.983 15.897 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 46 150.391 15.195 -8.471 1.00 0.00 H new ATOM 648 N GLU A 47 148.986 10.919 -8.614 1.00 0.00 N ATOM 649 CA GLU A 47 148.111 9.773 -8.401 1.00 0.00 C ATOM 650 C GLU A 47 148.019 9.432 -6.918 1.00 0.00 C ATOM 651 O GLU A 47 149.028 9.143 -6.276 1.00 0.00 O ATOM 652 CB GLU A 47 148.617 8.560 -9.186 1.00 0.00 C ATOM 653 CG GLU A 47 150.131 8.423 -9.196 1.00 0.00 C ATOM 654 CD GLU A 47 150.624 7.484 -10.279 1.00 0.00 C ATOM 655 OE1 GLU A 47 150.664 7.902 -11.456 1.00 0.00 O ATOM 656 OE2 GLU A 47 150.969 6.329 -9.952 1.00 0.00 O ATOM 0 H GLU A 47 149.552 11.172 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 47 147.116 10.036 -8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.183 7.656 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 47 148.261 8.630 -10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 47 150.580 9.406 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 47 150.466 8.059 -8.225 1.00 0.00 H new ATOM 663 N VAL A 48 146.806 9.458 -6.380 1.00 0.00 N ATOM 664 CA VAL A 48 146.596 9.143 -4.973 1.00 0.00 C ATOM 665 C VAL A 48 146.991 7.702 -4.680 1.00 0.00 C ATOM 666 O VAL A 48 146.235 6.771 -4.959 1.00 0.00 O ATOM 667 CB VAL A 48 145.128 9.358 -4.559 1.00 0.00 C ATOM 668 CG1 VAL A 48 144.974 9.233 -3.051 1.00 0.00 C ATOM 669 CG2 VAL A 48 144.629 10.711 -5.044 1.00 0.00 C ATOM 0 H VAL A 48 145.957 9.693 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 48 147.226 9.820 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 48 144.520 8.584 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 48 143.930 9.388 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.288 8.238 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.593 9.983 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 48 143.590 10.845 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.239 11.502 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 48 144.700 10.757 -6.131 1.00 0.00 H new ATOM 679 N LEU A 49 148.181 7.521 -4.117 1.00 0.00 N ATOM 680 CA LEU A 49 148.678 6.191 -3.789 1.00 0.00 C ATOM 681 C LEU A 49 148.629 5.954 -2.286 1.00 0.00 C ATOM 682 O LEU A 49 149.336 6.610 -1.521 1.00 0.00 O ATOM 683 CB LEU A 49 150.110 6.016 -4.298 1.00 0.00 C ATOM 684 CG LEU A 49 150.286 6.182 -5.809 1.00 0.00 C ATOM 685 CD1 LEU A 49 151.730 6.526 -6.143 1.00 0.00 C ATOM 686 CD2 LEU A 49 149.855 4.919 -6.537 1.00 0.00 C ATOM 0 H LEU A 49 148.819 8.280 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 49 148.036 5.458 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 49 150.750 6.739 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.462 5.024 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 49 149.652 7.004 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 49 151.837 6.640 -7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.005 7.459 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.384 5.726 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 49 149.987 5.055 -7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.463 4.079 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 49 148.806 4.716 -6.323 1.00 0.00 H new ATOM 698 N ALA A 50 147.792 5.012 -1.868 1.00 0.00 N ATOM 699 CA ALA A 50 147.655 4.694 -0.455 1.00 0.00 C ATOM 700 C ALA A 50 148.603 3.569 -0.052 1.00 0.00 C ATOM 701 O ALA A 50 148.470 2.437 -0.516 1.00 0.00 O ATOM 702 CB ALA A 50 146.217 4.316 -0.134 1.00 0.00 C ATOM 0 H ALA A 50 147.200 4.457 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 50 147.921 5.582 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.131 4.081 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.559 5.151 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 50 145.930 3.445 -0.723 1.00 0.00 H new ATOM 708 N GLY A 51 149.560 3.889 0.812 1.00 0.00 N ATOM 709 CA GLY A 51 150.516 2.895 1.261 1.00 0.00 C ATOM 710 C GLY A 51 149.875 1.819 2.115 1.00 0.00 C ATOM 711 O GLY A 51 149.355 2.100 3.194 1.00 0.00 O ATOM 0 H GLY A 51 149.691 4.819 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 51 150.989 2.433 0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.305 3.385 1.831 1.00 0.00 H new ATOM 715 N LEU A 52 149.911 0.582 1.630 1.00 0.00 N ATOM 716 CA LEU A 52 149.328 -0.540 2.356 1.00 0.00 C ATOM 717 C LEU A 52 150.414 -1.411 2.976 1.00 0.00 C ATOM 718 O LEU A 52 151.413 -1.731 2.329 1.00 0.00 O ATOM 719 CB LEU A 52 148.453 -1.379 1.423 1.00 0.00 C ATOM 720 CG LEU A 52 147.160 -0.702 0.966 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.473 -1.534 -0.106 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.229 -0.481 2.150 1.00 0.00 C ATOM 0 H LEU A 52 150.337 0.332 0.738 1.00 0.00 H new ATOM 0 HA LEU A 52 148.709 -0.139 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 52 149.038 -1.644 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 52 148.198 -2.311 1.928 1.00 0.00 H new ATOM 0 HG LEU A 52 147.410 0.269 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.555 -1.037 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.137 -1.643 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.234 -2.519 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.314 0.002 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.985 -1.441 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.721 0.155 2.886 1.00 0.00 H new ATOM 734 N GLU A 53 150.214 -1.793 4.232 1.00 