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 62 THR OG1 : rot -149:sc= 0.317 USER MOD Set 1.2: A 65 THR OG1 : rot 22:sc= 0.462 USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= -0.91 F(o=-3.7,f=-1.8) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.853 K(o=-1.8,f=-3.1) USER MOD Single : A 22 SER OG : rot 180:sc= -0.113 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 165:sc= -0.741 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -160:sc= 0 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 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -105:sc= 0.317 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0.388 (180deg=0.379) 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 64:sc= 0.215 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 199 N LEU A 18 138.175 5.015 2.519 1.00 0.00 N ATOM 200 CA LEU A 18 139.539 4.503 2.434 1.00 0.00 C ATOM 201 C LEU A 18 140.547 5.574 2.836 1.00 0.00 C ATOM 202 O LEU A 18 140.918 6.426 2.029 1.00 0.00 O ATOM 203 CB LEU A 18 139.833 4.014 1.015 1.00 0.00 C ATOM 204 CG LEU A 18 138.730 3.165 0.380 1.00 0.00 C ATOM 205 CD1 LEU A 18 138.853 3.178 -1.136 1.00 0.00 C ATOM 206 CD2 LEU A 18 138.786 1.740 0.909 1.00 0.00 C ATOM 0 HA LEU A 18 139.632 3.666 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.015 4.880 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.754 3.432 1.031 1.00 0.00 H new ATOM 0 HG LEU A 18 137.765 3.595 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.060 2.569 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 18 138.765 4.202 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 18 139.822 2.773 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 18 137.995 1.149 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 18 139.754 1.301 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.649 1.748 1.990 1.00 0.00 H new ATOM 218 N GLU A 19 140.988 5.523 4.088 1.00 0.00 N ATOM 219 CA GLU A 19 141.956 6.488 4.598 1.00 0.00 C ATOM 220 C GLU A 19 143.006 5.799 5.464 1.00 0.00 C ATOM 221 O GLU A 19 142.962 4.585 5.662 1.00 0.00 O ATOM 222 CB GLU A 19 141.246 7.576 5.405 1.00 0.00 C ATOM 223 CG GLU A 19 140.290 7.030 6.453 1.00 0.00 C ATOM 224 CD GLU A 19 140.046 8.008 7.586 1.00 0.00 C ATOM 225 OE1 GLU A 19 140.261 9.220 7.380 1.00 0.00 O ATOM 226 OE2 GLU A 19 139.639 7.561 8.679 1.00 0.00 O ATOM 0 H GLU A 19 140.691 4.824 4.769 1.00 0.00 H new ATOM 0 HA GLU A 19 142.458 6.947 3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 19 141.994 8.198 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.693 8.221 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.340 6.784 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.693 6.102 6.859 1.00 0.00 H new ATOM 233 N VAL A 20 143.949 6.582 5.978 1.00 0.00 N ATOM 234 CA VAL A 20 145.009 6.047 6.822 1.00 0.00 C ATOM 235 C VAL A 20 144.435 5.407 8.082 1.00 0.00 C ATOM 236 O VAL A 20 143.542 5.963 8.722 1.00 0.00 O ATOM 237 CB VAL A 20 146.013 7.144 7.229 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.191 6.540 7.979 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.489 7.914 6.004 1.00 0.00 C ATOM 0 H VAL A 20 144.000 7.589 5.824 1.00 0.00 H new ATOM 0 HA VAL A 20 145.529 5.290 6.235 1.00 0.00 H new ATOM 0 HB VAL A 20 145.508 7.843 7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.888 7.330 8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.832 6.039 8.878 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.698 5.818 7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.197 8.684 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.976 7.229 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.635 8.381 5.513 1.00 0.00 H new ATOM 249 N GLY A 21 144.954 4.234 8.432 1.00 0.00 N ATOM 250 CA GLY A 21 144.482 3.538 9.615 1.00 0.00 C ATOM 251 C GLY A 21 143.450 2.476 9.287 1.00 0.00 C ATOM 252 O GLY A 21 143.375 1.447 9.959 1.00 0.00 O ATOM 0 H GLY A 21 145.692 3.754 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 21 145.328 3.074 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 21 144.050 4.259 10.309 1.00 0.00 H new ATOM 256 N SER A 22 142.655 2.725 8.253 1.00 0.00 N ATOM 257 CA SER A 22 141.623 1.781 7.837 1.00 0.00 C ATOM 258 C SER A 22 142.196 0.728 6.895 1.00 0.00 C ATOM 259 O SER A 22 143.138 0.996 6.147 1.00 0.00 O ATOM 260 CB SER A 22 140.471 2.521 7.154 1.00 0.00 C ATOM 261 OG SER A 22 140.308 3.821 7.694 1.00 0.00 O ATOM 0 H SER A 22 142.705 3.572 7.687 1.00 0.00 H new ATOM 0 HA SER A 22 141.246 1.278 8.727 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.663 2.590 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.548 1.955 7.276 1.00 0.00 H new ATOM 0 HG SER A 22 139.567 4.273 7.240 1.00 0.00 H new ATOM 267 N LEU A 23 141.624 -0.470 6.936 1.00 0.00 N ATOM 268 CA LEU A 23 142.078 -1.564 6.086 1.00 0.00 C ATOM 269 C LEU A 23 141.426 -1.492 4.709 1.00 0.00 C ATOM 270 O LEU A 23 140.229 -1.231 4.590 1.00 0.00 O ATOM 271 CB LEU A 23 141.763 -2.911 6.740 1.00 0.00 C ATOM 272 CG LEU A 23 142.577 -3.225 7.997 1.00 0.00 C ATOM 273 CD1 LEU A 23 141.779 -4.108 8.943 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.893 -3.892 7.624 1.00 0.00 C ATOM 0 H LEU A 23 140.845 -0.708 7.549 1.00 0.00 H new ATOM 0 HA LEU A 23 143.157 -1.470 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.704 -2.935 6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.932 -3.701 6.009 1.00 0.00 H new ATOM 0 HG LEU A 23 142.798 -2.288 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 23 142.374 -4.321 9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 23 140.863 -3.594 9.234 1.00 0.00 H new ATOM 0 HD13 LEU A 23 141.527 -5.043 8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 23 144.460 -4.109 8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.692 -4.821 7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 23 144.471 -3.224 6.985 1.00 0.00 H new ATOM 286 N ALA A 24 142.222 -1.725 3.670 1.00 0.00 N ATOM 287 CA ALA A 24 141.724 -1.686 2.301 1.00 0.00 C ATOM 288 C ALA A 24 142.324 -2.812 1.466 1.00 0.00 C ATOM 289 O ALA A 24 143.420 -3.294 1.751 1.00 0.00 O ATOM 290 CB ALA A 24 142.028 -0.337 1.667 1.00 0.00 C ATOM 0 H ALA A 24 143.215 -1.943 3.751 1.00 0.00 H new ATOM 0 HA ALA A 24 140.643 -1.826 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.650 -0.322 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.546 0.453 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.106 -0.174 1.658 1.00 0.00 H new ATOM 296 N GLU A 25 141.598 -3.227 0.433 1.00 0.00 N ATOM 297 CA GLU A 25 142.059 -4.299 -0.445 1.00 0.00 C ATOM 298 C GLU A 25 142.225 -3.797 -1.876 1.00 0.00 C ATOM 299 O GLU A 25 141.447 -2.968 -2.348 1.00 0.00 O ATOM 300 CB GLU A 25 141.075 -5.470 -0.414 1.00 0.00 C ATOM 301 CG GLU A 25 141.514 -6.654 -1.260 1.00 0.00 C ATOM 302 CD GLU A 25 140.767 -6.737 -2.578 1.00 0.00 C ATOM 303 OE1 GLU A 25 140.490 -5.674 -3.170 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.461 -7.865 -3.017 1.00 0.00 O ATOM 0 H GLU A 25 140.689 -2.838 0.183 1.00 0.00 H new ATOM 0 HA GLU A 25 143.030 -4.639 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.946 -5.799 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.102 -5.125 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.583 -6.579 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.357 -7.575 -0.699 1.00 0.00 H new ATOM 311 N VAL A 26 143.244 -4.305 -2.560 1.00 0.00 N ATOM 312 CA VAL A 26 143.513 -3.909 -3.937 1.00 0.00 C ATOM 313 C VAL A 26 142.949 -4.926 -4.922 1.00 0.00 C ATOM 314 O VAL A 26 142.719 -6.084 -4.571 1.00 0.00 O ATOM 315 CB VAL A 26 145.024 -3.751 -4.191 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.275 -3.136 -5.559 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.665 -2.911 -3.097 1.00 0.00 C ATOM 0 H VAL A 26 143.897 -4.992 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 26 143.023 -2.948 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 26 145.481 -4.740 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.348 -3.032 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 26 144.853 -3.780 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 26 144.804 -2.154 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.732 -2.811 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.205 -1.923 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.518 -3.397 -2.132 1.00 0.00 H new ATOM 327 N LYS A 27 142.727 -4.487 -6.157 1.00 0.00 N ATOM 328 CA LYS A 27 142.188 -5.360 -7.194 1.00 0.00 C ATOM 329 C LYS A 27 143.310 -5.966 -8.031 1.00 0.00 C ATOM 330 O LYS A 27 143.259 -5.951 -9.262 1.00 0.00 O ATOM 331 CB LYS A 27 141.223 -4.583 -8.092 1.00 0.00 C ATOM 332 CG LYS A 27 139.924 -4.202 -7.403 1.00 0.00 C ATOM 333 CD LYS A 27 139.048 -5.419 -7.154 1.00 0.00 C ATOM 334 CE LYS A 27 137.646 -5.018 -6.724 1.00 0.00 C ATOM 335 NZ LYS A 27 137.102 -5.932 -5.682 1.00 0.00 N ATOM 0 H LYS