USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1112 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 134 ASN : amide:sc= 0.0273 K(o=-1.7,f=-7!) USER MOD Set 1.2: A 139 ASN : amide:sc= -1.74! C(o=-1.7!,f=-7.9!) USER MOD Set 2.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Set 3.1: A 52 TYR OH : rot 27:sc= 1.33 USER MOD Set 3.2: A 136 HIS : no HE2:sc= 1.03 K(o=2.4,f=-5.1!) USER MOD Set 4.1: A 30 TYR OH : rot 180:sc= 0.0937 USER MOD Set 4.2: A 127 TYR OH : rot 19:sc= 0.52 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.38 K(o=-0.38,f=-2.8) USER MOD Single : A 29 THR OG1 : rot 57:sc= 1.27 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -15:sc= 0.292 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0425) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.797 K(o=0.8,f=-1.1) USER MOD Single : A 56 MET CE :methyl -107:sc= -0.173 (180deg=-1.62) USER MOD Single : A 62 TYR OH : rot 110:sc= -0.708 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00789) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= -0.0363 (180deg=-0.285) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -141:sc= 0.977 (180deg=0.183) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc=-0.00992 (180deg=-0.14) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc=-0.000738 (180deg=-0.0567) USER MOD Single : A 90 THR OG1 : rot -9:sc= 0.314 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0.365 (180deg=0.365) USER MOD Single : A 103 THR OG1 : rot -49:sc= 0 USER MOD Single : A 107 THR OG1 : rot -151:sc= 0.505 USER MOD Single : A 110 SER OG : rot -47:sc= 0.221 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 114:sc= 0.238 USER MOD Single : A 118 THR OG1 : rot 24:sc= 0.477 USER MOD Single : A 119 CYS SG : rot -99:sc= -4.2! USER MOD Single : A 125 GLN : amide:sc= -0.552 K(o=-0.55,f=-5.1!) USER MOD Single : A 135 LYS NZ :NH3+ -145:sc= 0.72 (180deg=0.559) USER MOD Single : A 145 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.024) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 200 N ILE A 15 12.727 8.623 -16.261 1.00 0.00 N ATOM 201 CA ILE A 15 11.602 8.510 -15.328 1.00 0.00 C ATOM 202 C ILE A 15 11.665 7.149 -14.618 1.00 0.00 C ATOM 203 O ILE A 15 11.523 7.096 -13.412 1.00 0.00 O ATOM 204 CB ILE A 15 10.207 8.709 -16.043 1.00 0.00 C ATOM 205 CG1 ILE A 15 10.090 10.147 -16.659 1.00 0.00 C ATOM 206 CG2 ILE A 15 9.026 8.423 -15.078 1.00 0.00 C ATOM 207 CD1 ILE A 15 10.223 11.289 -15.660 1.00 0.00 C ATOM 0 HA ILE A 15 11.689 9.310 -14.593 1.00 0.00 H new ATOM 0 HB ILE A 15 10.151 7.986 -16.856 1.00 0.00 H new ATOM 0 HG12 ILE A 15 10.858 10.262 -17.423 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.126 10.234 -17.160 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.083 8.570 -15.604 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.087 7.394 -14.723 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.077 9.104 -14.228 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.128 12.241 -16.181 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.438 11.208 -14.908 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.198 11.236 -15.175 1.00 0.00 H new ATOM 219 N GLU A 16 11.938 6.071 -15.380 1.00 0.00 N ATOM 220 CA GLU A 16 12.112 4.705 -14.824 1.00 0.00 C ATOM 221 C GLU A 16 13.319 4.639 -13.873 1.00 0.00 C ATOM 222 O GLU A 16 13.297 3.889 -12.908 1.00 0.00 O ATOM 223 CB GLU A 16 12.331 3.667 -15.944 1.00 0.00 C ATOM 224 CG GLU A 16 11.187 3.517 -16.950 1.00 0.00 C ATOM 225 CD GLU A 16 11.537 2.487 -18.033 1.00 0.00 C ATOM 226 OE1 GLU A 16 12.223 2.848 -19.016 1.00 0.00 O ATOM 227 OE2 GLU A 16 11.184 1.300 -17.874 1.00 0.00 O ATOM 0 H GLU A 16 12.045 6.117 -16.393 1.00 0.00 H new ATOM 0 HA GLU A 16 11.197 4.474 -14.279 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.236 3.935 -16.489 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.513 2.696 -15.483 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.279 3.209 -16.431 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.978 4.481 -17.414 1.00 0.00 H new ATOM 234 N LYS A 17 14.371 5.413 -14.196 1.00 0.00 N ATOM 235 CA LYS A 17 15.604 5.501 -13.389 1.00 0.00 C ATOM 236 C LYS A 17 15.297 6.057 -11.989 1.00 0.00 C ATOM 237 O LYS A 17 15.539 5.389 -10.973 1.00 0.00 O ATOM 238 CB LYS A 17 16.620 6.428 -14.100 1.00 0.00 C ATOM 239 CG LYS A 17 17.956 6.650 -13.341 1.00 0.00 C ATOM 240 CD LYS A 17 18.697 7.924 -13.812 1.00 0.00 C ATOM 241 CE LYS A 17 19.007 7.926 -15.320 1.00 0.00 C ATOM 242 NZ LYS A 17 19.558 9.231 -15.758 1.00 0.00 N ATOM 0 H LYS A 17 14.391 6.000 -15.030 1.00 0.00 H new ATOM 0 HA LYS A 17 16.024 4.501 -13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 17 16.843 6.010 -15.082 1.00 0.00 H new ATOM 0 HB3 LYS A 17 16.149 7.397 -14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 17 17.756 6.724 -12.272 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.601 5.783 -13.485 1.00 0.00 H new ATOM 0 HD2 LYS A 17 18.092 8.798 -13.571 1.00 0.00 H new ATOM 0 HD3 LYS A 17 19.630 8.020 -13.256 1.00 0.00 H new ATOM 0 HE2 LYS A 17 19.720 7.134 -15.547 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.098 7.707 -15.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.756 9.199 -16.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.867 9.983 -15.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 20.438 9.427 -15.240 1.00 0.00 H new ATOM 256 N GLN A 18 14.733 7.284 -11.967 1.00 0.00 N ATOM 257 CA GLN A 18 14.418 7.999 -10.722 1.00 0.00 C ATOM 258 C GLN A 18 13.282 7.292 -9.962 1.00 0.00 C ATOM 259 O GLN A 18 13.254 7.314 -8.741 1.00 0.00 O ATOM 260 CB GLN A 18 14.070 9.478 -11.008 1.00 0.00 C ATOM 261 CG GLN A 18 12.829 9.710 -11.881 1.00 0.00 C ATOM 262 CD GLN A 18 12.578 11.185 -12.184 1.00 0.00 C ATOM 263 OE1 GLN A 18 11.882 11.874 -11.435 1.00 0.00 O ATOM 264 NE2 GLN A 18 13.170 11.686 -13.261 1.00 0.00 N ATOM 0 H GLN A 18 14.486 7.801 -12.811 1.00 0.00 H new ATOM 0 HA GLN A 18 15.303 7.986 -10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.923 9.989 -10.056 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.926 9.947 -11.493 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.945 9.167 -12.819 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.956 9.295 -11.378 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.738 11.084 -13.857 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.057 12.673 -13.493 1.00 0.00 H new ATOM 273 N PHE A 19 12.376 6.641 -10.715 1.00 0.00 N ATOM 274 CA PHE A 19 11.280 5.826 -10.163 1.00 0.00 C ATOM 275 C PHE A 19 11.841 4.590 -9.456 1.00 0.00 C ATOM 276 O PHE A 19 11.412 4.274 -8.357 1.00 0.00 O ATOM 277 CB PHE A 19 10.295 5.413 -11.292 1.00 0.00 C ATOM 278 CG PHE A 19 9.266 4.345 -10.924 1.00 0.00 C ATOM 279 CD1 PHE A 19 8.278 4.598 -9.976 1.00 0.00 C ATOM 280 CD2 PHE A 19 9.298 3.083 -11.526 1.00 0.00 C ATOM 281 CE1 PHE A 19 7.355 3.624 -9.648 1.00 0.00 C ATOM 282 CE2 PHE A 19 8.372 2.115 -11.195 1.00 0.00 C ATOM 283 CZ PHE A 19 7.399 2.388 -10.256 1.00 0.00 C ATOM 0 H PHE A 19 12.385 6.667 -11.735 1.00 0.00 H new ATOM 0 HA PHE A 19 10.734 6.421 -9.431 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.762 6.303 -11.626 1.00 0.00 H new ATOM 0 HB3 PHE A 19 10.876 5.052 -12.141 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.233 5.563 -9.493 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.058 2.863 -12.261 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.594 3.832 -8.910 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.409 1.146 -11.670 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.671 1.633 -9.997 1.00 0.00 H new ATOM 293 N ALA A 20 12.820 3.923 -10.094 1.00 0.00 N ATOM 294 CA ALA A 20 13.423 2.688 -9.565 1.00 0.00 C ATOM 295 C ALA A 20 14.080 2.978 -8.225 1.00 0.00 C ATOM 296 O ALA A 20 13.715 2.370 -7.232 1.00 0.00 O ATOM 297 CB ALA A 20 14.440 2.093 -10.551 1.00 0.00 C ATOM 0 H ALA A 20 13.213 4.224 -10.986 1.00 0.00 H new ATOM 0 HA ALA A 20 12.634 1.948 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.866 1.183 -10.129 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.941 1.858 -11.491 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.236 2.815 -10.733 1.00 0.00 H new ATOM 303 N VAL A 21 14.970 3.989 -8.199 1.00 0.00 N ATOM 304 CA VAL A 21 15.726 4.332 -6.986 1.00 0.00 C ATOM 305 C VAL A 21 14.796 4.860 -5.866 1.00 0.00 C ATOM 306 O VAL A 21 14.862 4.367 -4.751 1.00 0.00 O ATOM 307 CB VAL A 21 16.916 5.337 -7.270 1.00 0.00 C ATOM 308 CG1 VAL A 21 16.434 6.656 -7.916 1.00 0.00 C ATOM 309 CG2 VAL A 21 17.735 5.616 -5.980 1.00 0.00 C ATOM 0 H VAL A 21 15.180 4.579 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 21 16.180 3.405 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 21 17.571 4.851 -7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.289 7.310 -8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.944 6.439 -8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.728 7.151 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 21 18.545 6.309 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 21 17.084 6.053 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 21 18.152 4.681 -5.604 1.00 0.00 H new ATOM 319 N VAL A 22 13.887 5.806 -6.184 1.00 0.00 N ATOM 320 CA VAL A 22 13.050 6.472 -5.156 1.00 0.00 C ATOM 321 C VAL A 22 12.010 5.490 -4.556 1.00 0.00 C ATOM 322 O VAL A 22 11.778 5.480 -3.347 1.00 0.00 O ATOM 323 CB VAL A 22 12.350 7.783 -5.716 1.00 0.00 C ATOM 324 CG1 VAL A 22 11.053 7.497 -6.526 1.00 0.00 C ATOM 325 CG2 VAL A 22 12.097 8.814 -4.589 1.00 0.00 C ATOM 0 H VAL A 22 13.713 6.126 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 22 13.717 6.785 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 22 13.055 8.218 -6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.629 8.437 -6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.290 6.864 -7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.330 6.989 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.617 9.699 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.449 8.373 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.047 9.097 -4.135 1.00 0.00 H new ATOM 335 N ALA A 23 11.434 4.631 -5.415 1.00 0.00 N ATOM 336 CA ALA A 23 10.391 3.677 -5.007 1.00 0.00 C ATOM 337 C ALA A 23 10.995 2.493 -4.252 1.00 0.00 C ATOM 338 O ALA A 23 10.398 2.010 -3.290 1.00 0.00 O ATOM 339 CB ALA A 23 9.588 3.185 -6.218 1.00 0.00 C ATOM 0 H ALA A 23 11.677 4.579 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 23 9.710 4.201 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.824 2.481 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.111 4.034 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.257 2.690 -6.921 1.00 0.00 H new ATOM 345 N VAL A 24 12.191 2.032 -4.690 1.00 0.00 N ATOM 346 CA VAL A 24 12.861 0.876 -4.072 1.00 0.00 C ATOM 347 C VAL A 24 13.468 1.283 -2.722 1.00 0.00 C ATOM 348 O VAL A 24 13.450 0.486 -1.793 1.00 0.00 O ATOM 349 CB VAL A 24 13.955 0.216 -5.012 1.00 0.00 C ATOM 350 CG1 VAL A 24 15.304 0.990 -5.021 1.00 0.00 C ATOM 351 CG2 VAL A 24 14.173 -1.278 -4.672 1.00 0.00 C ATOM 0 H VAL A 24 12.706 2.446 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 24 12.101 0.111 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 24 13.555 0.281 -6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 24 16.008 0.486 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 24 15.137 2.007 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 24 15.713 1.020 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 24 14.929 -1.696 -5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.507 -1.371 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.237 -1.821 -4.801 1.00 0.00 H new ATOM 361 N GLU A 25 13.971 2.543 -2.625 1.00 0.00 N ATOM 362 CA GLU A 25 14.529 3.084 -1.374 1.00 0.00 C ATOM 363 C GLU A 25 13.430 3.238 -0.334 1.00 0.00 C ATOM 364 O GLU A 25 13.582 2.755 0.764 1.00 0.00 O ATOM 365 CB GLU A 25 15.283 4.432 -1.580 1.00 0.00 C ATOM 366 CG GLU A 25 16.682 4.283 -2.215 1.00 0.00 C ATOM 367 CD GLU A 25 17.662 3.453 -1.356 1.00 0.00 C ATOM 368 OE1 GLU A 25 17.711 2.211 -1.503 1.00 0.00 O ATOM 369 OE2 GLU A 25 18.399 4.043 -0.530 1.00 0.00 O ATOM 0 H GLU A 25 13.997 3.198 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 25 15.268 2.367 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.677 5.082 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.385 4.930 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.580 3.813 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 25 17.105 5.274 -2.380 1.00 0.00 H new ATOM 376 N GLN A 26 12.309 3.885 -0.705 1.00 0.00 N ATOM 377 CA GLN A 26 11.154 4.038 0.206 1.00 0.00 C ATOM 378 C GLN A 26 10.590 2.665 0.625 1.00 0.00 C ATOM 379 O GLN A 26 10.359 2.446 1.813 1.00 0.00 O ATOM 380 CB GLN A 26 10.057 4.977 -0.400 1.00 0.00 C ATOM 381 CG GLN A 26 10.242 6.479 -0.047 1.00 0.00 C ATOM 382 CD GLN A 26 11.581 7.083 -0.498 1.00 0.00 C ATOM 383 OE1 GLN A 26 11.691 7.608 -1.598 1.00 0.00 O ATOM 384 NE2 GLN A 26 12.609 6.996 0.342 1.00 0.00 N ATOM 0 H GLN A 26 12.177 4.309 -1.623 1.00 0.00 H new ATOM 0 HA GLN A 26 11.508 4.527 1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.058 4.867 -1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.079 4.650 -0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.431 7.048 -0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.150 6.599 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.487 6.553 1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.519 7.373 0.075 1.00 0.00 H new ATOM 393 N ALA A 27 10.461 1.731 -0.341 1.00 0.00 N ATOM 394 CA ALA A 27 9.937 0.364 -0.088 1.00 0.00 C ATOM 395 C ALA A 27 10.820 -0.396 0.923 1.00 0.00 C ATOM 396 O ALA A 27 10.311 -0.968 1.908 1.00 0.00 O ATOM 397 CB ALA A 27 9.821 -0.429 -1.402 1.00 0.00 C ATOM 0 H ALA A 27 10.715 1.898 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 27 8.941 0.467 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.435 -1.427 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.141 0.087 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.804 -0.510 -1.866 1.00 0.00 H new ATOM 403 N GLU A 28 12.153 -0.362 0.696 1.00 0.00 N ATOM 404 CA GLU A 28 13.118 -1.023 1.586 1.00 0.00 C ATOM 405 C GLU A 28 13.252 -0.245 2.894 1.00 0.00 C ATOM 406 O GLU A 28 13.614 -0.826 3.888 1.00 0.00 O ATOM 407 CB GLU A 28 14.507 -1.263 0.899 1.00 0.00 C ATOM 408 CG GLU A 28 15.383 -0.017 0.571 1.00 0.00 C ATOM 409 CD GLU A 28 16.166 0.580 1.762 1.00 0.00 C ATOM 410 OE1 GLU A 28 17.044 -0.116 2.319 1.00 0.00 O ATOM 411 OE2 GLU A 28 15.925 1.745 2.133 1.00 0.00 O ATOM 0 H GLU A 28 12.579 0.118 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 28 12.728 -2.014 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.090 -1.921 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.331 -1.802 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.094 -0.290 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.739 0.759 0.157 1.00 0.00 H new ATOM 418 N THR A 29 12.946 1.070 2.888 1.00 0.00 N ATOM 419 CA THR A 29 12.963 1.897 4.109 1.00 0.00 C ATOM 420 C THR A 29 11.880 1.404 5.068 1.00 0.00 C ATOM 421 O THR A 29 12.183 1.130 6.210 1.00 0.00 O ATOM 422 CB THR A 29 12.797 3.429 3.812 1.00 0.00 C ATOM 423 OG1 THR A 29 13.949 3.909 3.112 1.00 0.00 O ATOM 424 CG2 THR A 29 12.609 4.283 5.077 1.00 0.00 C ATOM 0 H THR A 29 12.683 1.582 2.046 1.00 0.00 H new ATOM 0 HA THR A 29 13.944 1.787 4.572 1.00 0.00 H new ATOM 0 HB THR A 29 11.892 3.527 3.212 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.074 3.388 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.501 5.331 4.796 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.715 3.955 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.478 4.169 5.725 1.00 0.00 H new ATOM 432 N TYR A 30 10.638 1.213 4.563 1.00 0.00 N ATOM 433 CA TYR A 30 9.514 0.658 5.365 1.00 0.00 C ATOM 434 C TYR A 30 9.903 -0.719 5.962 1.00 0.00 C ATOM 435 O TYR A 30 9.587 -1.021 7.116 1.00 0.00 O ATOM 436 CB TYR A 30 8.225 0.532 4.503 1.00 0.00 C ATOM 437 CG TYR A 30 7.690 1.872 3.949 1.00 0.00 C ATOM 438 CD1 TYR A 30 7.296 2.906 4.805 1.00 0.00 C ATOM 439 CD2 TYR A 30 7.570 2.098 2.574 1.00 0.00 C ATOM 440 CE1 TYR A 30 6.810 4.106 4.308 1.00 0.00 C ATOM 441 CE2 TYR A 30 7.090 3.297 2.075 1.00 0.00 C ATOM 442 CZ TYR A 30 6.711 4.296 2.943 1.00 0.00 C ATOM 443 OH TYR A 30 6.224 5.489 2.444 1.00 0.00 O ATOM 0 H TYR A 30 10.385 1.435 3.600 1.00 0.00 H new ATOM 0 HA TYR A 30 9.309 1.348 6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.426 -0.138 3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.445 0.065 5.105 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.372 2.767 5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 30 7.859 1.318 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.509 4.891 4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.013 3.448 1.008 1.00 0.00 H new ATOM 0 HH TYR A 30 6.221 5.457 1.465 1.00 0.00 H new ATOM 453 N TRP A 31 10.642 -1.512 5.162 1.00 0.00 N ATOM 454 CA TRP A 31 11.206 -2.809 5.591 1.00 0.00 C ATOM 455 C TRP A 31 12.222 -2.614 6.756 1.00 0.00 C ATOM 456 O TRP A 31 12.035 -3.161 7.835 1.00 0.00 O ATOM 457 CB TRP A 31 11.868 -3.501 4.360 1.00 0.00 C ATOM 458 CG TRP A 31 12.411 -4.896 4.607 1.00 0.00 C ATOM 459 CD1 TRP A 31 13.625 -5.231 5.139 1.00 0.00 C ATOM 460 CD2 TRP A 31 11.758 -6.136 4.306 1.00 0.00 C ATOM 461 NE1 TRP A 31 13.749 -6.591 5.208 1.00 0.00 N ATOM 462 CE2 TRP A 31 12.626 -7.169 4.699 1.00 0.00 C ATOM 463 CE3 TRP A 31 10.519 -6.470 3.744 1.00 0.00 C ATOM 464 CZ2 TRP A 31 12.297 -8.513 4.552 1.00 0.00 C ATOM 465 CZ3 TRP A 31 10.195 -7.804 3.595 1.00 0.00 C ATOM 466 CH2 TRP A 31 11.082 -8.812 4.000 1.00 0.00 C ATOM 0 H TRP A 31 10.866 -1.271 4.196 1.00 0.00 H new ATOM 0 HA TRP A 31 10.410 -3.449 5.971 1.00 0.00 H new ATOM 0 HB2 TRP A 31 11.133 -3.553 3.556 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.683 -2.870 4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.377 -4.524 5.458 1.00 0.00 H new ATOM 0 HE1 TRP A 31 14.555 -7.093 5.581 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.830 -5.699 3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.977 -9.292 4.