USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=16 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 27 GLN : amide:sc= -0.0962 X(o=-0.096,f=0) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -163:sc= 1.31 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 138:sc= -2.15 (180deg=-4.31!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -121:sc= 1.18 (180deg=-0.894) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0622 USER MOD Single : A 37 GLN : amide:sc= -2.3 K(o=-2.3,f=-8!) USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= 1.13 (180deg=-0.524) USER MOD Single : A 46 ASN : amide:sc= -1.4 K(o=-1.4,f=-2!) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= 0.0865 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.4! C(o=-2.4!,f=-4.3!) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.784 K(o=-0.78,f=-7!) USER MOD Single : A 63 SER OG : rot 37:sc= 0.519 USER MOD Single : A 66 ASN : amide:sc= -4.15! C(o=-4.2!,f=-5.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -1.1 F(o=-1.7,f=-1.1) 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= -0.566 X(o=-0.57,f=-0.74) USER MOD Single : A 84 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.0071) USER MOD Single : A 85 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-5.2!) USER MOD Single : A 91 TYR OH : rot -39:sc= 0.342 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.296 5.487 -12.697 1.00 0.00 N ATOM 181 CA ILE A 16 4.480 5.634 -11.498 1.00 0.00 C ATOM 182 C ILE A 16 4.985 6.778 -10.626 1.00 0.00 C ATOM 183 O ILE A 16 6.153 6.809 -10.241 1.00 0.00 O ATOM 184 CB ILE A 16 4.464 4.338 -10.666 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.835 3.198 -11.470 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.709 4.554 -9.363 1.00 0.00 C ATOM 187 CD1 ILE A 16 3.960 1.846 -10.802 1.00 0.00 C ATOM 0 HA ILE A 16 3.466 5.855 -11.832 1.00 0.00 H new ATOM 0 HB ILE A 16 5.492 4.065 -10.426 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.780 3.418 -11.632 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.306 3.154 -12.452 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.707 3.629 -8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.196 5.340 -8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.682 4.848 -9.582 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.492 1.086 -11.428 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.014 1.604 -10.664 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.464 1.872 -9.832 1.00 0.00 H new ATOM 199 N ASN A 17 4.096 7.716 -10.316 1.00 0.00 N ATOM 200 CA ASN A 17 4.451 8.862 -9.488 1.00 0.00 C ATOM 201 C ASN A 17 4.110 8.602 -8.024 1.00 0.00 C ATOM 202 O ASN A 17 2.953 8.707 -7.618 1.00 0.00 O ATOM 203 CB ASN A 17 3.724 10.117 -9.977 1.00 0.00 C ATOM 204 CG ASN A 17 4.447 11.392 -9.589 1.00 0.00 C ATOM 205 OD1 ASN A 17 5.510 11.704 -10.125 1.00 0.00 O ATOM 206 ND2 ASN A 17 3.871 12.137 -8.653 1.00 0.00 N ATOM 0 H ASN A 17 3.124 7.705 -10.626 1.00 0.00 H new ATOM 0 HA ASN A 17 5.527 9.018 -9.570 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.623 10.076 -11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.716 10.134 -9.563 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.310 13.007 -8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.989 11.840 -8.236 1.00 0.00 H new ATOM 213 N ILE A 18 5.126 8.262 -7.237 1.00 0.00 N ATOM 214 CA ILE A 18 4.934 7.989 -5.818 1.00 0.00 C ATOM 215 C ILE A 18 4.910 9.280 -5.007 1.00 0.00 C ATOM 216 O ILE A 18 5.705 10.191 -5.245 1.00 0.00 O ATOM 217 CB ILE A 18 6.040 7.070 -5.267 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.262 5.882 -6.206 