A 27 142.912 -3.532 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 27 141.645 -6.171 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 27 141.717 -3.677 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 27 140.995 -5.184 -8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 27 140.144 -3.711 -6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 27 139.383 -3.482 -8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 27 138.993 -6.021 -8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 27 139.501 -6.043 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 27 137.662 -3.998 -6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 27 136.985 -5.022 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 136.145 -5.625 -5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 137.063 -6.901 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 137.718 -5.909 -4.844 1.00 0.00 H new ATOM 349 N GLU A 28 144.323 -6.501 -7.357 1.00 0.00 N ATOM 350 CA GLU A 28 145.457 -7.112 -8.038 1.00 0.00 C ATOM 351 C GLU A 28 145.269 -8.622 -8.160 1.00 0.00 C ATOM 352 O GLU A 28 144.303 -9.181 -7.640 1.00 0.00 O ATOM 353 CB GLU A 28 146.756 -6.806 -7.288 1.00 0.00 C ATOM 354 CG GLU A 28 147.863 -6.272 -8.182 1.00 0.00 C ATOM 355 CD GLU A 28 149.224 -6.837 -7.824 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.878 -6.281 -6.917 1.00 0.00 O ATOM 357 OE2 GLU A 28 149.635 -7.835 -8.452 1.00 0.00 O ATOM 0 H GLU A 28 144.381 -6.523 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 28 145.517 -6.689 -9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.550 -6.077 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.104 -7.714 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 28 147.635 -6.513 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 28 147.893 -5.185 -8.107 1.00 0.00 H new ATOM 364 N ASN A 29 146.199 -9.275 -8.850 1.00 0.00 N ATOM 365 CA ASN A 29 146.136 -10.719 -9.040 1.00 0.00 C ATOM 366 C ASN A 29 146.156 -11.446 -7.697 1.00 0.00 C ATOM 367 O ASN A 29 145.239 -12.204 -7.381 1.00 0.00 O ATOM 368 CB ASN A 29 147.306 -11.191 -9.907 1.00 0.00 C ATOM 369 CG ASN A 29 146.930 -11.306 -11.371 1.00 0.00 C ATOM 370 OD1 ASN A 29 146.786 -12.407 -11.903 1.00 0.00 O ATOM 371 ND2 ASN A 29 146.767 -10.165 -12.032 1.00 0.00 N ATOM 0 H ASN A 29 147.005 -8.827 -9.286 1.00 0.00 H new ATOM 0 HA ASN A 29 145.200 -10.954 -9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.137 -10.494 -9.802 1.00 0.00 H new ATOM 0 HB3 ASN A 29 147.654 -12.159 -9.547 1.00 0.00 H new ATOM 0 HD21 ASN A 29 146.513 -10.180 -13.020 1.00 0.00 H new ATOM 0 HD22 ASN A 29 146.896 -9.274 -11.552 1.00 0.00 H new ATOM 378 N PRO A 30 147.206 -11.226 -6.887 1.00 0.00 N ATOM 379 CA PRO A 30 147.337 -11.863 -5.575 1.00 0.00 C ATOM 380 C PRO A 30 146.420 -11.233 -4.529 1.00 0.00 C ATOM 381 O PRO A 30 146.641 -10.098 -4.105 1.00 0.00 O ATOM 382 CB PRO A 30 148.802 -11.621 -5.217 1.00 0.00 C ATOM 383 CG PRO A 30 149.156 -10.354 -5.917 1.00 0.00 C ATOM 384 CD PRO A 30 148.346 -10.336 -7.187 1.00 0.00 C ATOM 0 HA PRO A 30 147.055 -12.916 -5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 30 148.937 -11.529 -4.139 1.00 0.00 H new ATOM 0 HB3 PRO A 30 149.432 -12.446 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 30 148.926 -9.488 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.223 -10.315 -6.135 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.013 -9.328 -7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 30 148.925 -10.699 -8.036 1.00 0.00 H new ATOM 392 N PRO A 31 145.373 -11.959 -4.095 1.00 0.00 N ATOM 393 CA PRO A 31 144.428 -11.455 -3.094 1.00 0.00 C ATOM 394 C PRO A 31 145.065 -11.310 -1.717 1.00 0.00 C ATOM 395 O PRO A 31 144.943 -12.193 -0.869 1.00 0.00 O ATOM 396 CB PRO A 31 143.331 -12.523 -3.065 1.00 0.00 C ATOM 397 CG PRO A 31 143.999 -13.765 -3.541 1.00 0.00 C ATOM 398 CD PRO A 31 145.028 -13.322 -4.543 1.00 0.00 C ATOM 0 HA PRO A 31 144.064 -10.459 -3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 31 142.929 -12.650 -2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 31 142.496 -12.250 -3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 31 144.465 -14.300 -2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 31 143.279 -14.446 -3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 31 145.898 -13.978 -4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 31 144.629 -13.323 -5.557 1.00 0.00 H new ATOM 406 N PHE A 32 145.746 -10.189 -1.501 1.00 0.00 N ATOM 407 CA PHE A 32 146.404 -9.928 -0.226 1.00 0.00 C ATOM 408 C PHE A 32 145.573 -8.975 0.628 1.00 0.00 C ATOM 409 O PHE A 32 144.568 -8.432 0.172 1.00 0.00 O ATOM 410 CB PHE A 32 147.798 -9.342 -0.457 1.00 0.00 C ATOM 411 CG PHE A 32 147.825 -8.245 -1.484 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.160 -7.051 -1.259 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.516 -8.409 -2.674 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.184 -6.040 -2.201 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.543 -7.402 -3.620 1.00 0.00 C ATOM 416 CZ PHE A 32 147.875 -6.216 -3.383 1.00 0.00 C ATOM 0 H PHE A 32 145.856 -9.447 -2.192 1.00 0.00 H new ATOM 0 HA PHE A 32 146.501 -10.875 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.181 -8.955 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.471 -10.140 -0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.616 -6.908 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.039 -9.334 -2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 32 146.663 -5.113 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.086 -7.542 -4.543 1.00 0.00 H new ATOM 0 HZ PHE A 32 147.893 -5.428 -4.121 1.00 0.00 H new ATOM 426 N TYR A 33 146.003 -8.777 1.870 1.00 0.00 N ATOM 427 CA TYR A 33 145.297 -7.889 2.789 1.00 0.00 C ATOM 428 C TYR A 33 146.273 -6.965 3.508 1.00 0.00 C ATOM 429 O TYR A 33 147.259 -7.417 4.092 1.00 0.00 O ATOM 430 CB TYR A 33 144.502 -8.706 3.809 1.00 0.00 C ATOM 431 CG TYR A 33 143.206 -9.261 3.263 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.351 -8.466 2.509 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.838 -10.579 3.501 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.165 -8.970 2.008 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.655 -11.090 3.002 1.00 0.00 C ATOM 436 CZ TYR A 33 140.822 -10.282 2.257 1.00 0.00 C ATOM 437 OH TYR A 33 139.643 -10.787 1.759 1.00 0.00 O ATOM 0 H TYR A 33 146.835 -9.218 2.263 1.00 0.00 H new ATOM 0 HA TYR A 33 144.607 -7.277 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 33 145.120 -9.531 4.162 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.283 -8.079 4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.617 -7.438 2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.487 -11.215 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.511 -8.339 1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.384 -12.118 3.195 1.00 0.00 H new ATOM 0 HH TYR A 33 139.658 -11.766 1.811 1.00 0.00 H new ATOM 447 N GLY A 34 145.993 -5.666 3.463 1.00 0.00 N ATOM 448 CA GLY A 34 146.856 -4.698 4.115 1.00 0.00 C ATOM 449 C GLY A 34 146.086 -3.512 4.663 1.00 0.00 C ATOM 450 O GLY A 34 144.877 -3.403 4.464 1.00 0.00 O ATOM 0 H GLY A 34 145.184 -5.267 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.394 -5.185 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.603 -4.345 3.404 1.00 0.00 H new ATOM 454 N VAL A 35 146.789 -2.622 5.357 1.00 0.00 N ATOM 455 CA VAL A 35 146.165 -1.439 5.937 1.00 0.00 C ATOM 456 C VAL A 35 146.791 -0.162 5.382 1.00 0.00 C ATOM 457 O VAL A 35 147.999 -0.097 5.159 1.00 0.00 O ATOM 458 CB VAL A 35 146.287 -1.437 7.474 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.746 -1.405 7.899 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.523 -0.263 8.071 1.00 0.00 C ATOM 0 H VAL A 35 147.791 -2.698 5.531 1.00 0.00 H new ATOM 0 HA VAL A 35 145.110 -1.469 5.666 1.00 0.00 H new ATOM 0 HB VAL A 35 145.845 -2.359 7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.808 -1.404 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 35 148.258 -2.284 7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 35 148.219 -0.504 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.621 -0.279 9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.930 0.671 7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 35 144.470 -0.339 7.801 1.00 0.00 H new ATOM 470 N ILE A 36 145.958 0.852 5.164 1.00 0.00 N ATOM 471 CA ILE A 36 146.430 2.126 4.637 1.00 0.00 C ATOM 472 C ILE A 36 147.393 2.798 5.611 1.00 0.00 C ATOM 473 O ILE A 36 147.154 2.821 6.819 1.00 0.00 O ATOM 474 CB ILE A 36 145.259 3.085 4.344 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.203 2.391 3.480 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.765 4.346 3.658 1.00 0.00 C ATOM 477 CD1 ILE A 36 143.021 3.272 3.144 1.00 0.00 C ATOM 0 H ILE A 36 144.955 0.815 5.344 1.00 0.00 