USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 656 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 61 ASN : amide:sc=-0.00733 X(o=0.87,f=0.87) USER MOD Set 1.2: A 63 SER OG : rot 38:sc= 0.872 USER MOD Set 2.1: A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.4) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -155:sc= 0.0126 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 153:sc= -4.42! (180deg=-4.91!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 37 GLN : amide:sc= -2.39 K(o=-2.4,f=-8.6!) USER MOD Single : A 42 LYS NZ :NH3+ 144:sc= 0.0742 (180deg=-1.9!) USER MOD Single : A 46 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.079) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.843 K(o=-0.84,f=-1.9) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.24! C(o=-3.2!,f=-4.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.84) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.17) USER MOD Single : A 84 GLN : amide:sc= -3.23! C(o=-3.2!,f=-5!) USER MOD Single : A 85 HIS : no HD1:sc= -5.34! C(o=-5.3!,f=-5.9!) USER MOD Single : A 91 TYR OH : rot 64:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.121 5.513 -12.777 1.00 0.00 N ATOM 181 CA ILE A 16 4.339 5.665 -11.556 1.00 0.00 C ATOM 182 C ILE A 16 4.855 6.826 -10.714 1.00 0.00 C ATOM 183 O ILE A 16 6.054 6.942 -10.465 1.00 0.00 O ATOM 184 CB ILE A 16 4.364 4.379 -10.708 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.754 3.214 -11.490 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.620 4.593 -9.399 1.00 0.00 C ATOM 187 CD1 ILE A 16 4.015 1.863 -10.863 1.00 0.00 C ATOM 0 HA ILE A 16 3.313 5.869 -11.862 1.00 0.00 H new ATOM 0 HB ILE A 16 5.401 4.134 -10.478 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.678 3.366 -11.572 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.154 3.218 -12.504 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.647 3.675 -8.811 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.095 5.397 -8.838 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.584 4.860 -9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.554 1.085 -11.471 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.090 1.690 -10.806 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.590 1.839 -9.859 1.00 0.00 H new ATOM 199 N ASN A 17 3.939 7.685 -10.276 1.00 0.00 N ATOM 200 CA ASN A 17 4.301 8.838 -9.459 1.00 0.00 C ATOM 201 C ASN A 17 4.023 8.568 -7.984 1.00 0.00 C ATOM 202 O ASN A 17 2.868 8.522 -7.558 1.00 0.00 O ATOM 203 CB ASN A 17 3.528 10.076 -9.918 1.00 0.00 C ATOM 204 CG ASN A 17 4.254 11.366 -9.586 1.00 0.00 C ATOM 205 OD1 ASN A 17 5.213 11.370 -8.814 1.00 0.00 O ATOM 206 ND2 ASN A 17 3.796 12.468 -10.168 1.00 0.00 N ATOM 0 H ASN A 17 2.942 7.604 -10.473 1.00 0.00 H new ATOM 0 HA ASN A 17 5.369 9.019 -9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.364 10.021 -10.994 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.545 10.083 -9.446 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.242 13.366 -9.982 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.998 12.416 -10.801 1.00 0.00 H new ATOM 213 N ILE A 18 5.088 8.392 -7.209 1.00 0.00 N ATOM 214 CA ILE A 18 4.958 8.129 -5.781 1.00 0.00 C ATOM 215 C ILE A 18 4.900 9.429 -4.986 1.00 0.00 C ATOM 216 O ILE A 18 5.585 10.400 -5.310 1.00 0.00 O ATOM 217 CB ILE A 18 6.126 7.272 -5.258 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.393 6.101 -6.206 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.826 6.767 -3.855 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.287 5.069 -6.217 1.00 0.00 C ATOM 0 H ILE A 18 6.050 8.427 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 18 4.026 7.580 -5.644 1.00 0.00 H new ATOM 0 HB ILE A 18 7.021 7.892 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.530 6.486 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.327 5.618 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.661 6.163 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.681 7.615 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.921 6.160 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.543 4.268 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.165 4.656 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.355 5.538 -6.533 1.00 0.00 H new ATOM 232 N THR A 19 4.078 9.441 -3.941 1.00 0.00 N ATOM 233 CA THR A 19 3.930 10.621 -3.098 1.00 0.00 C ATOM 234 C THR A 19 3.760 10.233 -1.634 1.00 0.00 C ATOM 235 O THR A 19 3.303 9.134 -1.323 1.00 0.00 O ATOM 236 CB THR A 19 2.725 11.476 -3.534 1.00 0.00 C ATOM 237 OG1 THR A 19 1.540 10.672 -3.564 1.00 0.00 O ATOM 238 CG2 THR A 19 2.964 12.087 -4.907 1.00 0.00 C ATOM 0 H THR A 19 3.504 8.646 -3.658 1.00 0.00 H new ATOM 0 HA THR A 19 4.842 11.207 -3.212 1.00 0.00 H new ATOM 0 HB THR A 19 2.599 12.282 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.778 11.223 -3.840 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.100 12.686 -5.194 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.850 12.721 -4.874 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.113 11.292 -5.638 1.00 0.00 H new ATOM 246 N ALA A 20 4.131 11.142 -0.739 1.00 0.00 N ATOM 247 CA ALA A 20 4.017 10.895 0.693 1.00 0.00 C ATOM 248 C ALA A 20 2.653 10.309 1.042 1.00 0.00 C ATOM 249 O ALA A 20 2.543 9.443 1.909 1.00 0.00 O ATOM 250 CB ALA A 20 4.256 12.181 1.471 1.00 0.00 C ATOM 0 H ALA A 20 4.513 12.056 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 20 4.778 10.167 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.168 11.982 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.256 12.557 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.516 12.926 1.179 1.00 0.00 H new ATOM 256 N ALA A 21 1.617 10.788 0.362 1.00 0.00 N ATOM 257 CA ALA A 21 0.261 10.310 0.599 1.00 0.00 C ATOM 258 C ALA A 21 0.222 8.788 0.681 1.00 0.00 C ATOM 259 O ALA A 21 -0.551 8.218 1.453 1.00 0.00 O ATOM 260 CB ALA A 21 -0.673 10.805 -0.495 1.00 0.00 C ATOM 0 H ALA A 21 1.691 11.507 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.075 10.709 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.682 10.440 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.677 11.895 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.330 10.435 -1.461 1.00 0.00 H new ATOM 266 N ILE A 22 1.058 8.135 -0.119 1.00 0.00 N ATOM 267 CA ILE A 22 1.118 6.679 -0.136 1.00 0.00 C ATOM 268 C ILE A 22 1.036 6.109 1.276 1.00 0.00 C ATOM 269 O ILE A 22 0.434 5.058 1.498 1.00 0.00 O ATOM 270 CB ILE A 22 2.411 6.176 -0.805 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.404 4.649 -0.896 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.630 6.661 -0.034 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.246 4.107 -2.029 1.00 0.00 C ATOM 0 H ILE A 22 1.703 8.591 -0.764 1.00 0.00 H new ATOM 0 HA ILE A 22 0.261 6.335 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 22 2.460 6.581 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.766 4.235 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.377 4.305 -1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.536 6.297 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.640 7.751 -0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.589 6.283 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.194 3.018 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.871 4.491 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.281 4.420 -1.895 1.00 0.00 H new ATOM 285 N TYR A 23 1.642 6.810 2.227 1.00 0.00 N ATOM 286 CA TYR A 23 1.638 6.374 3.619 1.00 0.00 C ATOM 287 C TYR A 23 0.223 6.385 4.189 1.00 0.00 C ATOM 288 O TYR A 23 -0.214 5.418 4.813 1.00 0.00 O ATOM 289 CB TYR A 23 2.546 7.273 4.460 1.00 0.00 C ATOM 290 CG TYR A 23 3.999 7.223 4.046 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.731 6.045 4.146 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.641 8.353 3.554 1.00 0.00 C ATOM 293 CE1 TYR A 23 6.059 5.995 3.769 1.00 0.00 C ATOM 294 CE2 TYR A 23 5.969 8.312 3.174 1.00 0.00 C ATOM 295 CZ TYR A 23 6.673 7.131 3.284 1.00 0.00 C ATOM 296 OH TYR A 23 7.996 7.085 2.907 1.00 0.00 O ATOM 0 H TYR A 23 2.143 7.683 2.060 1.00 0.00 H new ATOM 0 HA TYR A 23 2.017 5.352 3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.192 8.301 4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.465 6.980 5.507 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.253 5.154 4.525 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.093 9.279 3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.613 5.072 3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.453 9.199 2.793 1.00 0.00 H new ATOM 0 HH TYR A 23 8.386 7.982 2.972 1.00 0.00 H new ATOM 306 N ASP A 24 -0.487 7.486 3.970 1.00 0.00 N ATOM 307 CA ASP A 24 -1.854 7.624 4.460 1.00 0.00 C ATOM 308 C ASP A 24 -2.759 6.556 3.853 1.00 0.00 C ATOM 309 O ASP A 24 -3.584 5.963 4.547 1.00 0.00 O ATOM 310 CB ASP A 24 -2.397 9.016 4.133 1.00 0.00 C ATOM 311 CG ASP A 24 -2.101 10.024 5.226 1.00 0.00 C ATOM 312 OD1 ASP A 24 -2.880 10.089 6.200 1.00 0.00 O ATOM 313 OD2 ASP A 24 -1.090 10.747 5.108 1.00 0.00 O ATOM 0 H ASP A 24 -0.139 8.296 3.457 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.841 7.492 5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.961 9.362 3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.475 8.956 3.980 1.00 0.00 H new ATOM 318 N GLU A 25 -2.598 6.318 2.555 1.00 0.00 N ATOM 319 CA GLU A 25 -3.402 5.323 1.856 1.00 0.00 C ATOM 320 C GLU A 25 -3.253 3.950 2.505 1.00 0.00 C ATOM 321 O GLU A 25 -4.212 3.181 2.583 1.00 0.00 O ATOM 322 CB GLU A 25 -2.996 5.250 0.383 1.00 0.00 C ATOM 323 CG GLU A 25 -3.024 6.595 -0.323 1.00 0.00 C ATOM 324 CD GLU A 25 -3.319 6.470 -1.805 1.00 0.00 C ATOM 325 OE1 GLU A 25 -4.427 6.011 -2.152 1.00 0.00 O ATOM 326 OE2 GLU A 25 -2.443 6.831 -2.618 1.00 0.00 O ATOM 0 H GLU A 25 -1.918 6.800 1.967 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.447 5.626 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.992 4.833 0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.664 4.563 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.779 7.229 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.063 7.092 -0.188 1.00 0.00 H new ATOM 