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.681 6.588 -3.870 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.114 4.898 -6.216 1.00 0.00 C ATOM 0 H ILE A 18 6.090 8.169 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 18 3.972 7.485 -5.721 1.00 0.00 H new ATOM 0 HB ILE A 18 6.968 7.639 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.420 6.254 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.173 5.362 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.472 5.940 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.569 7.446 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.744 6.033 -3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.340 4.082 -6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.969 4.498 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.204 5.404 -6.540 1.00 0.00 H new ATOM 232 N THR A 19 3.994 9.353 -4.047 1.00 0.00 N ATOM 233 CA THR A 19 3.867 10.532 -3.200 1.00 0.00 C ATOM 234 C THR A 19 3.695 10.142 -1.736 1.00 0.00 C ATOM 235 O THR A 19 3.224 9.047 -1.427 1.00 0.00 O ATOM 236 CB THR A 19 2.674 11.407 -3.630 1.00 0.00 C ATOM 237 OG1 THR A 19 1.457 10.658 -3.533 1.00 0.00 O ATOM 238 CG2 THR A 19 2.856 11.907 -5.055 1.00 0.00 C ATOM 0 H THR A 19 3.329 8.609 -3.837 1.00 0.00 H new ATOM 0 HA THR A 19 4.788 11.104 -3.315 1.00 0.00 H new ATOM 0 HB THR A 19 2.624 12.268 -2.963 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.703 11.222 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.002 12.522 -5.337 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.768 12.501 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.929 11.056 -5.733 1.00 0.00 H new ATOM 246 N ALA A 20 4.077 11.044 -0.839 1.00 0.00 N ATOM 247 CA ALA A 20 3.963 10.795 0.593 1.00 0.00 C ATOM 248 C ALA A 20 2.608 10.185 0.936 1.00 0.00 C ATOM 249 O ALA A 20 2.511 9.310 1.796 1.00 0.00 O ATOM 250 CB ALA A 20 4.176 12.084 1.372 1.00 0.00 C ATOM 0 H ALA A 20 4.469 11.955 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 20 4.737 10.081 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.088 11.883 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.169 12.479 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.424 12.816 1.078 1.00 0.00 H new ATOM 256 N ALA A 21 1.564 10.654 0.260 1.00 0.00 N ATOM 257 CA ALA A 21 0.215 10.153 0.494 1.00 0.00 C ATOM 258 C ALA A 21 0.206 8.633 0.610 1.00 0.00 C ATOM 259 O ALA A 21 -0.548 8.066 1.402 1.00 0.00 O ATOM 260 CB ALA A 21 -0.715 10.604 -0.622 1.00 0.00 C ATOM 0 H ALA A 21 1.627 11.380 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.141 10.565 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.719 10.223 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.741 11.693 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.353 10.219 -1.575 1.00 0.00 H new ATOM 266 N ILE A 22 1.048 7.978 -0.182 1.00 0.00 N ATOM 267 CA ILE A 22 1.137 6.523 -0.166 1.00 0.00 C ATOM 268 C ILE A 22 1.034 5.982 1.255 1.00 0.00 C ATOM 269 O ILE A 22 0.417 4.943 1.492 1.00 0.00 O ATOM 270 CB ILE A 22 2.454 6.032 -0.796 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.422 4.514 -0.980 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.639 6.443 0.065 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.274 4.026 -2.130 1.00 0.00 C ATOM 0 H ILE A 22 1.678 8.432 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 22 0.300 6.149 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 22 2.565 6.495 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.761 4.038 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.392 4.198 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.562 6.089 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.669 