0.00 N ATOM 735 CA GLU A 53 151.177 -2.629 4.941 1.00 0.00 C ATOM 736 C GLU A 53 150.694 -4.075 5.012 1.00 0.00 C ATOM 737 O GLU A 53 149.750 -4.389 5.735 1.00 0.00 O ATOM 738 CB GLU A 53 151.412 -2.087 6.352 1.00 0.00 C ATOM 739 CG GLU A 53 152.429 -2.889 7.149 1.00 0.00 C ATOM 740 CD GLU A 53 151.911 -3.295 8.516 1.00 0.00 C ATOM 741 OE1 GLU A 53 151.074 -2.557 9.077 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.344 -4.351 9.024 1.00 0.00 O ATOM 0 H GLU A 53 149.393 -1.537 4.781 1.00 0.00 H new ATOM 0 HA GLU A 53 152.117 -2.606 4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.750 -1.053 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.465 -2.078 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.702 -3.783 6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.338 -2.299 7.269 1.00 0.00 H new ATOM 749 N LEU A 54 151.348 -4.948 4.254 1.00 0.00 N ATOM 750 CA LEU A 54 150.986 -6.361 4.232 1.00 0.00 C ATOM 751 C LEU A 54 151.279 -7.020 5.575 1.00 0.00 C ATOM 752 O LEU A 54 152.360 -6.849 6.139 1.00 0.00 O ATOM 753 CB LEU A 54 151.745 -7.085 3.118 1.00 0.00 C ATOM 754 CG LEU A 54 151.619 -6.449 1.731 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.797 -6.845 0.855 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.307 -6.853 1.077 1.00 0.00 C ATOM 0 H LEU A 54 152.131 -4.703 3.647 1.00 0.00 H new ATOM 0 HA LEU A 54 149.915 -6.433 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.800 -7.129 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.387 -8.113 3.064 1.00 0.00 H new ATOM 0 HG LEU A 54 151.626 -5.365 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.691 -6.384 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.724 -6.506 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.821 -7.929 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.234 -6.392 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 54 150.271 -7.937 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.474 -6.520 1.696 1.00 0.00 H new ATOM 768 N GLU A 55 150.309 -7.774 6.083 1.00 0.00 N ATOM 769 CA GLU A 55 150.462 -8.459 7.360 1.00 0.00 C ATOM 770 C GLU A 55 151.571 -9.504 7.289 1.00 0.00 C ATOM 771 O GLU A 55 152.265 -9.755 8.274 1.00 0.00 O ATOM 772 CB GLU A 55 149.146 -9.124 7.768 1.00 0.00 C ATOM 773 CG GLU A 55 148.103 -8.144 8.281 1.00 0.00 C ATOM 774 CD GLU A 55 147.157 -8.774 9.285 1.00 0.00 C ATOM 775 OE1 GLU A 55 147.622 -9.586 10.112 1.00 0.00 O ATOM 776 OE2 GLU A 55 145.950 -8.455 9.243 1.00 0.00 O ATOM 0 H GLU A 55 149.408 -7.926 5.629 1.00 0.00 H new ATOM 0 HA GLU A 55 150.734 -7.716 8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.738 -9.660 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 55 149.347 -9.865 8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 55 148.605 -7.294 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 55 147.529 -7.756 7.440 1.00 0.00 H new ATOM 783 N ASP A 56 151.732 -10.111 6.118 1.00 0.00 N ATOM 784 CA ASP A 56 152.757 -11.128 5.919 1.00 0.00 C ATOM 785 C ASP A 56 154.003 -10.528 5.278 1.00 0.00 C ATOM 786 O ASP A 56 153.911 -9.733 4.342 1.00 0.00 O ATOM 787 CB ASP A 56 152.217 -12.262 5.046 1.00 0.00 C ATOM 788 CG ASP A 56 151.588 -13.373 5.864 1.00 0.00 C ATOM 789 OD1 ASP A 56 151.216 -13.115 7.028 1.00 0.00 O ATOM 790 OD2 ASP A 56 151.467 -14.501 5.341 1.00 0.00 O ATOM 0 H ASP A 56 151.166 -9.916 5.292 1.00 0.00 H new ATOM 0 HA ASP A 56 153.030 -11.528 6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 56 151.477 -11.862 4.352 1.00 0.00 H new ATOM 0 HB3 ASP A 56 153.029 -12.672 4.445 1.00 0.00 H new ATOM 795 N GLU A 57 155.169 -10.913 5.787 1.00 0.00 N ATOM 796 CA GLU A 57 156.435 -10.413 5.264 1.00 0.00 C ATOM 797 C GLU A 57 156.757 -11.051 3.916 1.00 0.00 C ATOM 798 O GLU A 57 157.071 -12.238 3.840 1.00 0.00 O ATOM 799 CB GLU A 57 157.567 -10.690 6.256 1.00 0.00 C ATOM 800 CG GLU A 57 157.459 -9.886 7.541 1.00 0.00 C ATOM 801 CD GLU A 57 158.779 -9.793 8.281 1.00 0.00 C ATOM 802 OE1 GLU A 57 159.329 -10.852 8.651 1.00 0.00 O ATOM 803 OE2 GLU A 57 159.263 -8.661 8.493 1.00 0.00 O ATOM 0 H GLU A 57 155.263 -11.570 6.562 1.00 0.00 H new ATOM 0 HA GLU A 57 156.341 -9.336 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 57 157.573 -11.752 6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.521 -10.468 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.105 -8.882 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.713 -10.344 8.191 1.00 0.00 H new ATOM 810 N CYS A 58 156.675 -10.254 2.856 1.00 0.00 N ATOM 811 CA CYS A 58 156.958 -10.741 1.511 1.00 0.00 C ATOM 812 C CYS A 58 158.320 -10.252 1.030 1.00 0.00 C ATOM 813 O CYS A 58 158.642 -9.070 1.145 1.00 0.00 O ATOM 814 CB CYS A 58 155.867 -10.285 0.541 1.00 0.00 C ATOM 815 SG CYS A 58 154.348 -11.261 0.627 1.00 0.00 S ATOM 0 H CYS A 58 156.415 -9.269 2.902 1.00 0.00 H new ATOM 0 HA CYS A 58 156.974 -11.830 1.542 1.00 0.00 H new ATOM 0 HB2 CYS A 58 155.628 -9.241 0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 58 156.258 -10.330 -0.476 1.00 0.00 H new ATOM 0 HG CYS A 58 153.485 -10.798 -0.228 1.00 0.00 H new ATOM 821 N ALA A 59 159.116 -11.169 0.490 1.00 0.00 N ATOM 822 CA ALA A 59 160.443 -10.831 -0.010 1.00 0.00 C ATOM 823 C ALA A 59 160.355 -9.963 -1.260 1.00 0.00 C ATOM 824 O ALA A 59 159.723 -10.342 -2.247 1.00 0.00 O ATOM 825 CB ALA A 59 161.238 -12.096 -0.297 1.00 0.00 C ATOM 0 H ALA A 59 158.865 -12.152 0.388 1.00 0.00 H new ATOM 0 HA ALA A 59 160.959 -10.259 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 59 162.227 -11.828 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 59 161.341 -12.677 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.717 -12.691 -1.047 1.00 0.00 H new ATOM 831 N GLY A 60 160.991 -8.797 -1.212 1.00 0.00 N ATOM 832 CA GLY A 60 160.970 -7.894 -2.347 1.00 0.00 C ATOM 833 C GLY A 60 160.116 -6.667 -2.097 1.00 0.00 C ATOM 834 O GLY A 60 159.562 -6.088 -3.032 1.00 0.00 O ATOM 0 H GLY A 60 161.520 -8.462 -0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.989 -7.583 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 60 160.592 -8.424 -3.222 1.00 0.00 H new ATOM 838 N CYS A 61 160.011 -6.269 -0.834 1.00 0.00 N ATOM 839 CA CYS A 61 159.219 -5.102 -0.463 1.00 0.00 C ATOM 840 C CYS A 61 160.044 -4.127 0.371 1.00 0.00 C ATOM 841 O CYS A 61 161.192 -4.408 0.718 1.00 0.00 O ATOM 842 CB CYS A 61 157.976 -5.532 0.318 1.00 0.00 C ATOM 843 SG CYS A 61 156.886 -6.654 -0.588 1.00 0.00 S ATOM 0 H CYS A 61 160.464 -6.737 -0.050 1.00 0.00 H new ATOM 0 HA CYS A 61 158.910 -4.598 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 61 158.291 -6.016 1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 61 157.412 -4.643 0.600 1.00 0.00 H new ATOM 0 HG CYS A 61 157.162 -7.882 -0.264 1.00 0.00 H new ATOM 849 N THR A 62 159.453 -2.980 0.688 1.00 0.00 N ATOM 850 CA THR A 62 160.133 -1.963 1.481 1.00 0.00 C ATOM 851 C THR A 62 159.551 -1.891 2.889 1.00 0.00 C ATOM 852 O THR A 62 158.550 -2.540 3.191 1.00 0.00 O ATOM 853 CB THR A 62 160.022 -0.597 0.802 1.00 0.00 C ATOM 854 OG1 THR A 62 158.691 -0.355 0.380 1.00 0.00 O ATOM 855 CG2 THR A 62 160.918 -0.457 -0.410 1.00 0.00 C ATOM 0 H THR A 62 158.504 -2.731 0.408 1.00 0.00 H new ATOM 0 HA THR A 62 161.185 -2.240 1.555 1.00 0.00 H new ATOM 0 HB THR A 62 160.338 0.126 1.554 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.627 0.547 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.791 0.535 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.958 -0.592 -0.111 1.00 0.00 H new ATOM 0 HG23 THR A 62 160.652 -1.213 -1.149 1.00 0.00 H new ATOM 863 N ASP A 63 160.186 -1.098 3.746 1.00 0.00 N ATOM 864 CA ASP A 63 159.731 -0.942 5.124 1.00 0.00 C ATOM 865 C ASP A 63 158.970 0.368 5.299 1.00 0.00 C ATOM 866 O ASP A 63 158.997 0.975 6.370 1.00 0.00 O ATOM 867 CB ASP A 63 160.920 -0.987 6.084 1.00 0.00 C ATOM 868 CG ASP A 63 162.000 0.012 5.714 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.659 1.181 5.440 1.00 0.00 O ATOM 870 OD2 ASP A 63 163.187 -0.376 5.700 1.00 0.00 O ATOM 0 H ASP A 63 161.016 -0.554 3.511 1.00 0.00 H new ATOM 0 HA ASP A 63 159.057 -1.767 5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.573 -0.784 7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.343 -1.991 6.087 1.00 0.00 H new ATOM 875 N GLY A 64 158.292 0.798 4.240 1.00 0.00 N ATOM 876 CA GLY A 64 157.532 2.035 4.298 1.00 0.00 C ATOM 877 C GLY A 64 158.158 3.138 3.469 1.00 0.00 C ATOM 878 O GLY A 64 158.231 4.287 3.907 1.00 0.00 O ATOM 0 H GLY A 64 158.255 0.313 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.517 1.851 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.455 2.363 5.335 1.00 0.00 H new ATOM 882 N THR A 65 158.611 2.791 2.269 1.00 0.00 N ATOM 883 CA THR A 65 159.233 3.761 1.376 1.00 0.00 C ATOM 884 C THR A 65 158.795 3.533 -0.066 1.00 0.00 C ATOM 885 O THR A 65 158.999 2.456 -0.625 1.00 0.00 O ATOM 886 CB THR A 65 160.758 3.673 1.477 1.00 0.00 C ATOM 887 OG1 THR A 65 161.181 2.322 1.501 1.00 0.00 O ATOM 888 CG2 THR A 65 161.315 4.351 2.709 1.00 0.00 C ATOM 0 H THR A 65 158.559 1.844 1.892 1.00 0.00 H new ATOM 0 HA THR A 65 158.911 4.757 1.681 1.00 0.00 H new ATOM 0 HB THR A 65 161.137 4.190 0.595 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.158 2.286 1.564 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.400 4.252 2.720 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.047 5.408 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.899 3.883 3.601 1.00 0.00 H new ATOM 896 N PHE A 66 158.192 4.556 -0.665 1.00 0.00 N ATOM 897 CA PHE A 66 157.725 4.467 -2.044 1.00 0.00 C ATOM 898 C PHE A 66 158.660 5.221 -2.983 1.00 0.00 C ATOM 899 O PHE A 66 158.855 6.429 -2.843 1.00 0.00 O ATOM 900 CB PHE A 66 156.306 5.025 -2.160 1.00 0.00 C ATOM 901 CG PHE A 66 155.651 4.726 -3.479 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.476 3.417 -3.900 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.211 5.754 -4.297 1.00 0.00 C ATOM 904 CE1 PHE A 66 154.874 3.138 -5.112 1.00 0.00 C ATOM 905 CE2 PHE A 66 154.608 5.482 -5.511 1.00 0.00 C ATOM 906 CZ PHE A 66 154.439 4.173 -5.918 1.00 0.00 C ATOM 0 H PHE A 66 158.016 5.455 -0.217 1.00 0.00 H new ATOM 0 HA PHE A 66 157.719 3.416 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 66 155.695 4.612 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.336 6.105 -2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 66 155.814 2.605 -3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.340 6.779 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 66 154.744 2.114 -5.429 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.270 6.292 -6.140 1.00 0.00 H new ATOM 0 HZ PHE A 66 153.967 3.958 -6.866 1.00 0.00 H new ATOM 916 N ARG A 67 159.236 4.503 -3.941 1.00 0.00 N ATOM 917 CA ARG A 67 160.150 5.105 -4.903 1.00 0.00 C