333 N ILE A 26 -2.045 3.648 2.967 1.00 0.00 N ATOM 334 CA ILE A 26 -1.770 2.369 3.609 1.00 0.00 C ATOM 335 C ILE A 26 -2.547 2.230 4.914 1.00 0.00 C ATOM 336 O ILE A 26 -3.071 1.161 5.224 1.00 0.00 O ATOM 337 CB ILE A 26 -0.267 2.195 3.898 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.522 2.128 2.589 1.00 0.00 C ATOM 339 CG2 ILE A 26 -0.029 0.945 4.731 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.946 2.623 2.716 1.00 0.00 C ATOM 0 H ILE A 26 -1.240 4.272 2.909 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.090 1.593 2.914 1.00 0.00 H new ATOM 0 HB ILE A 26 0.081 3.058 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.534 1.098 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.006 2.720 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.038 0.836 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.565 1.030 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.389 0.072 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.445 2.547 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.942 3.663 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.478 2.016 3.449 1.00 0.00 H new ATOM 352 N GLN A 27 -2.617 3.319 5.673 1.00 0.00 N ATOM 353 CA GLN A 27 -3.331 3.319 6.944 1.00 0.00 C ATOM 354 C GLN A 27 -4.816 3.041 6.734 1.00 0.00 C ATOM 355 O GLN A 27 -5.395 2.180 7.396 1.00 0.00 O ATOM 356 CB GLN A 27 -3.146 4.659 7.657 1.00 0.00 C ATOM 357 CG GLN A 27 -1.694 4.990 7.964 1.00 0.00 C ATOM 358 CD GLN A 27 -1.552 6.069 9.019 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.117 5.804 10.140 1.00 0.00 O ATOM 360 NE2 GLN A 27 -1.919 7.296 8.665 1.00 0.00 N ATOM 0 H GLN A 27 -2.188 4.212 5.430 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.916 2.525 7.565 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.568 5.451 7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.712 4.647 8.589 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.183 4.088 8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.198 5.314 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.274 7.471 7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.845 8.063 9.333 1.00 0.00 H new ATOM 369 N GLN A 28 -5.425 3.777 5.810 1.00 0.00 N ATOM 370 CA GLN A 28 -6.843 3.610 5.515 1.00 0.00 C ATOM 371 C GLN A 28 -7.104 2.270 4.835 1.00 0.00 C ATOM 372 O GLN A 28 -7.982 1.514 5.250 1.00 0.00 O ATOM 373 CB GLN A 28 -7.338 4.751 4.624 1.00 0.00 C ATOM 374 CG GLN A 28 -7.383 6.097 5.329 1.00 0.00 C ATOM 375 CD GLN A 28 -8.038 7.175 4.488 1.00 0.00 C ATOM 376 OE1 GLN A 28 -9.219 7.478 4.657 1.00 0.00 O ATOM 377 NE2 GLN A 28 -7.272 7.762 3.576 1.00 0.00 N ATOM 0 H GLN A 28 -4.959 4.494 5.253 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.389 3.631 6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.688 4.828 3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.336 4.508 4.258 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.927 5.993 6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.368 6.405 5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.298 7.479 3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.658 8.496 2.981 1.00 0.00 H new ATOM 386 N GLU A 29 -6.335 1.983 3.790 1.00 0.00 N ATOM 387 CA GLU A 29 -6.484 0.733 3.052 1.00 0.00 C ATOM 388 C GLU A 29 -6.631 -0.448 4.008 1.00 0.00 C ATOM 389 O GLU A 29 -7.329 -1.417 3.710 1.00 0.00 O ATOM 390 CB GLU A 29 -5.283 0.512 2.131 1.00 0.00 C ATOM 391 CG GLU A 29 -5.486 -0.608 1.125 1.00 0.00 C ATOM 392 CD GLU A 29 -6.635 -0.336 0.173 1.00 0.00 C ATOM 393 OE1 GLU A 29 -7.801 -0.492 0.593 1.00 0.00 O ATOM 394 OE2 GLU A 29 -6.369 0.031 -0.990 1.00 0.00 O ATOM 0 H GLU A 29 -5.603 2.598 3.435 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.388 0.803 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.072 1.437 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.406 0.289 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.569 -0.747 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.673 -1.540 1.658 1.00 0.00 H new ATOM 401 N MET A 30 -5.967 -0.359 5.155 1.00 0.00 N ATOM 402 CA MET A 30 -6.023 -1.420 6.155 1.00 0.00 C ATOM 403 C MET A 30 -7.421 -1.526 6.756 1.00 0.00 C ATOM 404 O MET A 30 -8.131 -2.507 6.532 1.00 0.00 O ATOM 405 CB MET A 30 -4.998 -1.163 7.261 1.00 0.00 C ATOM 406 CG MET A 30 -3.634 -1.772 6.979 1.00 0.00 C ATOM 407 SD MET A 30 -2.446 -1.454 8.297 1.00 0.00 S ATOM 408 CE MET A 30 -1.522 -0.088 7.597 1.00 0.00 C ATOM 0 H MET A 30 -5.384 0.436 5.416 1.00 0.00 H new ATOM 0 HA MET A 30 -5.785 -2.363 5.662 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.885 -0.088 7.398 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.380 -1.566 8.199 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.742 -2.848 6.844 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.248 -1.370 6.042 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.108 0.521 8.401 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.711 -0.475 6.981 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.184 0.523 6.983 1.00 0.00 H new ATOM 418 N LYS A 31 -7.811 -0.511 7.520 1.00 0.00 N ATOM 419 CA LYS A 31 -9.124 -0.490 8.153 1.00 0.00 C ATOM 420 C LYS A 31 -10.207 -0.935 7.175 1.00 0.00 C ATOM 421 O LYS A 31 -11.250 -1.447 7.581 1.00 0.00 O ATOM 422 CB LYS A 31 -9.439 0.915 8.674 1.00 0.00 C ATOM 423 CG LYS A 31 -10.056 1.827 7.628 1.00 0.00 C ATOM 424 CD LYS A 31 -11.572 1.728 7.627 1.00 0.00 C ATOM 425 CE LYS A 31 -12.181 2.507 6.470 1.00 0.00 C ATOM 426 NZ LYS A 31 -13.597 2.120 6.225 1.00 0.00 N ATOM 0 H LYS A 31 -7.236 0.308 7.716 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.107 -1.187 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.120 0.835 9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.521 1.370 9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.758 2.858 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.673 1.563 6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.869 0.682 7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.963 2.110 8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.128 3.575 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.596 2.333 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.975 2.673 5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.645 1.107 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.161 2.310 7.078 1.00 0.00 H new ATOM 440 N ARG A 32 -9.951 -0.739 5.886 1.00 0.00 N ATOM 441 CA ARG A 32 -10.904 -1.121 4.851 1.00 0.00 C ATOM 442 C ARG A 32 -10.935 -2.636 4.673 1.00 0.00 C ATOM 443 O ARG A 32 -11.999 -3.230 4.504 1.00 0.00 O ATOM 444 CB ARG A 32 -10.545 -0.448 3.524 1.00 0.00 C ATOM 445 CG ARG A 32 -11.750 -0.159 2.643 1.00 0.00 C ATOM 446 CD ARG A 32 -11.529 1.078 1.787 1.00 0.00 C ATOM 447 NE ARG A 32 -12.492 1.165 0.693 1.00 0.00 N ATOM 448 CZ ARG A 32 -13.706 1.690 0.821 1.00 0.00 C ATOM 449 NH1 ARG A 32 -14.103 2.172 1.991 1.00 0.00 N ATOM 450 NH2 ARG A 32 -14.525 1.733 -0.222 1.00 0.00 N ATOM 0 H ARG A 32 -9.092 -0.318 5.533 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.894 -0.789 5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.023 0.487 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.851 -1.087 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.947 -1.017 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.633 -0.019 3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.607 1.969 2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.518 1.061 1.380 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.218 0.803 -0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.476 2.140 2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.035 2.575 2.087 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.223 1.363 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.457 2.136 -0.123 1.00 0.00 H new ATOM 464 N ALA A 33 -9.760 -3.256 4.712 1.00 0.00 N ATOM 465 CA ALA A 33 -9.652 -4.701 4.557 1.00 0.00 C ATOM 466 C ALA A 33 -9.468 -5.386 5.906 1.00 0.00 C ATOM 467 O ALA A 33 -9.258 -6.597 5.976 1.00 0.00 O ATOM 468 CB ALA A 33 -8.500 -5.048 3.625 1.00 0.00 C ATOM 0 H ALA A 33 -8.869 -2.779 4.850 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.581 -5.064 4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.431 -6.131 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.674 -4.598 2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.568 -4.664 4.040 1.00 0.00 H new ATOM 474 N LYS A 34 -9.546 -4.603 6.977 1.00 0.00 N ATOM 475 CA LYS A 34 -9.389 -5.134 8.326 1.00 0.00 C ATOM 476 C LYS A 34 -8.101 -5.943 8.446 1.00 0.00 C ATOM 477 O LYS A 34 -8.080 -7.006 9.066 1.00 0.00 O ATOM 478 CB LYS A 34 -10.589 -6.008 8.696 1.00 0.00 C ATOM 479 CG LYS A 34 -11.921 -5.432 8.249 1.00 0.00 C ATOM 480 CD LYS A 34 -12.389 -6.055 6.945 1.00 0.00 C ATOM 481 CE LYS A 34 -13.203 -5.073 6.117 1.00 0.00 C ATOM 482 NZ LYS A 34 -14.659 -5.167 6.419 1.00 0.00 N ATOM 0 H LYS A 34 -9.717 -3.598 6.937 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.334 -4.292 9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.461 -6.994 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.607 -6.147 9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.670 -5.601 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.829 -4.353 8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.525 -6.389 6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.991 -6.939 7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.856 -4.058 6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.038 -5.268 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.180 -4.482 5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.996 -6.128 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.819 -4.956 7.425 1.00 0.00 H new ATOM 496 N VAL A 35 -7.029 -5.432 7.849 1.00 0.00 N ATOM 497 CA VAL A 35 -5.737 -6.106 7.891 1.00 0.00 C ATOM 498 C VAL A 35 -4.769 -5.382 8.820 1.00 0.00 C ATOM 499 O VAL A 35 -5.042 -4.270 9.273 1.00 0.00 O ATOM 500 CB VAL A 35 -5.109 -6.204 6.488 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.043 -6.932 5.534 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.768 -4.818 5.960 1.00 0.00 C ATOM 0 H VAL A 35 -7.030 -4.554 7.331 