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.244 -8.075 3.160 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.799 -9.847 3.873 1.00 0.00 H new ATOM 477 N LYS A 32 13.254 -1.776 6.532 1.00 0.00 N ATOM 478 CA LYS A 32 14.405 -1.602 7.461 1.00 0.00 C ATOM 479 C LYS A 32 13.988 -0.879 8.759 1.00 0.00 C ATOM 480 O LYS A 32 14.614 -1.061 9.810 1.00 0.00 O ATOM 481 CB LYS A 32 15.562 -0.821 6.771 1.00 0.00 C ATOM 482 CG LYS A 32 16.121 -1.469 5.476 1.00 0.00 C ATOM 483 CD LYS A 32 16.812 -2.835 5.682 1.00 0.00 C ATOM 484 CE LYS A 32 18.135 -2.727 6.455 1.00 0.00 C ATOM 485 NZ LYS A 32 18.869 -4.015 6.488 1.00 0.00 N ATOM 0 H LYS A 32 13.319 -1.194 5.697 1.00 0.00 H new ATOM 0 HA LYS A 32 14.756 -2.600 7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.209 0.182 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.379 -0.710 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.303 -1.595 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.834 -0.782 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.137 -3.500 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.001 -3.291 4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.763 -1.964 5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.933 -2.399 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.755 -3.896 7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.282 -4.737 6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.086 -4.316 5.516 1.00 0.00 H new ATOM 499 N LEU A 33 12.924 -0.064 8.671 1.00 0.00 N ATOM 500 CA LEU A 33 12.345 0.625 9.830 1.00 0.00 C ATOM 501 C LEU A 33 11.682 -0.407 10.741 1.00 0.00 C ATOM 502 O LEU A 33 11.884 -0.383 11.945 1.00 0.00 O ATOM 503 CB LEU A 33 11.306 1.701 9.407 1.00 0.00 C ATOM 504 CG LEU A 33 11.839 2.948 8.636 1.00 0.00 C ATOM 505 CD1 LEU A 33 10.690 3.932 8.307 1.00 0.00 C ATOM 506 CD2 LEU A 33 12.988 3.645 9.392 1.00 0.00 C ATOM 0 H LEU A 33 12.443 0.134 7.794 1.00 0.00 H new ATOM 0 HA LEU A 33 13.148 1.139 10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.553 1.217 8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.799 2.052 10.306 1.00 0.00 H new ATOM 0 HG LEU A 33 12.253 2.595 7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.090 4.792 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.947 3.430 7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.223 4.268 9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.329 4.508 8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.634 3.974 10.369 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.814 2.946 9.522 1.00 0.00 H new ATOM 518 N LEU A 34 10.901 -1.320 10.134 1.00 0.00 N ATOM 519 CA LEU A 34 10.238 -2.416 10.865 1.00 0.00 C ATOM 520 C LEU A 34 11.274 -3.382 11.490 1.00 0.00 C ATOM 521 O LEU A 34 11.127 -3.758 12.649 1.00 0.00 O ATOM 522 CB LEU A 34 9.220 -3.172 9.949 1.00 0.00 C ATOM 523 CG LEU A 34 7.732 -2.662 9.967 1.00 0.00 C ATOM 524 CD1 LEU A 34 7.622 -1.154 9.647 1.00 0.00 C ATOM 525 CD2 LEU A 34 6.847 -3.506 9.013 1.00 0.00 C ATOM 0 H LEU A 34 10.713 -1.319 9.132 1.00 0.00 H new ATOM 0 HA LEU A 34 9.672 -1.975 11.685 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.584 -3.121 8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.222 -4.224 10.236 1.00 0.00 H new ATOM 0 HG LEU A 34 7.361 -2.793 10.984 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.575 -0.852 9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.182 -0.583 10.388 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.031 -0.962 8.655 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.823 -3.134 9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.232 -3.429 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.864 -4.549 9.329 1.00 0.00 H new ATOM 537 N THR A 35 12.349 -3.730 10.743 1.00 0.00 N ATOM 538 CA THR A 35 13.396 -4.668 11.235 1.00 0.00 C ATOM 539 C THR A 35 14.107 -4.125 12.493 1.00 0.00 C ATOM 540 O THR A 35 14.652 -4.898 13.291 1.00 0.00 O ATOM 541 CB THR A 35 14.469 -5.000 10.142 1.00 0.00 C ATOM 542 OG1 THR A 35 15.183 -3.820 9.735 1.00 0.00 O ATOM 543 CG2 THR A 35 13.851 -5.661 8.903 1.00 0.00 C ATOM 0 H THR A 35 12.517 -3.379 9.800 1.00 0.00 H new ATOM 0 HA THR A 35 12.868 -5.587 11.489 1.00 0.00 H new ATOM 0 HB THR A 35 15.161 -5.705 10.603 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.701 -3.024 10.042 1.00 0.00 H new ATOM 0 HG21 THR A 35 14.634 -5.872 8.174 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.364 -6.592 9.192 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.115 -4.989 8.461 1.00 0.00 H new ATOM 551 N SER A 36 14.094 -2.789 12.653 1.00 0.00 N ATOM 552 CA SER A 36 14.658 -2.112 13.825 1.00 0.00 C ATOM 553 C SER A 36 13.592 -1.996 14.936 1.00 0.00 C ATOM 554 O SER A 36 13.726 -2.595 16.005 1.00 0.00 O ATOM 555 CB SER A 36 15.183 -0.712 13.418 1.00 0.00 C ATOM 556 OG SER A 36 15.798 -0.042 14.512 1.00 0.00 O ATOM 0 H SER A 36 13.690 -2.150 11.968 1.00 0.00 H new ATOM 0 HA SER A 36 15.492 -2.697 14.213 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.901 -0.815 12.604 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.357 -0.109 13.040 1.00 0.00 H new ATOM 0 HG SER A 36 16.119 0.836 14.219 1.00 0.00 H new ATOM 562 N VAL A 37 12.532 -1.223 14.657 1.00 0.00 N ATOM 563 CA VAL A 37 11.483 -0.861 15.636 1.00 0.00 C ATOM 564 C VAL A 37 10.131 -1.520 15.248 1.00 0.00 C ATOM 565 O VAL A 37 9.887 -1.751 14.064 1.00 0.00 O ATOM 566 CB VAL A 37 11.333 0.712 15.726 1.00 0.00 C ATOM 567 CG1 VAL A 37 12.666 1.380 16.137 1.00 0.00 C ATOM 568 CG2 VAL A 37 10.795 1.329 14.413 1.00 0.00 C ATOM 0 H VAL A 37 12.372 -0.823 13.732 1.00 0.00 H new ATOM 0 HA VAL A 37 11.777 -1.234 16.617 1.00 0.00 H new ATOM 0 HB VAL A 37 10.594 0.910 16.502 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.530 2.460 16.190 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.975 1.005 17.112 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.433 1.146 15.398 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.710 2.410 14.527 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.481 1.103 13.597 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.814 0.910 14.189 1.00 0.00 H new ATOM 578 N PRO A 38 9.196 -1.781 16.231 1.00 0.00 N ATOM 579 CA PRO A 38 7.952 -2.563 15.968 1.00 0.00 C ATOM 580 C PRO A 38 6.845 -1.770 15.222 1.00 0.00 C ATOM 581 O PRO A 38 5.719 -2.250 15.094 1.00 0.00 O ATOM 582 CB PRO A 38 7.510 -2.976 17.393 1.00 0.00 C ATOM 583 CG PRO A 38 7.959 -1.838 18.263 1.00 0.00 C ATOM 584 CD PRO A 38 9.261 -1.336 17.657 1.00 0.00 C ATOM 0 HA PRO A 38 8.132 -3.401 15.295 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.431 -3.119 17.449 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.972 -3.915 17.697 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.210 -1.047 18.288 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.109 -2.168 19.291 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.344 -0.252 17.733 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.127 -1.758 18.167 1.00 0.00 H new ATOM 592 N GLY A 39 7.173 -0.561 14.744 1.00 0.00 N ATOM 593 CA GLY A 39 6.232 0.257 13.967 1.00 0.00 C ATOM 594 C GLY A 39 5.233 1.046 14.813 1.00 0.00 C ATOM 595 O GLY A 39 4.369 1.736 14.263 1.00 0.00 O ATOM 0 H GLY A 39 8.086 -0.127 14.883 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.799 0.955 13.351 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.681 -0.392 13.287 1.00 0.00 H new ATOM 599 N SER A 40 5.373 0.967 16.151 1.00 0.00 N ATOM 600 CA SER A 40 4.479 1.654 17.108 1.00 0.00 C ATOM 601 C SER A 40 4.661 3.189 17.054 1.00 0.00 C ATOM 602 O SER A 40 3.702 3.944 17.230 1.00 0.00 O ATOM 603 CB SER A 40 4.746 1.128 18.533 1.00 0.00 C ATOM 604 OG SER A 40 3.921 1.763 19.503 1.00 0.00 O ATOM 0 H SER A 40 6.110 0.424 16.601 1.00 0.00 H new ATOM 0 HA SER A 40 3.447 1.439 16.829 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.573 0.052 18.560 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.793 1.289 18.788 1.00 0.00 H new ATOM 0 HG SER A 40 4.121 1.400 20.391 1.00 0.00 H new ATOM 610 N LYS A 41 5.908 3.628 16.806 1.00 0.00 N ATOM 611 CA LYS A 41 6.259 5.062 16.686 1.00 0.00 C ATOM 612 C LYS A 41 6.235 5.511 15.212 1.00 0.00 C ATOM 613 O LYS A 41 6.315 6.708 14.921 1.00 0.00 O ATOM 614 CB LYS A 41 7.652 5.364 17.323 1.00 0.00 C ATOM 615 CG LYS A 41 8.864 4.580 16.733 1.00 0.00 C ATOM 616 CD LYS A 41 9.078 3.179 17.364 1.00 0.00 C ATOM 617 CE LYS A 41 9.453 3.235 18.857 1.00 0.00 C ATOM 618 NZ LYS A 41 10.742 3.949 19.100 1.00 0.00 N ATOM 0 H LYS A 41 6.704 3.002 16.682 1.00 0.00 H new ATOM 0 HA LYS A 41 5.508 5.630 17.235 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.851 6.431 17.220 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.594 5.152 18.391 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.721 4.465 15.659 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.769 5.172 16.872 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.167 2.592 17.247 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.865 2.658 16.818 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.656 3.733 19.409 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.525 2.220 19.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.990 3.885 20.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.494 3.512 18.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.641 4.949 18.831 1.00 0.00 H new ATOM 632 N LEU A 42 6.125 4.538 14.287 1.00 0.00 N ATOM 633 CA LEU A 42 6.079 4.800 12.839 1.00 0.00 C ATOM 634 C LEU A 42 4.639 5.052 12.384 1.00 0.00 C ATOM 635 O LEU A 42 3.683 4.628 13.037 1.00 0.00 O ATOM 636 CB LEU A 42 6.675 3.611 12.050 1.00 0.00 C ATOM 637 CG LEU A 42 8.155 3.242 12.373 1.00 0.00 C ATOM 638 CD1 LEU A 42 8.573 1.977 11.598 1.00 0.00 C ATOM 639 CD2 LEU A 42 9.119 4.424 12.085 1.00 0.00 C ATOM 0 H LEU A 42 6.066 3.548 14.525 1.00 0.00 H new ATOM 0 HA LEU A 42 6.675 5.690 12.639 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.055 2.733 12.234 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.602 3.835 10.986 1.00 0.00 H new ATOM 0 HG LEU A 42 8.223 3.031 13.440 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.609 1.732 11.834 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.929 1.146 11.884 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.478 2.158 10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.140 4.127 12.323 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.056 4.696 11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.838 5.280 12.698 1.00 0.00 H new ATOM 651 N ARG A 43 4.523 5.734 11.246 1.00 0.00 N ATOM 652 CA ARG A 43 3.245 6.113 10.626 1.00 0.00 C ATOM 653 C ARG A 43 3.453 6.221 9.113 1.00 0.00 C ATOM 654 O ARG A 43 4.587 6.413 8.645 1.00 0.00 O ATOM 655 CB ARG A 43 2.704 7.470 11.188 1.00 0.00 C ATOM 656 CG ARG A 43 3.667 8.687 11.046 1.00 0.00 C ATOM 657 CD ARG A 43 4.802 8.684 12.091 1.00 0.00 C ATOM 658 NE ARG A 43 5.920 9.560 11.706 1.00 0.00 N ATOM 659 CZ ARG A 43 7.183 9.437 12.147 1.00 0.00 C ATOM 660 NH1 ARG A 43 7.501 8.545 13.083 1.00 0.00 N ATOM 661 NH2 ARG A 43 8.121 10.230 11.671 1.00 0.00 N ATOM 0 H ARG A 43 5.333 6.049 10.712 1.00 0.00 H new ATOM 0 HA ARG A 43 2.504 5.349 10.859 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.770 7.707 10.679 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.467 7.337 12.244 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.101 8.685 10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.094 9.609 11.143 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.406 9.006 13.054 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.170 7.666 12.222 1.00 0.00 H new ATOM 0 HE ARG A 43 5.721 10.319 11.054 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.780 7.941 13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.465 8.466 13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.887 10.934 10.971 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.081 10.140 12.003 1.00 0.00 H new ATOM 675 N LEU A 44 2.364 6.087 8.360 1.00 0.00 N ATOM 676 CA LEU A 44 2.374 6.210 6.902 1.00 0.00 C ATOM 677 C LEU A 44 2.134 7.687 6.536 1.00 0.00 C ATOM 678 O LEU A 44 2.874 8.274 5.736 1.00 0.00 O ATOM 679 CB LEU A 44 1.297 5.270 6.276 1.00 0.00 C ATOM 680 CG LEU A 44 1.498 3.719 6.468 1.00 0.00 C ATOM 681 CD1 LEU A 44 2.902 3.259 6.024 1.00 0.00 C ATOM 682 CD2 LEU A 44 1.181 3.254 7.911 1.00 0.00 C ATOM 0 H LEU A 44 1.441 5.888 8.747 1.00 0.00 H new ATOM 0 HA LEU A 44 3.338 5.902 6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.328 5.540 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.250 5.475 5.206 1.00 0.00 H new ATOM 0 HG LEU A 44 0.773 3.235 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.997 2.184 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.045 3.492 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.658 3.776 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.336 2.178 7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.840 3.767 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.144 3.490 8.150 1.00 0.00 H new ATOM 694 N THR A 45 1.096 8.271 7.162 1.00 0.00 N ATOM 695 CA THR A 45 0.760 9.713 7.086 1.00 0.00 C ATOM 696 C THR A 45 0.110 10.145 8.414 1.00 0.00 C ATOM 697 O THR A 45 0.108 9.384 9.385 1.00 0.00 O ATOM 698 CB THR A 45 -0.221 10.033 5.892 1.00 0.00 C ATOM 699 OG1 THR A 45 -1.308 9.097 5.885 1.00 0.00 O ATOM 700 CG2 THR A 45 0.476 10.027 4.526 1.00 0.00 C ATOM 0 H THR A 45 0.450 7.745 7.750 1.00 0.00 H new ATOM 0 HA THR A 45 1.683 10.266 6.909 1.00 0.00 H new ATOM 0 HB THR A 45 -0.595 11.044 6.055 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.913 9.304 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.251 10.254 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.265 10.779 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.910 9.044 4.343 1.00 0.00 H new ATOM 708 N LYS A 46 -0.421 11.379 8.446 1.00 0.00 N ATOM 709 CA LYS A 46 -1.256 11.873 9.563 1.00 0.00 C ATOM 710 C LYS A 46 -2.709 11.379 9.412 1.00 0.00 C ATOM 711 O LYS A 46 -3.478 11.362 10.376 1.00 0.00 O ATOM 712 CB LYS A 46 -1.215 13.425 9.609 1.00 0.00 C ATOM 713 CG LYS A 46 0.201 14.018 9.772 1.00 0.00 C ATOM 714 CD LYS A 46 0.185 15.560 9.882 1.00 0.00 C ATOM 715 CE LYS A 46 1.584 16.154 10.123 1.00 0.00 C ATOM 716 NZ LYS A 46 1.532 17.628 10.294 1.00 0.00 N ATOM 0 H LYS A 46 -0.286 12.064 7.702 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.857 11.481 10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.657 13.816 8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.838 13.769 10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.668 13.598 10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.815 13.723 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.231 15.981 8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.476 15.855 10.697 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.024 15.700 11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.234 15.908 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.493 17.993 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.135 18.063 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.932 17.862 11.111 1.00 0.00 H new ATOM 730 N PHE A 47 -3.059 10.975 8.185 1.00 0.00 N ATOM 731 CA PHE A 47 -4.431 10.602 7.799 1.00 0.00 C ATOM 732 C PHE A 47 -4.517 9.096 7.555 1.00 0.00 C ATOM 733 O PHE A 47 -5.518 8.611 7.051 1.00 0.00 O ATOM 734 CB PHE A 47 -4.831 11.379 6.510 1.00 0.00 C ATOM 735 CG PHE A 47 -4.470 12.858 6.569 1.00 0.00 C ATOM 736 CD1 PHE A 47 -5.323 13.784 7.155 1.00 0.00 C ATOM 737 CD2 PHE A 47 -3.246 13.307 6.069 1.00 0.00 C ATOM 738 CE1 PHE A 47 -4.965 15.115 7.237 1.00 0.00 C ATOM 739 CE2 PHE A 47 -2.891 14.635 6.144 1.00 0.00 C ATOM 740 CZ PHE A 47 -3.749 15.541 6.731 1.00 0.00 C ATOM 0 H PHE A 47 -2.390 10.896 7.419 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.118 10.861 8.605 