H new ATOM 0 HA ILE A 36 146.951 1.909 3.704 1.00 0.00 H new ATOM 0 HB ILE A 36 144.798 3.368 5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.668 2.053 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.847 1.502 4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.926 5.013 3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.482 4.850 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.249 4.080 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.314 2.714 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.531 3.589 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.365 4.149 2.595 1.00 0.00 H new ATOM 489 N ARG A 37 148.482 3.342 5.078 1.00 0.00 N ATOM 490 CA ARG A 37 149.482 4.013 5.901 1.00 0.00 C ATOM 491 C ARG A 37 149.654 5.467 5.474 1.00 0.00 C ATOM 492 O ARG A 37 149.380 6.387 6.245 1.00 0.00 O ATOM 493 CB ARG A 37 150.821 3.279 5.811 1.00 0.00 C ATOM 494 CG ARG A 37 150.720 1.790 6.099 1.00 0.00 C ATOM 495 CD ARG A 37 150.093 1.526 7.458 1.00 0.00 C ATOM 496 NE ARG A 37 150.689 2.353 8.506 1.00 0.00 N ATOM 497 CZ ARG A 37 150.129 2.558 9.696 1.00 0.00 C ATOM 498 NH1 ARG A 37 148.963 1.999 9.993 1.00 0.00 N ATOM 499 NH2 ARG A 37 150.737 3.323 10.591 1.00 0.00 N ATOM 0 H ARG A 37 148.695 3.331 4.080 1.00 0.00 H new ATOM 0 HA ARG A 37 149.136 3.998 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.237 3.420 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.521 3.730 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 37 150.125 1.308 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.714 1.343 6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 37 149.022 1.721 7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 37 150.213 0.473 7.714 1.00 0.00 H new ATOM 0 HE ARG A 37 151.586 2.799 8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 37 148.491 1.409 9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 37 148.538 2.159 10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 37 151.634 3.755 10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 37 150.308 3.480 11.503 1.00 0.00 H new ATOM 513 N TRP A 38 150.112 5.667 4.242 1.00 0.00 N ATOM 514 CA TRP A 38 150.321 7.011 3.714 1.00 0.00 C ATOM 515 C TRP A 38 149.551 7.213 2.412 1.00 0.00 C ATOM 516 O TRP A 38 149.601 6.374 1.511 1.00 0.00 O ATOM 517 CB TRP A 38 151.814 7.269 3.486 1.00 0.00 C ATOM 518 CG TRP A 38 152.095 8.525 2.714 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.313 9.772 3.226 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.181 8.655 1.290 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.531 10.669 2.207 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.455 10.006 1.009 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.055 7.758 0.225 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.603 10.481 -0.292 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.202 8.230 -1.066 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.474 9.581 -1.315 1.00 0.00 C ATOM 0 H TRP A 38 150.345 4.917 3.591 1.00 0.00 H new ATOM 0 HA TRP A 38 149.946 7.723 4.449 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.316 7.326 4.452 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.244 6.421 2.953 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.314 10.018 4.278 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.719 11.665 2.323 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.846 6.714 0.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.812 11.523 -0.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.106 7.546 -1.896 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.584 9.919 -2.335 1.00 0.00 H new ATOM 537 N ILE A 39 148.850 8.337 2.318 1.00 0.00 N ATOM 538 CA ILE A 39 148.078 8.664 1.126 1.00 0.00 C ATOM 539 C ILE A 39 148.492 10.024 0.575 1.00 0.00 C ATOM 540 O ILE A 39 148.159 11.062 1.146 1.00 0.00 O ATOM 541 CB ILE A 39 146.566 8.679 1.420 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.151 7.396 2.143 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.777 8.844 0.129 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.691 7.371 2.539 1.00 0.00 C ATOM 0 H ILE A 39 148.801 9.039 3.056 1.00 0.00 H new ATOM 0 HA ILE A 39 148.284 7.890 0.386 1.00 0.00 H new ATOM 0 HB ILE A 39 146.346 9.527 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.359 6.542 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.764 7.278 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.710 8.853 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.055 9.783 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.000 8.015 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.468 6.433 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.481 8.205 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.071 7.457 1.647 1.00 0.00 H new ATOM 556 N GLY A 40 149.226 10.012 -0.532 1.00 0.00 N ATOM 557 CA GLY A 40 149.678 11.253 -1.131 1.00 0.00 C ATOM 558 C GLY A 40 150.185 11.072 -2.546 1.00 0.00 C ATOM 559 O GLY A 40 150.020 10.007 -3.142 1.00 0.00 O ATOM 0 H GLY A 40 149.515 9.167 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 40 148.857 11.970 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.472 11.679 -0.517 1.00 0.00 H new ATOM 563 N GLN A 41 150.799 12.118 -3.087 1.00 0.00 N ATOM 564 CA GLN A 41 151.332 12.082 -4.441 1.00 0.00 C ATOM 565 C GLN A 41 152.794 12.528 -4.460 1.00 0.00 C ATOM 566 O GLN A 41 153.100 13.680 -4.154 1.00 0.00 O ATOM 567 CB GLN A 41 150.498 12.981 -5.353 1.00 0.00 C ATOM 568 CG GLN A 41 149.001 12.756 -5.223 1.00 0.00 C ATOM 569 CD GLN A 41 148.213 14.050 -5.269 1.00 0.00 C ATOM 570 OE1 GLN A 41 147.549 14.296 -6.391 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.200 14.818 -4.307 1.00 0.00 N flip ATOM 0 H GLN A 41 150.940 13.005 -2.604 1.00 0.00 H new ATOM 0 HA GLN A 41 151.282 11.056 -4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 41 150.722 14.023 -5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 41 150.794 12.810 -6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.664 12.101 -6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.794 12.242 -4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.726 14.588 -3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.663 15.684 -4.353 1.00 0.00 H new ATOM 580 N PRO A 42 153.720 11.620 -4.817 1.00 0.00 N ATOM 581 CA PRO A 42 155.153 11.933 -4.868 1.00 0.00 C ATOM 582 C PRO A 42 155.457 13.100 -5.803 1.00 0.00 C ATOM 583 O PRO A 42 154.658 13.428 -6.681 1.00 0.00 O ATOM 584 CB PRO A 42 155.789 10.645 -5.399 1.00 0.00 C ATOM 585 CG PRO A 42 154.802 9.575 -5.083 1.00 0.00 C ATOM 586 CD PRO A 42 153.453 10.221 -5.197 1.00 0.00 C ATOM 0 HA PRO A 42 155.534 12.238 -3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 42 155.974 10.708 -6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.749 10.451 -4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 42 154.896 8.739 -5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 42 154.963 9.178 -4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.055 10.147 -6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.725 9.755 -4.533 1.00 0.00 H new ATOM 594 N PRO A 43 156.621 13.746 -5.625 1.00 0.00 N ATOM 595 CA PRO A 43 157.028 14.881 -6.457 1.00 0.00 C ATOM 596 C PRO A 43 157.418 14.454 -7.866 1.00 0.00 C ATOM 597 O PRO A 43 158.590 14.200 -8.146 1.00 0.00 O ATOM 598 CB PRO A 43 158.241 15.445 -5.719 1.00 0.00 C ATOM 599 CG PRO A 43 158.803 14.285 -4.973 1.00 0.00 C ATOM 600 CD PRO A 43 157.630 13.420 -4.600 1.00 0.00 C ATOM 0 HA PRO A 43 156.219 15.600 -6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 43 158.971 15.859 -6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 43 157.954 16.250 -5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.514 13.733 -5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.341 14.617 -4.085 1.00 0.00 H new ATOM 0 HD2 PRO A 43 157.891 12.362 -4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.269 13.644 -3.596 1.00 0.00 H new ATOM 608 N GLY A 44 156.432 14.379 -8.752 1.00 0.00 N ATOM 609 CA GLY A 44 156.696 13.984 -10.122 1.00 0.00 C ATOM 610 C GLY A 44 155.463 13.450 -10.820 1.00 0.00 C ATOM 611 O GLY A 44 155.131 13.883 -11.924 1.00 0.00 O ATOM 0 H GLY A 44 155.454 14.585 -8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.081 14.840 -10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 44 157.475 13.221 -10.133 1.00 0.00 H new ATOM 615 N LEU A 45 154.782 12.507 -10.178 1.00 0.00 N ATOM 616 CA LEU A 45 153.577 11.916 -10.749 1.00 0.00 C ATOM 617 C LEU A 45 152.383 12.121 -9.826 1.00 0.00 C ATOM 618 O LEU A 45 152.330 11.557 -8.733 1.00 0.00 O ATOM 619 CB LEU A 45 153.789 10.422 -11.006 1.00 0.00 C ATOM 620 CG LEU A 45 154.407 9.647 -9.841 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.115 8.159 -9.974 1.00 0.00 C ATOM 622 CD2 LEU A 45 155.907 9.898 -9.771 1.00 0.00 C ATOM 0 H LEU A 45 