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.917 -7.112 8.271 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.185 -6.778 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.582 -6.991 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.232 -7.938 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.985 -6.389 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.325 -4.905 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.676 -4.218 5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.058 -4.337 6.633 1.00 0.00 H new ATOM 512 N SER A 36 -3.636 -6.018 9.098 1.00 0.00 N ATOM 513 CA SER A 36 -2.627 -5.436 9.976 1.00 0.00 C ATOM 514 C SER A 36 -1.412 -4.976 9.177 1.00 0.00 C ATOM 515 O SER A 36 -1.120 -5.513 8.108 1.00 0.00 O ATOM 516 CB SER A 36 -2.199 -6.450 11.039 1.00 0.00 C ATOM 517 OG SER A 36 -0.998 -6.047 11.673 1.00 0.00 O ATOM 0 H SER A 36 -3.393 -6.937 8.728 1.00 0.00 H new ATOM 0 HA SER A 36 -3.066 -4.568 10.468 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.988 -6.557 11.783 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.060 -7.428 10.578 1.00 0.00 H new ATOM 0 HG SER A 36 -0.746 -6.710 12.349 1.00 0.00 H new ATOM 523 N GLN A 37 -0.707 -3.980 9.704 1.00 0.00 N ATOM 524 CA GLN A 37 0.476 -3.447 9.040 1.00 0.00 C ATOM 525 C GLN A 37 1.370 -4.574 8.533 1.00 0.00 C ATOM 526 O GLN A 37 2.007 -4.452 7.487 1.00 0.00 O ATOM 527 CB GLN A 37 1.262 -2.548 9.996 1.00 0.00 C ATOM 528 CG GLN A 37 0.392 -1.855 11.032 1.00 0.00 C ATOM 529 CD GLN A 37 0.946 -0.507 11.452 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.927 -0.024 10.887 1.00 0.00 O ATOM 531 NE2 GLN A 37 0.317 0.107 12.447 1.00 0.00 N ATOM 0 H GLN A 37 -0.935 -3.526 10.589 1.00 0.00 H new ATOM 0 HA GLN A 37 0.147 -2.856 8.185 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.015 -3.147 10.508 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.794 -1.793 9.417 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.611 -1.721 10.627 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.299 -2.495 11.910 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.493 -0.331 12.886 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.643 1.017 12.772 1.00 0.00 H new ATOM 540 N ALA A 38 1.412 -5.671 9.282 1.00 0.00 N ATOM 541 CA ALA A 38 2.227 -6.821 8.907 1.00 0.00 C ATOM 542 C ALA A 38 1.689 -7.486 7.645 1.00 0.00 C ATOM 543 O ALA A 38 2.452 -7.841 6.745 1.00 0.00 O ATOM 544 CB ALA A 38 2.284 -7.822 10.051 1.00 0.00 C ATOM 0 H ALA A 38 0.892 -5.788 10.152 1.00 0.00 H new ATOM 0 HA ALA A 38 3.237 -6.468 8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.895 -8.675 9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.722 -7.347 10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.276 -8.162 10.287 1.00 0.00 H new ATOM 550 N LEU A 39 0.373 -7.653 7.585 1.00 0.00 N ATOM 551 CA LEU A 39 -0.267 -8.278 6.432 1.00 0.00 C ATOM 552 C LEU A 39 -0.135 -7.398 5.193 1.00 0.00 C ATOM 553 O LEU A 39 0.511 -7.777 4.216 1.00 0.00 O ATOM 554 CB LEU A 39 -1.744 -8.545 6.726 1.00 0.00 C ATOM 555 CG LEU A 39 -2.536 -9.235 5.615 1.00 0.00 C ATOM 556 CD1 LEU A 39 -1.814 -10.489 5.146 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.941 -9.574 6.093 1.00 0.00 C ATOM 0 H LEU A 39 -0.272 -7.365 8.321 1.00 0.00 H new ATOM 0 HA LEU A 39 0.236 -9.226 6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.810 -9.157 7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.226 -7.594 6.952 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.616 -8.549 4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.392 -10.967 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.829 -10.220 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.703 -11.179 5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.490 -10.064 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.882 -10.242 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.458 -8.659 6.380 1.00 0.00 H new ATOM 569 N PHE A 40 -0.749 -6.221 5.241 1.00 0.00 N ATOM 570 CA PHE A 40 -0.699 -5.286 4.123 1.00 0.00 C ATOM 571 C PHE A 40 0.713 -5.198 3.550 1.00 0.00 C ATOM 572 O PHE A 40 0.898 -5.107 2.337 1.00 0.00 O ATOM 573 CB PHE A 40 -1.167 -3.899 4.568 1.00 0.00 C ATOM 574 CG PHE A 40 -0.989 -2.840 3.518 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.277 -2.395 3.173 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.086 -2.290 2.876 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.444 -1.420 2.208 1.00 0.00 C ATOM 578 CE2 PHE A 40 -1.926 -1.315 1.910 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.658 -0.880 1.575 1.00 0.00 C ATOM 0 H PHE A 40 -1.287 -5.892 6.042 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.367 -5.655 3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.220 -3.951 4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.616 -3.608 5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.143 -2.815 3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.079 -2.627 3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.436 -1.081 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.790 -0.894 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.529 -0.119 0.819 1.00 0.00 H new ATOM 589 N ALA A 41 1.706 -5.227 4.433 1.00 0.00 N ATOM 590 CA ALA A 41 3.101 -5.152 4.016 1.00 0.00 C ATOM 591 C ALA A 41 3.598 -6.505 3.519 1.00 0.00 C ATOM 592 O ALA A 41 4.534 -6.580 2.722 1.00 0.00 O ATOM 593 CB ALA A 41 3.969 -4.657 5.164 1.00 0.00 C ATOM 0 H ALA A 41 1.570 -5.302 5.441 1.00 0.00 H new ATOM 0 HA ALA A 41 3.171 -4.443 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.008 -4.606 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.636 -3.666 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.886 -5.345 6.006 1.00 0.00 H new ATOM 599 N LYS A 42 2.968 -7.573 3.995 1.00 0.00 N ATOM 600 CA LYS A 42 3.346 -8.925 3.599 1.00 0.00 C ATOM 601 C LYS A 42 2.678 -9.313 2.284 1.00 0.00 C ATOM 602 O LYS A 42 3.162 -10.187 1.565 1.00 0.00 O ATOM 603 CB LYS A 42 2.962 -9.925 4.693 1.00 0.00 C ATOM 604 CG LYS A 42 3.374 -11.353 4.383 1.00 0.00 C ATOM 605 CD LYS A 42 2.297 -12.087 3.601 1.00 0.00 C ATOM 606 CE LYS A 42 2.886 -13.209 2.760 1.00 0.00 C ATOM 607 NZ LYS A 42 2.089 -13.453 1.525 1.00 0.00 N ATOM 0 H LYS A 42 2.193 -7.529 4.656 1.00 0.00 H new ATOM 0 HA LYS A 42 4.427 -8.947 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.423 -9.618 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.883 -9.891 4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.302 -11.349 3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.576 -11.884 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.560 -12.497 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.772 -11.384 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.911 -12.959 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.928 -14.123 3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.728 -13.705 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.421 -14.232 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.561 -12.592 1.276 1.00 0.00 H new ATOM 621 N VAL A 43 1.563 -8.658 1.975 1.00 0.00 N ATOM 622 CA VAL A 43 0.831 -8.933 0.745 1.00 0.00 C ATOM 623 C VAL A 43 1.067 -7.840 -0.291 1.00 0.00 C ATOM 624 O VAL A 43 0.797 -8.026 -1.477 1.00 0.00 O ATOM 625 CB VAL A 43 -0.682 -9.056 1.009 1.00 0.00 C ATOM 626 CG1 VAL A 43 -0.989 -10.340 1.764 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.190 -7.844 1.774 1.00 0.00 C ATOM 0 H VAL A 43 1.147 -7.933 2.560 1.00 0.00 H new ATOM 0 HA VAL A 43 1.204 -9.882 0.359 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.199 -9.094 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.062 -10.410 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.662 -11.196 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.463 -10.335 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.260 -7.948 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.669 -7.772 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.005 -6.942 1.191 1.00 0.00 H new ATOM 637 N ALA A 44 1.574 -6.699 0.165 1.00 0.00 N ATOM 638 CA ALA A 44 1.850 -5.577 -0.723 1.00 0.00 C ATOM 639 C ALA A 44 3.311 -5.567 -1.159 1.00 0.00 C ATOM 640 O ALA A 44 3.615 -5.652 -2.348 1.00 0.00 O ATOM 641 CB ALA A 44 1.492 -4.264 -0.042 1.00 0.00 C ATOM 0 H ALA A 44 1.802 -6.528 1.144 1.00 0.00 H new ATOM 0 HA ALA A 44 1.233 -5.692 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.703 -3.435 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.432 -4.263 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.084 -4.152 0.867 1.00 0.00 H new ATOM 647 N ALA A 45 4.213 -5.463 -0.187 1.00 0.00 N ATOM 648 CA ALA A 45 5.642 -5.444 -0.471 1.00 0.00 C ATOM 649 C ALA A 45 6.307 -6.744 -0.031 1.00 0.00 C ATOM 650 O ALA A 45 7.496 -6.955 -0.266 1.00 0.00 O ATOM 651 CB ALA A 45 6.300 -4.255 0.214 1.00 0.00 C ATOM 0 H ALA A 45 3.978 -5.391 0.803 1.00 0.00 H new ATOM 0 HA ALA A 45 5.772 -5.347 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.367 -4.253 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.852 -3.331 -0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.152 -4.328 1.291 1.00 0.00 H new ATOM 657 N ASN A 46 5.530 -7.613 0.608 1.00 0.00 N ATOM 658 CA ASN A 46 6.045 -8.893 1.082 1.00 0.00 C ATOM 659 C ASN A 46 7.143 -8.687 2.121 1.00 0.00 C ATOM 660 O ASN A 46 8.061 -9.499 2.240 1.00 0.00 O ATOM 661 CB ASN A 46 6.584 -9.715 -0.090 1.00 0.00 C ATOM 662 CG ASN A 46 6.717 -11.187 0.249 1.00 0.00 C ATOM 663 OD1 ASN A 46 5.746 -11.836 0.640 1.00 0.00 O ATOM 664 ND2 ASN A 46 7.923 -11.722 0.100 1.00 0.00 N ATOM 0 H ASN A 46 4.543 -7.455 0.809 1.00 0.00 H new ATOM 0 HA ASN A 46 5.224 -9.436 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.919 -9.601 -0.946 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.557 -9.324 -0.387 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.073 -12.708 0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.699 -11.147 -0.227 1.00 0.00 H new ATOM 671 N LYS A 47 7.042 -7.595 2.872 1.00 0.00 N ATOM 672 CA LYS A 47 8.025 -7.282 3.903 1.00 0.00 C ATOM 673 C LYS A 47 7.471 -7.583 5.292 1.00 0.00 C ATOM 674 O LYS A 47 6.345 -8.060 5.431 1.00 