ATOM 918 C ARG A 67 161.354 5.721 -4.197 1.00 0.00 C ATOM 919 O ARG A 67 161.911 6.720 -4.654 1.00 0.00 O ATOM 920 CB ARG A 67 159.427 6.171 -5.728 1.00 0.00 C ATOM 921 CG ARG A 67 158.093 5.706 -6.288 1.00 0.00 C ATOM 922 CD ARG A 67 158.260 5.031 -7.639 1.00 0.00 C ATOM 923 NE ARG A 67 158.418 3.585 -7.514 1.00 0.00 N ATOM 924 CZ ARG A 67 158.263 2.732 -8.524 1.00 0.00 C ATOM 925 NH1 ARG A 67 157.948 3.175 -9.734 1.00 0.00 N ATOM 926 NH2 ARG A 67 158.425 1.431 -8.324 1.00 0.00 N ATOM 0 H ARG A 67 159.086 3.503 -4.072 1.00 0.00 H new ATOM 0 HA ARG A 67 160.505 4.319 -5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.263 7.051 -5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.070 6.479 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 67 157.626 5.012 -5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 67 157.422 6.559 -6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 67 157.392 5.248 -8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 67 159.130 5.448 -8.147 1.00 0.00 H new ATOM 0 HE ARG A 67 158.661 3.206 -6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 67 157.823 4.175 -9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 67 157.831 2.516 -10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 67 158.668 1.084 -7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 67 158.306 0.777 -9.098 1.00 0.00 H new ATOM 940 N GLY A 68 161.749 5.121 -3.080 1.00 0.00 N ATOM 941 CA GLY A 68 162.884 5.624 -2.328 1.00 0.00 C ATOM 942 C GLY A 68 162.519 6.802 -1.446 1.00 0.00 C ATOM 943 O GLY A 68 163.364 7.644 -1.143 1.00 0.00 O ATOM 0 H GLY A 68 161.303 4.295 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.290 4.823 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 68 163.671 5.923 -3.020 1.00 0.00 H new ATOM 947 N THR A 69 161.257 6.861 -1.033 1.00 0.00 N ATOM 948 CA THR A 69 160.782 7.945 -0.180 1.00 0.00 C ATOM 949 C THR A 69 159.945 7.403 0.975 1.00 0.00 C ATOM 950 O THR A 69 158.848 6.885 0.769 1.00 0.00 O ATOM 951 CB THR A 69 159.959 8.941 -0.998 1.00 0.00 C ATOM 952 OG1 THR A 69 160.631 9.282 -2.197 1.00 0.00 O ATOM 953 CG2 THR A 69 159.663 10.226 -0.255 1.00 0.00 C ATOM 0 H THR A 69 160.545 6.172 -1.275 1.00 0.00 H new ATOM 0 HA THR A 69 161.651 8.456 0.234 1.00 0.00 H new ATOM 0 HB THR A 69 159.016 8.435 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.088 9.919 -2.707 1.00 0.00 H new ATOM 0 HG21 THR A 69 159.076 10.888 -0.892 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.100 10.001 0.651 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.599 10.716 0.012 1.00 0.00 H new ATOM 961 N ARG A 70 160.472 7.526 2.189 1.00 0.00 N ATOM 962 CA ARG A 70 159.773 7.048 3.376 1.00 0.00 C ATOM 963 C ARG A 70 158.628 7.985 3.747 1.00 0.00 C ATOM 964 O ARG A 70 158.820 9.195 3.876 1.00 0.00 O ATOM 965 CB ARG A 70 160.745 6.923 4.551 1.00 0.00 C ATOM 966 CG ARG A 70 160.211 6.076 5.694 1.00 0.00 C ATOM 967 CD ARG A 70 160.766 6.535 7.033 1.00 0.00 C ATOM 968 NE ARG A 70 162.223 6.642 7.014 1.00 0.00 N ATOM 969 CZ ARG A 70 162.971 6.784 8.106 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.403 6.833 9.305 1.00 0.00 N ATOM 971 NH2 ARG A 70 164.289 6.874 8.000 1.00 0.00 N ATOM 0 H ARG A 70 161.380 7.952 2.376 1.00 0.00 H new ATOM 0 HA ARG A 70 159.357 6.066 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.679 6.490 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 70 160.978 7.919 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.123 6.131 5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.475 5.031 5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.335 7.502 7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.464 5.833 7.810 1.00 0.00 H new ATOM 0 HE ARG A 70 162.695 6.606 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.389 6.762 9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 70 162.980 6.942 10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 70 164.731 6.834 7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.862 6.983 8.837 1.00 0.00 H new ATOM 985 N TYR A 71 157.438 7.420 3.917 1.00 0.00 N ATOM 986 CA TYR A 71 156.262 8.204 4.273 1.00 0.00 C ATOM 987 C TYR A 71 155.798 7.879 5.689 1.00 0.00 C ATOM 988 O TYR A 71 155.340 8.757 6.421 1.00 0.00 O ATOM 989 CB TYR A 71 155.128 7.942 3.280 1.00 0.00 C ATOM 990 CG TYR A 71 155.340 8.592 1.932 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.738 9.920 1.834 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.142 7.880 0.756 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.933 10.518 0.604 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.336 8.471 -0.478 1.00 0.00 C ATOM 995 CZ TYR A 71 155.731 9.790 -0.549 1.00 0.00 C ATOM 996 OH TYR A 71 155.924 10.382 -1.776 1.00 0.00 O ATOM 0 H TYR A 71 157.262 6.421 3.814 1.00 0.00 H new ATOM 0 HA TYR A 71 156.535 9.259 4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.019 6.866 3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.193 8.305 3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.898 10.494 2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 71 154.831 6.847 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 71 156.242 11.551 0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.179 7.902 -1.383 1.00 0.00 H new ATOM 0 HH TYR A 71 155.740 9.732 -2.486 1.00 0.00 H new ATOM 1006 N PHE A 72 155.919 6.611 6.069 1.00 0.00 N ATOM 1007 CA PHE