7.529 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.536 6.006 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.203 2.941 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.922 4.474 -3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.312 4.311 -1.960 1.00 0.00 H new ATOM 285 N TYR A 23 1.641 6.693 2.199 1.00 0.00 N ATOM 286 CA TYR A 23 1.618 6.284 3.598 1.00 0.00 C ATOM 287 C TYR A 23 0.195 6.304 4.149 1.00 0.00 C ATOM 288 O TYR A 23 -0.263 5.333 4.752 1.00 0.00 O ATOM 289 CB TYR A 23 2.513 7.200 4.434 1.00 0.00 C ATOM 290 CG TYR A 23 3.976 7.124 4.059 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.684 5.936 4.182 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.649 8.242 3.580 1.00 0.00 C ATOM 293 CE1 TYR A 23 6.021 5.862 3.841 1.00 0.00 C ATOM 294 CE2 TYR A 23 5.985 8.177 3.235 1.00 0.00 C ATOM 295 CZ TYR A 23 6.667 6.986 3.368 1.00 0.00 C ATOM 296 OH TYR A 23 7.998 6.916 3.025 1.00 0.00 O ATOM 0 H TYR A 23 2.155 7.556 2.020 1.00 0.00 H new ATOM 0 HA TYR A 23 1.997 5.264 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.171 8.229 4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.402 6.940 5.487 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.181 5.054 4.551 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.119 9.177 3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.557 4.930 3.944 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.493 9.055 2.863 1.00 0.00 H new ATOM 0 HH TYR A 23 8.372 7.821 2.977 1.00 0.00 H new ATOM 306 N ASP A 24 -0.499 7.416 3.935 1.00 0.00 N ATOM 307 CA ASP A 24 -1.871 7.564 4.407 1.00 0.00 C ATOM 308 C ASP A 24 -2.764 6.467 3.835 1.00 0.00 C ATOM 309 O ASP A 24 -3.514 5.822 4.566 1.00 0.00 O ATOM 310 CB ASP A 24 -2.420 8.939 4.023 1.00 0.00 C ATOM 311 CG ASP A 24 -2.097 10.001 5.055 1.00 0.00 C ATOM 312 OD1 ASP A 24 -2.681 9.954 6.158 1.00 0.00 O ATOM 313 OD2 ASP A 24 -1.259 10.879 4.761 1.00 0.00 O ATOM 0 H ASP A 24 -0.134 8.228 3.438 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.867 7.474 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.006 9.236 3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.501 8.874 3.899 1.00 0.00 H new ATOM 318 N GLU A 25 -2.677 6.264 2.524 1.00 0.00 N ATOM 319 CA GLU A 25 -3.479 5.247 1.855 1.00 0.00 C ATOM 320 C GLU A 25 -3.310 3.889 2.531 1.00 0.00 C ATOM 321 O GLU A 25 -4.268 3.126 2.661 1.00 0.00 O ATOM 322 CB GLU A 25 -3.087 5.147 0.379 1.00 0.00 C ATOM 323 CG GLU A 25 -3.172 6.469 -0.364 1.00 0.00 C ATOM 324 CD GLU A 25 -3.501 6.292 -1.834 1.00 0.00 C ATOM 325 OE1 GLU A 25 -4.666 5.968 -2.146 1.00 0.00 O ATOM 326 OE2 GLU A 25 -2.594 6.477 -2.672 1.00 0.00 O ATOM 0 H GLU A 25 -2.060 6.790 1.905 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.526 5.541 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.069 4.764 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.735 4.421 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.933 7.095 0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.223 6.997 -0.269 1.00 0.00 H new ATOM 333 N ILE A 26 -2.087 3.596 2.957 1.00 0.00 N ATOM 334 CA ILE A 26 -1.792 2.331 3.620 1.00 0.00 C ATOM 335 C ILE A 26 -2.545 2.214 4.941 1.00 0.00 C ATOM 336 O ILE A 26 -3.059 1.149 5.281 1.00 0.00 O ATOM 337 CB ILE A 26 -0.284 2.172 3.885 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.483 2.090 2.564 1.00 0.00 C ATOM 339 CG2 ILE A 26 -0.022 0.937 4.734 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.950 2.438 2.694 1.00 0.00 C ATOM 0 H ILE A 26 -1.284 4.217 2.855 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.119 1.538 2.947 1.00 0.00 H new ATOM 0 HB ILE A 26 0.067 3.046 