0.00 O ATOM 675 CB LYS A 47 8.435 -5.810 3.814 1.00 0.00 C ATOM 676 CG LYS A 47 9.574 -5.554 2.842 1.00 0.00 C ATOM 677 CD LYS A 47 10.927 -5.720 3.512 1.00 0.00 C ATOM 678 CE LYS A 47 11.977 -4.818 2.881 1.00 0.00 C ATOM 679 NZ LYS A 47 13.308 -4.977 3.529 1.00 0.00 N ATOM 0 H LYS A 47 6.289 -6.912 2.786 1.00 0.00 H new ATOM 0 HA LYS A 47 8.901 -7.908 3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.571 -5.218 3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.729 -5.463 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.497 -6.242 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.489 -4.545 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.839 -5.490 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.246 -6.759 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.061 -5.047 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.657 -3.779 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.995 -4.345 3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.234 -4.734 4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.626 -5.963 3.433 1.00 0.00 H new ATOM 693 N SER A 48 8.269 -7.300 6.316 1.00 0.00 N ATOM 694 CA SER A 48 7.859 -7.543 7.694 1.00 0.00 C ATOM 695 C SER A 48 7.209 -6.301 8.295 1.00 0.00 C ATOM 696 O SER A 48 7.546 -5.174 7.932 1.00 0.00 O ATOM 697 CB SER A 48 9.063 -7.962 8.540 1.00 0.00 C ATOM 698 OG SER A 48 9.408 -9.316 8.302 1.00 0.00 O ATOM 0 H SER A 48 9.203 -6.902 6.218 1.00 0.00 H new ATOM 0 HA SER A 48 7.126 -8.350 7.692 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.914 -7.321 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.835 -7.822 9.597 1.00 0.00 H new ATOM 0 HG SER A 48 10.181 -9.558 8.853 1.00 0.00 H new ATOM 704 N GLN A 49 6.275 -6.516 9.216 1.00 0.00 N ATOM 705 CA GLN A 49 5.577 -5.413 9.867 1.00 0.00 C ATOM 706 C GLN A 49 6.543 -4.284 10.211 1.00 0.00 C ATOM 707 O GLN A 49 6.296 -3.123 9.889 1.00 0.00 O ATOM 708 CB GLN A 49 4.875 -5.904 11.135 1.00 0.00 C ATOM 709 CG GLN A 49 3.720 -5.018 11.573 1.00 0.00 C ATOM 710 CD GLN A 49 2.965 -5.587 12.758 1.00 0.00 C ATOM 711 OE1 GLN A 49 3.326 -6.635 13.294 1.00 0.00 O ATOM 712 NE2 GLN A 49 1.910 -4.897 13.174 1.00 0.00 N ATOM 0 H GLN A 49 5.984 -7.443 9.528 1.00 0.00 H new ATOM 0 HA GLN A 49 4.830 -5.028 9.172 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.503 -6.915 10.966 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.603 -5.963 11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.102 -4.030 11.831 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.032 -4.886 10.738 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.646 -4.033 12.700 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.363 -5.231 13.968 1.00 0.00 H new ATOM 721 N GLY A 50 7.644 -4.634 10.869 1.00 0.00 N ATOM 722 CA GLY A 50 8.631 -3.638 11.246 1.00 0.00 C ATOM 723 C GLY A 50 8.982 -2.708 10.102 1.00 0.00 C ATOM 724 O GLY A 50 9.235 -1.522 10.314 1.00 0.00 O ATOM 0 H GLY A 50 7.870 -5.589 11.148 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.250 -3.052 12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.535 -4.139 11.593 1.00 0.00 H new ATOM 728 N TRP A 51 9.000 -3.246 8.888 1.00 0.00 N ATOM 729 CA TRP A 51 9.325 -2.455 7.707 1.00 0.00 C ATOM 730 C TRP A 51 8.159 -1.553 7.318 1.00 0.00 C ATOM 731 O TRP A 51 8.352 -0.504 6.702 1.00 0.00 O ATOM 732 CB TRP A 51 9.687 -3.373 6.538 1.00 0.00 C ATOM 733 CG TRP A 51 10.002 -2.630 5.275 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.242 -2.314 4.797 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.061 -2.108 4.330 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.128 -1.627 3.612 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.801 -1.489 3.304 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.666 -2.105 4.250 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.191 -0.874 2.214 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.062 -1.494 3.168 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.823 -0.886 2.161 1.00 0.00 C ATOM 0 H TRP A 51 8.793 -4.226 8.696 1.00 0.00 H new ATOM 0 HA TRP A 51 10.182 -1.826 7.946 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.547 -3.982 6.817 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.859 -4.057 6.352 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.175 -2.567 5.279 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.906 -1.277 3.053 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.070 -2.572 5.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.776 -0.404 1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 5.984 -1.485 3.097 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.321 -0.418 1.327 1.00 0.00 H new ATOM 752 N LEU A 52 6.950 -1.965 7.682 1.00 0.00 N ATOM 753 CA LEU A 52 5.752 -1.192 7.372 1.00 0.00 C ATOM 754 C LEU A 52 5.482 -0.149 8.451 1.00 0.00 C ATOM 755 O LEU A 52 5.418 1.048 8.169 1.00 0.00 O ATOM 756 CB LEU A 52 4.545 -2.121 7.231 1.00 0.00 C ATOM 757 CG LEU A 52 3.296 -1.506 6.598 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.780 -0.353 7.445 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.591 -1.038 5.180 1.00 0.00 C ATOM 0 H LEU A 52 6.773 -2.830 8.192 1.00 0.00 H new ATOM 0 HA LEU A 52 5.918 -0.675 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.843 -2.983 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.281 -2.494 8.221 1.00 0.00 H new ATOM 0 HG LEU A 52 2.521 -2.272 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.891 0.072 6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.528 -0.717 8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.550 0.414 7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.691 -0.603 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.382 -0.288 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.912 -1.887 4.576 1.00 0.00 H new ATOM 771 N CYS A 53 5.327 -0.610 9.687 1.00 0.00 N ATOM 772 CA CYS A 53 5.066 0.284 10.809 1.00 0.00 C ATOM 773 C CYS A 53 5.950 1.524 10.735 1.00 0.00 C ATOM 774 O CYS A 53 5.466 2.650 10.837 1.00 0.00 O ATOM 775 CB CYS A 53 5.299 -0.445 12.134 1.00 0.00 C ATOM 776 SG CYS A 53 4.271 0.152 13.496 1.00 0.00 S ATOM 0 H CYS A 53 5.378 -1.597 9.937 1.00 0.00 H new ATOM 0 HA CYS A 53 4.024 0.600 10.754 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.110 -1.509 11.989 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.348 -0.343 12.413 1.00 0.00 H new ATOM 0 HG CYS A 53 4.539 -0.527 14.572 1.00 0.00 H new ATOM 782 N GLU A 54 7.250 1.307 10.556 1.00 0.00 N ATOM 783 CA GLU A 54 8.202 2.408 10.471 1.00 0.00 C ATOM 784 C GLU A 54 7.765 3.426 9.421 1.00 0.00 C ATOM 785 O GLU A 54 7.640 4.617 9.708 1.00 0.00 O ATOM 786 CB GLU A 54 9.598 1.880 10.134 1.00 0.00 C ATOM 787 CG GLU A 54 10.160 0.935 11.183 1.00 0.00 C ATOM 788 CD GLU A 54 11.275 0.060 10.643 1.00 0.00 C ATOM 789 OE1 GLU A 54 11.171 -0.379 9.478 1.00 0.00 O ATOM 790 OE2 GLU A 54 12.249 -0.186 11.384 1.00 0.00 O ATOM 0 H GLU A 54 7.667 0.380 10.467 1.00 0.00 H new ATOM 0 HA GLU A 54 8.233 2.903 11.442 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.560 1.364 9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.278 2.724 10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.535 1.515 12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.358 0.302 11.563 1.00 0.00 H new ATOM 797 N LEU A 55 7.533 2.947 8.203 1.00 0.00 N ATOM 798 CA LEU A 55 7.110 3.814 7.108 1.00 0.00 C ATOM 799 C LEU A 55 6.043 4.799 7.575 1.00 0.00 C ATOM 800 O LEU A 55 6.110 5.992 7.274 1.00 0.00 O ATOM 801 CB LEU A 55 6.573 2.976 5.947 1.00 0.00 C ATOM 802 CG LEU A 55 7.598 2.554 4.894 1.00 0.00 C ATOM 803 CD1 LEU A 55 8.971 2.379 5.525 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.158 1.269 4.206 1.00 0.00 C ATOM 0 H LEU A 55 7.631 1.964 7.949 1.00 0.00 H new ATOM 0 HA LEU A 55 7.978 4.380 6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.112 2.077 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.784 3.542 5.451 1.00 0.00 H new ATOM 0 HG LEU A 55 7.663 3.341 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.687 2.079 4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.290 3.321 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.921 1.611 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.899 0.984 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.063 0.474 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.196 1.428 3.719 1.00 0.00 H new ATOM 816 N LEU A 56 5.062 4.294 8.314 1.00 0.00 N ATOM 817 CA LEU A 56 3.981 5.131 8.825 1.00 0.00 C ATOM 818 C LEU A 56 4.469 6.010 9.972 1.00 0.00 C ATOM 819 O LEU A 56 3.887 7.057 10.255 1.00 0.00 O ATOM 820 CB LEU A 56 2.815 4.260 9.296 1.00 0.00 C ATOM 821 CG LEU A 56 2.470 3.063 8.409 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.253 2.329 8.952 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.229 3.513 6.976 1.00 0.00 C ATOM 0 H LEU A 56 4.992 3.310 8.573 1.00 0.00 H new ATOM 0 HA LEU A 56 3.641 5.777 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.044 3.892 10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.929 4.889 9.383 1.00 0.00 H new ATOM 0 HG LEU A 56 3.316 2.375 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.023 1.480 8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.463 1.973 9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.400 3.007 8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.985 2.648 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.401 4.222 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.128 3.992 6.589 1.00 0.00 H new ATOM 835 N ARG A 57 5.542 5.579 10.627 1.00 0.00 N ATOM 836 CA ARG A 57 6.109 6.327 11.742 1.00 0.00 C ATOM 837 C ARG A 57 6.957 7.492 11.239 1.00 0.00 C ATOM 838 O ARG A 57 6.670 8.653 11.531 1.00 0.00 O ATOM 839 CB ARG A 57 6.957 5.408 12.622 1.00 0.00 C ATOM 840 CG ARG A 57 7.785 6.150 13.658 1.00 0.00 C ATOM 841 CD ARG A 57 8.599 5.191 14.513 1.00 0.00 C ATOM 842 NE ARG A 57 8.831 5.716 15.856 1.00 0.00 N ATOM 843 CZ ARG A 57 9.101 4.951 16.907 1.00 0.00 C ATOM 844 NH1 ARG A 57 9.173 3.634 16.772 1.00 0.00 N ATOM 845 NH2 ARG A 57 9.299 5.503 18.098 1.00 0.00 N ATOM 0 H ARG A 57 6.036 4.715 10.404 1.00 0.00 H new ATOM 0 HA ARG