A 72 155.513 6.169 7.397 1.00 0.00 C ATOM 1008 C PHE A 72 156.513 5.169 7.968 1.00 0.00 C ATOM 1009 O PHE A 72 157.471 4.783 7.299 1.00 0.00 O ATOM 1010 CB PHE A 72 154.119 5.541 7.343 1.00 0.00 C ATOM 1011 CG PHE A 72 154.009 4.406 6.366 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.735 4.650 5.030 1.00 0.00 C ATOM 1013 CD2 PHE A 72 154.181 3.096 6.783 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.633 3.608 4.128 1.00 0.00 C ATOM 1015 CE2 PHE A 72 154.081 2.050 5.886 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.806 2.306 4.557 1.00 0.00 C ATOM 0 H PHE A 72 156.295 5.872 5.475 1.00 0.00 H new ATOM 0 HA PHE A 72 155.487 7.041 8.051 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.853 5.181 8.337 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.393 6.310 7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.600 5.666 4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.396 2.890 7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.418 3.811 3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 72 154.218 1.033 6.224 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.726 1.490 3.854 1.00 0.00 H new ATOM 1026 N THR A 73 156.282 4.752 9.209 1.00 0.00 N ATOM 1027 CA THR A 73 157.162 3.795 9.870 1.00 0.00 C ATOM 1028 C THR A 73 156.453 2.463 10.088 1.00 0.00 C ATOM 1029 O THR A 73 155.491 2.378 10.851 1.00 0.00 O ATOM 1030 CB THR A 73 157.643 4.355 11.210 1.00 0.00 C ATOM 1031 OG1 THR A 73 156.583 5.000 11.894 1.00 0.00 O ATOM 1032 CG2 THR A 73 158.773 5.352 11.071 1.00 0.00 C ATOM 0 H THR A 73 155.493 5.062 9.777 1.00 0.00 H new ATOM 0 HA THR A 73 158.023 3.625 9.224 1.00 0.00 H new ATOM 0 HB THR A 73 158.007 3.493 11.769 1.00 0.00 H new ATOM 0 HG1 THR A 73 155.779 4.441 11.853 1.00 0.00 H new ATOM 0 HG21 THR A 73 159.066 5.710 12.058 1.00 0.00 H new ATOM 0 HG22 THR A 73 159.626 4.871 10.591 1.00 0.00 H new ATOM 0 HG23 THR A 73 158.442 6.194 10.463 1.00 0.00 H new ATOM 1040 N CYS A 74 156.934 1.425 9.411 1.00 0.00 N ATOM 1041 CA CYS A 74 156.346 0.096 9.531 1.00 0.00 C ATOM 1042 C CYS A 74 157.427 -0.980 9.525 1.00 0.00 C ATOM 1043 O CYS A 74 158.610 -0.684 9.362 1.00 0.00 O ATOM 1044 CB CYS A 74 155.357 -0.152 8.390 1.00 0.00 C ATOM 1045 SG CYS A 74 153.661 0.351 8.762 1.00 0.00 S ATOM 0 H CYS A 74 157.729 1.479 8.774 1.00 0.00 H new ATOM 0 HA CYS A 74 155.814 0.046 10.481 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.698 0.385 7.505 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.364 -1.213 8.142 1.00 0.00 H new ATOM 0 HG CYS A 74 153.284 1.264 7.917 1.00 0.00 H new ATOM 1051 N ALA A 75 157.011 -2.229 9.704 1.00 0.00 N ATOM 1052 CA ALA A 75 157.944 -3.350 9.720 1.00 0.00 C ATOM 1053 C ALA A 75 158.702 -3.452 8.401 1.00 0.00 C ATOM 1054 O ALA A 75 158.480 -2.661 7.484 1.00 0.00 O ATOM 1055 CB ALA A 75 157.205 -4.647 10.008 1.00 0.00 C ATOM 0 H ALA A 75 156.035 -2.491 9.840 1.00 0.00 H new ATOM 0 HA ALA A 75 158.670 -3.175 10.514 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.914 -5.475 10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.715 -4.578 10.979 1.00 0.00 H new ATOM 0 HB3 ALA A 75 156.456 -4.819 9.235 1.00 0.00 H new ATOM 1061 N LEU A 76 159.596 -4.431 8.312 1.00 0.00 N ATOM 1062 CA LEU A 76 160.387 -4.637 7.104 1.00 0.00 C ATOM 1063 C LEU A 76 159.716 -5.649 6.180 1.00 0.00 C ATOM 1064 O LEU A 76 159.147 -6.640 6.638 1.00 0.00 O ATOM 1065 CB LEU A 76 161.794 -5.115 7.466 1.00 0.00 C ATOM 1066 CG LEU A 76 162.730 -4.029 7.999 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.737 -4.623 8.971 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.442 -3.330 6.851 1.00 0.00 C ATOM 0 H LEU A 76 159.791 -5.094 9.062 1.00 0.00 H new ATOM 0 HA LEU A 76 160.458 -3.684 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.712 -5.902 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 76 162.248 -5.562 6.582 1.00 0.00 H new ATOM 0 HG LEU A 76 162.133 -3.290 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.395 -3.836 9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 76 163.209 -5.077 9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 76 164.330 -5.382 8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 76 164.104 -2.560 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 76 164.028 -4.058 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.705 -2.870 6.192 1.00 0.00 H new ATOM 1080 N LYS A 77 159.786 -5.390 4.878 1.00 0.00 N ATOM 1081 CA LYS A 77 159.185 -6.279 3.890 1.00 0.00 C ATOM 1082 C LYS A 77 157.676 -6.375 4.090 1.00 0.00 C ATOM 1083 O LYS A 77 157.083 -7.440 3.918 1.00 0.00 O ATOM 1084 CB LYS A 77 159.812 -7.672 3.975 1.00 0.00 C ATOM 1085 CG LYS A 77 161.303 -7.687 3.676 1.00 0.00 C ATOM 1086 CD LYS A 77 161.578 -7.419 2.206 1.00 0.00 C ATOM 1087 CE LYS A 77 162.960 -6.821 1.998 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.955 -7.851 1.590 1.00 0.00 N ATOM 0 H LYS A 77 160.252 -4.573 4.483 1.00 0.00 H new ATOM 0 HA LYS A 77 159.377 -5.862 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.646 -8.076 4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 77 159.303 -8.334 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.805 -6.935 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.722 -8.654 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.494 -8.349 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.823 -6.739 