4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.392 1.081 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.021 2.764 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.049 0.839 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.541 1.034 5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.385 0.052 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.431 2.359 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.050 3.458 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.427 1.749 3.391 1.00 0.00 H new ATOM 352 N GLN A 27 -2.606 3.317 5.680 1.00 0.00 N ATOM 353 CA GLN A 27 -3.298 3.338 6.964 1.00 0.00 C ATOM 354 C GLN A 27 -4.780 3.025 6.789 1.00 0.00 C ATOM 355 O GLN A 27 -5.307 2.106 7.415 1.00 0.00 O ATOM 356 CB GLN A 27 -3.128 4.701 7.636 1.00 0.00 C ATOM 357 CG GLN A 27 -1.679 5.065 7.918 1.00 0.00 C ATOM 358 CD GLN A 27 -1.544 6.165 8.952 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.254 5.904 10.120 1.00 0.00 O ATOM 360 NE2 GLN A 27 -1.755 7.406 8.527 1.00 0.00 N ATOM 0 H GLN A 27 -2.185 4.207 5.412 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.856 2.570 7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.569 5.468 6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.684 4.706 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.147 4.179 8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.201 5.382 6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.993 7.577 7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.679 8.188 9.178 1.00 0.00 H new ATOM 369 N GLN A 28 -5.446 3.795 5.935 1.00 0.00 N ATOM 370 CA GLN A 28 -6.868 3.600 5.679 1.00 0.00 C ATOM 371 C GLN A 28 -7.121 2.251 5.012 1.00 0.00 C ATOM 372 O GLN A 28 -7.977 1.483 5.450 1.00 0.00 O ATOM 373 CB GLN A 28 -7.409 4.727 4.798 1.00 0.00 C ATOM 374 CG GLN A 28 -7.301 6.103 5.436 1.00 0.00 C ATOM 375 CD GLN A 28 -8.338 7.074 4.907 1.00 0.00 C ATOM 376 OE1 GLN A 28 -9.372 7.299 5.537 1.00 0.00 O ATOM 377 NE2 GLN A 28 -8.066 7.656 3.745 1.00 0.00 N ATOM 0 H GLN A 28 -5.024 4.560 5.409 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.389 3.615 6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.866 4.730 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.454 4.525 4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.415 6.009 6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.305 6.506 5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.197 7.440 3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.726 8.319 3.340 1.00 0.00 H new ATOM 386 N GLU A 29 -6.371 1.971 3.951 1.00 0.00 N ATOM 387 CA GLU A 29 -6.516 0.716 3.224 1.00 0.00 C ATOM 388 C GLU A 29 -6.592 -0.465 4.187 1.00 0.00 C ATOM 389 O GLU A 29 -7.345 -1.413 3.965 1.00 0.00 O ATOM 390 CB GLU A 29 -5.347 0.524 2.255 1.00 0.00 C ATOM 391 CG GLU A 29 -5.504 -0.681 1.343 1.00 0.00 C ATOM 392 CD GLU A 29 -6.832 -0.691 0.612 1.00 0.00 C ATOM 393 OE1 GLU A 29 -7.216 0.363 0.064 1.00 0.00 O ATOM 394 OE2 GLU A 29 -7.488 -1.754 0.588 1.00 0.00 O ATOM 0 H GLU A 29 -5.657 2.596 3.576 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.445 0.760 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.242 1.420 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.425 0.418 2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.693 -0.689 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.412 -1.593 1.933 1.00 0.00 H new ATOM 401 N MET A 30 -5.805 -0.400 5.256 1.00 0.00 N ATOM 402 CA MET A 30 -5.783 -1.464 6.254 1.00 0.00 C ATOM 403 C MET A 30 -7.127 -1.567 6.968 1.00 0.00 C ATOM 404 O MET A 30 -7.769 -2.618 6.957 1.00 0.00 O ATOM 405 CB MET A 30 -4.669 -1.214 7.272 1.00 0.00 C ATOM 406 CG MET A 30 -3.342 -1.849 6.889 1.00 