A 57 5.286 6.727 12.334 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.302 4.701 13.131 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.623 4.824 11.987 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.454 6.850 13.157 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.127 6.739 14.297 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.078 4.236 14.582 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.556 4.998 14.029 1.00 0.00 H new ATOM 0 HE ARG A 57 8.783 6.725 15.994 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.021 3.206 15.859 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.381 3.049 17.581 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.244 6.516 18.206 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.506 4.914 18.905 1.00 0.00 H new ATOM 859 N TRP A 58 8.002 7.173 10.484 1.00 0.00 N ATOM 860 CA TRP A 58 8.892 8.193 9.941 1.00 0.00 C ATOM 861 C TRP A 58 8.246 8.906 8.758 1.00 0.00 C ATOM 862 O TRP A 58 8.343 10.126 8.627 1.00 0.00 O ATOM 863 CB TRP A 58 10.219 7.566 9.512 1.00 0.00 C ATOM 864 CG TRP A 58 10.884 6.778 10.601 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.737 5.445 10.854 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.798 7.277 11.583 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.504 5.084 11.935 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.166 6.190 12.400 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.343 8.536 11.851 1.00 0.00 C ATOM 870 CZ2 TRP A 58 13.052 6.326 13.465 1.00 0.00 C ATOM 871 CZ3 TRP A 58 13.223 8.669 12.908 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.571 7.570 13.704 1.00 0.00 C ATOM 0 H TRP A 58 8.254 6.217 10.234 1.00 0.00 H new ATOM 0 HA TRP A 58 9.082 8.927 10.724 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.045 6.914 8.656 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.894 8.354 9.180 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.110 4.773 10.288 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.570 4.145 12.328 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.081 9.389 11.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.320 5.480 14.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.650 9.637 13.124 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.262 7.707 14.522 1.00 0.00 H new ATOM 883 N LYS A 59 7.587 8.137 7.898 1.00 0.00 N ATOM 884 CA LYS A 59 6.923 8.695 6.726 1.00 0.00 C ATOM 885 C LYS A 59 7.863 9.616 5.955 1.00 0.00 C ATOM 886 O LYS A 59 7.496 10.736 5.600 1.00 0.00 O ATOM 887 CB LYS A 59 5.667 9.464 7.143 1.00 0.00 C ATOM 888 CG LYS A 59 4.599 8.587 7.774 1.00 0.00 C ATOM 889 CD LYS A 59 3.268 9.315 7.874 1.00 0.00 C ATOM 890 CE LYS A 59 2.106 8.339 7.978 1.00 0.00 C ATOM 891 NZ LYS A 59 0.859 8.896 7.384 1.00 0.00 N ATOM 0 H LYS A 59 7.498 7.125 7.991 1.00 0.00 H new ATOM 0 HA LYS A 59 6.636 7.869 6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.947 10.246 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.248 9.960 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.475 7.680 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.921 8.278 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.274 9.969 8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.133 9.951 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.366 7.410 7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.931 8.093 9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.114 8.171 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.550 9.721 7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.042 9.186 6.402 1.00 0.00 H new ATOM 905 N GLU A 60 9.076 9.137 5.699 1.00 0.00 N ATOM 906 CA GLU A 60 10.068 9.919 4.970 1.00 0.00 C ATOM 907 C GLU A 60 9.484 10.459 3.667 1.00 0.00 C ATOM 908 O GLU A 60 8.298 10.285 3.388 1.00 0.00 O ATOM 909 CB GLU A 60 11.303 9.067 4.673 1.00 0.00 C ATOM 910 CG GLU A 60 12.422 9.243 5.686 1.00 0.00 C ATOM 911 CD GLU A 60 13.215 7.970 5.907 1.00 0.00 C ATOM 912 OE1 GLU A 60 12.610 6.955 6.309 1.00 0.00 O ATOM 913 OE2 GLU A 60 14.443 7.989 5.676 1.00 0.00 O ATOM 0 H GLU A 60 9.396 8.212 5.985 1.00 0.00 H new ATOM 0 HA GLU A 60 10.359 10.763 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.011 8.017 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.679 9.320 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.094 10.031 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.999 9.573 6.635 1.00 0.00 H new ATOM 920 N ASN A 61 10.326 11.114 2.875 1.00 0.00 N ATOM 921 CA ASN A 61 9.894 11.681 1.603 1.00 0.00 C ATOM 922 C ASN A 61 10.280 10.769 0.442 1.00 0.00 C ATOM 923 O ASN A 61 11.457 10.541 0.164 1.00 0.00 O ATOM 924 CB ASN A 61 10.509 13.067 1.403 1.00 0.00 C ATOM 925 CG ASN A 61 10.737 13.394 -0.060 1.00 0.00 C ATOM 926 OD1 ASN A 61 11.876 13.463 -0.522 1.00 0.00 O ATOM 927 ND2 ASN A 61 9.651 13.596 -0.797 1.00 0.00 N ATOM 0 H ASN A 61 11.311 11.265 3.091 1.00 0.00 H new ATOM 0 HA ASN A 61 8.808 11.773 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.854 13.819 1.842 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.458 13.121 1.936 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.742 13.819 -1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.726 13.529 -0.372 1.00 0.00 H new ATOM 934 N PRO A 62 9.265 10.234 -0.253 1.00 0.00 N ATOM 935 CA PRO A 62 9.473 9.340 -1.396 1.00 0.00 C ATOM 936 C PRO A 62 10.046 10.069 -2.606 1.00 0.00 C ATOM 937 O PRO A 62 9.693 11.216 -2.876 1.00 0.00 O ATOM 938 CB PRO A 62 8.065 8.822 -1.701 1.00 0.00 C ATOM 939 CG PRO A 62 7.152 9.878 -1.182 1.00 0.00 C ATOM 940 CD PRO A 62 7.837 10.462 0.023 1.00 0.00 C ATOM 0 HA PRO A 62 10.193 8.553 -1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.923 8.667 -2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.881 7.865 -1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.971 10.643 -1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.182 9.458 -0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.614 11.523 0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.522 9.969 0.943 1.00 0.00 H new ATOM 948 N SER A 63 10.933 9.395 -3.331 1.00 0.00 N ATOM 949 CA SER A 63 11.559 9.981 -4.511 1.00 0.00 C ATOM 950 C SER A 63 12.218 8.904 -5.367 1.00 0.00 C ATOM 951 O SER A 63 12.551 7.816 -4.895 1.00 0.00 O ATOM 952 CB SER A 63 12.596 11.027 -4.099 1.00 0.00 C ATOM 953 OG SER A 63 12.008 12.311 -3.987 1.00 0.00 O ATOM 0 H SER A 63 11.234 8.443 -3.122 1.00 0.00 H new ATOM 0 HA SER A 63 10.781 10.465 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.044 10.744 -3.146 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.401 11.055 -4.834 1.00 0.00 H new ATOM 0 HG SER A 63 11.113 12.228 -3.596 1.00 0.00 H new ATOM 959 N PRO A 64 12.412 9.212 -6.658 1.00 0.00 N ATOM 960 CA PRO A 64 13.034 8.285 -7.609 1.00 0.00 C ATOM 961 C PRO A 64 14.520 8.081 -7.332 1.00 0.00 C ATOM 962 O PRO A 64 15.195 7.338 -8.043 1.00 0.00 O ATOM 963 CB PRO A 64 12.831 8.973 -8.960 1.00 0.00 C ATOM 964 CG PRO A 64 12.711 10.422 -8.633 1.00 0.00 C ATOM 965 CD PRO A 64 12.040 10.489 -7.289 1.00 0.00 C ATOM 0 HA PRO A 64 12.595 7.289 -7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.671 8.786 -9.629 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.936 8.605 -9.461 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.691 10.898 -8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.125 10.945 -9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.390 11.342 -6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.959 10.590 -7.384 1.00 0.00 H new ATOM 973 N GLU A 65 15.021 8.746 -6.296 1.00 0.00 N ATOM 974 CA GLU A 65 16.427 8.637 -5.927 1.00 0.00 C ATOM 975 C GLU A 65 16.646 7.484 -4.952 1.00 0.00 C ATOM 976 O GLU A 65 17.638 6.762 -5.040 1.00 0.00 O ATOM 977 CB GLU A 65 16.918 9.946 -5.305 1.00 0.00 C ATOM 978 CG GLU A 65 17.243 11.021 -6.328 1.00 0.00 C ATOM 979 CD GLU A 65 18.254 12.028 -5.815 1.00 0.00 C ATOM 980 OE1 GLU A 65 19.312 11.600 -5.309 1.00 0.00 O ATOM 981 OE2 GLU A 65 17.987 13.244 -5.918 1.00 0.00 O ATOM 0 H GLU A 65 14.474 9.365 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 65 16.999 8.437 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.155 10.323 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.807 9.744 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.630 10.552 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.327 11.541 -6.606 1.00 0.00 H new ATOM 988 N ASN A 66 15.712 7.319 -4.021 1.00 0.00 N ATOM 989 CA ASN A 66 15.803 6.256 -3.027 1.00 0.00 C ATOM 990 C ASN A 66 15.313 4.930 -3.602 1.00 0.00 C ATOM 991 O ASN A 66 14.122 4.756 -3.859 1.00 0.00 O ATOM 992 CB ASN A 66 14.986 6.618 -1.785 1.00 0.00 C ATOM 993 CG ASN A 66 15.422 5.840 -0.559 1.00 0.00 C ATOM 994 OD1 ASN A 66 16.027 4.774 -0.669 1.00 0.00 O ATOM 995 ND2 ASN A 66 15.115 6.372 0.619 1.00 0.00 N ATOM 0 H ASN A 66 14.884 7.908 -3.934 1.00 0.00 H new ATOM 0 HA ASN A 66 16.850 6.146 -2.745 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.083 7.686 -1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.931 6.424 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.382 5.894 1.480 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.612 7.258 0.663 1.00 0.00 H new ATOM 1002 N ARG A 67 16.241 4.000 -3.802 1.00 0.00 N ATOM 1003 CA ARG A 67 15.904 2.690 -4.348 1.00 0.00 C ATOM 1004 C ARG A 67 15.141 1.855 -3.325 1.00 0.00 C ATOM 1005 O ARG A 67 13.951 1.583 -3.491 1.00 0.00 O ATOM 1006 CB ARG A 67 17.173 1.953 -4.781 1.00 0.00 C ATOM 1007 CG ARG A 67 17.697 2.388 -6.140 1.00 0.00 C ATOM 1008 CD ARG A 67 17.102 1.549 -7.260 1.00 0.00 C ATOM 1009 NE ARG A 67 17.912 0.369 -7.550 1.00 0.00 N ATOM 1010 CZ ARG A 67 18.969 0.382 -8.355 1.00 0.00 C ATOM 1011 NH1 ARG A 67 19.341 1.509 -8.947 1.00 0.00 N ATOM 1012 NH2 ARG A 67 19.655 -0.733 -8.569 1.00 0.00 N ATOM 0 H ARG A 67 17.231 4.129 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 67 15.265 2.840 -5.218 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.949 2.114 -4.033 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.971 0.882 -4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.458 3.439 -6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.783 