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.338 10.924 5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.905 11.279 6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.275 13.460 7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.566 12.601 5.616 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.636 15.826 7.697 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.944 14.966 5.744 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.472 16.583 6.796 1.00 0.00 H new ATOM 750 N ASP A 48 -3.467 8.361 7.935 1.00 0.00 N ATOM 751 CA ASP A 48 -3.340 6.929 7.623 1.00 0.00 C ATOM 752 C ASP A 48 -4.428 6.080 8.314 1.00 0.00 C ATOM 753 O ASP A 48 -4.954 5.134 7.721 1.00 0.00 O ATOM 754 CB ASP A 48 -1.907 6.420 7.961 1.00 0.00 C ATOM 755 CG ASP A 48 -1.428 6.599 9.418 1.00 0.00 C ATOM 756 OD1 ASP A 48 -2.078 7.309 10.220 1.00 0.00 O ATOM 757 OD2 ASP A 48 -0.354 6.055 9.742 1.00 0.00 O ATOM 0 H ASP A 48 -2.682 8.738 8.466 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.497 6.811 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.857 5.359 7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.202 6.932 7.307 1.00 0.00 H new ATOM 762 N ASP A 49 -4.801 6.466 9.540 1.00 0.00 N ATOM 763 CA ASP A 49 -5.808 5.739 10.331 1.00 0.00 C ATOM 764 C ASP A 49 -7.195 5.808 9.658 1.00 0.00 C ATOM 765 O ASP A 49 -7.909 4.798 9.595 1.00 0.00 O ATOM 766 CB ASP A 49 -5.871 6.299 11.768 1.00 0.00 C ATOM 767 CG ASP A 49 -6.725 5.436 12.709 1.00 0.00 C ATOM 768 OD1 ASP A 49 -6.280 4.327 13.059 1.00 0.00 O ATOM 769 OD2 ASP A 49 -7.823 5.863 13.117 1.00 0.00 O ATOM 0 H ASP A 49 -4.418 7.285 10.012 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.511 4.691 10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.860 6.373 12.168 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.278 7.310 11.741 1.00 0.00 H new ATOM 774 N GLU A 50 -7.547 7.002 9.130 1.00 0.00 N ATOM 775 CA GLU A 50 -8.822 7.196 8.416 1.00 0.00 C ATOM 776 C GLU A 50 -8.769 6.521 7.029 1.00 0.00 C ATOM 777 O GLU A 50 -9.798 6.091 6.533 1.00 0.00 O ATOM 778 CB GLU A 50 -9.218 8.699 8.278 1.00 0.00 C ATOM 779 CG GLU A 50 -8.377 9.506 7.272 1.00 0.00 C ATOM 780 CD GLU A 50 -8.891 10.926 7.016 1.00 0.00 C ATOM 781 OE1 GLU A 50 -9.798 11.094 6.171 1.00 0.00 O ATOM 782 OE2 GLU A 50 -8.395 11.889 7.648 1.00 0.00 O ATOM 0 H GLU A 50 -6.967 7.839 9.186 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.597 6.723 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.265 8.757 7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.137 9.171 9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.352 9.564 7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.348 8.967 6.325 1.00 0.00 H new ATOM 789 N ILE A 51 -7.563 6.435 6.403 1.00 0.00 N ATOM 790 CA ILE A 51 -7.395 5.713 5.112 1.00 0.00 C ATOM 791 C ILE A 51 -7.806 4.235 5.268 1.00 0.00 C ATOM 792 O ILE A 51 -8.484 3.688 4.398 1.00 0.00 O ATOM 793 CB ILE A 51 -5.935 5.828 4.516 1.00 0.00 C ATOM 794 CG1 ILE A 51 -5.580 7.318 4.200 1.00 0.00 C ATOM 795 CG2 ILE A 51 -5.761 4.950 3.240 1.00 0.00 C ATOM 796 CD1 ILE A 51 -4.138 7.559 3.770 1.00 0.00 C ATOM 0 H ILE A 51 -6.705 6.850 6.766 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.055 6.199 4.394 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.246 5.455 5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.243 7.674 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.785 7.920 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.745 5.057 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.948 3.905 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.469 5.273 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.990 8.621 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.463 7.239 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.928 6.990 2.865 1.00 0.00 H new ATOM 808 N TYR A 52 -7.427 3.633 6.414 1.00 0.00 N ATOM 809 CA TYR A 52 -7.866 2.278 6.800 1.00 0.00 C ATOM 810 C TYR A 52 -9.406 2.207 6.889 1.00 0.00 C ATOM 811 O TYR A 52 -10.025 1.338 6.269 1.00 0.00 O ATOM 812 CB TYR A 52 -7.234 1.870 8.162 1.00 0.00 C ATOM 813 CG TYR A 52 -7.851 0.607 8.801 1.00 0.00 C ATOM 814 CD1 TYR A 52 -7.516 -0.669 8.354 1.00 0.00 C ATOM 815 CD2 TYR A 52 -8.785 0.704 9.841 1.00 0.00 C ATOM 816 CE1 TYR A 52 -8.082 -1.797 8.916 1.00 0.00 C ATOM 817 CE2 TYR A 52 -9.349 -0.420 10.402 1.00 0.00 C ATOM 818 CZ TYR A 52 -8.998 -1.667 9.938 1.00 0.00 C ATOM 819 OH TYR A 52 -9.561 -2.791 10.502 1.00 0.00 O ATOM 0 H TYR A 52 -6.809 4.072 7.096 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.530 1.581 6.032 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.166 1.704 8.018 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.336 2.702 8.859 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.800 -0.779 7.553 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.068 1.679 10.210 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.808 -2.778 8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -10.065 -0.323 11.204 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.947 -3.549 10.404 1.00 0.00 H new ATOM 829 N GLU A 53 -9.994 3.135 7.678 1.00 0.00 N ATOM 830 CA GLU A 53 -11.444 3.154 7.968 1.00 0.00 C ATOM 831 C GLU A 53 -12.265 3.307 6.674 1.00 0.00 C ATOM 832 O GLU A 53 -13.010 2.410 6.315 1.00 0.00 O ATOM 833 CB GLU A 53 -11.790 4.282 8.976 1.00 0.00 C ATOM 834 CG GLU A 53 -11.053 4.170 10.323 1.00 0.00 C ATOM 835 CD GLU A 53 -11.459 5.267 11.321 1.00 0.00 C ATOM 836 OE1 GLU A 53 -10.936 6.400 11.230 1.00 0.00 O ATOM 837 OE2 GLU A 53 -12.326 5.010 12.191 1.00 0.00 O ATOM 0 H GLU A 53 -9.477 3.889 8.130 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.708 2.199 8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.552 5.245 8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.864 4.273 9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.256 3.193 10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.978 4.224 10.149 1.00 0.00 H new ATOM 844 N ASN A 54 -12.055 4.417 5.951 1.00 0.00 N ATOM 845 CA ASN A 54 -12.736 4.707 4.665 1.00 0.00 C ATOM 846 C ASN A 54 -12.503 3.594 3.612 1.00 0.00 C ATOM 847 O ASN A 54 -13.331 3.421 2.719 1.00 0.00 O ATOM 848 CB ASN A 54 -12.293 6.085 4.091 1.00 0.00 C ATOM 849 CG ASN A 54 -12.825 7.286 4.886 1.00 0.00 C ATOM 850 OD1 ASN A 54 -13.906 7.795 4.608 1.00 0.00 O ATOM 851 ND2 ASN A 54 -12.068 7.767 5.860 1.00 0.00 N ATOM 0 H ASN A 54 -11.405 5.148 6.238 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.804 4.741 4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.204 6.127 4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.633 6.165 3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.380 8.577 6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.173 7.328 6.074 1.00 0.00 H new ATOM 858 N PHE A 55 -11.388 2.838 3.723 1.00 0.00 N ATOM 859 CA PHE A 55 -11.123 1.699 2.819 1.00 0.00 C ATOM 860 C PHE A 55 -12.052 0.522 3.163 1.00 0.00 C ATOM 861 O PHE A 55 -12.683 -0.031 2.281 1.00 0.00 O ATOM 862 CB PHE A 55 -9.631 1.256 2.875 1.00 0.00 C ATOM 863 CG PHE A 55 -9.147 0.335 1.731 1.00 0.00 C ATOM 864 CD1 PHE A 55 -9.891 0.148 0.558 1.00 0.00 C ATOM 865 CD2 PHE A 55 -7.924 -0.320 1.828 1.00 0.00 C ATOM 866 CE1 PHE A 55 -9.427 -0.661 -0.460 1.00 0.00 C ATOM 867 CE2 PHE A 55 -7.465 -1.134 0.806 1.00 0.00 C ATOM 868 CZ PHE A 55 -8.215 -1.303 -0.334 1.00 0.00 C ATOM 0 H PHE A 55 -10.663 2.995 4.424 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.328 2.025 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.008 2.151 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.461 0.744 3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.843 0.645 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.322 -0.192 2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.015 -0.791 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.515 -1.638 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.854 -1.938 -1.129 1.00 0.00 H new ATOM 878 N MET A 56 -12.142 0.161 4.456 1.00 0.00 N ATOM 879 CA MET A 56 -12.960 -0.996 4.900 1.00 0.00 C ATOM 880 C MET A 56 -14.466 -0.669 4.888 1.00 0.00 C ATOM 881 O MET A 56 -15.299 -1.580 4.865 1.00 0.00 O ATOM 882 CB MET A 56 -12.462 -1.522 6.285 1.00 0.00 C ATOM 883 CG MET A 56 -12.482 -0.518 7.449 1.00 0.00 C ATOM 884 SD MET A 56 -14.133 -0.203 8.099 1.00 0.00 S ATOM 885 CE MET A 56 -14.573 -1.811 8.753 1.00 0.00 C ATOM 0 H MET A 56 -11.663 0.648 5.213 1.00 0.00 H new ATOM 0 HA MET A 56 -12.827 -1.806 4.183 1.00 0.00 H new ATOM 0 HB2 MET A 56 -13.074 -2.380 6.564 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.441 -1.885 6.165 1.00 0.00 H new ATOM 0 HG2 MET A 56 -11.849 -0.894 8.253 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.046 0.423 7.114 1.00 0.00 H new ATOM 0 HE1 MET A 56 -15.317 -2.276 8.106 1.00 0.00 H new ATOM 0 HE2 MET A 56 -13.685 -2.442 8.796 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.985 -1.696 9.755 1.00 0.00 H new ATOM 895 N GLU A 57 -14.796 0.635 4.895 1.00 0.00 N ATOM 896 CA GLU A 57 -16.173 1.135 4.778 1.00 0.00 C ATOM 897 C GLU A 57 -16.652 1.136 3.312 1.00 0.00 C ATOM 898 O GLU A 57 -17.625 0.457 2.976 1.00 0.00 O ATOM 899 CB GLU A 57 -16.251 2.555 5.388 1.00 0.00 C ATOM 900 CG GLU A 57 -16.037 2.599 6.914 1.00 0.00 C ATOM 901 CD GLU A 57 -17.195 1.979 7.715 1.00 0.00 C ATOM 902 OE1 GLU A 57 -18.221 2.665 7.918 1.00 0.00 O ATOM 903 OE2 GLU A 57 -17.100 0.802 8.130 1.00 0.00 O ATOM 0 H GLU A 57 -14.103 1.379 4.983 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.837 0.468 5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.502 3.186 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.225 2.985 5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.114 2.073 7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.905 3.635 7.225 1.00 0.00 H new ATOM 910 N ARG A 58 -15.954 1.897 2.444 1.00 0.00 N ATOM 911 CA ARG A 58 -16.352 2.073 1.018 1.00 0.00 C ATOM 912 C ARG A 58 -16.044 0.809 0.201 1.00 0.00 C ATOM 913 O ARG A 58 -16.678 0.556 -0.828 1.00 0.00 O ATOM 914 CB ARG A 58 -15.648 3.311 0.371 1.00 0.00 C ATOM 915 CG ARG A 58 -16.221 4.698 0.769 1.00 0.00 C ATOM 916 CD ARG A 58 -16.094 5.018 2.265 1.00 0.00 C ATOM 917 NE ARG A 58 -16.519 6.388 2.584 1.00 0.00 N ATOM 918 CZ ARG A 58 -16.767 6.851 3.817 1.00 0.00 C ATOM 919 NH1 ARG A 58 -16.729 6.044 4.873 1.00 0.00 N ATOM 920 NH2 ARG A 58 -17.057 8.123 3.984 1.00 0.00 N ATOM 0 H ARG A 58 -15.107 2.405 2.700 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.428 2.248 1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.592 3.285 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.705 3.213 -0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.706 5.470 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.273 4.740 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.696 4.312 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.059 4.880 2.576 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.634 7.038 1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.508 5.056 4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.920 6.413 5.804 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.092 8.748 3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.247 8.484 4.919 1.00 0.00 H new ATOM 934 N PHE A 59 -15.044 0.037 0.657 1.00 0.00 N ATOM 935 CA PHE A 59 -14.652 -1.247 0.042 1.00 0.00 C ATOM 936 C PHE A 59 -14.624 -2.340 1.137 1.00 0.00 C ATOM 937 O PHE A 59 -13.545 -2.738 1.604 1.00 0.00 O ATOM 938 CB PHE A 59 -13.270 -1.121 -0.679 1.00 0.00 C ATOM 939 CG PHE A 59 -13.234 -0.031 -1.752 1.00 0.00 C ATOM 940 CD1 PHE A 59 -12.931 1.292 -1.420 1.00 0.00 C ATOM 941 CD2 PHE A 59 -13.532 -0.321 -3.083 1.00 0.00 C ATOM 942 CE1 PHE A 59 -12.930 2.280 -2.380 1.00 0.00 C ATOM 943 CE2 PHE A 59 -13.531 0.674 -4.039 1.00 0.00 C ATOM 944 CZ PHE A 59 -13.231 1.972 -3.687 1.00 0.00 C ATOM 0 H PHE A 59 -14.479 0.286 1.469 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.382 -1.526 -0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.500 -0.913 0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.020 -2.078 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.694 1.543 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.766 -1.336 -3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -12.693 3.298 -2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.766 0.435 -5.066 1.00 0.00 H new ATOM 0 HZ PHE A 59 -13.232 2.748 -4.438 1.00 0.00 H new ATOM 954 N PRO A 60 -15.827 -2.855 1.573 1.00 0.00 N ATOM 955 CA PRO A 60 -15.912 -3.978 2.536 1.00 0.00 C ATOM 956 C PRO A 60 -15.618 -5.344 1.861 1.00 0.00 C ATOM 957 O PRO A 60 -15.728 -6.406 2.480 1.00 0.00 O ATOM 958 CB PRO A 60 -17.362 -3.866 3.068 1.00 0.00 C ATOM 959 CG PRO A 60 -18.141 -3.306 1.919 1.00 0.00 C ATOM 960 CD PRO A 60 -17.189 -2.389 1.169 1.00 0.00 C ATOM 0 HA PRO A 60 -15.171 -3.924 3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -17.749 -4.838 3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -17.416 -3.213 3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -18.506 -4.103 1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -19.014 -2.757 2.271 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -17.331 -2.465 0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -17.348 -1.345 1.439 1.00 0.00 H new ATOM 968 N GLU A 61 -15.263 -5.275 0.575 1.00 0.00 N ATOM 969 CA GLU A 61 -14.711 -6.388 -0.206 1.00 0.00 C ATOM 970 C GLU A 61 -13.288 -6.772 0.274 1.00 0.00 C ATOM 971 O GLU A 61 -12.907 -7.948 0.219 1.00 0.00 O ATOM 972 CB GLU A 61 -14.708 -5.964 -1.699 1.00 0.00 C ATOM 973 CG GLU A 61 -13.963 -4.632 -1.975 1.00 0.00 C ATOM 974 CD GLU A 61 -14.283 -4.014 -3.343 1.00 0.00 C ATOM 975 OE1 GLU A 61 -15.301 -3.296 -3.463 1.00 0.00 O ATOM 976 OE2 GLU A 61 -13.528 -4.237 -4.298 1.00 0.00 O ATOM 0 H GLU A 61 -15.354 -4.417 0.031 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.327 -7.277 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.247 -6.755 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.739 -5.870 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.219 -3.915 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.889 -4.807 -1.908 1.00 0.00 H new ATOM 983 N TYR A 62 -12.522 -5.772 0.765 1.00 0.00 N ATOM 984 CA TYR A 62 -11.108 -5.956 1.165 1.00 0.00 C ATOM 985 C TYR A 62 -10.984 -6.321 2.664 1.00 0.00 C ATOM 986 O TYR A 62 -9.964 -6.878 3.073 1.00 0.00 O ATOM 987 CB TYR A 62 -10.257 -4.670 0.812 1.00 0.00 C ATOM 988 CG TYR A 62 -9.650 -3.931 2.030 1.00 0.00 C ATOM 989 CD1 TYR A 62 -10.413 -3.024 2.767 1.00 0.00 C ATOM 990 CD2 TYR A 62 -8.339 -4.184 2.468 1.00 0.00 C ATOM 991 CE1 TYR A 62 -9.899 -2.402 3.879 1.00 0.00 C ATOM 992 CE2 TYR A 62 -7.829 -3.549 3.586 1.00 0.00 C ATOM 993 CZ TYR A 62 -8.621 -2.659 4.287 1.00 0.00 C ATOM 994 OH TYR A 62 -8.134 -2.009 5.396 1.00 0.00 O ATOM 0 H TYR A 62 -12.864 -4.820 0.895 1.00 0.00 H new ATOM 0 HA TYR A 62 -10.705 -6.795 0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.448 -4.961 0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.890 -3.974 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.425 -2.807 2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.721 -4.884 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.509 -1.705 4.434 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.818 -3.747 3.909 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.034 -2.648 6.132 1.00 0.00 H new ATOM 1004 N LYS A 63 -12.011 -5.988 3.478 1.00 0.00 N ATOM 1005 CA LYS A 63 -11.924 -6.071 4.966 1.00 0.00 C ATOM 1006 C LYS A 63 -11.687 -7.516 5.470 1.00 0.00 C ATOM 1007 O LYS A 63 -11.412 -7.726 6.655 1.00 0.00 O ATOM 1008 CB LYS A 63 -13.201 -5.479 5.609 1.00 0.00 C ATOM 1009 CG LYS A 63 -14.470 -6.346 5.426 1.00 0.00 C ATOM 1010 CD LYS A 63 -15.767 -5.638 5.882 1.00 0.00 C ATOM 1011 CE LYS A 63 -15.751 -5.199 7.350 1.00 0.00 C ATOM 1012 NZ LYS A 63 -15.547 -6.340 8.275 1.00 0.00 N ATOM 0 H LYS A 63 -12.913 -5.658 3.136 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.057 -5.484 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.024 -5.337 6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.385 -4.493 5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.565 -6.621 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.353 -7.272 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.932 -4.763 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.611 -6.309 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.958 -4.466 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.692 -4.704 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.577 -6.000 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.298 -7.044 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.622 -6.777 8.088 1.00 0.00 H new ATOM 1026 N ASP A 64 -11.829 -8.492 4.553 1.00 0.00 N ATOM 1027 CA ASP A 64 -11.484 -9.901 4.785 1.00 0.00 C ATOM 1028 C ASP A 64 -9.984 -10.022 5.139 1.00 0.00 C ATOM 1029 O ASP A 64 -9.168 -9.350 4.512 1.00 0.00 O ATOM 1030 CB ASP A 64 -11.784 -10.718 3.494 1.00 0.00 C ATOM 1031 CG