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.908 -6.044 1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.291 -6.342 2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.884 -7.403 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 164.023 -8.579 2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 163.653 -8.291 0.697 1.00 0.00 H new ATOM 1102 N LYS A 78 157.060 -5.255 4.456 1.00 0.00 N ATOM 1103 CA LYS A 78 155.619 -5.213 4.681 1.00 0.00 C ATOM 1104 C LYS A 78 155.047 -3.853 4.293 1.00 0.00 C ATOM 1105 O LYS A 78 154.151 -3.333 4.959 1.00 0.00 O ATOM 1106 CB LYS A 78 155.301 -5.516 6.146 1.00 0.00 C ATOM 1107 CG LYS A 78 155.852 -6.848 6.626 1.00 0.00 C ATOM 1108 CD LYS A 78 155.565 -7.071 8.102 1.00 0.00 C ATOM 1109 CE LYS A 78 154.387 -8.009 8.306 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.519 -7.573 9.435 1.00 0.00 N ATOM 0 H LYS A 78 157.536 -4.365 4.603 1.00 0.00 H new ATOM 0 HA LYS A 78 155.156 -5.974 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.706 -4.719 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 78 154.220 -5.509 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.412 -7.656 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.928 -6.881 6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 78 156.449 -7.485 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 78 155.357 -6.115 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.797 -8.055 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.755 -9.017 8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.683 -8.189 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 154.052 -7.635 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 153.216 -6.590 9.280 1.00 0.00 H new ATOM 1124 N ALA A 79 155.570 -3.282 3.214 1.00 0.00 N ATOM 1125 CA ALA A 79 155.112 -1.982 2.739 1.00 0.00 C ATOM 1126 C ALA A 79 154.892 -1.996 1.230 1.00 0.00 C ATOM 1127 O ALA A 79 155.848 -1.961 0.454 1.00 0.00 O ATOM 1128 CB ALA A 79 156.109 -0.899 3.119 1.00 0.00 C ATOM 0 H ALA A 79 156.312 -3.699 2.652 1.00 0.00 H new ATOM 0 HA ALA A 79 154.157 -1.764 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.753 0.066 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 79 156.213 -0.864 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 79 157.077 -1.121 2.669 1.00 0.00 H new ATOM 1134 N LEU A 80 153.630 -2.047 0.820 1.00 0.00 N ATOM 1135 CA LEU A 80 153.285 -2.065 -0.597 1.00 0.00 C ATOM 1136 C LEU A 80 152.294 -0.953 -0.929 1.00 0.00 C ATOM 1137 O LEU A 80 151.145 -0.979 -0.489 1.00 0.00 O ATOM 1138 CB LEU A 80 152.694 -3.423 -0.982 1.00 0.00 C ATOM 1139 CG LEU A 80 152.225 -3.537 -2.434 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.416 -3.646 -3.372 1.00 0.00 C ATOM 1141 CD2 LEU A 80 151.301 -4.734 -2.601 1.00 0.00 C ATOM 0 H LEU A 80 152.828 -2.077 1.449 1.00 0.00 H new ATOM 0 HA LEU A 80 154.197 -1.898 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 80 153.442 -4.194 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.850 -3.634 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 80 151.669 -2.635 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 80 153.063 -3.726 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 80 154.041 -2.759 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.999 -4.531 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.976 -4.801 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.833 -5.645 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 80 150.431 -4.615 -1.956 1.00 0.00 H new ATOM 1153 N PHE A 81 152.748 0.022 -1.710 1.00 0.00 N ATOM 1154 CA PHE A 81 151.901 1.143 -2.102 1.00 0.00 C ATOM 1155 C PHE A 81 151.048 0.782 -3.314 1.00 0.00 C ATOM 1156 O PHE A 81 151.438 -0.049 -4.134 1.00 0.00 O ATOM 1157 CB PHE A 81 152.759 2.370 -2.415 1.00 0.00 C ATOM 1158 CG PHE A 81 153.604 2.823 -1.259 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.786 2.169 -0.951 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.216 3.902 -0.480 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.566 2.583 0.112 1.00 0.00 C ATOM 1162 CE2 PHE A 81 153.993 4.320 0.584 1.00 0.00 C ATOM 1163 CZ PHE A 81 155.169 3.660 0.881 1.00 0.00 C ATOM 0 H PHE A 81 153.696 0.059 -2.084 1.00 0.00 H new ATOM 0 HA PHE A 81 151.237 1.374 -1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.407 2.143 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.109 3.189 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.101 1.326 -1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.297 4.422 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.485 2.065 0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.680 5.163 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.777 3.985 1.712 1.00 0.00 H new ATOM 1173 N VAL A 82 149.883 1.411 -3.419 1.00 0.00 N ATOM 1174 CA VAL A 82 148.974 1.155 -4.530 1.00 0.00 C ATOM 1175 C VAL A 82 148.048 2.342 -4.768 1.00 0.00 C ATOM 1176 O VAL A 82 147.948 3.242 -3.933 1.00 0.00 O ATOM 1177 CB VAL A 82 148.123 -0.103 -4.283 1.00 0.00 C ATOM 1178 CG1 VAL A 82 148.984 -1.355 -4.359 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.417 -0.014 -2.939 1.00 0.00 C ATOM 0 H VAL A 82 149.546 2.102 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 82 149.593 0.997 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 82 147.364 -0.165 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.364 -2.234 