2.302 -6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.094 1.238 -6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 67 17.012 2.157 -8.160 1.00 0.00 H new ATOM 0 HE ARG A 67 17.652 -0.514 -7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.815 2.368 -8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 67 20.153 1.517 -9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.371 -1.601 -8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 67 20.466 -0.722 -9.187 1.00 0.00 H new ATOM 1026 N THR A 68 15.834 1.448 -2.265 1.00 0.00 N ATOM 1027 CA THR A 68 15.223 0.642 -1.216 1.00 0.00 C ATOM 1028 C THR A 68 13.839 1.169 -0.853 1.00 0.00 C ATOM 1029 O THR A 68 12.959 0.407 -0.451 1.00 0.00 O ATOM 1030 CB THR A 68 16.098 0.614 0.052 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.419 0.169 -0.275 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.494 -0.303 1.105 1.00 0.00 C ATOM 0 H THR A 68 16.819 1.664 -2.111 1.00 0.00 H new ATOM 0 HA THR A 68 15.132 -0.371 -1.608 1.00 0.00 H new ATOM 0 HB THR A 68 16.146 1.625 0.457 1.00 0.00 H new ATOM 0 HG1 THR A 68 17.970 0.155 0.536 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.129 -0.307 1.991 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.500 0.055 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.420 -1.315 0.707 1.00 0.00 H new ATOM 1040 N LEU A 69 13.653 2.476 -0.997 1.00 0.00 N ATOM 1041 CA LEU A 69 12.375 3.106 -0.685 1.00 0.00 C ATOM 1042 C LEU A 69 11.468 3.136 -1.912 1.00 0.00 C ATOM 1043 O LEU A 69 10.436 2.466 -1.949 1.00 0.00 O ATOM 1044 CB LEU A 69 12.597 4.528 -0.167 1.00 0.00 C ATOM 1045 CG LEU A 69 11.567 5.045 0.838 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.431 4.082 2.007 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.951 6.433 1.330 1.00 0.00 C ATOM 0 H LEU A 69 14.371 3.120 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 69 11.887 2.515 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.582 4.575 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.614 5.206 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 69 10.602 5.113 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.694 4.467 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.108 3.108 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.393 3.980 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.207 6.785 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.927 6.390 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.995 7.119 0.484 1.00 0.00 H new ATOM 1059 N TRP A 70 11.863 3.913 -2.913 1.00 0.00 N ATOM 1060 CA TRP A 70 11.087 4.028 -4.143 1.00 0.00 C ATOM 1061 C TRP A 70 10.629 2.656 -4.627 1.00 0.00 C ATOM 1062 O TRP A 70 9.454 2.458 -4.933 1.00 0.00 O ATOM 1063 CB TRP A 70 11.914 4.716 -5.230 1.00 0.00 C ATOM 1064 CG TRP A 70 11.111 5.092 -6.439 1.00 0.00 C ATOM 1065 CD1 TRP A 70 11.024 4.398 -7.612 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.285 6.251 -6.592 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.193 5.057 -8.486 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.726 6.195 -7.884 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.960 7.329 -5.764 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.863 7.177 -8.365 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 9.105 8.302 -6.243 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.563 8.221 -7.532 1.00 0.00 C ATOM 0 H TRP A 70 12.716 4.473 -2.898 1.00 0.00 H new ATOM 0 HA TRP A 70 10.204 4.632 -3.932 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.373 5.613 -4.814 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.725 4.054 -5.533 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.533 3.469 -7.822 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.962 4.748 -9.430 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.370 7.400 -4.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.446 7.117 -9.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.850 9.141 -5.612 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.895 8.997 -7.875 1.00 0.00 H new ATOM 1083 N GLU A 71 11.564 1.714 -4.694 1.00 0.00 N ATOM 1084 CA GLU A 71 11.255 0.362 -5.143 1.00 0.00 C ATOM 1085 C GLU A 71 10.021 -0.180 -4.426 1.00 0.00 C ATOM 1086 O GLU A 71 8.961 -0.341 -5.029 1.00 0.00 O ATOM 1087 CB GLU A 71 12.447 -0.566 -4.900 1.00 0.00 C ATOM 1088 CG GLU A 71 13.630 -0.288 -5.813 1.00 0.00 C ATOM 1089 CD GLU A 71 14.443 -1.532 -6.109 1.00 0.00 C ATOM 1090 OE1 GLU A 71 14.064 -2.284 -7.031 1.00 0.00 O ATOM 1091 OE2 GLU A 71 15.460 -1.754 -5.418 1.00 0.00 O ATOM 0 H GLU A 71 12.541 1.862 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 71 11.046 0.401 -6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.768 -0.468 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.127 -1.599 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.269 0.137 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.273 0.460 -5.350 1.00 0.00 H new ATOM 1098 N ASN A 72 10.169 -0.460 -3.135 1.00 0.00 N ATOM 1099 CA ASN A 72 9.069 -0.985 -2.335 1.00 0.00 C ATOM 1100 C ASN A 72 7.821 -0.121 -2.494 1.00 0.00 C ATOM 1101 O ASN A 72 6.756 -0.613 -2.871 1.00 0.00 O ATOM 1102 CB ASN A 72 9.470 -1.055 -0.861 1.00 0.00 C ATOM 1103 CG ASN A 72 10.575 -2.063 -0.609 1.00 0.00 C ATOM 1104 OD1 ASN A 72 10.539 -3.181 -1.125 1.00 0.00 O ATOM 1105 ND2 ASN A 72 11.563 -1.672 0.187 1.00 0.00 N ATOM 0 H ASN A 72 11.040 -0.332 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 72 8.842 -1.990 -2.690 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.798 -0.070 -0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.598 -1.319 -0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.334 -2.307 0.393 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.551 -0.736 0.592 1.00 0.00 H new ATOM 1112 N LEU A 73 7.960 1.168 -2.205 1.00 0.00 N ATOM 1113 CA LEU A 73 6.844 2.101 -2.316 1.00 0.00 C ATOM 1114 C LEU A 73 6.193 2.010 -3.692 1.00 0.00 C ATOM 1115 O LEU A 73 5.061 2.455 -3.885 1.00 0.00 O ATOM 1116 CB LEU A 73 7.323 3.531 -2.060 1.00 0.00 C ATOM 1117 CG LEU A 73 7.527 3.919 -0.595 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.697 5.424 -0.460 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.360 3.433 0.252 1.00 0.00 C ATOM 0 H LEU A 73 8.834 1.591 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 73 6.101 1.832 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.265 3.677 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.601 4.219 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 73 8.436 3.438 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.841 5.681 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.566 5.745 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.806 5.926 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.522 3.718 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.436 3.885 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.285 2.348 0.180 1.00 0.00 H new ATOM 1131 N CYS A 74 6.913 1.428 -4.644 1.00 0.00 N ATOM 1132 CA CYS A 74 6.404 1.276 -6.003 1.00 0.00 C ATOM 1133 C CYS A 74 5.400 0.131 -6.083 1.00 0.00 C ATOM 1134 O CYS A 74 4.310 0.283 -6.636 1.00 0.00 O ATOM 1135 CB CYS A 74 7.557 1.028 -6.977 1.00 0.00 C ATOM 1136 SG CYS A 74 7.162 1.409 -8.700 1.00 0.00 S ATOM 0 H CYS A 74 7.851 1.054 -4.501 1.00 0.00 H new ATOM 0 HA CYS A 74 5.896 2.200 -6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.413 1.629 -6.670 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.859 -0.017 -6.907 1.00 0.00 H new ATOM 0 HG CYS A 74 8.199 1.169 -9.446 1.00 0.00 H new ATOM 1142 N THR A 75 5.773 -1.017 -5.527 1.00 0.00 N ATOM 1143 CA THR A 75 4.907 -2.189 -5.537 1.00 0.00 C ATOM 1144 C THR A 75 3.652 -1.952 -4.705 1.00 0.00 C ATOM 1145 O THR A 75 2.561 -2.388 -5.074 1.00 0.00 O ATOM 1146 CB THR A 75 5.639 -3.433 -4.999 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.084 -4.618 -5.581 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.534 -3.509 -3.484 1.00 0.00 C ATOM 0 H THR A 75 6.670 -1.160 -5.064 1.00 0.00 H new ATOM 0 HA THR A 75 4.624 -2.364 -6.575 1.00 0.00 H new ATOM 0 HB THR A 75 6.692 -3.354 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.556 -5.404 -5.235 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.058 -4.395 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.984 -2.619 -3.043 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.485 -3.567 -3.194 1.00 0.00 H new ATOM 1156 N ILE A 76 3.814 -1.260 -3.583 1.00 0.00 N ATOM 1157 CA ILE A 76 2.692 -0.964 -2.700 1.00 0.00 C ATOM 1158 C ILE A 76 1.736 0.036 -3.342 1.00 0.00 C ATOM 1159 O ILE A 76 0.538 0.034 -3.060 1.00 0.00 O ATOM 1160 CB ILE A 76 3.172 -0.404 -1.348 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.249 -1.311 -0.748 1.00 0.00 C ATOM 1162 CG2 ILE A 76 2.000 -0.257 -0.389 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.710 -0.875 0.625 1.00 0.00 C ATOM 0 H ILE A 76 4.711 -0.894 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 76 2.168 -1.905 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 76 3.606 0.582 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.863 -2.328 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.107 -1.336 -1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.356 0.140 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.265 0.426 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.539 -1.231 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.473 -1.563 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.127 0.131 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.863 -0.878 1.311 1.00 0.00 H new ATOM 1175 N ARG A 77 2.274 0.889 -4.207 1.00 0.00 N ATOM 1176 CA ARG A 77 1.469 1.894 -4.890 1.00 0.00 C ATOM 1177 C ARG A 77 0.524 1.243 -5.895 1.00 0.00 C ATOM 1178 O ARG A 77 -0.573 1.742 -6.144 1.00 0.00 O ATOM 1179 CB ARG A 77 2.372 2.904 -5.602 1.00 0.00 C ATOM 1180 CG ARG A 77 1.626 3.819 -6.558 1.00 0.00 C ATOM 1181 CD ARG A 77 0.746 4.809 -5.810 1.00 0.00 C ATOM 1182 NE ARG A 77 -0.340 5.316 -6.644 1.00 0.00 N ATOM 1183 CZ ARG A 77 -0.192 6.299 -7.526 1.00 0.00 C ATOM 1184 NH1 ARG A 77 0.990 6.877 -7.687 