155.043 12.136 -9.264 1.00 0.00 H new ATOM 0 HA LEU A 45 153.371 12.414 -11.696 1.00 0.00 H new ATOM 0 HB2 LEU A 45 152.828 9.971 -11.253 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.430 10.306 -11.880 1.00 0.00 H new ATOM 0 HG LEU A 45 153.957 10.001 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.563 7.624 -9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.037 7.998 -9.973 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.536 7.788 -10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.331 9.339 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.374 9.572 -10.700 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.091 10.962 -9.626 1.00 0.00 H new ATOM 634 N ASN A 46 151.424 12.927 -10.269 1.00 0.00 N ATOM 635 CA ASN A 46 150.235 13.193 -9.470 1.00 0.00 C ATOM 636 C ASN A 46 149.317 11.976 -9.459 1.00 0.00 C ATOM 637 O ASN A 46 148.674 11.660 -10.460 1.00 0.00 O ATOM 638 CB ASN A 46 149.488 14.408 -10.023 1.00 0.00 C ATOM 639 CG ASN A 46 148.414 14.909 -9.078 1.00 0.00 C ATOM 640 OD1 ASN A 46 147.337 14.320 -8.976 1.00 0.00 O ATOM 641 ND2 ASN A 46 148.701 16.002 -8.381 1.00 0.00 N ATOM 0 H ASN A 46 151.447 13.404 -11.170 1.00 0.00 H new ATOM 0 HA ASN A 46 150.546 13.405 -8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.200 15.210 -10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.033 14.147 -10.979 1.00 0.00 H new ATOM 0 HD21 ASN A 46 148.016 16.386 -7.730 1.00 0.00 H new ATOM 0 HD22 ASN A 46 149.606 16.458 -8.497 1.00 0.00 H new ATOM 648 N GLU A 47 149.262 11.298 -8.318 1.00 0.00 N ATOM 649 CA GLU A 47 148.424 10.115 -8.169 1.00 0.00 C ATOM 650 C GLU A 47 148.293 9.726 -6.701 1.00 0.00 C ATOM 651 O GLU A 47 149.290 9.450 -6.033 1.00 0.00 O ATOM 652 CB GLU A 47 149.005 8.945 -8.967 1.00 0.00 C ATOM 653 CG GLU A 47 150.523 8.861 -8.914 1.00 0.00 C ATOM 654 CD GLU A 47 151.092 7.924 -9.962 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.164 8.328 -11.142 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.464 6.787 -9.603 1.00 0.00 O ATOM 0 H GLU A 47 149.789 11.548 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 47 147.433 10.352 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.585 8.014 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 47 148.691 9.035 -10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 47 150.943 9.857 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 47 150.830 8.523 -7.924 1.00 0.00 H new ATOM 663 N VAL A 48 147.064 9.696 -6.203 1.00 0.00 N ATOM 664 CA VAL A 48 146.817 9.330 -4.815 1.00 0.00 C ATOM 665 C VAL A 48 147.192 7.874 -4.570 1.00 0.00 C ATOM 666 O VAL A 48 146.430 6.963 -4.895 1.00 0.00 O ATOM 667 CB VAL A 48 145.342 9.544 -4.426 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.152 9.357 -2.928 1.00 0.00 C ATOM 669 CG2 VAL A 48 144.869 10.922 -4.863 1.00 0.00 C ATOM 0 H VAL A 48 146.225 9.920 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 48 147.438 9.978 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 48 144.737 8.798 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.104 9.512 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.448 8.346 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.767 10.078 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 48 143.825 11.055 -4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.477 11.686 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 48 144.966 11.014 -5.945 1.00 0.00 H new ATOM 679 N LEU A 49 148.373 7.660 -4.000 1.00 0.00 N ATOM 680 CA LEU A 49 148.852 6.313 -3.717 1.00 0.00 C ATOM 681 C LEU A 49 148.792 6.021 -2.223 1.00 0.00 C ATOM 682 O LEU A 49 149.500 6.641 -1.431 1.00 0.00 O ATOM 683 CB LEU A 49 150.283 6.140 -4.227 1.00 0.00 C ATOM 684 CG LEU A 49 150.454 6.288 -5.740 1.00 0.00 C ATOM 685 CD1 LEU A 49 151.838 6.822 -6.071 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.214 4.956 -6.434 1.00 0.00 C ATOM 0 H LEU A 49 149.016 8.403 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 49 148.204 5.606 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 49 150.920 6.873 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.641 5.154 -3.931 1.00 0.00 H new ATOM 0 HG LEU A 49 149.716 7.003 -6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 49 151.941 6.921 -7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 49 151.973 7.797 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.594 6.132 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.339 5.078 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.929 4.220 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.201 4.613 -6.224 1.00 0.00 H new ATOM 698 N ALA A 50 147.943 5.072 -1.846 1.00 0.00 N ATOM 699 CA ALA A 50 147.794 4.702 -0.446 1.00 0.00 C ATOM 700 C ALA A 50 148.728 3.553 -0.081 1.00 0.00 C ATOM 701 O ALA A 50 148.587 2.440 -0.588 1.00 0.00 O ATOM 702 CB ALA A 50 146.350 4.325 -0.152 1.00 0.00 C ATOM 0 H ALA A 50 147.350 4.547 -2.489 1.00 0.00 H new ATOM 0 HA ALA A 50 148.065 5.564 0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.252 4.050 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.701 5.174 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.060 3.480 -0.776 1.00 0.00 H new ATOM 708 N GLY A 51 149.682 3.830 0.801 1.00 0.00 N ATOM 709 CA GLY A 51 150.625 2.809 1.219 1.00 0.00 C ATOM 710 C GLY A 51 149.976 1.735 2.070 1.00 0.00 C ATOM 711 O GLY A 51 149.657 1.965 3.236 1.00 0.00 O ATOM 0 H GLY A 51 149.819 4.743 1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.072 2.349 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.434 3.274 1.781 1.00 0.00 H new ATOM 715 N LEU A 52 149.779 0.557 1.485 1.00 0.00 N ATOM 716 CA LEU A 52 149.164 -0.556 2.198 1.00 0.00 C ATOM 717 C LEU A 52 150.224 -1.465 2.808 1.00 0.00 C ATOM 718 O LEU A 52 151.150 -1.902 2.125 1.00 0.00 O ATOM 719 CB LEU A 52 148.265 -1.358 1.256 1.00 0.00 C ATOM 720 CG LEU A 52 147.001 -0.634 0.792 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.360 -1.372 -0.373 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.016 -0.493 1.943 1.00 0.00 C ATOM 0 H LEU A 52 150.036 0.349 0.520 1.00 0.00 H new ATOM 0 HA LEU A 52 148.557 -0.146 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.846 -1.641 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.973 -2.281 1.756 1.00 0.00 H new ATOM 0 HG LEU A 52 147.280 0.364 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.462 -0.842 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.064 -1.422 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.094 -2.382 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.122 0.025 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.743 -1.482 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.477 0.079 2.748 1.00 0.00 H new ATOM 734 N GLU A 53 150.082 -1.748 4.100 1.00 0.00 N ATOM 735 CA GLU A 53 151.027 -2.607 4.802 1.00 0.00 C ATOM 736 C GLU A 53 150.520 -4.044 4.856 1.00 0.00 C ATOM 737 O GLU A 53 149.535 -4.340 5.532 1.00 0.00 O ATOM 738 CB GLU A 53 151.266 -2.085 6.221 1.00 0.00 C ATOM 739 CG GLU A 53 152.268 -2.908 7.013 1.00 0.00 C ATOM 740 CD GLU A 53 151.835 -3.131 8.448 1.00 0.00 C ATOM 741 OE1 GLU A 53 152.041 -2.220 9.279 1.00 0.00 O ATOM 742 OE2 GLU A 53 151.291 -4.216 8.744 1.00 0.00 O ATOM 0 H GLU A 53 149.322 -1.395 4.681 1.00 0.00 H new ATOM 0 HA GLU A 53 151.969 -2.593 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.618 -1.055 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.317 -2.069 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.406 -3.873 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.235 -2.404 7.003 1.00 0.00 H new ATOM 749 N LEU A 54 151.200 -4.933 4.139 1.00 0.00 N ATOM 750 CA LEU A 54 150.817 -6.340 4.105 1.00 0.00 C ATOM 751 C LEU A 54 151.111 -7.016 5.440 1.00 0.00 C ATOM 752 O LEU A 54 152.156 -6.782 6.049 1.00 0.00 O ATOM 753 CB LEU A 54 151.558 -7.064 2.979 1.00 0.00 C ATOM 754 CG LEU A 54 151.517 -6.362 1.621 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.750 -6.710 0.802 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.250 -6.737 0.867 1.00 0.00 C ATOM 0 H LEU A 54 152.018 -4.704 3.574 1.00 0.00 H new ATOM 0 HA LEU A 54 149.744 -6.395 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.600 -7.192 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.133 -8.062 2.868 1.00 0.00 H new ATOM 0 HG LEU A 54 151.511 -5.285 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.703 -6.201 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.644 -6.391 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.788 -7.787 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.237 -6.229 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 54 150.226 -7.815 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.378 -6.436 1.448 1.00 0.00 H new ATOM 768 N GLU A 55 150.185 -7.857 5.890 1.00 0.00 N ATOM 769 CA GLU A 55 150.346 -8.568 7.153 1.00 0.00 C ATOM 770 C