ASP A 64 -11.917 -12.224 3.755 1.00 0.00 C ATOM 1032 OD1 ASP A 64 -10.889 -12.900 3.925 1.00 0.00 O ATOM 1033 OD2 ASP A 64 -13.059 -12.734 3.826 1.00 0.00 O ATOM 0 H ASP A 64 -12.193 -8.317 3.616 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.077 -10.290 5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.706 -10.350 3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.987 -10.549 2.770 1.00 0.00 H new ATOM 1038 N VAL A 65 -9.636 -10.893 6.109 1.00 0.00 N ATOM 1039 CA VAL A 65 -8.230 -11.076 6.567 1.00 0.00 C ATOM 1040 C VAL A 65 -7.326 -11.539 5.400 1.00 0.00 C ATOM 1041 O VAL A 65 -6.163 -11.115 5.293 1.00 0.00 O ATOM 1042 CB VAL A 65 -8.121 -12.103 7.766 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -6.670 -12.194 8.321 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -9.113 -11.756 8.898 1.00 0.00 C ATOM 0 H VAL A 65 -10.308 -11.486 6.596 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.888 -10.105 6.925 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.387 -13.082 7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.639 -12.910 9.143 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.997 -12.522 7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.356 -11.214 8.681 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.012 -12.481 9.705 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.897 -10.757 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.131 -11.784 8.511 1.00 0.00 H new ATOM 1054 N GLU A 66 -7.898 -12.385 4.517 1.00 0.00 N ATOM 1055 CA GLU A 66 -7.241 -12.837 3.278 1.00 0.00 C ATOM 1056 C GLU A 66 -6.978 -11.639 2.347 1.00 0.00 C ATOM 1057 O GLU A 66 -5.886 -11.478 1.819 1.00 0.00 O ATOM 1058 CB GLU A 66 -8.126 -13.890 2.565 1.00 0.00 C ATOM 1059 CG GLU A 66 -8.390 -15.178 3.373 1.00 0.00 C ATOM 1060 CD GLU A 66 -7.159 -16.085 3.472 1.00 0.00 C ATOM 1061 OE1 GLU A 66 -6.950 -16.907 2.554 1.00 0.00 O ATOM 1062 OE2 GLU A 66 -6.386 -15.982 4.453 1.00 0.00 O ATOM 0 H GLU A 66 -8.832 -12.774 4.647 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.285 -13.295 3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.084 -13.431 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.652 -14.162 1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.718 -14.910 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.206 -15.731 2.908 1.00 0.00 H new ATOM 1069 N ARG A 67 -7.979 -10.773 2.198 1.00 0.00 N ATOM 1070 CA ARG A 67 -7.884 -9.589 1.321 1.00 0.00 C ATOM 1071 C ARG A 67 -7.015 -8.453 1.925 1.00 0.00 C ATOM 1072 O ARG A 67 -6.673 -7.498 1.218 1.00 0.00 O ATOM 1073 CB ARG A 67 -9.310 -9.089 0.982 1.00 0.00 C ATOM 1074 CG ARG A 67 -10.064 -9.938 -0.063 1.00 0.00 C ATOM 1075 CD ARG A 67 -9.294 -9.983 -1.387 1.00 0.00 C ATOM 1076 NE ARG A 67 -10.077 -10.521 -2.510 1.00 0.00 N ATOM 1077 CZ ARG A 67 -9.660 -10.508 -3.784 1.00 0.00 C ATOM 1078 NH1 ARG A 67 -8.407 -10.176 -4.069 1.00 0.00 N ATOM 1079 NH2 ARG A 67 -10.476 -10.871 -4.757 1.00 0.00 N ATOM 0 H ARG A 67 -8.876 -10.864 2.675 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.375 -9.892 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.898 -9.062 1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.243 -8.064 0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.203 -10.950 0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.057 -9.521 -0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.961 -8.976 -1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.399 -10.591 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.990 -10.928 -2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.761 -9.931 -3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.090 -10.166 -5.038 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.429 -11.163 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.153 -10.859 -5.724 1.00 0.00 H new ATOM 1093 N VAL A 68 -6.683 -8.559 3.224 1.00 0.00 N ATOM 1094 CA VAL A 68 -5.752 -7.632 3.901 1.00 0.00 C ATOM 1095 C VAL A 68 -4.295 -8.135 3.753 1.00 0.00 C ATOM 1096 O VAL A 68 -3.359 -7.331 3.623 1.00 0.00 O ATOM 1097 CB VAL A 68 -6.137 -7.448 5.428 1.00 0.00 C ATOM 1098 CG1 VAL A 68 -5.078 -6.628 6.209 1.00 0.00 C ATOM 1099 CG2 VAL A 68 -7.532 -6.787 5.575 1.00 0.00 C ATOM 0 H VAL A 68 -7.051 -9.288 3.835 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.832 -6.656 3.423 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.168 -8.447 5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.388 -6.530 7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.116 -7.139 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.984 -5.637 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.771 -6.673 6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.523 -5.807 5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.284 -7.416 5.099 1.00 0.00 H new ATOM 1109 N LYS A 69 -4.109 -9.478 3.761 1.00 0.00 N ATOM 1110 CA LYS A 69 -2.762 -10.089 3.715 1.00 0.00 C ATOM 1111 C LYS A 69 -2.225 -10.166 2.276 1.00 0.00 C ATOM 1112 O LYS A 69 -1.062 -9.822 2.038 1.00 0.00 O ATOM 1113 CB LYS A 69 -2.735 -11.493 4.402 1.00 0.00 C ATOM 1114 CG LYS A 69 -3.551 -12.603 3.712 1.00 0.00 C ATOM 1115 CD LYS A 69 -3.600 -13.930 4.509 1.00 0.00 C ATOM 1116 CE LYS A 69 -2.210 -14.540 4.757 1.00 0.00 C ATOM 1117 NZ LYS A 69 -2.271 -15.805 5.532 1.00 0.00 N ATOM 0 H LYS A 69 -4.872 -10.154 3.799 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.099 -9.436 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.698 -11.822 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.101 -11.382 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.569 -12.247 3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.124 -12.797 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.088 -13.753 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.214 -14.649 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.724 -14.728 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.592 -13.820 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.309 -16.174 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.710 -15.624 6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.838 -16.504 5.011 1.00 0.00 H new ATOM 1131 N LYS A 70 -3.073 -10.587 1.309 1.00 0.00 N ATOM 1132 CA LYS A 70 -2.636 -10.780 -0.088 1.00 0.00 C ATOM 1133 C LYS A 70 -3.702 -10.317 -1.094 1.00 0.00 C ATOM 1134 O LYS A 70 -4.896 -10.233 -0.781 1.00 0.00 O ATOM 1135 CB LYS A 70 -2.194 -12.267 -0.375 1.00 0.00 C ATOM 1136 CG LYS A 70 -3.291 -13.286 -0.791 1.00 0.00 C ATOM 1137 CD LYS A 70 -4.254 -13.668 0.348 1.00 0.00 C ATOM 1138 CE LYS A 70 -5.228 -14.788 -0.044 1.00 0.00 C ATOM 1139 NZ LYS A 70 -4.508 -16.043 -0.383 1.00 0.00 N ATOM 0 H LYS A 70 -4.058 -10.798 1.472 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.758 -10.148 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.442 -12.246 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.706 -12.649 0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.868 -12.867 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.810 -14.190 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.675 -13.984 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.822 -12.787 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.919 -14.975 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.826 -14.469 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.180 -16.837 -0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.068 -15.948 -1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.771 -16.224 0.328 1.00 0.00 H new ATOM 1153 N PHE A 71 -3.211 -10.025 -2.301 1.00 0.00 N ATOM 1154 CA PHE A 71 -4.011 -9.684 -3.482 1.00 0.00 C ATOM 1155 C PHE A 71 -3.158 -9.994 -4.728 1.00 0.00 C ATOM 1156 O PHE A 71 -1.953 -10.266 -4.618 1.00 0.00 O ATOM 1157 CB PHE A 71 -4.456 -8.185 -3.458 1.00 0.00 C ATOM 1158 CG PHE A 71 -3.303 -7.185 -3.568 1.00 0.00 C ATOM 1159 CD1 PHE A 71 -2.606 -6.761 -2.439 1.00 0.00 C ATOM 1160 CD2 PHE A 71 -2.902 -6.689 -4.812 1.00 0.00 C ATOM 1161 CE1 PHE A 71 -1.553 -5.879 -2.551 1.00 0.00 C ATOM 1162 CE2 PHE A 71 -1.852 -5.810 -4.923 1.00 0.00 C ATOM 1163 CZ PHE A 71 -1.175 -5.404 -3.795 1.00 0.00 C ATOM 0 H PHE A 71 -2.209 -10.019 -2.490 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.927 -10.275 -3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.152 -8.011 -4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.000 -7.994 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.894 -7.128 -1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.427 -7.003 -5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.022 -5.558 -1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.558 -5.438 -5.893 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.348 -4.714 -3.881 1.00 0.00 H new ATOM 1173 N THR A 72 -3.774 -9.921 -5.905 1.00 0.00 N ATOM 1174 CA THR A 72 -3.085 -10.136 -7.184 1.00 0.00 C ATOM 1175 C THR A 72 -3.130 -8.829 -8.006 1.00 0.00 C ATOM 1176 O THR A 72 -3.957 -7.951 -7.745 1.00 0.00 O ATOM 1177 CB THR A 72 -3.733 -11.329 -7.967 1.00 0.00 C ATOM 1178 OG1 THR A 72 -4.033 -12.402 -7.060 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.804 -11.874 -9.070 1.00 0.00 C ATOM 0 H THR A 72 -4.767 -9.711 -6.004 1.00 0.00 H new ATOM 0 HA THR A 72 -2.044 -10.400 -7.000 1.00 0.00 H new ATOM 0 HB THR A 72 -4.641 -10.948 -8.434 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.439 -13.144 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.296 -12.699 -9.585 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.583 -11.081 -9.784 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.876 -12.228 -8.622 1.00 0.00 H new ATOM 1187 N GLU A 73 -2.224 -8.704 -8.984 1.00 0.00 N ATOM 1188 CA GLU A 73 -2.064 -7.482 -9.792 1.00 0.00 C ATOM 1189 C GLU A 73 -3.105 -7.411 -10.921 1.00 0.00 C ATOM 1190 O GLU A 73 -3.573 -6.329 -11.256 1.00 0.00 O ATOM 1191 CB GLU A 73 -0.624 -7.419 -10.366 1.00 0.00 C ATOM 1192 CG GLU A 73 -0.224 -8.661 -11.191 1.00 0.00 C ATOM 1193 CD GLU A 73 1.224 -8.623 -11.696 1.00 0.00 C ATOM 1194 OE1 GLU A 73 2.148 -8.781 -10.874 1.00 0.00 O ATOM 1195 OE2 GLU A 73 1.446 -8.433 -12.912 1.00 0.00 O ATOM 0 H GLU A 73 -1.577 -9.450 -9.241 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.229 -6.620 -9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.532 -6.533 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.080 -7.300 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.364 -9.553 -10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.895 -8.751 -12.045 1.00 0.00 H new ATOM 1202 N GLU A 74 -3.478 -8.578 -11.481 1.00 0.00 N ATOM 1203 CA GLU A 74 -4.345 -8.660 -12.682 1.00 0.00 C ATOM 1204 C GLU A 74 -5.787 -8.164 -12.412 1.00 0.00 C ATOM 1205 O GLU A 74 -6.446 -7.635 -13.319 1.00 0.00 O ATOM 1206 CB GLU A 74 -4.308 -10.103 -13.275 1.00 0.00 C ATOM 1207 CG GLU A 74 -4.457 -11.259 -12.256 1.00 0.00 C ATOM 1208 CD GLU A 74 -5.864 -11.416 -11.657 1.00 0.00 C ATOM 1209 OE1 GLU A 74 -6.797 -11.789 -12.395 1.00 0.00 O ATOM 1210 OE2 GLU A 74 -6.041 -11.178 -10.443 1.00 0.00 O ATOM 0 H GLU A 74 -3.191 -9.488 -11.119 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.944 -7.978 -13.432 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.104 -10.191 -14.014 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.365 -10.232 -13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.180 -12.193 -12.745 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.748 -11.102 -11.444 1.00 0.00 H new ATOM 1217 N GLU A 75 -6.247 -8.305 -11.160 1.00 0.00 N ATOM 1218 CA GLU A 75 -7.585 -7.837 -10.732 1.00 0.00 C ATOM 1219 C GLU A 75 -7.624 -6.306 -10.587 1.00 0.00 C ATOM 1220 O GLU A 75 -8.699 -5.720 -10.462 1.00 0.00 O ATOM 1221 CB GLU A 75 -7.976 -8.508 -9.398 1.00 0.00 C ATOM 1222 CG GLU A 75 -7.060 -8.148 -8.218 1.00 0.00 C ATOM 1223 CD GLU A 75 -7.479 -8.824 -6.912 1.00 0.00 C ATOM 1224 OE1 GLU A 75 -8.575 -8.508 -6.404 1.00 0.00 O ATOM 1225 OE2 GLU A 75 -6.742 -9.695 -6.404 1.00 0.00 O ATOM 0 H GLU A 75 -5.708 -8.744 -10.414 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.304 -8.118 -11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.999 -8.225 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.968 -9.590 -9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.036 -8.436 -8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.063 -7.067 -8.079 1.00 0.00 H new ATOM 1232 N LEU A 76 -6.433 -5.678 -10.569 1.00 0.00 N ATOM 1233 CA LEU A 76 -6.274 -4.214 -10.538 1.00 0.00 C ATOM 1234 C LEU A 76 -6.246 -3.653 -11.978 1.00 0.00 C ATOM 1235 O LEU A 76 -6.563 -2.483 -12.207 1.00 0.00 O ATOM 1236 CB LEU A 76 -4.962 -3.833 -9.798 1.00 0.00 C ATOM 1237 CG LEU A 76 -4.713 -4.536 -8.423 1.00 0.00 C ATOM 1238 CD1 LEU A 76 -3.358 -4.107 -7.821 1.00 0.00 C ATOM 1239 CD2 LEU A 76 -5.874 -4.293 -7.433 1.00 0.00 C ATOM 0 H LEU A 76 -5.545 -6.180 -10.576 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.120 -3.781 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.121 -4.058 -10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.961 -2.755 -9.636 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.673 -5.610 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.209 -4.610 -6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.554 -4.380 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.353 -3.028 -7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.661 -4.798 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.982 -3.223 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.799 -4.686 -7.854 1.00 0.00 H new ATOM 1251 N LYS A 77 -5.873 -4.522 -12.938 1.00 0.00 N ATOM 1252 CA LYS A 77 -5.630 -4.141 -14.347 1.00 0.00 C ATOM 1253 C LYS A 77 -6.924 -4.061 -15.172 1.00 0.00 C ATOM 1254 O LYS A 77 -6.893 -3.615 -16.325 1.00 0.00 O ATOM 1255 CB LYS A 77 -4.639 -5.127 -14.985 1.00 0.00 C ATOM 1256 CG LYS A 77 -3.313 -5.215 -14.209 1.00 0.00 C ATOM 1257 CD LYS A 77 -2.239 -5.989 -14.973 1.00 0.00 C ATOM 1258 CE LYS A 77 -0.926 -6.104 -14.187 1.00 0.00 C ATOM 1259 NZ LYS A 77 0.103 -6.869 -14.930 1.00 0.00 N ATOM 0 H LYS A 77 -5.730 -5.516 -12.758 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.202 -3.138 -14.347 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.095 -6.116 -15.032 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.436 -4.820 -16.011 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.951 -4.209 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.489 -5.697 -13.248 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.610 -6.988 -15.203 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.047 -5.494 -15.925 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.547 -5.106 -13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.118 -6.590 -13.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.632 -7.473 -14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.358 -7.463 -15.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.758 -6.209 -15.395 1.00 0.00 H new ATOM 1273 N THR A 78 -8.050 -4.516 -14.591 1.00 0.00 N ATOM 1274 CA THR A 78 -9.377 -4.354 -15.207 1.00 0.00 C ATOM 1275 C THR A 78 -9.840 -2.889 -15.072 1.00 0.00 C ATOM 1276 O THR A 78 -9.445 -2.194 -14.119 1.00 0.00 O ATOM 1277 CB THR A 78 -10.437 -5.335 -14.582 1.00 0.00 C ATOM 1278 OG1 THR A 78 -11.720 -5.145 -15.199 1.00 0.00 O ATOM 1279 CG2 THR A 78 -10.590 -5.178 -13.061 1.00 0.00 C ATOM 0 H THR A 78 -8.065 -5.000 -13.693 1.00 0.00 H new ATOM 0 HA THR A 78 -9.292 -4.607 -16.264 1.00 0.00 H new ATOM 0 HB THR A 78 -10.063 -6.341 -14.773 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.369 -5.763 -14.802 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.336 -5.884 -12.696 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.634 -5.377 -12.577 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.909 -4.161 -12.830 1.00 0.00 H new ATOM 1287 N LYS A 79 -10.673 -2.438 -16.031 1.00 0.00 N ATOM 1288 CA LYS A 79 -11.205 -1.060 -16.066 1.00 0.00 C ATOM 1289 C LYS A 79 -11.974 -0.747 -14.770 1.00 0.00 C ATOM 1290 O LYS A 79 -11.835 0.341 -14.202 1.00 0.00 O ATOM 1291 CB LYS A 79 -12.149 -0.885 -17.282 1.00 0.00 C ATOM 1292 CG LYS A 79 -12.734 0.540 -17.450 1.00 0.00 C ATOM 1293 CD LYS A 79 -13.812 0.616 -18.552 1.00 0.00 C ATOM 1294 CE LYS A 79 -14.381 2.035 -18.723 1.00 0.00 C ATOM 1295 NZ LYS A 79 -15.515 2.069 -19.678 1.00 0.00 N ATOM 0 H LYS A 79 -10.997 -3.019 -16.804 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.366 -0.370 -16.157 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.604 -1.148 -18.188 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.973 -1.592 -17.189 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.165 0.865 -16.503 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.928 1.234 -17.688 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.384 0.283 -19.498 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.623 -0.071 -18.310 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.711 2.412 -17.755 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.593 2.702 -19.