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -1.229 6.705 -8.248 1.00 0.00 N ATOM 0 H ARG A 77 3.264 0.904 -4.451 1.00 0.00 H new ATOM 0 HA ARG A 77 0.872 2.415 -4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.883 3.512 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.141 2.365 -6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.341 4.361 -7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.012 3.221 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.329 4.327 -4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.355 5.643 -5.461 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.263 4.893 -6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.789 6.567 -7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.101 7.631 -8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.140 6.263 -8.126 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.115 7.460 -8.925 1.00 0.00 H new ATOM 1199 N ARG A 78 0.958 0.126 -6.470 1.00 0.00 N ATOM 1200 CA ARG A 78 0.152 -0.592 -7.450 1.00 0.00 C ATOM 1201 C ARG A 78 -0.947 -1.398 -6.763 1.00 0.00 C ATOM 1202 O ARG A 78 -2.028 -1.592 -7.319 1.00 0.00 O ATOM 1203 CB ARG A 78 1.034 -1.521 -8.285 1.00 0.00 C ATOM 1204 CG ARG A 78 1.742 -0.820 -9.433 1.00 0.00 C ATOM 1205 CD ARG A 78 3.064 -1.494 -9.767 1.00 0.00 C ATOM 1206 NE ARG A 78 3.414 -1.344 -11.177 1.00 0.00 N ATOM 1207 CZ ARG A 78 2.889 -2.084 -12.147 1.00 0.00 C ATOM 1208 NH1 ARG A 78 1.996 -3.021 -11.861 1.00 0.00 N ATOM 1209 NH2 ARG A 78 3.258 -1.888 -13.406 1.00 0.00 N ATOM 0 H ARG A 78 1.863 -0.301 -6.274 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.315 0.141 -8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.779 -1.981 -7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.420 -2.327 -8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.099 -0.821 -10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.920 0.223 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.855 -1.067 -9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.003 -2.554 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 78 4.099 -0.632 -11.431 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.710 -3.175 -10.894 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.594 -3.588 -12.608 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.945 -1.169 -13.630 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.854 -2.457 -14.150 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.662 -1.865 -5.552 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.626 -2.651 -4.790 1.00 0.00 C ATOM 1225 C PHE A 79 -2.871 -1.828 -4.474 1.00 0.00 C ATOM 1226 O PHE A 79 -3.998 -2.297 -4.639 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.991 -3.155 -3.492 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.850 -4.137 -2.748 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -3.051 -3.740 -2.183 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -1.456 -5.459 -2.613 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.842 -4.641 -1.497 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -2.243 -6.366 -1.928 1.00 0.00 C ATOM 1233 CZ PHE A 79 -3.438 -5.956 -1.370 1.00 0.00 C ATOM 0 H PHE A 79 0.228 -1.713 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.922 -3.506 -5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.034 -3.623 -3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.782 -2.304 -2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.373 -2.714 -2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.523 -5.785 -3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.775 -4.318 -1.060 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.924 -7.393 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.056 -6.662 -0.835 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.660 -0.598 -4.019 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.765 0.292 -3.680 1.00 0.00 C ATOM 1245 C LEU A 80 -4.614 0.600 -4.909 1.00 0.00 C ATOM 1246 O LEU A 80 -5.827 0.777 -4.808 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.231 1.593 -3.076 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.243 1.440 -1.919 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.583 2.773 -1.601 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.944 0.882 -0.689 1.00 0.00 C ATOM 0 H LEU A 80 -1.734 -0.194 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.393 -0.212 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.747 2.166 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.079 2.183 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.467 0.737 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.883 2.645 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.046 3.132 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.346 3.499 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.226 0.780 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.741 1.560 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.368 -0.094 -0.923 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.968 0.659 -6.069 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.665 0.943 -7.318 1.00 0.00 C ATOM 1264 C ASN A 81 -5.693 -0.141 -7.626 1.00 0.00 C ATOM 1265 O ASN A 81 -6.666 0.097 -8.344 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.664 1.055 -8.470 1.00 0.00 C ATOM 1267 CG ASN A 81 -3.125 2.463 -8.634 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -3.888 3.423 -8.740 1.00 0.00 O ATOM 1269 ND2 ASN A 81 -1.803 2.591 -8.654 1.00 0.00 N ATOM 0 H ASN A 81 -2.963 0.514 -6.170 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.188 1.893 -7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.835 0.370 -8.295 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.145 0.743 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.382 3.514 -8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.209 1.767 -8.563 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.473 -1.331 -7.078 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.381 -2.452 -7.293 1.00 0.00 C ATOM 1278 C LEU A 82 -7.750 -2.168 -6.685 1.00 0.00 C ATOM 1279 O LEU A 82 -7.880 -1.447 -5.696 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.796 -3.730 -6.689 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.446 -4.180 -7.247 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -3.900 -5.351 -6.445 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.574 -4.552 -8.717 1.00 0.00 C ATOM 0 H LEU A 82 -4.674 -1.544 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.503 -2.588 -8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.692 -3.585 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.514 -4.538 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.745 -3.350 -7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.939 -5.657 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.770 -5.051 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.600 -6.185 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.603 -4.870 -9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.291 -5.366 -8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.920 -3.687 -9.283 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.798 -2.750 -7.288 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.176 -2.576 -6.821 1.00 0.00 C ATOM 1297 C PRO A 83 -10.430 -3.275 -5.489 1.00 0.00 C ATOM 1298 O PRO A 83 -9.791 -4.278 -5.174 1.00 0.00 O ATOM 1299 CB PRO A 83 -11.011 -3.222 -7.930 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.097 -4.213 -8.563 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.717 -3.622 -8.471 1.00 0.00 C ATOM 0 HA PRO A 83 -10.416 -1.528 -6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.900 -3.705 -7.526 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.352 -2.480 -8.652 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.146 -5.173 -8.049 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.376 -4.393 -9.601 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.957 -4.394 -8.350 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.460 -3.059 -9.368 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.365 -2.737 -4.713 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.702 -3.310 -3.415 1.00 0.00 C ATOM 1311 C GLN A 84 -11.942 -4.812 -3.529 1.00 0.00 C ATOM 1312 O GLN A 84 -11.516 -5.586 -2.671 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.942 -2.626 -2.838 1.00 0.00 C ATOM 1314 CG GLN A 84 -13.398 -3.211 -1.511 1.00 0.00 C ATOM 1315 CD GLN A 84 -12.270 -3.320 -0.504 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -11.801 -4.416 -0.196 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -11.829 -2.181 0.017 1.00 0.00 N ATOM 0 H GLN A 84 -11.902 -1.906 -4.960 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.859 -3.145 -2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.732 -1.565 -2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.757 -2.702 -3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.191 -2.588 -1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.825 -4.199 -1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.247 -1.295 -0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.073 -2.192 0.701 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.627 -5.218 -4.593 1.00 0.00 N ATOM 1327 CA HIS A 85 -12.923 -6.629 -4.819 1.00 0.00 C ATOM 1328 C HIS A 85 -11.639 -7.433 -4.993 1.00 0.00 C ATOM 1329 O HIS A 85 -11.610 -8.636 -4.739 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.813 -6.793 -6.051 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.046 -6.949 -7.328 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.829 -5.909 -8.207 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.440 -8.031 -7.870 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.125 -6.345 -9.237 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -11.876 -7.630 -9.056 1.00 0.00 N ATOM 0 H HIS A 85 -12.988 -4.591 -5.312 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.452 -7.009 -3.945 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.454 -7.664 -5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.468 -5.926 -6.134 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.406 -9.025 -7.448 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.807 -5.752 -10.082 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.350 -8.227 -9.694 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.579 -6.759 -5.429 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.292 -7.412 -5.639 1.00 0.00 C ATOM 1346 C GLU A 86 -8.498 -7.480 -4.337 1.00 0.00 C ATOM 1347 O GLU A 86 -8.247 -8.562 -3.807 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.484 -6.667 -6.704 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.730 -7.171 -8.116 1.00 0.00 C ATOM 1350 CD GLU A 86 -7.799 -8.304 -8.502 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -6.633 -8.293 -8.055 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -8.237 -9.202 -9.251 1.00 0.00 O ATOM 0 H GLU A 86 -10.586 -5.762 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.481 -8.429 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.729 -5.606 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.423 -6.759 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.763 -7.509 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.604 -6.347 -8.819 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.105 -6.316 -3.829 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.338 -6.243 -2.592 1.00 0.00 C ATOM 1361 C ARG A 87 -7.944 -7.147 -1.522 1.00 0.00 C ATOM 1362 O ARG A 87 -7.231 -7.885 -0.842 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.285 -4.801 -2.085 1.00 0.00 C ATOM 1364 CG ARG A 87 -6.618 -3.839 -3.054 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.374 -2.481 -2.413 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.524 -1.593 -2.560 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.583 -1.623 -1.758 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -8.637 -2.492 -0.759 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -9.590 -0.782 -1.955 1.00 0.00 N ATOM 0 H ARG A 87 -8.305 -5.411 -4.255 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.325 -6.586 -2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.300 -4.457 -1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.749 -4.778 -1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.670 -4.259 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.245 -3.718 -3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.152 -2.614 -1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.498 -2.018 -2.867 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.514 -0.913 -3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.865 -3.140 -0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.451 -2.513 -0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.552 -0.112 -2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.402 -0.806 -1.339 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.263 -7.084 -1.379 1.00 0.00 N ATOM 1384 CA ASP A 88 -9.965 -7.897 -0.393 1.00 0.00 C ATOM 1385 C ASP A 88 -9.645 -9.376 -0.581 1.00 0.00 C ATOM 1386 O ASP A 88 -9.527 -10.125 0.390 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.475 -7.672 -0.497 1.00 0.00 C ATOM 1388 CG ASP A 88 -12.228 -8.243 0.688 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -12.216 -9.481 0.859 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -12.829 -7.453 1.446 1.00 0.00 O ATOM 0 H ASP A 88 -9.868 -6.478 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.627 -7.594 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.676 -6.603 -0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.845 -8.130 -1.414 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.505 -9.792 -1.836 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.198 -11.182 -2.151 1.00 0.00 C ATOM 1397 C VAL A 89 -7.813 -11.567 -1.644 1.00 0.00 C ATOM 1398 O VAL A 89 -7.646 -12.595 -0.987 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.268 -11.442 -3.668 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -8.936 -12.893 -3.977 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.641 -11.074 -4.208 1.00 0.00 C ATOM 0 H VAL A 89 -9.599 -9.186 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.948 -11.794 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.528 -10.812 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.991 -13.058 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.929 -13.119 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.650 -13.545 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.673 -11.264 -5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.401 -11.676 -3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.835 -10.018 -4.021 1.00 0.00 H new ATOM 1411 N ILE A 90 -6.824 -10.736 -1.952 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.453 -10.989 -1.525 1.00 0.00 C ATOM 1413 C ILE A 90 -5.378 -11.208 -0.018 1.00 0.00 C ATOM 1414 O ILE A 90 -4.823 -12.204 0.448 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.519 -9.826 -1.910 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.479 -9.658 -3.431 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.121 -10.065 -1.361 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.087 -8.266 -3.874 1.00 0.00 C ATOM 0 H ILE A 90 -6.946 -9.882 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.125 -11.893 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.907 -8.907 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.774 -10.376 -3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.460 -9.899 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.473 -9.235 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.165 -10.140 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.722 -10.992 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.079 -8.219 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.806 -7.545 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.093 -8.029 -3.494 1.00 0.00 H new ATOM 1430 N TYR A 91 -5.941 -10.273 0.739 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.937 -10.364 2.194 1.00 0.00 C ATOM 1432 C TYR A 91 -6.603 -11.655 2.661 1.00 0.00 C ATOM 1433 O TYR A 91 -6.138 -12.301 3.600 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.655 -9.158 2.803 1.00 0.00 C ATOM 1435 CG TYR A 91 -6.079 -7.829 2.370 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.726 -7.552 2.522 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.888 -6.849 1.807 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -4.196 -6.339 2.128 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.367 -5.633 1.409 1.00 0.00 C ATOM 1440 CZ TYR A 91 -5.020 -5.383 1.572 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.496 -4.174 1.177 1.00 0.00 O ATOM 0 H TYR A 91 -6.406 -9.444 0.369 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.900 -10.369 2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.709 -9.195 2.527 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.608 -9.228 3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.077 -8.298 2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.943 -7.042 1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.142 -6.140 2.255 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.010 -4.883 0.973 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.861 -4.316 0.445 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.695 -12.024 1.998 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.425 -13.237 2.345 1.00 0.00 C ATOM 1453 C GLU A 92 -7.570 -14.476 2.097 1.00 0.00 C ATOM 1454 O GLU A 92 -7.378 -15.300 2.991 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.721 -13.328 1.537 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.759 -12.291 1.933 1.00 0.00 C ATOM 1457 CD GLU A 92 -11.583 -12.718 3.132 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -12.455 -13.597 2.968 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -11.357 -12.174 4.233 1.00 0.00 O ATOM 0 H GLU A 92 -8.093 -11.500 1.218 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.670 -13.192 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.488 -13.211 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.148 -14.323 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.259 -11.349 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.423 -12.106 1.088 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.060 -14.601 0.875 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.227 -15.740 0.509 1.00 0.00 C ATOM 1468 C GLU A 93 -5.015 -15.847 1.430 1.00 0.00 C ATOM 1469 O GLU A 93 -4.687 -16.927 1.918 1.00 0.00 O ATOM 1470 CB GLU A 93 -5.767 -15.617 -0.945 1.00 0.00 C ATOM 1471 CG GLU A 93 -6.912 -15.535 -1.941 1.00 0.00 C ATOM 1472 CD GLU A 93 -6.532 -16.056 -3.313 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -5.423 -15.730 -3.785 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -7.343 -16.791 -3.914 1.00 0.00 O ATOM 0 H GLU A 93 -7.209 -13.928 0.123 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.825 -16.645 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.144 -14.728 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.141 -16.474 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.760 -16.106 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.239 -14.499 -2.028 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.353 -14.717 1.660 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.176 -14.683 2.521 1.00 0.00 C ATOM 1483 C GLU A 94 -3.531 -15.106 3.943 1.00 0.00 C ATOM 1484 O GLU A 94 -3.172 -16.198 4.386 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.564 -13.281 2.531 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.386 -13.138 3.480 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.308 -14.175 3.232 1.00 0.00 C ATOM 1488 OE1 GLU A 94 -0.265 -14.729 2.114 1.00 0.00 O ATOM 1489 OE2 GLU A 94 0.491 -14.433 4.156 1.00 0.00 O ATOM 0 H GLU A 94 -4.611 -13.814 1.263 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.445 -15.387 2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.239 -13.028 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.333 -12.560 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.958 -12.141 3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.739 -13.225 4.507 1.00 0.00 H new