GLU A 55 151.400 -9.662 7.031 1.00 0.00 C ATOM 771 O GLU A 55 152.098 -9.977 7.995 1.00 0.00 O ATOM 772 CB GLU A 55 149.013 -9.174 7.594 1.00 0.00 C ATOM 773 CG GLU A 55 148.076 -8.172 8.249 1.00 0.00 C ATOM 774 CD GLU A 55 146.632 -8.363 7.827 1.00 0.00 C ATOM 775 OE1 GLU A 55 146.366 -8.371 6.606 1.00 0.00 O ATOM 776 OE2 GLU A 55 145.767 -8.503 8.717 1.00 0.00 O ATOM 0 H GLU A 55 149.315 -8.063 5.398 1.00 0.00 H new ATOM 0 HA GLU A 55 150.678 -7.852 7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.517 -9.610 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 55 149.207 -9.988 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 55 148.150 -8.266 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 55 148.395 -7.161 7.994 1.00 0.00 H new ATOM 783 N ASP A 56 151.511 -10.239 5.839 1.00 0.00 N ATOM 784 CA ASP A 56 152.481 -11.300 5.590 1.00 0.00 C ATOM 785 C ASP A 56 153.770 -10.732 5.004 1.00 0.00 C ATOM 786 O ASP A 56 153.744 -10.008 4.008 1.00 0.00 O ATOM 787 CB ASP A 56 151.893 -12.345 4.642 1.00 0.00 C ATOM 788 CG ASP A 56 151.185 -13.464 5.381 1.00 0.00 C ATOM 789 OD1 ASP A 56 150.434 -13.164 6.333 1.00 0.00 O ATOM 790 OD2 ASP A 56 151.383 -14.640 5.009 1.00 0.00 O ATOM 0 H ASP A 56 150.942 -9.990 5.030 1.00 0.00 H new ATOM 0 HA ASP A 56 152.715 -11.775 6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 56 151.191 -11.861 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.691 -12.766 4.030 1.00 0.00 H new ATOM 795 N GLU A 57 154.895 -11.065 5.626 1.00 0.00 N ATOM 796 CA GLU A 57 156.194 -10.588 5.166 1.00 0.00 C ATOM 797 C GLU A 57 156.577 -11.245 3.845 1.00 0.00 C ATOM 798 O GLU A 57 157.029 -12.390 3.817 1.00 0.00 O ATOM 799 CB GLU A 57 157.267 -10.870 6.220 1.00 0.00 C ATOM 800 CG GLU A 57 157.447 -9.740 7.221 1.00 0.00 C ATOM 801 CD GLU A 57 158.872 -9.634 7.728 1.00 0.00 C ATOM 802 OE1 GLU A 57 159.805 -9.697 6.900 1.00 0.00 O ATOM 803 OE2 GLU A 57 159.056 -9.488 8.955 1.00 0.00 O ATOM 0 H GLU A 57 154.934 -11.664 6.451 1.00 0.00 H new ATOM 0 HA GLU A 57 156.124 -9.512 5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 57 157.006 -11.782 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.217 -11.055 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.160 -8.797 6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.775 -9.896 8.065 1.00 0.00 H new ATOM 810 N CYS A 58 156.395 -10.513 2.750 1.00 0.00 N ATOM 811 CA CYS A 58 156.722 -11.025 1.425 1.00 0.00 C ATOM 812 C CYS A 58 158.004 -10.389 0.898 1.00 0.00 C ATOM 813 O CYS A 58 158.094 -9.169 0.762 1.00 0.00 O ATOM 814 CB CYS A 58 155.570 -10.760 0.454 1.00 0.00 C ATOM 815 SG CYS A 58 154.347 -12.089 0.379 1.00 0.00 S ATOM 0 H CYS A 58 156.023 -9.563 2.755 1.00 0.00 H new ATOM 0 HA CYS A 58 156.878 -12.101 1.506 1.00 0.00 H new ATOM 0 HB2 CYS A 58 155.070 -9.836 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.979 -10.601 -0.544 1.00 0.00 H new ATOM 0 HG CYS A 58 153.412 -11.771 -0.467 1.00 0.00 H new ATOM 821 N ALA A 59 158.995 -11.225 0.602 1.00 0.00 N ATOM 822 CA ALA A 59 160.272 -10.744 0.090 1.00 0.00 C ATOM 823 C ALA A 59 160.092 -10.017 -1.238 1.00 0.00 C ATOM 824 O ALA A 59 159.556 -10.575 -2.195 1.00 0.00 O ATOM 825 CB ALA A 59 161.246 -11.902 -0.069 1.00 0.00 C ATOM 0 H ALA A 59 158.937 -12.238 0.708 1.00 0.00 H new ATOM 0 HA ALA A 59 160.681 -10.035 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 59 162.196 -11.529 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 59 161.407 -12.378 0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.834 -12.631 -0.767 1.00 0.00 H new ATOM 831 N GLY A 60 160.541 -8.767 -1.288 1.00 0.00 N ATOM 832 CA GLY A 60 160.420 -7.984 -2.504 1.00 0.00 C ATOM 833 C GLY A 60 159.945 -6.569 -2.237 1.00 0.00 C ATOM 834 O GLY A 60 160.265 -5.647 -2.989 1.00 0.00 O ATOM 0 H GLY A 60 160.986 -8.283 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.385 -7.951 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 60 159.723 -8.476 -3.182 1.00 0.00 H new ATOM 838 N CYS A 61 159.183 -6.395 -1.163 1.00 0.00 N ATOM 839 CA CYS A 61 158.664 -5.082 -0.798 1.00 0.00 C ATOM 840 C CYS A 61 159.626 -4.359 0.140 1.00 0.00 C ATOM 841 O CYS A 61 160.633 -4.922 0.567 1.00 0.00 O ATOM 842 CB CYS A 61 157.293 -5.218 -0.136 1.00 0.00 C ATOM 843 SG CYS A 61 156.080 -6.119 -1.129 1.00 0.00 S ATOM 0 H CYS A 61 158.911 -7.147 -0.530 1.00 0.00 H new ATOM 0 HA CYS A 61 158.562 -4.493 -1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.412 -5.726 0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.904 -4.222 0.078 1.00 0.00 H new ATOM 0 HG CYS A 61 154.881 -5.833 -0.715 1.00 0.00 H new ATOM 849 N THR A 62 159.306 -3.107 0.457 1.00 0.00 N ATOM 850 CA THR A 62 160.142 -2.308 1.345 1.00 0.00 C ATOM 851 C THR A 62 159.530 -2.225 2.739 1.00 0.00 C ATOM 852 O THR A 62 158.568 -2.929 3.048 1.00 0.00 O ATOM 853 CB THR A 62 160.329 -0.902 0.774 1.00 0.00 C ATOM 854 OG1 THR A 62 159.146 -0.138 0.925 1.00 0.00 O ATOM 855 CG2 THR A 62 160.696 -0.896 -0.695 1.00 0.00 C ATOM 0 H THR A 62 158.475 -2.626 0.112 1.00 0.00 H new ATOM 0 HA THR A 62 161.115 -2.794 1.423 1.00 0.00 H new ATOM 0 HB THR A 62 161.154 -0.468 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 62 159.075 0.504 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.814 0.132 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.632 -1.435 -0.838 1.00 0.00 H new ATOM 0 HG23 THR A 62 159.906 -1.381 -1.269 1.00 0.00 H new ATOM 863 N ASP A 63 160.095 -1.362 3.578 1.00 0.00 N ATOM 864 CA ASP A 63 159.605 -1.188 4.940 1.00 0.00 C ATOM 865 C ASP A 63 158.822 0.115 5.073 1.00 0.00 C ATOM 866 O ASP A 63 158.815 0.740 6.134 1.00 0.00 O ATOM 867 CB ASP A 63 160.772 -1.199 5.930 1.00 0.00 C ATOM 868 CG ASP A 63 161.778 -0.100 5.649 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.434 1.085 5.850 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.909 -0.422 5.230 1.00 0.00 O ATOM 0 H ASP A 63 160.892 -0.773 3.338 1.00 0.00 H new ATOM 0 HA ASP A 63 158.937 -2.018 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.387 -1.085 6.943 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.273 -2.166 5.887 1.00 0.00 H new ATOM 875 N GLY A 64 158.166 0.519 3.991 1.00 0.00 N ATOM 876 CA GLY A 64 157.389 1.744 4.009 1.00 0.00 C ATOM 877 C GLY A 64 158.114 2.900 3.347 1.00 0.00 C ATOM 878 O GLY A 64 158.167 4.002 3.892 1.00 0.00 O ATOM 0 H GLY A 64 158.158 0.020 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.439 1.576 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.156 2.008 5.041 1.00 0.00 H new ATOM 882 N THR A 65 158.674 2.647 2.168 1.00 0.00 N ATOM 883 CA THR A 65 159.399 3.675 1.431 1.00 0.00 C ATOM 884 C THR A 65 159.023 3.652 -0.047 1.00 0.00 C ATOM 885 O THR A 65 159.172 2.632 -0.720 1.00 0.00 O ATOM 886 CB THR A 65 160.908 3.476 1.589 1.00 0.00 C ATOM 887 OG1 THR A 65 161.327 2.287 0.941 1.00 0.00 O ATOM 888 CG2 THR A 65 161.353 3.394 3.032 1.00 0.00 C ATOM 0 H THR A 65 158.639 1.740 1.703 1.00 0.00 H new ATOM 0 HA THR A 65 159.122 4.646 1.842 1.00 0.00 H new ATOM 0 HB THR A 65 161.365 4.355 1.135 1.00 0.00 H new ATOM 0 HG1 THR A 65 160.669 2.037 0.259 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.433 3.253 3.072 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.088 4.317 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.859 2.553 3.518 1.00 0.00 H new ATOM 896 N PHE A 66 158.536 4.784 -0.546 1.00 0.00 N ATOM 897 CA PHE A 66 158.138 4.894 -1.945 1.00 0.00 C ATOM 898 C PHE A 66 159.106 5.785 -2.717 1.00 0.00 C ATOM 899 O PHE A 66 159.243 6.971 -2.422 1.00 0.00 O ATOM 900 CB PHE A 66 156.718 5.452 -2.051 1.00 0.00 C ATOM 901 CG PHE A 66 156.051 5.152 -3.362 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.908 3.844 -3.798 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.567 6.177 -4.159 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.294 3.564 -5.004 1.00 0.00 C ATOM 905 CE2 PHE A 66 154.953 5.903 -5.367 1.00 0.00 C ATOM 906 CZ PHE A 66 154.816 4.596 -5.790 1.00 0.00 C ATOM 0 H PHE A 66 158.408 5.638 -0.003 1.00 0.00 H new ATOM 0 HA PHE A 66 158.162 3.896 -2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.114 5.040 -1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.749 6.532 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.281 3.034 -3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.671 7.201 -3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.188 2.541 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.581 6.711 -5.979 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.336 4.380 -6.733 1.00 0.00 H new ATOM 916 N ARG A 67 159.776 5.204 -3.706 1.00 0.00 N ATOM 917 CA ARG A 67 160.732 5.945 -4.521 1.00 0.00 C ATOM 918 C ARG A 67 161.860 6.505 -3.662 1.00 0.00 C ATOM 919 O ARG A 67 162.359 7.602 -3.913 1.00 0.00 O ATOM 920 CB ARG A 67 160.026 7.082 -5.263 1.00 0.00 C ATOM 921 CG ARG A 67 158.955 6.606 -6.229 1.00 0.00 C ATOM 