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.868 3.044 -19.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.195 1.734 -20.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.279 1.453 -19.332 1.00 0.00 H new ATOM 1309 N GLU A 80 -12.747 -1.759 -14.306 1.00 0.00 N ATOM 1310 CA GLU A 80 -13.576 -1.674 -13.087 1.00 0.00 C ATOM 1311 C GLU A 80 -12.732 -1.284 -11.863 1.00 0.00 C ATOM 1312 O GLU A 80 -13.144 -0.445 -11.064 1.00 0.00 O ATOM 1313 CB GLU A 80 -14.292 -3.025 -12.814 1.00 0.00 C ATOM 1314 CG GLU A 80 -15.151 -3.534 -13.981 1.00 0.00 C ATOM 1315 CD GLU A 80 -16.032 -4.738 -13.604 1.00 0.00 C ATOM 1316 OE1 GLU A 80 -15.504 -5.865 -13.506 1.00 0.00 O ATOM 1317 OE2 GLU A 80 -17.254 -4.556 -13.395 1.00 0.00 O ATOM 0 H GLU A 80 -12.810 -2.663 -14.774 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.323 -0.899 -13.256 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.541 -3.779 -12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.925 -2.916 -11.933 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.787 -2.723 -14.336 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -14.499 -3.814 -14.809 1.00 0.00 H new ATOM 1324 N ALA A 81 -11.531 -1.876 -11.767 1.00 0.00 N ATOM 1325 CA ALA A 81 -10.616 -1.665 -10.633 1.00 0.00 C ATOM 1326 C ALA A 81 -10.020 -0.259 -10.651 1.00 0.00 C ATOM 1327 O ALA A 81 -9.888 0.362 -9.607 1.00 0.00 O ATOM 1328 CB ALA A 81 -9.504 -2.703 -10.645 1.00 0.00 C ATOM 0 H ALA A 81 -11.166 -2.515 -12.474 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.196 -1.775 -9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.837 -2.532 -9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.937 -3.701 -10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.940 -2.621 -11.574 1.00 0.00 H new ATOM 1334 N LYS A 82 -9.680 0.228 -11.853 1.00 0.00 N ATOM 1335 CA LYS A 82 -9.117 1.585 -12.051 1.00 0.00 C ATOM 1336 C LYS A 82 -10.122 2.658 -11.603 1.00 0.00 C ATOM 1337 O LYS A 82 -9.745 3.681 -11.014 1.00 0.00 O ATOM 1338 CB LYS A 82 -8.747 1.777 -13.537 1.00 0.00 C ATOM 1339 CG LYS A 82 -7.729 0.738 -14.044 1.00 0.00 C ATOM 1340 CD LYS A 82 -7.495 0.824 -15.563 1.00 0.00 C ATOM 1341 CE LYS A 82 -6.452 -0.194 -16.042 1.00 0.00 C ATOM 1342 NZ LYS A 82 -5.111 0.068 -15.460 1.00 0.00 N ATOM 0 H LYS A 82 -9.785 -0.301 -12.718 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.219 1.690 -11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.652 1.716 -14.142 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.337 2.777 -13.677 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.781 0.882 -13.526 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.081 -0.262 -13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.436 0.652 -16.085 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.166 1.830 -15.823 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.775 -1.199 -15.771 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.388 -0.163 -17.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.404 -0.530 -15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.864 1.069 -15.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.125 -0.152 -14.444 1.00 0.00 H new ATOM 1356 N GLU A 83 -11.408 2.377 -11.879 1.00 0.00 N ATOM 1357 CA GLU A 83 -12.536 3.214 -11.448 1.00 0.00 C ATOM 1358 C GLU A 83 -12.708 3.132 -9.921 1.00 0.00 C ATOM 1359 O GLU A 83 -12.888 4.152 -9.277 1.00 0.00 O ATOM 1360 CB GLU A 83 -13.826 2.780 -12.189 1.00 0.00 C ATOM 1361 CG GLU A 83 -13.718 2.923 -13.719 1.00 0.00 C ATOM 1362 CD GLU A 83 -14.949 2.405 -14.483 1.00 0.00 C ATOM 1363 OE1 GLU A 83 -15.064 1.174 -14.695 1.00 0.00 O ATOM 1364 OE2 GLU A 83 -15.801 3.226 -14.886 1.00 0.00 O ATOM 0 H GLU A 83 -11.693 1.555 -12.412 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.333 4.254 -11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.049 1.742 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.663 3.380 -11.832 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.565 3.974 -13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.836 2.383 -14.063 1.00 0.00 H new ATOM 1371 N ARG A 84 -12.591 1.915 -9.357 1.00 0.00 N ATOM 1372 CA ARG A 84 -12.650 1.683 -7.888 1.00 0.00 C ATOM 1373 C ARG A 84 -11.559 2.502 -7.155 1.00 0.00 C ATOM 1374 O ARG A 84 -11.841 3.174 -6.163 1.00 0.00 O ATOM 1375 CB ARG A 84 -12.496 0.163 -7.576 1.00 0.00 C ATOM 1376 CG ARG A 84 -13.743 -0.697 -7.911 1.00 0.00 C ATOM 1377 CD ARG A 84 -13.428 -2.206 -7.981 1.00 0.00 C ATOM 1378 NE ARG A 84 -12.747 -2.701 -6.768 1.00 0.00 N ATOM 1379 CZ ARG A 84 -11.602 -3.413 -6.750 1.00 0.00 C ATOM 1380 NH1 ARG A 84 -11.012 -3.794 -7.877 1.00 0.00 N ATOM 1381 NH2 ARG A 84 -11.079 -3.778 -5.592 1.00 0.00 N ATOM 0 H ARG A 84 -12.453 1.062 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.622 2.018 -7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.644 -0.224 -8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.264 0.045 -6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -14.510 -0.525 -7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -14.157 -0.372 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -14.355 -2.761 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.801 -2.403 -8.851 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.179 -2.487 -5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.425 -3.548 -8.777 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.146 -4.332 -7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.541 -3.521 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.213 -4.317 -5.571 1.00 0.00 H new ATOM 1395 N TRP A 85 -10.328 2.481 -7.701 1.00 0.00 N ATOM 1396 CA TRP A 85 -9.175 3.215 -7.134 1.00 0.00 C ATOM 1397 C TRP A 85 -9.320 4.734 -7.332 1.00 0.00 C ATOM 1398 O TRP A 85 -8.698 5.509 -6.605 1.00 0.00 O ATOM 1399 CB TRP A 85 -7.830 2.707 -7.727 1.00 0.00 C ATOM 1400 CG TRP A 85 -7.508 1.254 -7.395 1.00 0.00 C ATOM 1401 CD1 TRP A 85 -7.155 0.260 -8.274 1.00 0.00 C ATOM 1402 CD2 TRP A 85 -7.506 0.640 -6.086 1.00 0.00 C ATOM 1403 NE1 TRP A 85 -6.951 -0.916 -7.602 1.00 0.00 N ATOM 1404 CE2 TRP A 85 -7.157 -0.711 -6.263 1.00 0.00 C ATOM 1405 CE3 TRP A 85 -7.768 1.098 -4.784 1.00 0.00 C ATOM 1406 CZ2 TRP A 85 -7.063 -1.601 -5.195 1.00 0.00 C ATOM 1407 CZ3 TRP A 85 -7.674 0.212 -3.730 1.00 0.00 C ATOM 1408 CH2 TRP A 85 -7.324 -1.125 -3.941 1.00 0.00 C ATOM 0 H TRP A 85 -10.103 1.956 -8.546 1.00 0.00 H new ATOM 0 HA TRP A 85 -9.165 3.018 -6.062 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -7.857 2.823 -8.811 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -7.022 3.339 -7.359 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.053 0.387 -9.342 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.688 -1.803 -8.030 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -8.039 2.129 -4.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.792 -2.634 -5.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -7.874 0.557 -2.726 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -7.259 -1.795 -3.096 1.00 0.00 H new ATOM 1419 N ARG A 86 -10.130 5.147 -8.328 1.00 0.00 N ATOM 1420 CA ARG A 86 -10.496 6.564 -8.525 1.00 0.00 C ATOM 1421 C ARG A 86 -11.461 7.023 -7.414 1.00 0.00 C ATOM 1422 O ARG A 86 -11.229 8.051 -6.789 1.00 0.00 O ATOM 1423 CB ARG A 86 -11.137 6.789 -9.918 1.00 0.00 C ATOM 1424 CG ARG A 86 -11.596 8.242 -10.173 1.00 0.00 C ATOM 1425 CD ARG A 86 -12.299 8.417 -11.523 1.00 0.00 C ATOM 1426 NE ARG A 86 -12.757 9.806 -11.728 1.00 0.00 N ATOM 1427 CZ ARG A 86 -13.748 10.182 -12.549 1.00 0.00 C ATOM 1428 NH1 ARG A 86 -14.460 9.283 -13.209 1.00 0.00 N ATOM 1429 NH2 ARG A 86 -14.024 11.464 -12.706 1.00 0.00 N ATOM 0 H ARG A 86 -10.545 4.515 -9.012 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.584 7.159 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.418 6.506 -10.687 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.995 6.124 -10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.271 8.550 -9.375 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.731 8.904 -10.131 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.618 8.137 -12.326 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.152 7.741 -11.579 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.281 10.539 -11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.258 8.290 -13.096 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.211 9.583 -13.830 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.483 12.167 -12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.778 11.751 -13.330 1.00 0.00 H new ATOM 1443 N LYS A 87 -12.534 6.229 -7.172 1.00 0.00 N ATOM 1444 CA LYS A 87 -13.519 6.480 -6.081 1.00 0.00 C ATOM 1445 C LYS A 87 -12.815 6.524 -4.705 1.00 0.00 C ATOM 1446 O LYS A 87 -13.212 7.279 -3.807 1.00 0.00 O ATOM 1447 CB LYS A 87 -14.645 5.388 -6.066 1.00 0.00 C ATOM 1448 CG LYS A 87 -15.831 5.612 -7.043 1.00 0.00 C ATOM 1449 CD LYS A 87 -15.444 5.537 -8.537 1.00 0.00 C ATOM 1450 CE LYS A 87 -16.639 5.748 -9.477 1.00 0.00 C ATOM 1451 NZ LYS A 87 -17.247 7.092 -9.316 1.00 0.00 N ATOM 0 H LYS A 87 -12.744 5.398 -7.724 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.980 7.448 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.190 4.424 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.043 5.321 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.600 4.866 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.273 6.588 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.685 6.290 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.995 4.565 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.314 5.619 -10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.392 4.984 -9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.959 7.242 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.701 7.158 -8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.508 7.819 -9.394 1.00 0.00 H new ATOM 1465 N PHE A 88 -11.763 5.709 -4.579 1.00 0.00 N ATOM 1466 CA PHE A 88 -10.946 5.611 -3.367 1.00 0.00 C ATOM 1467 C PHE A 88 -10.057 6.866 -3.208 1.00 0.00 C ATOM 1468 O PHE A 88 -9.963 7.437 -2.117 1.00 0.00 O ATOM 1469 CB PHE A 88 -10.097 4.317 -3.442 1.00 0.00 C ATOM 1470 CG PHE A 88 -9.370 3.958 -2.157 1.00 0.00 C ATOM 1471 CD1 PHE A 88 -10.031 4.001 -0.929 1.00 0.00 C ATOM 1472 CD2 PHE A 88 -8.037 3.572 -2.171 1.00 0.00 C ATOM 1473 CE1 PHE A 88 -9.376 3.677 0.233 1.00 0.00 C ATOM 1474 CE2 PHE A 88 -7.387 3.243 -1.005 1.00 0.00 C ATOM 1475 CZ PHE A 88 -8.053 3.297 0.196 1.00 0.00 C ATOM 0 H PHE A 88 -11.451 5.090 -5.327 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.589 5.562 -2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.748 3.488 -3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -9.363 4.426 -4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.070 4.293 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.504 3.530 -3.109 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.899 3.720 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.350 2.941 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.539 3.041 1.111 1.00 0.00 H new ATOM 1485 N PHE A 89 -9.425 7.285 -4.323 1.00 0.00 N ATOM 1486 CA PHE A 89 -8.599 8.508 -4.392 1.00 0.00 C ATOM 1487 C PHE A 89 -9.421 9.766 -4.039 1.00 0.00 C ATOM 1488 O PHE A 89 -8.954 10.608 -3.272 1.00 0.00 O ATOM 1489 CB PHE A 89 -7.959 8.632 -5.818 1.00 0.00 C ATOM 1490 CG PHE A 89 -7.574 10.053 -6.261 1.00 0.00 C ATOM 1491 CD1 PHE A 89 -6.666 10.820 -5.531 1.00 0.00 C ATOM 1492 CD2 PHE A 89 -8.148 10.628 -7.400 1.00 0.00 C ATOM 1493 CE1 PHE A 89 -6.342 12.099 -5.926 1.00 0.00 C ATOM 1494 CE2 PHE A 89 -7.820 11.911 -7.790 1.00 0.00 C ATOM 1495 CZ PHE A 89 -6.918 12.646 -7.051 1.00 0.00 C ATOM 0 H PHE A 89 -9.474 6.780 -5.208 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.802 8.431 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.066 8.008 -5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.659 8.223 -6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.211 10.405 -4.644 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.858 10.060 -7.983 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.633 12.676 -5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.270 12.339 -8.674 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.663 13.651 -7.354 1.00 0.00 H new ATOM 1505 N THR A 90 -10.641 9.873 -4.597 1.00 0.00 N ATOM 1506 CA THR A 90 -11.490 11.081 -4.465 1.00 0.00 C ATOM 1507 C THR A 90 -11.873 11.393 -2.999 1.00 0.00 C ATOM 1508 O THR A 90 -12.324 12.500 -2.702 1.00 0.00 O ATOM 1509 CB THR A 90 -12.770 10.999 -5.355 1.00 0.00 C ATOM 1510 OG1 THR A 90 -13.519 9.813 -5.046 1.00 0.00 O ATOM 1511 CG2 THR A 90 -12.422 11.020 -6.858 1.00 0.00 C ATOM 0 H THR A 90 -11.068 9.130 -5.151 1.00 0.00 H new ATOM 0 HA THR A 90 -10.876 11.907 -4.823 1.00 0.00 H new ATOM 0 HB THR A 90 -13.376 11.878 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.994 9.242 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.339 10.961 -7.445 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.897 11.945 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.784 10.169 -7.096 1.00 0.00 H new ATOM 1519 N ILE A 91 -11.708 10.410 -2.100 1.00 0.00 N ATOM 1520 CA ILE A 91 -11.872 10.619 -0.651 1.00 0.00 C ATOM 1521 C ILE A 91 -10.658 11.420 -0.096 1.00 0.00 C ATOM 1522 O ILE A 91 -10.819 12.411 0.628 1.00 0.00 O ATOM 1523 CB ILE A 91 -11.999 9.241 0.114 1.00 0.00 C ATOM 1524 CG1 ILE A 91 -13.072 8.316 -0.558 1.00 0.00 C ATOM 1525 CG2 ILE A 91 -12.330 9.459 1.619 1.00 0.00 C ATOM 1526 CD1 ILE A 91 -13.147 6.907 0.023 1.00 0.00 C ATOM 0 H ILE A 91 -11.459 9.454 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.790 11.184 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 91 -11.032 8.742 0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -14.050 8.787 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.855 8.245 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -12.411 8.493 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.536 10.043 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.275 9.994 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -13.915 6.338 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -12.183 6.412 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -13.397 6.963 1.083 1.00 0.00 H new ATOM 1538 N PHE A 92 -9.442 10.988 -0.493 1.00 0.00 N ATOM 1539 CA PHE A 92 -8.158 11.458 0.093 1.00 0.00 C ATOM 1540 C PHE A 92 -7.439 12.480 -0.793 1.00 0.00 C ATOM 1541 O PHE A 92 -6.319 12.886 -0.473 1.00 0.00 O ATOM 1542 CB PHE A 92 -7.232 10.254 0.379 1.00 0.00 C ATOM 1543 CG PHE A 92 -7.934 9.153 1.151 1.00 0.00 C ATOM 1544 CD1 PHE A 92 -8.381 9.359 2.460 1.00 0.00 C ATOM 1545 CD2 PHE A 92 -8.185 7.928 0.555 1.00 0.00 C ATOM 1546 CE1 PHE A 92 -9.050 8.360 3.138 1.00 0.00 C ATOM 1547 CE2 PHE A 92 -8.851 6.943 1.228 1.00 0.00 C ATOM 1548 CZ PHE A 92 -9.285 7.151 2.516 1.00 0.00 C ATOM 0 H PHE A 92 -9.318 10.298 -1.234 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.402 11.965 1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.861 9.853 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.364 10.593 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.201 10.307 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.850 7.749 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.388 8.524 4.151 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.038 5.995 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.810 6.367 3.041 1.00 0.00 H new ATOM 1558 N GLU A 93 -8.088 12.901 -1.892 1.00 0.00 N ATOM 1559 CA GLU A 93 -7.553 13.946 -2.795 1.00 0.00 C ATOM 1560 C GLU A 93 -7.341 15.284 -2.048 1.00 0.00 C ATOM 1561 O GLU A 93 -6.479 16.088 -2.422 1.00 0.00 O ATOM 1562 CB GLU A 93 -8.507 14.158 -3.996 1.00 0.00 C ATOM 1563 CG GLU A 93 -9.948 14.514 -3.598 1.00 0.00 C ATOM 1564 CD GLU A 93 -10.769 15.089 -4.757 1.00 0.00 C ATOM 1565 OE1 GLU A 93 -11.390 14.314 -5.517 1.00 0.00 O ATOM 1566 OE2 GLU A 93 -10.789 16.326 -4.922 1.00 0.00 O ATOM 0 H GLU A 93 -8.993 12.532 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.584 13.605 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.109 14.953 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.522 13.250 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.444 13.621 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.925 15.238 -2.783 1.00 0.00 H new ATOM 1573 N LYS A 94 -8.133 15.481 -0.977 1.00 0.00 N ATOM 1574 CA LYS A 94 -8.135 16.707 -0.170 1.00 0.00 C ATOM 1575 C LYS A 94 -6.911 16.756 0.773 1.00 0.00 C ATOM 1576 O LYS A 94 -6.427 17.838 1.117 1.00 0.00 O ATOM 1577 CB LYS A 94 -9.450 16.784 0.666 1.00 0.00 C ATOM 1578 CG LYS A 94 -10.754 16.453 -0.111 1.00 0.00 C ATOM 1579 CD LYS A 94 -11.012 17.360 -1.345 1.00 0.00 C ATOM 1580 CE LYS A 94 -11.266 18.833 -0.988 1.00 0.00 C ATOM 1581 NZ LYS A 94 -11.540 19.648 -2.199 1.00 0.00 N ATOM 0 H LYS A 94 -8.797 14.781 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.079 17.561 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.365 16.098 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.539 