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.438 -1.425 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 82 149.767 -1.305 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 82 146.820 -0.912 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.158 0.073 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 82 146.767 0.861 -2.927 1.00 0.00 H new ATOM 1189 N LYS A 83 147.371 2.339 -5.912 1.00 0.00 N ATOM 1190 CA LYS A 83 146.452 3.416 -6.259 1.00 0.00 C ATOM 1191 C LYS A 83 145.229 3.405 -5.347 1.00 0.00 C ATOM 1192 O LYS A 83 144.472 2.436 -5.320 1.00 0.00 O ATOM 1193 CB LYS A 83 146.014 3.290 -7.719 1.00 0.00 C ATOM 1194 CG LYS A 83 147.174 3.228 -8.700 1.00 0.00 C ATOM 1195 CD LYS A 83 146.698 2.909 -10.108 1.00 0.00 C ATOM 1196 CE LYS A 83 147.699 3.373 -11.153 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.688 2.311 -11.484 1.00 0.00 N ATOM 0 H LYS A 83 147.442 1.603 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 83 146.975 4.363 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.406 2.392 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.379 4.139 -7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.702 4.181 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 83 147.886 2.469 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 83 146.540 1.835 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 83 145.736 3.390 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.168 3.670 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.223 4.256 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 149.353 2.667 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 149.213 2.046 -10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 148.191 1.478 -11.857 1.00 0.00 H new ATOM 1211 N LEU A 84 145.046 4.491 -4.604 1.00 0.00 N ATOM 1212 CA LEU A 84 143.917 4.611 -3.690 1.00 0.00 C ATOM 1213 C LEU A 84 142.593 4.485 -4.439 1.00 0.00 C ATOM 1214 O LEU A 84 141.616 3.960 -3.906 1.00 0.00 O ATOM 1215 CB LEU A 84 143.976 5.952 -2.954 1.00 0.00 C ATOM 1216 CG LEU A 84 142.795 6.237 -2.026 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.027 5.612 -0.659 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.568 7.736 -1.898 1.00 0.00 C ATOM 0 H LEU A 84 145.666 5.301 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 84 143.979 3.800 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 84 144.895 5.987 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.038 6.751 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 84 141.900 5.790 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.176 5.825 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.139 4.533 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.932 6.029 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.724 7.921 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.462 8.206 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.356 8.157 -2.881 1.00 0.00 H new ATOM 1230 N LYS A 85 142.571 4.970 -5.676 1.00 0.00 N ATOM 1231 CA LYS A 85 141.367 4.911 -6.496 1.00 0.00 C ATOM 1232 C LYS A 85 140.977 3.466 -6.792 1.00 0.00 C ATOM 1233 O LYS A 85 139.805 3.166 -7.025 1.00 0.00 O ATOM 1234 CB LYS A 85 141.580 5.672 -7.806 1.00 0.00 C ATOM 1235 CG LYS A 85 142.757 5.163 -8.623 1.00 0.00 C ATOM 1236 CD LYS A 85 142.949 5.979 -9.891 1.00 0.00 C ATOM 1237 CE LYS A 85 144.423 6.163 -10.218 1.00 0.00 C ATOM 1238 NZ LYS A 85 144.666 6.202 -11.685 1.00 0.00 N ATOM 0 H LYS A 85 143.372 5.407 -6.132 1.00 0.00 H new ATOM 0 HA LYS A 85 140.556 5.379 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 85 140.674 5.603 -8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 85 141.734 6.728 -7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.665 5.205 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.595 4.117 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 85 142.450 5.483 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 85 142.477 6.954 -9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 85 144.782 7.088 -9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 85 144.997 5.348 -9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 145.682 6.329 -11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.347 5.310 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 144.139 6.995 -12.103 1.00 0.00 H new ATOM 1252 N SER A 86 141.963 2.574 -6.781 1.00 0.00 N ATOM 1253 CA SER A 86 141.717 1.161 -7.048 1.00 0.00 C ATOM 1254 C SER A 86 141.727 0.352 -5.755 1.00 0.00 C ATOM 1255 O SER A 86 142.103 -0.820 -5.748 1.00 0.00 O ATOM 1256 CB SER A 86 142.770 0.614 -8.013 1.00 0.00 C ATOM 1257 OG SER A 86 142.492 1.004 -9.347 1.00 0.00 O ATOM 0 H SER A 86 142.938 2.804 -6.590 1.00 0.00 H new ATOM 0 HA SER A 86 140.731 1.069 -7.504 1.00 0.00 H new ATOM 0 HB2 SER A 86 143.756 0.976 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 86 142.798 -0.474 -7.947 1.00 0.00 H new ATOM 0 HG SER A 86 143.181 0.643 -9.944 1.00 0.00 H new ATOM 1263 N CYS A 87 141.314 0.986 -4.662 1.00 0.00 N ATOM 1264 CA CYS A 87 141.274 0.323 -3.363 1.00 0.00 C ATOM 1265 C CYS A 87 139.839 0.184 -2.866 1.00 0.00 C ATOM 1266 O CYS A 87 139.033 1.103 -3.005 1.00 0.00 O ATOM 1267 CB CYS A 87 142.106 1.104 -2.343 1.00 0.00 C ATOM 1268 SG CYS A 87 143.879 0.758 -2.417 1.00 0.00 S ATOM 0 H CYS A 87 141.003 1.957 -4.650 1.00 0.00 H new ATOM 0 HA CYS A 87 141.697 -0.675 -3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.948 2.171 -2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.743 0.874 -1.341 1.00 0.00 H new ATOM 0 HG CYS A 87 144.392 1.342 -3.459 1.00 0.00 H new ATOM 1274 N ARG A 88 139.529 -0.971 -2.288 1.00 0.00 N ATOM 1275 CA ARG A 88 138.189 -1.230 -1.771 1.00 0.00 C ATOM 1276 C ARG A 88 138.203 -1.338 -0.247 1.00 0.00 C ATOM 1277 O ARG A 88 139.164 -1.838 0.338 1.00 0.00 O ATOM 1278 CB ARG A 88 137.626 -2.516 -2.378 1.00 0.00 C ATOM 1279 CG ARG A 88 136.880 -2.295 -3.684 1.00 0.00 C ATOM 1280 CD ARG A 88 135.572 -3.069 -3.717 1.00 0.00 C ATOM 1281 NE ARG A 88 134.521 -2.338 -4.422 1.00 0.00 N ATOM 1282 CZ ARG A 88 134.443 -2.247 -5.748 1.00 0.00 C ATOM 1283 NH1 ARG A 88 135.349 -2.838 -6.516 1.00 0.00 N ATOM 1284 NH2 ARG A 88 133.454 -1.563 -6.307 1.00 0.00 N ATOM 0 H ARG A 88 140.185 -1.742 -2.165 1.00 0.00 H new ATOM 0 HA ARG A 88 137.551 -0.392 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.444 -3.215 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 88 136.953 -2.983 -1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 88 136.678 -1.232 -3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.508 -2.604 -4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.732 -4.032 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.248 -3.277 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 88 133.805 -1.870 -3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 88 136.111 -3.366 -6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 88 135.283 -2.764 -7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 88 132.754 -1.107 -5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 88 133.393 -1.492 -7.323 1.00 0.00 H new ATOM 1298 N PRO A 89 137.132 -0.869 0.417 1.00 0.00 N ATOM 1299 CA PRO A 89 137.029 -0.917 1.879 1.00 0.00 C ATOM 1300 C PRO A 89 137.248 -2.322 2.429 1.00 0.00 C ATOM 1301 O PRO A 89 136.580 -3.271 2.017 1.00 0.00 O ATOM 1302 CB PRO A 89 135.596 -0.455 2.154 1.00 0.00 C ATOM 1303 CG PRO A 89 135.224 0.361 0.965 1.00 0.00 C ATOM 1304 CD PRO A 89 135.941 -0.257 -0.201 1.00 0.00 C ATOM 0 HA PRO A 89 137.789 -0.300 2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.924 -1.304 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.539 0.132 3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.145 0.353 0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.520 1.402 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.323 -1.000 -0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.214 0.490 -0.947 1.00 0.00 H new ATOM 1312 N ASP A 90 138.186 -2.448 3.360 1.00 0.00 N ATOM 1313 CA ASP A 90 138.492 -3.738 3.967 1.00 0.00 C ATOM 1314 C ASP A 90 137.860 -3.845 5.352 1.00 0.00 C ATOM 1315 O ASP A 90 138.002 -2.945 6.180 1.00 0.00 O ATOM 1316 CB ASP A 90 140.007 -3.930 4.071 1.00 0.00 C ATOM 1317 CG ASP A 90 140.412 -5.387 3.980 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.635 -6.185 3.415 1.00 0.00 O ATOM 1319 OD2 ASP A 90 141.507 -5.731 4.473 1.00 0.00 O ATOM 0 H ASP A 90 138.748 -1.673 3.711 1.00 0.00 H new ATOM 0 HA ASP A 90 138.077 -4.521 3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.497 -3.369 3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 90 140.359 -3.516 5.016 1.00 0.00 H new ATOM 1324 N SER A 91 137.162 -4.947 5.597 1.00 0.00 N ATOM 1325 CA SER A 91 136.510 -5.164 6.883 1.00 0.00 C ATOM 1326 C SER A 91 137.456 -5.844 7.868 1.00 0.00 C ATOM 1327 O SER A 91 137.984 -5.200 8.773 1.00 0.00 O ATOM 1328 CB SER A 91 135.238 -5.998 6.703 1.00 0.00 C ATOM 1329 OG SER A 91 134.270 -5.672 7.685 1.00 0.00 O ATOM 0 H SER A 91 137.033 -5.703 4.924 1.00 0.00 H new ATOM 0 HA SER A 91 136.236 -4.191 7.292 1.00 0.00 H new ATOM 0 HB2 SER A 91 134.824 -5.826 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 91 135.483 -7.058 6.767 1.00 0.00 H new ATOM 0 HG SER A 91 133.467 -6.217 7.547 1.00 0.00 H new ATOM 1335 N ARG A 92 137.670 -7.146 7.683 1.00 0.00 N ATOM 1336 CA ARG A 92 138.557 -7.915 8.554 1.00 0.00 C ATOM 1337 C ARG A 92 138.189 -7.730 10.027 1.00 0.00 C ATOM 1338 O ARG A 92 137.454 -8.536 10.597 1.00 0.00 O ATOM 1339 CB ARG A 92 140.015 -7.514 8.318 1.00 0.00 C ATOM 1340 CG ARG A 92 140.706 -8.337 7.244 1.00 0.00 C ATOM 1341 CD ARG A 92 140.193 -7.986 5.858 1.00 0.00 C ATOM 1342 NE ARG A 92 139.038 -8.796 5.479 1.00 0.00 N ATOM 1343 CZ ARG A 92 139.081 -10.115 5.305 1.00 0.00 C ATOM 1344 NH1 ARG A 92 140.220 -10.777 5.472 1.00 0.00 N ATOM 1345 NH2 ARG A 92 137.983 -10.774 4.961 1.00 0.00 N ATOM 0 H ARG A 92 137.240 -7.691 6.936 1.00 0.00 H new ATOM 0 HA ARG A 92 138.435 -8.970 8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 92 140.053 -6.461 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 92 140.567 -7.615 9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 92 141.782 -8.166 7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 92 140.543 -9.398 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 92 139.921 -6.931 5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 92 140.991 -8.129 5.129 1.00 0.00 H new ATOM 0 HE ARG A 92 138.145 -8.323 5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 92 141.068 -10.275 5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 92 140.247 -11.788 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 92 137.106 -10.270 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 92 138.016 -11.785 4.828 1.00 0.00 H new