922 CD ARG A 67 158.909 7.468 -7.481 1.00 0.00 C ATOM 923 NE ARG A 67 160.062 7.236 -8.347 1.00 0.00 N ATOM 924 CZ ARG A 67 160.434 8.061 -9.323 1.00 0.00 C ATOM 925 NH1 ARG A 67 159.746 9.171 -9.562 1.00 0.00 N ATOM 926 NH2 ARG A 67 161.496 7.775 -10.064 1.00 0.00 N ATOM 0 H ARG A 67 159.675 4.222 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 67 161.162 5.257 -5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.573 7.754 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.768 7.661 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.149 5.570 -6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 67 157.983 6.627 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 67 157.993 7.257 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 67 158.875 8.520 -7.196 1.00 0.00 H new ATOM 0 HE ARG A 67 160.615 6.392 -8.195 1.00 0.00 H new ATOM 0 HH11 ARG A 67 158.927 9.395 -8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 67 160.036 9.799 -10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 67 162.028 6.923 -9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 67 161.781 8.407 -10.812 1.00 0.00 H new ATOM 940 N GLY A 68 162.258 5.744 -2.648 1.00 0.00 N ATOM 941 CA GLY A 68 163.326 6.180 -1.767 1.00 0.00 C ATOM 942 C GLY A 68 162.888 7.290 -0.831 1.00 0.00 C ATOM 943 O GLY A 68 163.699 8.118 -0.417 1.00 0.00 O ATOM 0 H GLY A 68 161.860 4.833 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.678 5.332 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.169 6.525 -2.366 1.00 0.00 H new ATOM 947 N THR A 69 161.602 7.306 -0.497 1.00 0.00 N ATOM 948 CA THR A 69 161.057 8.321 0.396 1.00 0.00 C ATOM 949 C THR A 69 160.168 7.689 1.461 1.00 0.00 C ATOM 950 O THR A 69 159.055 7.247 1.174 1.00 0.00 O ATOM 951 CB THR A 69 160.261 9.357 -0.401 1.00 0.00 C ATOM 952 OG1 THR A 69 160.900 9.644 -1.631 1.00 0.00 O ATOM 953 CG2 THR A 69 160.075 10.666 0.336 1.00 0.00 C ATOM 0 H THR A 69 160.918 6.627 -0.831 1.00 0.00 H new ATOM 0 HA THR A 69 161.891 8.817 0.893 1.00 0.00 H new ATOM 0 HB THR A 69 159.282 8.906 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.374 10.307 -2.126 1.00 0.00 H new ATOM 0 HG21 THR A 69 159.503 11.355 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.538 10.486 1.268 1.00 0.00 H new ATOM 0 HG23 THR A 69 161.050 11.101 0.557 1.00 0.00 H new ATOM 961 N ARG A 70 160.666 7.649 2.693 1.00 0.00 N ATOM 962 CA ARG A 70 159.916 7.070 3.801 1.00 0.00 C ATOM 963 C ARG A 70 158.751 7.971 4.200 1.00 0.00 C ATOM 964 O ARG A 70 158.945 9.137 4.541 1.00 0.00 O ATOM 965 CB ARG A 70 160.835 6.844 5.004 1.00 0.00 C ATOM 966 CG ARG A 70 160.136 6.206 6.193 1.00 0.00 C ATOM 967 CD ARG A 70 160.931 6.397 7.474 1.00 0.00 C ATOM 968 NE ARG A 70 162.034 5.445 7.582 1.00 0.00 N ATOM 969 CZ ARG A 70 163.054 5.585 8.426 1.00 0.00 C ATOM 970 NH1 ARG A 70 163.116 6.635 9.235 1.00 0.00 N ATOM 971 NH2 ARG A 70 164.015 4.673 8.459 1.00 0.00 N ATOM 0 H ARG A 70 161.585 8.010 2.949 1.00 0.00 H new ATOM 0 HA ARG A 70 159.515 6.111 3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.668 6.210 4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.258 7.800 5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.144 6.642 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 70 159.996 5.141 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 70 161.325 7.413 7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.269 6.283 8.332 1.00 0.00 H new ATOM 0 HE ARG A 70 162.022 4.625 6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 70 162.380 7.340 9.212 1.00 0.00 H new ATOM 0 HH12 ARG A 70 163.900 6.737 9.879 1.00 0.00 H new ATOM 0 HH21 ARG A 70 163.973 3.865 7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.797 4.779 9.105 1.00 0.00 H new ATOM 985 N TYR A 71 157.543 7.421 4.154 1.00 0.00 N ATOM 986 CA TYR A 71 156.346 8.176 4.510 1.00 0.00 C ATOM 987 C TYR A 71 155.852 7.788 5.900 1.00 0.00 C ATOM 988 O TYR A 71 155.446 8.644 6.686 1.00 0.00 O ATOM 989 CB TYR A 71 155.242 7.936 3.479 1.00 0.00 C ATOM 990 CG TYR A 71 155.536 8.538 2.124 1.00 0.00 C ATOM 991 CD1 TYR A 71 156.048 9.825 2.011 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.304 7.820 0.958 1.00 0.00 C ATOM 993 CE1 TYR A 71 156.318 10.379 0.773 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.572 8.367 -0.283 1.00 0.00 C ATOM 995 CZ TYR A 71 156.079 9.647 -0.369 1.00 0.00 C ATOM 996 OH TYR A 71 156.347 10.193 -1.603 1.00 0.00 O ATOM 0 H TYR A 71 157.366 6.456 3.874 1.00 0.00 H new ATOM 0 HA TYR A 71 156.603 9.235 4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.090 6.863 3.365 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.308 8.351 3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 71 156.238 10.402 2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 71 154.908 6.817 1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 71 156.714 11.381 0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.385 7.795 -1.180 1.00 0.00 H new ATOM 0 HH TYR A 71 156.123 9.545 -2.303 1.00 0.00 H new ATOM 1006 N PHE A 72 155.891 6.494 6.197 1.00 0.00 N ATOM 1007 CA PHE A 72 155.448 5.993 7.492 1.00 0.00 C ATOM 1008 C PHE A 72 156.433 4.968 8.045 1.00 0.00 C ATOM 1009 O PHE A 72 157.368 4.556 7.358 1.00 0.00 O ATOM 1010 CB PHE A 72 154.057 5.368 7.373 1.00 0.00 C ATOM 1011 CG PHE A 72 153.981 4.262 6.359 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.686 4.538 5.034 1.00 0.00 C ATOM 1013 CD2 PHE A 72 154.205 2.946 6.733 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.616 3.522 4.099 1.00 0.00 C ATOM 1015 CE2 PHE A 72 154.135 1.926 5.802 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.841 2.214 4.484 1.00 0.00 C ATOM 0 H PHE A 72 156.225 5.773 5.558 1.00 0.00 H new ATOM 0 HA PHE A 72 155.402 6.835 8.182 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.758 4.979 8.346 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.340 6.145 7.106 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.509 5.558 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.437 2.715 7.762 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.386 3.750 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 72 154.310 0.904 6.106 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.787 1.419 3.755 1.00 0.00 H new ATOM 1026 N THR A 73 156.216 4.559 9.291 1.00 0.00 N ATOM 1027 CA THR A 73 157.085 3.581 9.937 1.00 0.00 C ATOM 1028 C THR A 73 156.374 2.242 10.094 1.00 0.00 C ATOM 1029 O THR A 73 155.396 2.129 10.834 1.00 0.00 O ATOM 1030 CB THR A 73 157.538 4.094 11.304 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.838 5.477 11.247 1.00 0.00 O ATOM 1032 CG2 THR A 73 158.761 3.380 11.837 1.00 0.00 C ATOM 0 H THR A 73 155.446 4.889 9.873 1.00 0.00 H new ATOM 0 HA THR A 73 157.960 3.436 9.303 1.00 0.00 H new ATOM 0 HB THR A 73 156.702 3.899 11.976 1.00 0.00 H new ATOM 0 HG1 THR A 73 158.124 5.786 12.132 1.00 0.00 H new ATOM 0 HG21 THR A 73 159.028 3.793 12.810 1.00 0.00 H new ATOM 0 HG22 THR A 73 158.545 2.317 11.941 1.00 0.00 H new ATOM 0 HG23 THR A 73 159.592 3.515 11.145 1.00 0.00 H new ATOM 1040 N CYS A 74 156.871 1.227 9.394 1.00 0.00 N ATOM 1041 CA CYS A 74 156.282 -0.106 9.455 1.00 0.00 C ATOM 1042 C CYS A 74 157.366 -1.179 9.459 1.00 0.00 C ATOM 1043 O CYS A 74 158.558 -0.871 9.475 1.00 0.00 O ATOM 1044 CB CYS A 74 155.336 -0.324 8.272 1.00 0.00 C ATOM 1045 SG CYS A 74 153.626 0.165 8.594 1.00 0.00 S ATOM 0 H CYS A 74 157.680 1.302 8.778 1.00 0.00 H new ATOM 0 HA CYS A 74 155.715 -0.184 10.383 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.708 0.238 7.415 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.355 -1.378 7.995 1.00 0.00 H new ATOM 0 HG CYS A 74 152.897 -0.897 8.770 1.00 0.00 H new ATOM 1051 N ALA A 75 156.944 -2.438 9.446 1.00 0.00 N ATOM 1052 CA ALA A 75 157.878 -3.557 9.448 1.00 0.00 C ATOM 1053 C ALA A 75 158.504 -3.753 8.071 1.00 0.00 C ATOM 1054 O ALA A 75 158.021 -3.212 7.077 1.00 0.00 O ATOM 1055 CB ALA A 75 157.177 -4.830 9.897 1.00 0.00 C ATOM 0 H ALA A 75 155.961 -2.709 9.434 1.00 0.00 H new ATOM 0 HA ALA A 75 158.678 -3.328 10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.887 -5.657 9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.784 -4.693 10.905 1.00 0.00 H new ATOM 0 HB3 ALA A 75 156.356 -5.053 9.215 1.00 0.00 H new ATOM 1061 N LEU A 76 159.581 -4.530 8.021 1.00 0.00 N ATOM 1062 CA LEU A 76 160.273 -4.798 6.765 1.00 0.00 C ATOM 1063 C LEU A 76 159.514 -5.828 5.935 1.00 0.00 C ATOM 1064 O LEU A 76 158.956 -6.784 6.473 1.00 0.00 O ATOM 1065 CB LEU A 76 161.695 -5.292 7.037 1.00 0.00 C ATOM 1066 CG LEU A 76 162.712 -4.195 7.352 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.770 -4.708 8.317 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.358 -3.686 6.072 1.00 0.00 C ATOM 0 H LEU A 76 159.994 -4.985 8.835 1.00 0.00 H new ATOM 0 HA LEU A 76 160.322 -3.867 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.667 -5.991 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 76 162.042 -5.849 6.167 1.00 0.00 H new ATOM 0 HG LEU A 76 162.188 -3.366 7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.485 -3.913 8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 76 163.293 -5.025 9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 76 164.291 -5.554 7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 76 164.079 -2.905 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.868 -4.508 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.590 -3.279 5.414 1.00 0.00 H new ATOM 1080 N LYS A 77 159.498 -5.627 4.621 1.00 0.00 N ATOM 1081 CA LYS A 77 158.807 -6.538 3.716 1.00 0.00 C ATOM 1082 C LYS A 77 157.311 -6.563 4.005 1.00 0.00 C ATOM 1083 O LYS A 77 156.676 -7.618 3.962 1.00 0.00 O ATOM 1084 CB LYS A 77 159.387 -7.948 3.836 1.00 0.00 C ATOM 1085 CG LYS A 77 160.907 -7.984 3.832 1.00 0.00 C ATOM 1086 CD LYS A 77 161.469 -7.583 2.478 1.00 0.00 C ATOM 1087 CE LYS A 77 162.944 -7.228 2.570 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.150 -5.792 2.908 1.00 0.00 N ATOM 0 H LYS A 77 159.956 -4.841 4.159 1.00 0.00 H new ATOM 0 HA LYS A 77 158.954 -6.179 2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.024 -8.404 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 77 159.015 -8.556 3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.290 -7.312 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.249 -8.987 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.334 -8.401 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.912 -6.730 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 77 163.421 -7.851 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.431 -7.451 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.169 -5.591 2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 162.717 -5.197 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 162.708 -5.585 3.826 1.00 0.00 H new ATOM 1102 N LYS A 78 156.750 -5.395 4.301 1.00 0.00 N ATOM 1103 CA LYS A 78 155.326 -5.284 4.597 1.00 0.00 C ATOM 1104 C LYS A 78 154.793 -3.911 4.198 1.00 0.00 C ATOM 1105 O LYS A 78 153.981 -3.318 4.908 1.00 0.00 O ATOM 1106 CB LYS A 78 155.074 -5.529 6.086 1.00 0.00 C ATOM 1107 CG LYS A 78 155.640 -6.847 6.590 1.00 0.00 C ATOM 1108 CD LYS A 78 155.270 -7.094 8.043 1.00 0.00 C ATOM 1109 CE LYS A 78 154.151 -8.116 8.169 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.312 -7.875 9.376 1.00 0.00 N ATOM 0 H LYS A 78 157.259 -4.512 4.342 1.00 0.00 H new ATOM 0 HA LYS A 78 154.799 -6.041 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.512 -4.712 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 78 154.000 -5.509 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.265 -7.664 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.725 -6.842 6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 78 156.147 -7.444 8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.961 -6.156 8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.524 -8.080 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.578 -9.118 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.512 -8.539 9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.886 -8.018 10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.952 -6.899 9.360 1.00 0.00 H new ATOM 1124 N ALA A 79 155.255 -3.413 3.056 1.00 0.00 N ATOM 1125 CA ALA A 79 154.824 -2.111 2.561 1.00 0.00 C ATOM 1126 C ALA A 79 154.652 -2.129 1.047 1.00 0.00 C ATOM 1127 O ALA A 79 155.630 -2.201 0.301 1.00 0.00 O ATOM 1128 CB ALA A 79 155.822 -1.036 2.968 1.00 0.00 C ATOM 0 H ALA A 79 155.927 -3.891 2.456 1.00 0.00 H new ATOM 0 HA ALA A 79 153.856 -1.882 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.488 -0.069 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.893 -0.998 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.800 -1.270 2.549 1.00 0.00 H new ATOM 1134 N LEU A 80 153.404 -2.063 0.597 1.00 0.00 N ATOM 1135 CA LEU A 80 153.103 -2.072 -0.829 1.00 0.00 C ATOM 1136 C LEU A 80 152.276 -0.851 -1.218 1.00 0.00 C ATOM 1137 O LEU A 80 151.095 -0.756 -0.884 1.00 0.00 O ATOM 1138 CB LEU A 80 152.352 -3.352 -1.205 1.00 0.00 C ATOM 1139 CG LEU A 80 151.922 -3.444 -2.670 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.135 -3.587 -3.575 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.964 -4.609 -2.871 1.00 0.00 C ATOM 0 H LEU A 80 152.584 -2.003 1.200 1.00 0.00 H new ATOM 0 HA LEU A 80 154.046 -2.039 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.986 -4.208 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.465 -3.433 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 80 151.404 -2.522 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.809 -3.651 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.785 -2.721 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.682 -4.492 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.668 -4.660 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.457 -5.539 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 80 150.080 -4.464 -2.251 1.00 0.00 H new ATOM 1153 N PHE A 81 152.905 0.081 -1.927 1.00 0.00 N ATOM 1154 CA PHE A 81 152.227 1.297 -2.362 1.00 0.00 C ATOM 1155 C PHE A 81 151.405 1.041 -3.622 1.00 0.00 C ATOM 1156 O PHE A 81 151.884 0.420 -4.571 1.00 0.00 O ATOM 1157 CB PHE A 81 153.246 2.408 -2.621 1.00 0.00 C ATOM 1158 CG PHE A 81 153.856 2.967 -1.367 1.00 0.00 C ATOM 1159 CD1 PHE A 81 153.201 3.948 -0.640 1.00 0.00 C ATOM 1160 CD2 PHE A 81 155.084 2.511 -0.916 1.00 0.00 C ATOM 1161 CE1 PHE A 81 153.759 4.463 0.514 1.00 0.00 C ATOM 1162 CE2 PHE A 81 155.649 3.023 0.237 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.985 4.000 0.953 1.00 0.00 C ATOM 0 H PHE A 81 153.882 0.018 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 81 151.551 1.611 -1.567 1.00 0.00 H new ATOM 0 HB2 PHE A 81 154.040 2.020 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.760 3.215 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 81 152.243 4.314 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 81 155.606 1.746 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 81 153.238 5.226 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 81 156.608 2.660 0.577 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.423 4.402 1.855 1.00 0.00 H new ATOM 1173 N VAL A 82 150.167 1.524 -3.623 1.00 0.00 N ATOM 1174 CA VAL A 82 149.280 1.347 -4.765 1.00 0.00 C ATOM 1175 C VAL A 82 148.315 2.521 -4.898 1.00 0.00 C ATOM 1176 O VAL A 82 148.180 3.332 -3.983 1.00 0.00 O ATOM 1177 CB VAL A 82 148.470 0.042 -4.652 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.379 -1.166 -4.809 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.724 -0.010 -3.327 1.00 0.00 C ATOM 0 H VAL A 82 149.756 2.041 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 82 149.913 1.297 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 82 147.735 0.021 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.789 -2.079 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.862 -1.133 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.139 -1.153 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.157 -0.939 -3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.439 0.035 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.041 0.837 -3.261 1.00 0.00 H new ATOM 1189 N LYS A 83 147.645 2.602 -6.043 1.00 0.00 N ATOM 1190 CA LYS A 83 146.693 3.677 -6.295 1.00 0.00 C ATOM 1191 C LYS A 83 145.494 3.573 -5.358 1.00 0.00 C ATOM 1192 O LYS A 83 144.809 2.552 -5.318 1.00 0.00 O ATOM 1193 CB LYS A 83 146.223 3.638 -7.751 1.00 0.00 C ATOM 1194 CG LYS A 83 147.353 3.770 -8.758 1.00 0.00 C ATOM 1195 CD LYS A 83 146.881 3.453 -10.168 1.00 0.00 C ATOM 1196 CE LYS A 83 147.739 4.151 -11.212 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.766 3.239 -11.787 1.00 0.00 N ATOM 0 H LYS A 83 147.744 1.937 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 83 147.196 4.626 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.696 2.700 -7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.506 4.442 -7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.754 4.783 -8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.166 3.097 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 83 146.913 2.376 -10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 83 145.842 3.762 -10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.102 4.530 -12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.231 5.013 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 149.330 3.753 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 149.390 2.897 -11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 148.296 2.429 -12.240 1.00 0.00 H new ATOM 1211 N LEU A 84 145.250 4.640 -4.605 1.00 0.00 N ATOM 1212 CA LEU A 84 144.136 4.675 -3.666 1.00 0.00 C ATOM 1213 C LEU A 84 142.808 4.456 -4.384 1.00 0.00 C ATOM 