17.788 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.713 15.415 -0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.600 16.538 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.154 17.301 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.871 16.975 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.111 18.902 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.399 19.236 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.707 20.636 -1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.723 19.602 -2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.382 19.277 -2.684 1.00 0.00 H new ATOM 1595 N LYS A 95 -6.420 15.569 1.188 1.00 0.00 N ATOM 1596 CA LYS A 95 -5.353 15.452 2.208 1.00 0.00 C ATOM 1597 C LYS A 95 -4.053 14.854 1.620 1.00 0.00 C ATOM 1598 O LYS A 95 -3.006 15.513 1.656 1.00 0.00 O ATOM 1599 CB LYS A 95 -5.834 14.657 3.477 1.00 0.00 C ATOM 1600 CG LYS A 95 -6.660 13.359 3.248 1.00 0.00 C ATOM 1601 CD LYS A 95 -8.166 13.618 2.972 1.00 0.00 C ATOM 1602 CE LYS A 95 -8.867 14.401 4.095 1.00 0.00 C ATOM 1603 NZ LYS A 95 -8.736 13.735 5.416 1.00 0.00 N ATOM 0 H LYS A 95 -6.748 14.672 0.830 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.121 16.466 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.953 14.395 4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.433 15.332 4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.234 12.812 2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.565 12.719 4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.267 14.169 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.672 12.662 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.445 15.404 4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.923 14.514 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.224 14.300 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.162 12.787 5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.730 13.650 5.664 1.00 0.00 H new ATOM 1617 N ILE A 96 -4.116 13.615 1.088 1.00 0.00 N ATOM 1618 CA ILE A 96 -2.924 12.913 0.558 1.00 0.00 C ATOM 1619 C ILE A 96 -2.627 13.379 -0.879 1.00 0.00 C ATOM 1620 O ILE A 96 -3.184 12.846 -1.851 1.00 0.00 O ATOM 1621 CB ILE A 96 -3.072 11.340 0.587 1.00 0.00 C ATOM 1622 CG1 ILE A 96 -3.662 10.842 1.947 1.00 0.00 C ATOM 1623 CG2 ILE A 96 -1.704 10.653 0.288 1.00 0.00 C ATOM 1624 CD1 ILE A 96 -2.863 11.227 3.183 1.00 0.00 C ATOM 0 H ILE A 96 -4.980 13.078 1.013 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.093 13.171 1.214 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.776 11.059 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.673 11.236 2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.745 9.756 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.827 9.570 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.353 10.956 -0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.974 10.952 1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.356 10.834 4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.858 10.810 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.801 12.313 3.253 1.00 0.00 H new ATOM 1636 N GLU A 97 -1.775 14.405 -0.981 1.00 0.00 N ATOM 1637 CA GLU A 97 -1.313 14.970 -2.260 1.00 0.00 C ATOM 1638 C GLU A 97 -0.406 13.969 -2.997 1.00 0.00 C ATOM 1639 O GLU A 97 -0.480 13.820 -4.221 1.00 0.00 O ATOM 1640 CB GLU A 97 -0.543 16.287 -1.993 1.00 0.00 C ATOM 1641 CG GLU A 97 -1.352 17.339 -1.208 1.00 0.00 C ATOM 1642 CD GLU A 97 -0.533 18.591 -0.867 1.00 0.00 C ATOM 1643 OE1 GLU A 97 -0.328 19.446 -1.756 1.00 0.00 O ATOM 1644 OE2 GLU A 97 -0.080 18.724 0.294 1.00 0.00 O ATOM 0 H GLU A 97 -1.379 14.875 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.179 15.176 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.368 16.057 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.237 16.717 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.224 17.630 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.722 16.891 -0.286 1.00 0.00 H new ATOM 1651 N ASP A 98 0.415 13.249 -2.212 1.00 0.00 N ATOM 1652 CA ASP A 98 1.436 12.303 -2.718 1.00 0.00 C ATOM 1653 C ASP A 98 0.847 10.922 -3.060 1.00 0.00 C ATOM 1654 O ASP A 98 1.577 9.926 -3.048 1.00 0.00 O ATOM 1655 CB ASP A 98 2.560 12.143 -1.658 1.00 0.00 C ATOM 1656 CG ASP A 98 3.348 13.437 -1.428 1.00 0.00 C ATOM 1657 OD1 ASP A 98 4.323 13.680 -2.169 1.00 0.00 O ATOM 1658 OD2 ASP A 98 2.985 14.215 -0.520 1.00 0.00 O ATOM 0 H ASP A 98 0.391 13.306 -1.194 1.00 0.00 H new ATOM 0 HA ASP A 98 1.837 12.719 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.120 11.818 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.245 11.358 -1.977 1.00 0.00 H new ATOM 1663 N TYR A 99 -0.447 10.874 -3.428 1.00 0.00 N ATOM 1664 CA TYR A 99 -1.166 9.612 -3.669 1.00 0.00 C ATOM 1665 C TYR A 99 -0.540 8.822 -4.845 1.00 0.00 C ATOM 1666 O TYR A 99 -0.511 7.602 -4.818 1.00 0.00 O ATOM 1667 CB TYR A 99 -2.687 9.885 -3.934 1.00 0.00 C ATOM 1668 CG TYR A 99 -3.058 10.204 -5.399 1.00 0.00 C ATOM 1669 CD1 TYR A 99 -2.789 11.456 -5.964 1.00 0.00 C ATOM 1670 CD2 TYR A 99 -3.655 9.232 -6.226 1.00 0.00 C ATOM 1671 CE1 TYR A 99 -3.106 11.724 -7.284 1.00 0.00 C ATOM 1672 CE2 TYR A 99 -3.965 9.502 -7.541 1.00 0.00 C ATOM 1673 CZ TYR A 99 -3.690 10.746 -8.066 1.00 0.00 C ATOM 1674 OH TYR A 99 -4.000 11.014 -9.379 1.00 0.00 O ATOM 0 H TYR A 99 -1.020 11.706 -3.566 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.075 9.000 -2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.256 9.012 -3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.004 10.719 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.327 12.224 -5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.874 8.255 -5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.897 12.697 -7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.422 8.742 -8.158 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.403 10.220 -9.788 1.00 0.00 H new ATOM 1684 N ASN A 100 -0.017 9.559 -5.854 1.00 0.00 N ATOM 1685 CA ASN A 100 0.459 8.989 -7.139 1.00 0.00 C ATOM 1686 C ASN A 100 2.000 8.834 -7.139 1.00 0.00 C ATOM 1687 O ASN A 100 2.638 8.771 -8.198 1.00 0.00 O ATOM 1688 CB ASN A 100 -0.027 9.902 -8.311 1.00 0.00 C ATOM 1689 CG ASN A 100 -0.178 9.182 -9.662 1.00 0.00 C ATOM 1690 OD1 ASN A 100 0.516 8.212 -9.961 1.00 0.00 O ATOM 1691 ND2 ASN A 100 -1.102 9.652 -10.485 1.00 0.00 N ATOM 0 H ASN A 100 0.087 10.572 -5.800 1.00 0.00 H new ATOM 0 HA ASN A 100 0.041 7.991 -7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.987 10.341 -8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.678 10.725 -8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.251 9.208 -11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.665 10.458 -10.213 1.00 0.00 H new ATOM 1698 N PHE A 101 2.594 8.771 -5.941 1.00 0.00 N ATOM 1699 CA PHE A 101 4.022 8.485 -5.785 1.00 0.00 C ATOM 1700 C PHE A 101 4.207 6.965 -5.907 1.00 0.00 C ATOM 1701 O PHE A 101 3.621 6.212 -5.132 1.00 0.00 O ATOM 1702 CB PHE A 101 4.539 9.019 -4.422 1.00 0.00 C ATOM 1703 CG PHE A 101 6.000 8.668 -4.105 1.00 0.00 C ATOM 1704 CD1 PHE A 101 7.048 9.375 -4.688 1.00 0.00 C ATOM 1705 CD2 PHE A 101 6.318 7.623 -3.230 1.00 0.00 C ATOM 1706 CE1 PHE A 101 8.363 9.052 -4.406 1.00 0.00 C ATOM 1707 CE2 PHE A 101 7.632 7.302 -2.949 1.00 0.00 C ATOM 1708 CZ PHE A 101 8.652 8.016 -3.536 1.00 0.00 C ATOM 0 H PHE A 101 2.101 8.916 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 101 4.604 8.988 -6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.429 10.103 -4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.905 8.624 -3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.832 10.185 -5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.523 7.058 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 101 9.166 9.610 -4.866 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.858 6.493 -2.270 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.680 7.767 -3.317 1.00 0.00 H new ATOM 1718 N GLY A 102 4.990 6.529 -6.903 1.00 0.00 N ATOM 1719 CA GLY A 102 5.238 5.106 -7.133 1.00 0.00 C ATOM 1720 C GLY A 102 5.920 4.433 -5.946 1.00 0.00 C ATOM 1721 O GLY A 102 6.997 4.869 -5.529 1.00 0.00 O ATOM 0 H GLY A 102 5.463 7.147 -7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.292 4.604 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.860 4.988 -8.020 1.00 0.00 H new ATOM 1725 N THR A 103 5.248 3.432 -5.355 1.00 0.00 N ATOM 1726 CA THR A 103 5.779 2.639 -4.229 1.00 0.00 C ATOM 1727 C THR A 103 5.460 1.139 -4.449 1.00 0.00 C ATOM 1728 O THR A 103 4.366 0.802 -4.917 1.00 0.00 O ATOM 1729 CB THR A 103 5.160 3.130 -2.867 1.00 0.00 C ATOM 1730 OG1 THR A 103 5.317 4.555 -2.733 1.00 0.00 O ATOM 1731 CG2 THR A 103 5.814 2.444 -1.655 1.00 0.00 C ATOM 0 H THR A 103 4.313 3.146 -5.646 1.00 0.00 H new ATOM 0 HA THR A 103 6.860 2.773 -4.184 1.00 0.00 H new ATOM 0 HB THR A 103 4.103 2.865 -2.885 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.247 4.801 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.356 2.813 -0.737 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.669 1.366 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.881 2.666 -1.643 1.00 0.00 H new ATOM 1739 N LEU A 104 6.427 0.252 -4.127 1.00 0.00 N ATOM 1740 CA LEU A 104 6.249 -1.213 -4.234 1.00 0.00 C ATOM 1741 C LEU A 104 5.445 -1.733 -3.029 1.00 0.00 C ATOM 1742 O LEU A 104 5.906 -1.622 -1.887 1.00 0.00 O ATOM 1743 CB LEU A 104 7.616 -1.962 -4.296 1.00 0.00 C ATOM 1744 CG LEU A 104 8.459 -1.799 -5.598 1.00 0.00 C ATOM 1745 CD1 LEU A 104 9.085 -0.394 -5.718 1.00 0.00 C ATOM 1746 CD2 LEU A 104 9.538 -2.907 -5.710 1.00 0.00 C ATOM 0 H LEU A 104 7.348 0.529 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 104 5.710 -1.409 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.224 -1.626 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.426 -3.025 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 104 7.772 -1.911 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.662 -0.330 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.295 0.357 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.741 -0.214 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.109 -2.767 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.209 -2.850 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.055 -3.884 -5.729 1.00 0.00 H new ATOM 1758 N LEU A 105 4.254 -2.294 -3.292 1.00 0.00 N ATOM 1759 CA LEU A 105 3.397 -2.902 -2.255 1.00 0.00 C ATOM 1760 C LEU A 105 3.515 -4.426 -2.291 1.00 0.00 C ATOM 1761 O LEU A 105 3.371 -5.040 -3.360 1.00 0.00 O ATOM 1762 CB LEU A 105 1.926 -2.465 -2.452 1.00 0.00 C ATOM 1763 CG LEU A 105 0.863 -3.071 -1.475 1.00 0.00 C ATOM 1764 CD1 LEU A 105 1.218 -2.823 0.015 1.00 0.00 C ATOM 1765 CD2 LEU A 105 -0.541 -2.520 -1.808 1.00 0.00 C ATOM 0 H LEU A 105 3.855 -2.340 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 105 3.733 -2.556 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.882 -1.379 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.632 -2.718 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 105 0.865 -4.151 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.449 -3.263 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.181 -3.281 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.273 -1.751 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.272 -2.948 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.540 -1.435 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.803 -2.787 -2.832 1.00 0.00 H new ATOM 1777 N ARG A 106 3.784 -5.019 -1.107 1.00 0.00 N ATOM 1778 CA ARG A 106 3.864 -6.476 -0.945 1.00 0.00 C ATOM 1779 C ARG A 106 2.468 -7.110 -1.143 1.00 0.00 C ATOM 1780 O ARG A 106 1.516 -6.825 -0.402 1.00 0.00 O ATOM 1781 CB ARG A 106 4.514 -6.904 0.415 1.00 0.00 C ATOM 1782 CG ARG A 106 3.878 -6.320 1.705 1.00 0.00 C ATOM 1783 CD ARG A 106 4.491 -4.981 2.157 1.00 0.00 C ATOM 1784 NE ARG A 106 5.896 -5.128 2.606 1.00 0.00 N ATOM 1785 CZ ARG A 106 6.457 -4.487 3.651 1.00 0.00 C ATOM 1786 NH1 ARG A 106 5.758 -3.639 4.389 1.00 0.00 N ATOM 1787 NH2 ARG A 106 7.727 -4.714 3.954 1.00 0.00 N ATOM 0 H ARG A 106 3.950 -4.499 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 106 4.531 -6.856 -1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.480 -7.991 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.566 -6.618 0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.810 -6.181 1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.984 -7.046 2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.448 -4.268 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.894 -4.566 2.969 1.00 0.00 H new ATOM 0 HE ARG A 106 6.489 -5.769 2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.778 -3.461 4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.200 -3.163 5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.275 -5.371 3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.157 -4.232 4.743 1.00 0.00 H new ATOM 1801 N THR A 107 2.381 -7.967 -2.169 1.00 0.00 N ATOM 1802 CA THR A 107 1.134 -8.588 -2.642 1.00 0.00 C ATOM 1803 C THR A 107 0.766 -9.853 -1.843 1.00 0.00 C ATOM 1804 O THR A 107 -0.182 -10.555 -2.201 1.00 0.00 O ATOM 1805 CB THR A 107 1.282 -8.945 -4.154 1.00 0.00 C ATOM 1806 OG1 THR A 107 2.397 -9.836 -4.327 1.00 0.00 O ATOM 1807 CG2 THR A 107 1.502 -7.693 -5.013 1.00 0.00 C ATOM 0 H THR A 107 3.197 -8.256 -2.708 1.00 0.00 H new ATOM 0 HA THR A 107 0.328 -7.869 -2.494 1.00 0.00 H new ATOM 0 HB THR A 107 0.357 -9.422 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.786 -9.704 -5.217 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.600 -7.982 -6.059 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.651 -7.021 -4.901 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.411 -7.185 -4.690 1.00 0.00 H new ATOM 1815 N ASP A 108 1.530 -10.137 -0.775 1.00 0.00 N ATOM 1816 CA ASP A 108 1.300 -11.292 0.113 1.00 0.00 C ATOM 1817 C ASP A 108 1.780 -10.945 1.533 1.00 0.00 C ATOM 1818 O ASP A 108 2.534 -9.968 1.714 1.00 0.00 O ATOM 1819 CB ASP A 108 2.019 -12.553 -0.452 1.00 0.00 C ATOM 1820 CG ASP A 108 1.735 -13.830 0.348 1.00 0.00 C ATOM 1821 OD1 ASP A 108 0.649 -14.421 0.166 1.00 0.00 O ATOM 1822 OD2 ASP A 108 2.573 -14.234 1.187 1.00 0.00 O ATOM 0 H ASP A 108 2.331 -9.568 -0.500 1.00 0.00 H new ATOM 0 HA ASP A 108 0.235 -11.520 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.709 -12.705 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.094 -12.373 -0.465 1.00 0.00 H new ATOM 1827 N ALA A 109 1.306 -11.719 2.543 1.00 0.00 N ATOM 1828 CA ALA A 109 1.718 -11.544 3.948 1.00 0.00 C ATOM 1829 C ALA A 109 3.234 -11.735 4.078 1.00 0.00 C ATOM 1830 O ALA A 109 3.944 -10.811 4.468 1.00 0.00 O ATOM 1831 CB ALA A 109 0.970 -12.499 4.893 1.00 0.00 C ATOM 0 H ALA A 109 0.634 -12.473 2.402 1.00 0.00 H new ATOM 0 HA ALA A 109 1.456 -10.529 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.306 -12.335 5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.102 -12.310 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.175 -13.530 4.605 1.00 0.00 H new ATOM 1837 N SER A 110 3.716 -12.907 3.633 1.00 0.00 N ATOM 1838 CA SER A 110 5.127 -13.316 3.758 1.00 0.00 C ATOM 1839 C SER A 110 5.942 -12.897 2.501 1.00 0.00 C ATOM 1840 O SER A 110 6.943 -13.536 2.149 1.00 0.00 O ATOM 1841 CB SER A 110 5.177 -14.845 3.988 1.00 0.00 C ATOM 1842 OG SER A 110 6.468 -15.285 4.387 1.00 0.00 O ATOM 0 H SER A 110 3.132 -13.605 3.172 1.00 0.00 H new ATOM 0 HA SER A 110 5.585 -12.811 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 110 4.449 -15.120 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.887 -15.358 3.071 1.00 0.00 H new ATOM 0 HG SER A 110 7.145 -14.883 3.804 1.00 0.00 H new ATOM 1848 N ALA A 111 5.531 -11.786 1.860 1.00 0.00 N ATOM 1849 CA ALA A 111 6.190 -11.265 0.652 1.00 0.00 C ATOM 1850 C ALA A 111 7.360 -10.326 1.004 1.00 0.00 C ATOM 1851 O ALA A 111 7.242 -9.458 1.883 1.00 0.00 O ATOM 1852 CB ALA A 111 5.178 -10.528 -0.232 1.00 0.00 C ATOM 0 H ALA A 111 4.734 -11.227 2.166 1.00 0.00 H new ATOM 0 HA ALA A 111 6.594 -12.117 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.681 -10.148 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.385 -11.215 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.747 -9.696 0.324 1.00 0.00 H new ATOM 1858 N GLU A 112 8.475 -10.516 0.286 1.00 0.00 N ATOM 1859 CA GLU A 112 9.654 -9.626 0.320 1.00 0.00 C ATOM 1860 C GLU A 112 9.510 -8.572 -0.796 1.00 0.00 C ATOM 1861 O GLU A 112 8.444 -8.479 -1.418 1.00 0.00 O ATOM 1862 CB GLU A 112 10.939 -10.484 0.134 1.00 0.00 C ATOM 1863 CG GLU A 112 10.934 -11.360 -1.141 1.00 0.00 C ATOM 1864 CD GLU A 112 12.101 -12.356 -1.203 1.00 0.00 C ATOM 1865 OE1 GLU A 112 12.048 -13.383 -0.489 1.00 0.00 O ATOM 1866 OE2 GLU A 112 13.078 -12.119 -1.948 1.00 0.00 O ATOM 0 H GLU A 112 8.590 -11.306 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 112 9.726 -9.107 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.804 -9.822 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 112 11.062 -11.129 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.994 -11.910 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.972 -10.713 -2.017 1.00 0.00 H new ATOM 1873 N TYR A 113 10.563 -7.771 -1.058 1.00 0.00 N ATOM 1874 CA TYR A 113 10.549 -6.811 -2.185 1.00 0.00 C ATOM 1875 C TYR A 113 11.257 -7.425 -3.413 1.00 0.00 C ATOM 1876 O TYR A 113 12.484 -7.409 -3.524 1.00 0.00 O ATOM 1877 CB TYR A 113 11.093 -5.397 -1.780 1.00 0.00 C ATOM 1878 CG TYR A 113 12.506 -5.325 -1.155 1.00 0.00 C ATOM 1879 CD1 TYR A 113 12.736 -5.700 0.176 1.00 0.00 C ATOM 1880 CD2 TYR A 113 13.600 -4.847 -1.890 1.00 0.00 C ATOM 1881 CE1 TYR A 113 13.997 -5.608 0.740 1.00 0.00 C ATOM 1882 CE2 TYR A 113 14.858 -4.751 -1.324 1.00 0.00 C ATOM 1883 CZ TYR A 113 15.053 -5.133 -0.012 1.00 0.00 C ATOM 1884 OH TYR A 113 16.310 -5.030 0.550 1.00 0.00 O ATOM 0 H TYR A 113 11.425 -7.768 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 113 9.513 -6.628 -2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 113 11.087 -4.767 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 113 10.390 -4.957 -1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 113 11.914 -6.068 0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 113 13.457 -4.548 -2.918 1.00 0.00 H new ATOM 0 HE1 TYR A 113 14.154 -5.907 1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 113 15.687 -4.378 -1.908 1.00 0.00 H new ATOM 0 HH TYR A 113 16.938 -4.679 -0.116 1.00 0.00 H new ATOM 1894 N GLY A 114 10.437 -8.026 -4.305 1.00 0.00 N ATOM 1895 CA GLY A 114 10.915 -8.682 -5.532 1.00 0.00 C ATOM 1896 C GLY A 114 10.035 -8.379 -6.747 1.00 0.00 C ATOM 1897 O GLY A 114 9.437 -7.303 -6.830 1.00 0.00 O ATOM 0 H GLY A 114 9.424 -8.067 -4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.935 -8.358 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.949 -9.760 -5.373 1.00 0.00 H new ATOM 1901 N GLN A 115 9.970 -9.335 -7.695 1.00 0.00 N ATOM 1902 CA GLN A 115 9.243 -9.172 -8.978 1.00 0.00 C ATOM 1903 C GLN A 115 7.720 -9.354 -8.794 1.00 0.00 C ATOM 1904 O GLN A 115 6.926 -8.490 -9.173 1.00 0.00 O ATOM 1905 CB GLN A 115 9.766 -10.214 -10.008 1.00 0.00 C ATOM 1906 CG GLN A 115 11.283 -10.149 -10.264 1.00 0.00 C ATOM 1907 CD GLN A 115 11.784 -11.272 -11.176 1.00 0.00 C ATOM 1908 OE1 GLN A 115 12.153 -12.350 -10.707 1.00 0.00 O ATOM 1909 NE2 GLN A 115 11.794 -11.033 -12.476 1.00 0.00 N ATOM 0 H GLN A 115 10.420 -10.245 -7.596 1.00 0.00 H new ATOM 0 HA GLN A 115 9.423 -8.160 -9.341 1.00 0.00 H new ATOM 0 HB2 GLN A 115 9.512 -11.214 -9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.244 -10.066 -10.953 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.529 -9.187 -10.713 1.00 0.00 H new ATOM 0 HG3 GLN A 115 11.809 -10.200 -9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.482 -10.129 -12.831 1.00 0.00 H new ATOM 0 HE22 GLN A 115 12.114 -11.752 -13.124 1.00 0.00 H new ATOM 1918 N PHE A 116 7.347 -10.499 -8.207 1.00 0.00 N ATOM 1919 CA PHE A 116 5.940 -10.916 -8.023 1.00 0.00 C ATOM 1920 C PHE A 116 5.477 -10.637 -6.589 1.00 0.00 C ATOM 1921 O PHE A 116 4.286 -10.419 -6.349 1.00 0.00 O ATOM 1922 CB PHE A 116 5.797 -12.431 -8.340 1.00 0.00 C ATOM 1923 CG PHE A 116 6.242 -12.811 -9.753 1.00 0.00 C ATOM 1924 CD1 PHE A 116 5.406 -12.587 -10.848 1.00 0.00 C ATOM 1925 CD2 PHE A 116 7.499 -13.374 -9.989 1.00 0.00 C ATOM 1926 CE1 PHE A 116 5.812 -12.916 -12.127 1.00 0.00 C ATOM 1927 CE2 PHE A 116 7.903 -13.701 -11.269 1.00 0.00 C ATOM 1928 CZ PHE A 116 7.059 -13.472 -12.338 1.00 0.00 C ATOM 0 H PHE A 116 8.018 -11.174 -7.840 1.00 0.00 H new ATOM 0 HA PHE A 116 5.314 -10.342 -8.706 1.00 0.00 H new ATOM 0 HB2 PHE A 116 6.384 -13.000 -7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 116 4.756 -12.724 -8.206 1.00 0.00 H new ATOM 0 HD1 PHE A 116 4.430 -12.151 -10.694 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.165 -13.556 -9.158 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.153 -12.738 -12.964 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.878 -14.135 -11.434 1.00 0.00 H new ATOM 0 HZ PHE A 116 7.374 -13.728 -13.339 1.00 0.00 H new ATOM 1938 N THR A 117 6.437 -10.658 -5.643 1.00 0.00 N ATOM 1939 CA THR A 117 6.166 -10.454 -4.210 1.00 0.00 C ATOM 1940 C THR A 117 5.810 -8.984 -3.906 1.00 0.00 C ATOM 1941 O THR A 117 5.160 -8.705 -2.899 1.00 0.00 O ATOM 1942 CB THR A 117 7.390 -10.902 -3.348 1.00 0.00 C ATOM 1943 OG1 THR A 117 8.581 -10.253 -3.818 1.00 0.00 O ATOM 1944 CG2 THR A 117 7.598 -12.429 -3.375 1.00 0.00 C ATOM 0 H THR A 117 7.422 -10.817 -5.854 1.00 0.00 H new ATOM 0 HA THR A 117 5.306 -11.070 -3.948 1.00 0.00 H new ATOM 0 HB THR A 117 7.182 -10.613 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.915 -9.642 -3.128 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.460 -12.690 -2.761 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.710 -12.924 -2.982 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.771 -12.755 -4.401 1.00 0.00 H new ATOM 1952 N THR A 118 6.253 -8.056 -4.774 1.00 0.00 N ATOM 1953 CA THR A 118 5.877 -6.633 -4.707 1.00 0.00 C ATOM 1954 C THR A 118 5.540 -6.115 -6.110 1.00 0.00 C ATOM 1955 O THR A 118 6.370 -6.199 -7.022 1.00 0.00 O ATOM 1956 CB THR A 118 7.008 -5.739 -4.076 1.00 0.00 C ATOM 1957 OG1 THR A 118 8.290 -6.114 -4.594 1.00 0.00 O ATOM 1958 CG2 THR A 118 7.030 -5.810 -2.541 1.00 0.00 C ATOM 0 H THR A 118 6.885 -8.274 -5.545 1.00 0.00 H new ATOM 0 HA THR A 118 5.004 -6.564 -4.059 1.00 0.00 H new ATOM 0 HB THR A 118 6.784 -4.709 -4.354 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.177 -6.543 -5.468 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.829 -5.175 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.073 -5.466 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.203 -6.839 -2.227 1.00 0.00 H new ATOM 1966 N CYS A 119 4.313 -5.587 -6.271 1.00 0.00 N ATOM 1967 CA CYS A 119 3.863 -4.939 -7.512 1.00 0.00 C ATOM 1968 C CYS A 119 3.928 -3.414 -7.335 1.00 0.00 C ATOM 1969 O CYS A 119 3.661 -2.895 -6.235 1.00 0.00 O ATOM 1970 CB CYS A 119 2.427 -5.387 -7.868 1.00 0.00 C ATOM 1971 SG CYS A 119 2.265 -7.162 -8.154 1.00 0.00 S ATOM 0 H CYS A 119 3.603 -5.599 -5.538 1.00 0.00 H new ATOM 0 HA CYS A 119 4.517 -5.234 -8.333 1.00 0.00 H new ATOM 0 HB2 CYS A 119 1.755 -5.096 -7.060 1.00 0.00 H new ATOM 0 HB3 CYS A 119 2.101 -4.854 -8.761 1.00 0.00 H new ATOM 0 HG CYS A 119 2.278 -7.399 -9.432 1.00 0.00 H new ATOM 1977 N PHE A 120 4.285 -2.708 -8.418 1.00 0.00 N ATOM 1978 CA PHE A 120 4.441 -1.246 -8.411 1.00 0.00 C ATOM 1979 C PHE A 120 3.050 -0.592 -8.473 1.00 0.00 C ATOM 1980 O PHE A 120 2.384 -0.629 -9.515 1.00 0.00 O ATOM 1981 CB PHE A 120 5.295 -0.785 -9.621 1.00 0.00 C ATOM 1982 CG PHE A 120 6.634 -1.508 -9.772 1.00 0.00 C ATOM 1983 CD1 PHE A 120 6.728 -2.704 -10.490 1.00 0.00 C ATOM 1984 CD2 PHE A 120 7.798 -0.993 -9.205 1.00 0.00 C ATOM 1985 CE1 PHE A 120 7.938 -3.355 -10.630 1.00 0.00 C ATOM 1986 CE2 PHE A 120 9.008 -1.644 -9.347 1.00 0.00 C ATOM 1987 CZ PHE A 120 9.079 -2.825 -10.059 1.00 0.00 C ATOM 0 H PHE A 120 4.474 -3.135 -9.325 1.00 0.00 H new ATOM 0 HA PHE A 120 4.951 -0.944 -7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.715 -0.929 -10.533 1.00 0.00 H new ATOM 0 HB3 PHE A 120 5.484 0.285 -9.528 1.00 0.00 H new ATOM 0 HD1 PHE A 120 5.842 -3.125 -10.942 1.00 0.00 H new ATOM 0 HD2 PHE A 120 7.753 -0.070 -8.646 1.00 0.00 H new ATOM 0 HE1 PHE A 120 7.992 -4.279 -11.186 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.900 -1.229 -8.901 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.025 -3.334 -10.169 1.00 0.00 H new ATOM 1997 N VAL A 121 2.611 -0.027 -7.346 1.00 0.00 N ATOM 1998 CA VAL A 121 1.312 0.666 -7.229 1.00 0.00 C ATOM 1999 C VAL A 121 1.559 2.145 -6.900 1.00 0.00 C ATOM 2000 O VAL A 121 2.714 2.572 -6.760 1.00 0.00 O ATOM 2001 CB VAL A 121 0.406 -0.004 -6.118 1.00 0.00 C ATOM 2002 CG1 VAL A 121 0.089 -1.484 -6.463 1.00 0.00 C ATOM 2003 CG2 VAL A 121 1.056 0.115 -4.714 1.00 0.00 C ATOM 0 H VAL A 121 3.147 -0.034 -6.478 1.00 0.00 H new ATOM 0 HA VAL A 121 0.782 0.586 -8.178 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.538 0.540 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -0.535 -1.915 -5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.440 -1.530 -7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.019 -2.048 -6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.409 -0.355 -3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.025 -0.384 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.191 1.167 -4.463 1.00 0.00 H new ATOM 2013 N VAL A 122 0.478 2.935 -6.799 1.00 0.00 N ATOM 2014 CA VAL A 122 0.569 4.313 -6.299 1.00 0.00 C ATOM 2015 C VAL A 122 0.619 4.293 -4.757 1.00 0.00 C ATOM 2016 O VAL A 122 0.202 3.312 -4.126 1.00 0.00 O ATOM 2017 CB VAL A 122 -0.605 5.223 -6.830 1.00 0.00 C ATOM 2018 CG1 VAL A 122 -0.667 5.203 -8.378 1.00 0.00 C ATOM 2019 CG2 VAL A 122 -1.974 4.856 -6.202 1.00 0.00 C ATOM 0 H VAL A 122 -0.465 2.643 -7.056 1.00 0.00 H new ATOM 0 HA VAL A 122 1.488 4.757 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.384 6.242 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.485 5.838 -8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.274 5.574 -8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.833 4.182 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.746 5.513 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.218 3.821 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.922 4.975 -5.120 1.00 0.00 H new ATOM 2029 N ARG A 123 1.115 5.384 -4.172 1.00 0.00 N ATOM 2030 CA ARG A 123 1.389 5.492 -2.721 1.00 0.00 C ATOM 2031 C ARG A 123 0.102 5.355 -1.884 1.00 0.00 C ATOM 2032 O ARG A 123 0.157 4.918 -0.740 1.00 0.00 O ATOM 2033 CB ARG A 123 2.074 6.848 -2.436 1.00 0.00 C ATOM 2034 CG ARG A 123 2.811 6.963 -1.083 1.00 0.00 C ATOM 2035 CD ARG A 123 3.501 8.331 -0.926 1.00 0.00 C ATOM 2036 NE ARG A 123 4.400 8.393 0.230 1.00 0.00 N ATOM 2037 CZ ARG A 123 5.324 9.343 0.435 1.00 0.00 C ATOM 2038 NH1 ARG A 123 5.547 10.297 -0.469 1.00 0.00 N ATOM 2039 NH2 ARG A 123 6.032 9.320 1.545 1.00 0.00 N ATOM 0 H ARG A 123 1.344 6.232 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 123 2.049 4.674 -2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 123 2.789 7.046 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.318 7.632 -2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 123 2.102 6.817 -0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 123 3.554 6.169 -1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 123 4.067 8.552 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.740 9.106 -0.829 1.00 0.00 H new ATOM 0 HE ARG A 123 4.316 7.658 0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 123 5.010 10.314 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 123 6.255 11.010 -0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 123 5.874 8.586 2.235 1.00 0.00 H new ATOM 0 HH22 ARG A 123 6.738 10.036 1.714 1.00 0.00 H new ATOM 2053 N LEU A 124 -1.051 5.725 -2.482 1.00 0.00 N ATOM 2054 CA LEU A 124 -2.371 5.603 -1.830 1.00 0.00 C ATOM 2055 C LEU A 124 -2.738 4.109 -1.676 1.00 0.00 C ATOM 2056 O LEU A 124 -3.197 3.695 -0.614 1.00 0.00 O ATOM 2057 CB LEU A 124 -3.467 6.377 -2.642 1.00 0.00 C ATOM 2058 CG LEU A 124 -4.628 7.051 -1.820 1.00 0.00 C ATOM 2059 CD1 LEU A 124 -5.462 6.047 -1.023 1.00 0.00 C ATOM 2060 CD2 LEU A 124 -4.084 8.148 -0.891 1.00 0.00 C ATOM 0 H LEU A 124 -1.092 6.114 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.322 6.053 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.971 7.153 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.915 5.682 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.294 7.503 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.245 6.575 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -5.916 5.328 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -4.820 5.521 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.908 8.596 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.370 7.712 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.588 8.915 -1.485 1.00 0.00 H new ATOM 2072 N GLN A 125 -2.507 3.317 -2.750 1.00 0.00 N ATOM 2073 CA GLN A 125 -2.781 1.858 -2.753 1.00 0.00 C ATOM 2074 C GLN A 125 -1.845 1.130 -1.775 1.00 0.00 C ATOM 2075 O GLN A 125 -2.304 0.255 -1.017 1.00 0.00 O ATOM 2076 CB GLN A 125 -2.623 1.253 -4.172 1.00 0.00 C ATOM 2077 CG GLN A 125 -3.649 1.740 -5.211 1.00 0.00 C ATOM 2078 CD GLN A 125 -3.374 1.172 -6.610 1.00 0.00 C ATOM 2079 OE1 GLN A 125 -2.635 1.765 -7.399 1.00 0.00 O ATOM 2080 NE2 GLN A 125 -3.947 0.017 -6.921 1.00 0.00 N ATOM 0 H GLN A 125 -2.129 3.666 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 125 -3.814 1.721 -2.434 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -1.622 1.483 -4.538 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -2.693 0.168 -4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.650 1.449 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -3.631 2.829 -5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.554 -0.449 -6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -3.781 -0.405 -7.835 1.00 0.00 H new ATOM 2089 N PHE A 126 -0.536 1.512 -1.801 1.00 0.00 N ATOM 2090 CA PHE A 126 0.471 0.979 -0.871 1.00 0.00 C ATOM 2091 C PHE A 126 0.003 1.178 0.566 1.00 0.00 C ATOM 2092 O PHE A 126 -0.170 0.206 1.300 1.00 0.00 O ATOM 2093 CB PHE A 126 1.868 1.638 -1.075 1.00 0.00 C ATOM 2094 CG PHE A 126 2.898 1.193 -0.022 1.00 0.00 C ATOM 2095 CD1 PHE A 126 3.553 -0.025 -0.137 1.00 0.00 C ATOM 2096 CD2 PHE A 126 3.172 1.973 1.100 1.00 0.00 C ATOM 2097 CE1 PHE A 126 4.449 -0.450 0.822 1.00 0.00 C ATOM 2098 CE2 PHE A 126 4.057 1.545 2.065 1.00 0.00 C ATOM 2099 CZ PHE A 126 4.698 0.333 1.924 1.00 0.00 C ATOM 0 H PHE A 126 -0.164 2.192 -2.465 1.00 0.00 H new ATOM 0 HA PHE A 126 0.581 -0.085 -1.079 1.00 0.00 H new ATOM 0 HB2 PHE A 126 2.240 1.389 -2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 126 1.762 2.722 -1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 126 3.357 -0.652 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 126 2.682 2.929 1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 126 4.955 -1.397 0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 126 4.249 2.159 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 126 5.395 -0.001 2.678 1.00 0.00 H new ATOM 2109 N TYR A 127 -0.237 2.459 0.916 1.00 0.00 N ATOM 2110 CA TYR A 127 -0.673 2.869 2.253 1.00 0.00 C ATOM 2111 C TYR A 127 -1.935 2.113 2.662 1.00 0.00 C ATOM 2112 O TYR A 127 -1.959 1.541 3.716 1.00 0.00 O ATOM 2113 CB TYR A 127 -0.893 4.412 2.332 1.00 0.00 C ATOM 2114 CG TYR A 127 0.391 5.259 2.439 1.00 0.00 C ATOM 2115 CD1 TYR A 127 1.643 4.678 2.681 1.00 0.00 C ATOM 2116 CD2 TYR A 127 0.340 6.648 2.334 1.00 0.00 C ATOM 2117 CE1 TYR A 127 2.781 5.445 2.809 1.00 0.00 C ATOM 2118 CE2 TYR A 127 1.480 7.417 2.469 1.00 0.00 C ATOM 2119 CZ TYR A 127 2.694 6.811 2.708 1.00 0.00 C ATOM 2120 OH TYR A 127 3.831 7.580 2.862 1.00 0.00 O ATOM 0 H TYR A 127 -0.131 3.239 0.268 1.00 0.00 H new ATOM 0 HA TYR A 127 0.120 2.616 2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -1.444 4.729 1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -1.523 4.628 3.194 1.00 0.00 H new ATOM 0 HD1 TYR A 127 1.718 3.604 2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -0.607 7.131 2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 127 3.736 4.974 2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 127 1.419 8.492 2.387 1.00 0.00 H new ATOM 0 HH TYR A 127 4.625 7.020 2.734 1.00 0.00 H new ATOM 2130 N ALA A 128 -2.920 2.050 1.767 1.00 0.00 N ATOM 2131 CA ALA A 128 -4.237 1.425 2.023 1.00 0.00 C ATOM 2132 C ALA A 128 -4.122 0.020 2.673 1.00 0.00 C ATOM 2133 O ALA A 128 -4.583 -0.210 3.816 1.00 0.00 O ATOM 2134 CB ALA A 128 -4.996 1.352 0.699 1.00 0.00 C ATOM 0 H ALA A 128 -2.834 2.435 0.826 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.778 2.040 2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.971 0.894 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.130 2.358 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.429 0.752 -0.013 1.00 0.00 H new ATOM 2140 N PHE A 129 -3.432 -0.886 1.959 1.00 0.00 N ATOM 2141 CA PHE A 129 -3.197 -2.261 2.436 1.00 0.00 C ATOM 2142 C PHE A 129 -2.150 -2.299 3.571 1.00 0.00 C ATOM 2143 O PHE A 129 -2.239 -3.157 4.449 1.00 0.00 O ATOM 2144 CB PHE A 129 -2.754 -3.179 1.268 1.00 0.00 C ATOM 2145 CG PHE A 129 -3.844 -3.447 0.227 1.00 0.00 C ATOM 2146 CD1 PHE A 129 -4.022 -2.602 -0.868 1.00 0.00 C ATOM 2147 CD2 PHE A 129 -4.685 -4.556 0.343 1.00 0.00 C ATOM 2148 CE1 PHE A 129 -4.998 -2.853 -1.810 1.00 0.00 C ATOM 2149 CE2 PHE A 129 -5.665 -4.806 -0.600 1.00 0.00 C ATOM 2150 CZ PHE A 129 -5.821 -3.956 -1.677 1.00 0.00 C ATOM 0 H PHE A 129 -3.025 -0.690 1.045 1.00 0.00 H new ATOM 0 HA PHE A 129 -4.140 -2.632 2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -1.897 -2.726 0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -2.418 -4.131 1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -3.385 -1.737 -0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -4.568 -5.228 1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -5.119 -2.188 -2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -6.309 -5.667 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 129 -6.585 -4.153 -2.415 1.00 0.00 H new ATOM 2160 N GLU A 130 -1.187 -1.349 3.561 1.00 0.00 N ATOM 2161 CA GLU A 130 -0.067 -1.334 4.531 1.00 0.00 C ATOM 2162 C GLU A 130 -0.553 -0.963 5.943 1.00 0.00 C ATOM 2163 O GLU A 130 -0.130 -1.564 6.920 1.00 0.00 O ATOM 2164 CB GLU A 130 1.060 -0.367 4.089 1.00 0.00 C ATOM 2165 CG GLU A 130 2.382 -0.538 4.869 1.00 0.00 C ATOM 2166 CD GLU A 130 2.999 -1.943 4.709 1.00 0.00 C ATOM 2167 OE1 GLU A 130 3.251 -2.354 3.556 1.00 0.00 O ATOM 2168 OE2 GLU A 130 3.229 -2.649 5.723 1.00 0.00 O ATOM 0 H GLU A 130 -1.163 -0.581 2.890 1.00 0.00 H new ATOM 0 HA GLU A 130 0.340 -2.345 4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 130 1.256 -0.516 3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.711 0.659 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 130 3.099 0.209 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 130 2.201 -0.345 5.926 1.00 0.00 H new ATOM 2175 N ILE A 131 -1.462 0.015 6.016 1.00 0.00 N ATOM 2176 CA ILE A 131 -2.066 0.486 7.272 1.00 0.00 C ATOM 2177 C ILE A 131 -2.935 -0.635 7.843 1.00 0.00 C ATOM 2178 O ILE A 131 -2.867 -0.930 9.031 1.00 0.00 O ATOM 2179 CB ILE A 131 -2.946 1.771 7.043 1.00 0.00 C ATOM 2180 CG1 ILE A 131 -2.112 2.906 6.369 1.00 0.00 C ATOM 2181 CG2 ILE A 131 -3.568 2.270 8.375 1.00 0.00 C ATOM 2182 CD1 ILE A 131 -2.929 3.923 5.597 1.00 0.00 C ATOM 0 H ILE A 131 -1.806 0.511 5.193 1.00 0.00 H new ATOM 0 HA ILE A 131 -1.269 0.749 7.968 1.00 0.00 H new ATOM 0 HB ILE A 131 -3.760 1.498 6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.544 3.427 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -1.388 2.453 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -4.170 3.158 8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.199 1.488 8.798 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.773 2.515 9.079 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -2.264 4.671 5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -3.476 3.420 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.634 4.410 6.270 1.00 0.00 H new ATOM 2194 N ALA A 132 -3.721 -1.273 6.948 1.00 0.00 N ATOM 2195 CA ALA A 132 -4.567 -2.427 7.290 1.00 0.00 C ATOM 2196 C ALA A 132 -3.761 -3.540 7.981 1.00 0.00 C ATOM 2197 O ALA A 132 -4.061 -3.933 9.113 1.00 0.00 O ATOM 2198 CB ALA A 132 -5.243 -2.956 6.022 1.00 0.00 C ATOM 0 H ALA A 132 -3.783 -0.998 5.968 1.00 0.00 H new ATOM 0 HA ALA A 132 -5.328 -2.098 7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -5.870 -3.811 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -5.859 -2.171 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -4.482 -3.263 5.305 1.00 0.00 H new ATOM 2204 N ARG A 133 -2.705 -3.999 7.297 1.00 0.00 N ATOM 2205 CA ARG A 133 -1.844 -5.091 7.774 1.00 0.00 C ATOM 2206 C ARG A 133 -0.938 -4.650 8.944 1.00 0.00 C ATOM 2207 O ARG A 133 -0.465 -5.494 9.686 1.00 0.00 O ATOM 2208 CB ARG A 133 -0.999 -5.656 6.599 1.00 0.00 C ATOM 2209 CG ARG A 133 0.052 -4.682 6.034 1.00 0.00 C ATOM 2210 CD ARG A 133 0.666 -5.166 4.712 1.00 0.00 C ATOM 2211 NE ARG A 133 1.385 -6.436 4.877 1.00 0.00 N ATOM 2212 CZ ARG A 133 1.463 -7.409 3.962 1.00 0.00 C ATOM 2213 NH1 ARG A 133 0.749 -7.366 2.833 1.00 0.00 N ATOM 2214 NH2 ARG A 133 2.246 -8.436 4.194 1.00 0.00 N ATOM 0 H ARG A 133 -2.422 -3.622 6.393 1.00 0.00 H new ATOM 0 HA ARG A 133 -2.491 -5.880 8.157 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -0.492 -6.560 6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -1.672 -5.949 5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.410 -3.707 5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 133 0.845 -4.545 6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -0.122 -5.288 3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 133 1.350 -4.408 4.330 1.00 0.00 H new ATOM 0 HE ARG A 133 1.865 -6.589 5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.126 -6.578 2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.827 -8.121 2.151 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.782 -8.483 5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.318 -9.187 3.508 1.00 0.00 H new ATOM 2228 N ASN A 134 -0.707 -3.331 9.108 1.00 0.00 N ATOM 2229 CA ASN A 134 0.121 -2.797 10.219 1.00 0.00 C ATOM 2230 C ASN A 134 -0.668 -2.827 11.535 1.00 0.00 C ATOM 2231 O ASN A 134 -0.153 -3.253 12.576 1.00 0.00 O ATOM 2232 CB ASN A 134 0.621 -1.364 9.898 1.00 0.00 C ATOM 2233 CG ASN A 134 1.622 -0.823 10.925 1.00 0.00 C ATOM 2234 OD1 ASN A 134 2.822 -1.096 10.839 1.00 0.00 O ATOM 2235 ND2 ASN A 134 1.145 -0.047 11.892 1.00 0.00 N ATOM 0 H ASN A 134 -1.080 -2.613 8.487 1.00 0.00 H new ATOM 0 HA ASN A 134 0.998 -3.434 10.333 1.00 0.00 H new ATOM 0 HB2 ASN A 134 1.086 -1.362 8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 134 -0.235 -0.691 9.847 1.00 0.00 H new ATOM 0 HD21 ASN A 134 1.777 0.342 12.592 1.00 0.00 H new ATOM 0 HD22 ASN A 134 0.147 0.159 11.935 1.00 0.00 H new ATOM 2242 N LYS A 135 -1.939 -2.403 11.454 1.00 0.00 N ATOM 2243 CA LYS A 135 -2.867 -2.389 12.598 1.00 0.00 C ATOM 2244 C LYS A 135 -3.258 -3.827 13.001 1.00 0.00 C ATOM 2245 O LYS A 135 -3.514 -4.102 14.172 1.00 0.00 O ATOM 2246 CB LYS A 135 -4.136 -1.571 12.239 1.00 0.00 C ATOM 2247 CG LYS A 135 -3.875 -0.097 11.863 1.00 0.00 C ATOM 2248 CD LYS A 135 -5.161 0.643 11.418 1.00 0.00 C ATOM 2249 CE LYS A 135 -6.187 0.810 12.553 1.00 0.00 C ATOM 2250 NZ LYS A 135 -5.662 1.639 13.665 1.00 0.00 N ATOM 0 H LYS A 135 -2.355 -2.058 10.589 1.00 0.00 H new ATOM 0 HA LYS A 135 -2.367 -1.920 13.445 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -4.641 -2.059 11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.820 -1.599 13.087 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -3.440 0.420 12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -3.140 -0.056 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -4.892 1.626 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -5.623 0.094 10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -7.093 1.268 12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -6.467 -0.172 12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -6.032 1.282 14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -4.623 1.591 13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -5.962 2.626 13.534 1.00 0.00 H new ATOM 2264 N HIS A 136 -3.311 -4.731 12.004 1.00 0.00 N ATOM 2265 CA HIS A 136 -3.684 -6.148 12.211 1.00 0.00 C ATOM 2266 C HIS A 136 -2.447 -7.016 12.548 1.00 0.00 C ATOM 2267 O HIS A 136 -2.590 -8.099 13.118 1.00 0.00 O ATOM 2268 CB HIS A 136 -4.423 -6.701 10.955 1.00 0.00 C ATOM 2269 CG HIS A 136 -5.817 -6.159 10.741 1.00 0.00 C ATOM 2270 ND1 HIS A 136 -6.831 -6.897 10.166 1.00 0.00 N ATOM 2271 CD2 HIS A 136 -6.353 -4.941 11.001 1.00 0.00 C ATOM 2272 CE1 HIS A 136 -7.920 -6.162 10.086 1.00 0.00 C ATOM 2273 NE2 HIS A 136 -7.658 -4.973 10.587 1.00 0.00 N ATOM 0 H HIS A 136 -3.097 -4.502 11.033 1.00 0.00 H new ATOM 0 HA HIS A 136 -4.360 -6.197 13.064 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -3.824 -6.478 10.072 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -4.480 -7.787 11.035 1.00 0.00 H new ATOM 0 HD1 HIS A 136 -6.749 -7.864 9.851 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -5.845 -4.101 11.451 1.00 0.00 H new ATOM 0 HE1 HIS A 136 -8.868 -6.480 9.678 1.00 0.00 H new ATOM 2282 N GLY A 137 -1.237 -6.535 12.191 1.00 0.00 N ATOM 2283 CA GLY A 137 0.018 -7.264 12.460 1.00 0.00 C ATOM 2284 C GLY A 137 0.366 -8.317 11.404 1.00 0.00 C ATOM 2285 O GLY A 137 1.140 -9.235 11.670 1.00 0.00 O ATOM 0 H GLY A 137 -1.104 -5.643 11.715 1.00 0.00 H new ATOM 0 HA2 GLY A 137 0.836 -6.546 12.526 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -0.058 -7.751 13.432 1.00 0.00 H new ATOM 2289 N LEU A 138 -0.194 -8.165 10.190 1.00 0.00 N ATOM 2290 CA LEU A 138 0.098 -9.038 9.018 1.00 0.00 C ATOM 2291 C LEU A 138 1.402 -8.585 8.293 1.00 0.00 C ATOM 2292 O LEU A 138 1.699 -9.028 7.174 1.00 0.00 O ATOM 2293 CB LEU A 138 -1.133 -9.051 8.049 1.00 0.00 C ATOM 2294 CG LEU A 138 -2.337 -9.997 8.422 1.00 0.00 C ATOM 2295 CD1 LEU A 138 -2.790 -9.850 9.885 1.00 0.00 C ATOM 2296 CD2 LEU A 138 -3.531 -9.760 7.477 1.00 0.00 C ATOM 0 H LEU A 138 -0.869 -7.429 9.984 1.00 0.00 H new ATOM 0 HA LEU A 138 0.269 -10.057 9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -1.515 -8.033 7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -0.778 -9.331 7.057 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.971 -11.016 8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -3.622 -10.528 10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -1.961 -10.094 10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.109 -8.824 10.066 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -4.351 -10.424 7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -3.860 -8.724 7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -3.228 -9.965 6.450 1.00 0.00 H new ATOM 2308 N ASN A 139 2.168 -7.695 8.951 1.00 0.00 N ATOM 2309 CA ASN A 139 3.515 -7.260 8.523 1.00 0.00 C ATOM 2310 C ASN A 139 4.480 -7.286 9.740 1.00 0.00 C ATOM 2311 O ASN A 139 5.555 -6.680 9.711 1.00 0.00 O ATOM 2312 CB ASN A 139 3.430 -5.831 7.901 1.00 0.00 C ATOM 2313 CG ASN A 139 3.020 -4.735 8.902 1.00 0.00 C ATOM 2314 OD1 ASN A 139 2.384 -5.011 9.922 1.00 0.00 O ATOM 2315 ND2 ASN A 139 3.344 -3.486 8.599 1.00 0.00 N ATOM 0 H ASN A 139 1.863 -7.247 9.815 1.00 0.00 H new ATOM 0 HA ASN A 139 3.902 -7.940 7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 139 4.399 -5.574 7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 139 2.713 -5.845 7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 139 3.067 -2.723 9.217 1.00 0.00 H new ATOM 0 HD22 ASN A 139 3.871 -3.288 7.748 1.00 0.00 H new ATOM 2322 N ASP A 140 4.079 -8.017 10.801 1.00 0.00 N ATOM 2323 CA ASP A 140 4.821 -8.071 12.083 1.00 0.00 C ATOM 2324 C ASP A 140 6.140 -8.852 11.944 1.00 0.00 C ATOM 2325 O ASP A 140 7.119 -8.526 12.591 1.00 0.00 O ATOM 2326 CB ASP A 140 3.926 -8.710 13.181 1.00 0.00 C ATOM 2327 CG ASP A 140 4.609 -8.851 14.562 1.00 0.00 C ATOM 2328 OD1 ASP A 140 4.558 -7.898 15.368 1.00 0.00 O ATOM 2329 OD2 ASP A 140 5.194 -9.924 14.845 1.00 0.00 O ATOM 0 H ASP A 140 3.233 -8.587 10.796 1.00 0.00 H new ATOM 0 HA ASP A 140 5.075 -7.051 12.371 1.00 0.00 H new ATOM 0 HB2 ASP A 140 3.025 -8.107 13.295 1.00 0.00 H new ATOM 0 HB3 ASP A 140 3.608 -9.697 12.844 1.00 0.00 H new ATOM 2334 N TRP A 141 6.157 -9.882 11.087 1.00 0.00 N ATOM 2335 CA TRP A 141 7.335 -10.774 10.926 1.00 0.00 C ATOM 2336 C TRP A 141 8.601 -10.022 10.431 1.00 0.00 C ATOM 2337 O TRP A 141 9.724 -10.514 10.624 1.00 0.00 O ATOM 2338 CB TRP A 141 6.994 -11.957 9.989 1.00 0.00 C ATOM 2339 CG TRP A 141 6.574 -11.536 8.603 1.00 0.00 C ATOM 2340 CD1 TRP A 141 5.320 -11.177 8.204 1.00 0.00 C ATOM 2341 CD2 TRP A 141 7.414 -11.420 7.448 1.00 0.00 C ATOM 2342 NE1 TRP A 141 5.333 -10.834 6.886 1.00 0.00 N ATOM 2343 CE2 TRP A 141 6.602 -10.982 6.396 1.00 0.00 C ATOM 2344 CE3 TRP A 141 8.773 -11.643 7.207 1.00 0.00 C ATOM 2345 CZ2 TRP A 141 7.096 -10.759 5.119 1.00 0.00 C ATOM 2346 CZ3 TRP A 141 9.261 -11.423 5.937 1.00 0.00 C ATOM 2347 CH2 TRP A 141 8.424 -10.982 4.905 1.00 0.00 C ATOM 0 H TRP A 141 5.369 -10.127 10.488 1.00 0.00 H new ATOM 0 HA TRP A 141 7.575 -11.162 11.916 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.864 -12.610 9.912 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.193 -12.545 10.438 1.00 0.00 H new ATOM 0 HD1 TRP A 141 4.446 -11.166 8.839 1.00 0.00 H new ATOM 0 HE1 TRP A 141 4.525 -10.517 6.350 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.426 -11.980 7.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 6.451 -10.420 4.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 10.308 -11.594 5.734 1.00 0.00 H new ATOM 0 HH2 TRP A 141 8.838 -10.815 3.921 1.00 0.00 H new ATOM 2358 N ILE A 142 8.416 -8.832 9.799 1.00 0.00 N ATOM 2359 CA ILE A 142 9.550 -7.982 9.383 1.00 0.00 C ATOM 2360 C ILE A 142 10.254 -7.404 10.643 1.00 0.00 C ATOM 2361 O ILE A 142 11.477 -7.256 10.661 1.00 0.00 O ATOM 2362 CB ILE A 142 9.150 -6.815 8.370 1.00 0.00 C ATOM 2363 CG1 ILE A 142 8.495 -7.354 7.042 1.00 0.00 C ATOM 2364 CG2 ILE A 142 10.378 -5.946 8.010 1.00 0.00 C ATOM 2365 CD1 ILE A 142 7.011 -7.620 7.110 1.00 0.00 C ATOM 0 H ILE A 142 7.499 -8.448 9.571 1.00 0.00 H new ATOM 0 HA ILE A 142 10.236 -8.622 8.828 1.00 0.00 H new ATOM 0 HB ILE A 142 8.407 -6.211 8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 142 8.681 -6.632 6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 142 8.999 -8.278 6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 142 10.077 -5.159 7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 142 10.784 -5.497 8.916 1.00 0.00 H new ATOM 0 HG23 ILE A 142 11.140 -6.569 7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 142 6.663 -7.987 6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 142 6.810 -8.368 7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 142 6.487 -6.697 7.358 1.00 0.00 H new ATOM 2377 N VAL A 143 9.482 -7.144 11.727 1.00 0.00 N ATOM 2378 CA VAL A 143 10.056 -6.661 13.014 1.00 0.00 C ATOM 2379 C VAL A 143 10.771 -7.809 13.771 1.00 0.00 C ATOM 2380 O VAL A 143 11.450 -7.572 14.777 1.00 0.00 O ATOM 2381 CB VAL A 143 8.988 -5.929 13.949 1.00 0.00 C ATOM 2382 CG1 VAL A 143 7.995 -5.082 13.110 1.00 0.00 C ATOM 2383 CG2 VAL A 143 8.234 -6.886 14.915 1.00 0.00 C ATOM 0 H VAL A 143 8.469 -7.258 11.739 1.00 0.00 H new ATOM 0 HA VAL A 143 10.795 -5.904 12.752 1.00 0.00 H new ATOM 0 HB VAL A 143 9.565 -5.261 14.588 1.00 0.00 H new ATOM 0 HG11 VAL A 143 7.280 -4.596 13.774 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.545 -4.324 12.551 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.462 -5.730 12.414 1.00 0.00 H new ATOM 0 HG21 VAL A 143 7.527 -6.314 15.516 1.00 0.00 H new ATOM 0 HG22 VAL A 143 7.695 -7.636 14.337 1.00 0.00 H new ATOM 0 HG23 VAL A 143 8.951 -7.380 15.571 1.00 0.00 H new ATOM 2393 N GLY A 144 10.604 -9.052 13.270 1.00 0.00 N ATOM 2394 CA GLY A 144 11.298 -10.230 13.802 1.00 0.00 C ATOM 2395 C GLY A 144 12.413 -10.734 12.884 1.00 0.00 C ATOM 2396 O GLY A 144 12.847 -11.887 13.017 1.00 0.00 O ATOM 0 H GLY A 144 9.984 -9.260 12.487 1.00 0.00 H new ATOM 0 HA2 GLY A 144 11.720 -9.986 14.777 1.00 0.00 H new ATOM 0 HA3 GLY A 144 10.575 -11.030 13.959 1.00 0.00 H new ATOM 2400 N GLN A 145 12.862 -9.886 11.932 1.00 0.00 N ATOM 2401 CA GLN A 145 14.022 -10.202 11.071 1.00 0.00 C ATOM 2402 C GLN A 145 15.320 -10.141 11.896 1.00 0.00 C ATOM 2403 O GLN A 145 15.485 -9.244 12.732 1.00 0.00 O ATOM 2404 CB GLN A 145 14.110 -9.226 9.872 1.00 0.00 C ATOM 2405 CG GLN A 145 13.016 -9.405 8.800 1.00 0.00 C ATOM 2406 CD GLN A 145 13.134 -10.712 8.018 1.00 0.00 C ATOM 2407 OE1 GLN A 145 12.539 -11.729 8.378 1.00 0.00 O ATOM 2408 NE2 GLN A 145 13.925 -10.700 6.953 1.00 0.00 N ATOM 0 H GLN A 145 12.438 -8.978 11.741 1.00 0.00 H new ATOM 0 HA GLN A 145 13.890 -11.210 10.679 1.00 0.00 H new ATOM 0 HB2 GLN A 145 14.062 -8.205 10.251 1.00 0.00 H new ATOM 0 HB3 GLN A 145 15.084 -9.345 9.398 1.00 0.00 H new ATOM 0 HG2 GLN A 145 12.038 -9.366 9.280 1.00 0.00 H new ATOM 0 HG3 GLN A 145 13.062 -8.569 8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 145 14.403 -9.841 6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 145 14.055 -11.550 6.405 1.00 0.00 H new ATOM 2417 N LYS A 146 16.230 -11.094 11.629 1.00 0.00 N ATOM 2418 CA LYS A 146 17.500 -11.252 12.373 1.00 0.00 C ATOM 2419 C LYS A 146 18.430 -10.005 12.222 1.00 0.00 C ATOM 2420 O LYS A 146 18.949 -9.747 11.110 1.00 0.00 O ATOM 2421 CB LYS A 146 18.213 -12.575 11.939 1.00 0.00 C ATOM 2422 CG LYS A 146 18.331 -12.782 10.409 1.00 0.00 C ATOM 2423 CD LYS A 146 18.983 -14.131 10.034 1.00 0.00 C ATOM 2424 CE LYS A 146 18.971 -14.389 8.517 1.00 0.00 C ATOM 2425 NZ LYS A 146 19.516 -15.728 8.170 1.00 0.00 N ATOM 2426 OXT LYS A 146 18.628 -9.278 13.225 1.00 0.00 O ATOM 0 H LYS A 146 16.108 -11.783 10.887 1.00 0.00 H new ATOM 0 HA LYS A 146 17.266 -11.323 13.435 1.00 0.00 H new ATOM 0 HB2 LYS A 146 19.214 -12.589 12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 146 17.670 -13.419 12.364 1.00 0.00 H new ATOM 0 HG2 LYS A 146 17.338 -12.727 9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 146 18.918 -11.969 9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 146 20.012 -14.146 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 146 18.456 -14.939 10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 146 17.950 -14.307 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 146 19.557 -13.619 8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 19.488 -15.857 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 20.499 -15.799 8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 18.942 -16.465 8.627 1.00 0.00 H new