1214 O LEU A 84 141.894 3.832 -3.844 1.00 0.00 O ATOM 1215 CB LEU A 84 144.115 6.015 -2.924 1.00 0.00 C ATOM 1216 CG LEU A 84 142.921 6.222 -1.990 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.105 5.434 -0.703 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.732 7.702 -1.689 1.00 0.00 C ATOM 0 H LEU A 84 145.810 5.493 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 84 144.273 3.868 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.032 6.104 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.125 6.820 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 84 142.025 5.855 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.245 5.594 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.191 4.373 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 84 144.011 5.769 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.879 7.832 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.629 8.093 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.553 8.242 -2.619 1.00 0.00 H new ATOM 1230 N LYS A 85 142.708 4.971 -5.606 1.00 0.00 N ATOM 1231 CA LYS A 85 141.491 4.830 -6.398 1.00 0.00 C ATOM 1232 C LYS A 85 141.220 3.365 -6.728 1.00 0.00 C ATOM 1233 O LYS A 85 140.075 2.975 -6.956 1.00 0.00 O ATOM 1234 CB LYS A 85 141.602 5.645 -7.688 1.00 0.00 C ATOM 1235 CG LYS A 85 142.793 5.264 -8.549 1.00 0.00 C ATOM 1236 CD LYS A 85 143.264 6.434 -9.398 1.00 0.00 C ATOM 1237 CE LYS A 85 144.650 6.186 -9.970 1.00 0.00 C ATOM 1238 NZ LYS A 85 145.138 7.346 -10.766 1.00 0.00 N ATOM 0 H LYS A 85 143.455 5.489 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 85 140.657 5.208 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 85 140.689 5.516 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 85 141.672 6.703 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.609 4.923 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.523 4.429 -9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 85 142.558 6.602 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 85 143.276 7.341 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 85 145.348 5.984 -9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 85 144.629 5.297 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 146.086 7.137 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.486 7.523 -11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 145.183 8.189 -10.159 1.00 0.00 H new ATOM 1252 N SER A 86 142.277 2.559 -6.753 1.00 0.00 N ATOM 1253 CA SER A 86 142.146 1.139 -7.057 1.00 0.00 C ATOM 1254 C SER A 86 142.102 0.309 -5.777 1.00 0.00 C ATOM 1255 O SER A 86 142.605 -0.814 -5.737 1.00 0.00 O ATOM 1256 CB SER A 86 143.308 0.676 -7.938 1.00 0.00 C ATOM 1257 OG SER A 86 143.567 1.608 -8.973 1.00 0.00 O ATOM 0 H SER A 86 143.232 2.865 -6.567 1.00 0.00 H new ATOM 0 HA SER A 86 141.209 0.994 -7.595 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.202 0.548 -7.328 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.075 -0.297 -8.371 1.00 0.00 H new ATOM 0 HG SER A 86 144.315 1.289 -9.520 1.00 0.00 H new ATOM 1263 N CYS A 87 141.498 0.868 -4.734 1.00 0.00 N ATOM 1264 CA CYS A 87 141.387 0.180 -3.453 1.00 0.00 C ATOM 1265 C CYS A 87 139.928 -0.097 -3.109 1.00 0.00 C ATOM 1266 O CYS A 87 139.021 0.538 -3.648 1.00 0.00 O ATOM 1267 CB CYS A 87 142.036 1.012 -2.345 1.00 0.00 C ATOM 1268 SG CYS A 87 143.843 1.034 -2.401 1.00 0.00 S ATOM 0 H CYS A 87 141.077 1.797 -4.751 1.00 0.00 H new ATOM 0 HA CYS A 87 141.909 -0.773 -3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.669 2.036 -2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.718 0.622 -1.378 1.00 0.00 H new ATOM 0 HG CYS A 87 144.236 1.604 -3.501 1.00 0.00 H new ATOM 1274 N ARG A 88 139.706 -1.049 -2.208 1.00 0.00 N ATOM 1275 CA ARG A 88 138.356 -1.408 -1.793 1.00 0.00 C ATOM 1276 C ARG A 88 138.267 -1.531 -0.272 1.00 0.00 C ATOM 1277 O ARG A 88 139.211 -1.983 0.376 1.00 0.00 O ATOM 1278 CB ARG A 88 137.932 -2.723 -2.448 1.00 0.00 C ATOM 1279 CG ARG A 88 137.230 -2.538 -3.784 1.00 0.00 C ATOM 1280 CD ARG A 88 135.718 -2.566 -3.627 1.00 0.00 C ATOM 1281 NE ARG A 88 135.059 -3.157 -4.789 1.00 0.00 N ATOM 1282 CZ ARG A 88 135.003 -2.577 -5.985 1.00 0.00 C ATOM 1283 NH1 ARG A 88 135.566 -1.391 -6.183 1.00 0.00 N ATOM 1284 NH2 ARG A 88 134.382 -3.184 -6.987 1.00 0.00 N ATOM 0 H ARG A 88 140.444 -1.585 -1.752 1.00 0.00 H new ATOM 0 HA ARG A 88 137.681 -0.615 -2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.813 -3.348 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.269 -3.260 -1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.533 -1.590 -4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.540 -3.325 -4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.457 -3.134 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.350 -1.551 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 88 134.615 -4.069 -4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 88 136.045 -0.919 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 88 135.520 -0.952 -7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 88 133.948 -4.095 -6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 88 134.339 -2.740 -7.904 1.00 0.00 H new ATOM 1298 N PRO A 89 137.126 -1.131 0.319 1.00 0.00 N ATOM 1299 CA PRO A 89 136.924 -1.201 1.769 1.00 0.00 C ATOM 1300 C PRO A 89 137.168 -2.603 2.320 1.00 0.00 C ATOM 1301 O PRO A 89 136.530 -3.566 1.898 1.00 0.00 O ATOM 1302 CB PRO A 89 135.455 -0.807 1.948 1.00 0.00 C ATOM 1303 CG PRO A 89 135.126 -0.003 0.740 1.00 0.00 C ATOM 1304 CD PRO A 89 135.949 -0.581 -0.377 1.00 0.00 C ATOM 0 HA PRO A 89 137.619 -0.556 2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.816 -1.687 2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.309 -0.228 2.860 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.062 -0.060 0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.363 1.050 0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.405 -1.354 -0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.231 0.180 -1.104 1.00 0.00 H new ATOM 1312 N ASP A 90 138.095 -2.707 3.267 1.00 0.00 N ATOM 1313 CA ASP A 90 138.422 -3.991 3.877 1.00 0.00 C ATOM 1314 C ASP A 90 137.795 -4.110 5.262 1.00 0.00 C ATOM 1315 O ASP A 90 138.296 -3.540 6.232 1.00 0.00 O ATOM 1316 CB ASP A 90 139.940 -4.160 3.977 1.00 0.00 C ATOM 1317 CG ASP A 90 140.365 -5.614 3.896 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.547 -6.492 4.244 1.00 0.00 O ATOM 1319 OD2 ASP A 90 141.516 -5.873 3.485 1.00 0.00 O ATOM 0 H ASP A 90 138.632 -1.919 3.628 1.00 0.00 H new ATOM 0 HA ASP A 90 138.016 -4.780 3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.419 -3.599 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 90 140.289 -3.734 4.917 1.00 0.00 H new ATOM 1324 N SER A 91 136.695 -4.850 5.346 1.00 0.00 N ATOM 1325 CA SER A 91 135.997 -5.042 6.613 1.00 0.00 C ATOM 1326 C SER A 91 136.378 -6.376 7.247 1.00 0.00 C ATOM 1327 O SER A 91 135.575 -6.993 7.947 1.00 0.00 O ATOM 1328 CB SER A 91 134.485 -4.978 6.401 1.00 0.00 C ATOM 1329 OG SER A 91 133.828 -4.483 7.554 1.00 0.00 O ATOM 0 H SER A 91 136.267 -5.327 4.552 1.00 0.00 H new ATOM 0 HA SER A 91 136.296 -4.241 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 91 134.261 -4.337 5.548 1.00 0.00 H new ATOM 0 HB3 SER A 91 134.106 -5.972 6.161 1.00 0.00 H new ATOM 0 HG SER A 91 132.862 -4.451 7.392 1.00 0.00 H new ATOM 1335 N ARG A 92 137.608 -6.815 6.999 1.00 0.00 N ATOM 1336 CA ARG A 92 138.093 -8.076 7.546 1.00 0.00 C ATOM 1337 C ARG A 92 138.164 -8.018 9.069 1.00 0.00 C ATOM 1338 O ARG A 92 137.993 -9.030 9.748 1.00 0.00 O ATOM 1339 CB ARG A 92 139.471 -8.409 6.972 1.00 0.00 C ATOM 1340 CG ARG A 92 139.416 -9.230 5.695 1.00 0.00 C ATOM 1341 CD ARG A 92 139.022 -10.671 5.976 1.00 0.00 C ATOM 1342 NE ARG A 92 137.589 -10.891 5.797 1.00 0.00 N ATOM 1343 CZ ARG A 92 137.005 -11.048 4.612 1.00 0.00 C ATOM 1344 NH1 ARG A 92 137.727 -11.011 3.498 1.00 0.00 N ATOM 1345 NH2 ARG A 92 135.696 -11.243 4.538 1.00 0.00 N ATOM 0 H ARG A 92 138.286 -6.316 6.423 1.00 0.00 H new ATOM 0 HA ARG A 92 137.390 -8.860 7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 92 140.007 -7.481 6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 92 140.045 -8.955 7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.700 -8.784 5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 92 140.389 -9.207 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 92 139.576 -11.335 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 92 139.304 -10.932 6.996 1.00 0.00 H new ATOM 0 HE ARG A 92 137.001 -10.926 6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 92 138.735 -10.862 3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 92 137.274 -11.132 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 92 135.136 -11.273 5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 92 135.249 -11.363 3.629 1.00 0.00 H new