0.00 C ATOM 407 SD MET A 30 -2.104 -1.710 8.193 1.00 0.00 S ATOM 408 CE MET A 30 -1.391 -0.112 7.814 1.00 0.00 C ATOM 0 H MET A 30 -5.175 0.377 5.454 1.00 0.00 H new ATOM 0 HA MET A 30 -5.591 -2.406 5.741 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.528 -0.139 7.388 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.981 -1.601 8.242 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.501 -2.902 6.655 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.965 -1.375 5.983 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.234 0.445 8.738 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.436 -0.251 7.307 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.068 0.444 7.166 1.00 0.00 H new ATOM 418 N LYS A 31 -7.548 -0.470 7.590 1.00 0.00 N ATOM 419 CA LYS A 31 -8.816 -0.436 8.309 1.00 0.00 C ATOM 420 C LYS A 31 -9.976 -0.781 7.381 1.00 0.00 C ATOM 421 O LYS A 31 -11.036 -1.215 7.833 1.00 0.00 O ATOM 422 CB LYS A 31 -9.037 0.945 8.928 1.00 0.00 C ATOM 423 CG LYS A 31 -9.783 1.907 8.019 1.00 0.00 C ATOM 424 CD LYS A 31 -11.287 1.809 8.218 1.00 0.00 C ATOM 425 CE LYS A 31 -11.776 2.793 9.269 1.00 0.00 C ATOM 426 NZ LYS A 31 -12.164 4.099 8.668 1.00 0.00 N ATOM 0 H LYS A 31 -7.029 0.408 7.610 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.776 -1.181 9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.594 0.832 9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.070 1.377 9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.454 2.927 8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.538 1.691 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.793 2.003 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.550 0.795 8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.630 2.367 9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.992 2.953 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.492 4.742 9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.342 4.518 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.929 3.951 7.980 1.00 0.00 H new ATOM 440 N ARG A 32 -9.768 -0.588 6.083 1.00 0.00 N ATOM 441 CA ARG A 32 -10.798 -0.879 5.092 1.00 0.00 C ATOM 442 C ARG A 32 -10.804 -2.362 4.734 1.00 0.00 C ATOM 443 O ARG A 32 -11.863 -2.969 4.578 1.00 0.00 O ATOM 444 CB ARG A 32 -10.575 -0.040 3.833 1.00 0.00 C ATOM 445 CG ARG A 32 -11.860 0.312 3.101 1.00 0.00 C ATOM 446 CD ARG A 32 -12.477 1.592 3.643 1.00 0.00 C ATOM 447 NE ARG A 32 -13.477 2.146 2.733 1.00 0.00 N ATOM 448 CZ ARG A 32 -13.888 3.408 2.774 1.00 0.00 C ATOM 449 NH1 ARG A 32 -13.388 4.243 3.674 1.00 0.00 N ATOM 450 NH2 ARG A 32 -14.801 3.837 1.912 1.00 0.00 N ATOM 0 H ARG A 32 -8.896 -0.231 5.693 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.766 -0.623 5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.059 0.880 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.918 -0.585 3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.654 0.428 2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.572 -0.507 3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.939 1.391 4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.692 2.329 3.812 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.881 1.530 2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.685 3.917 4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.706 5.212 3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.187 3.197 1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.117 4.806 1.944 1.00 0.00 H new ATOM 464 N ALA A 33 -9.613 -2.939 4.606 1.00 0.00 N ATOM 465 CA ALA A 33 -9.481 -4.351 4.268 1.00 0.00 C ATOM 466 C ALA A 33 -9.486 -5.218 5.522 1.00 0.00 C ATOM 467 O ALA A 33 -9.572 -6.444 5.442 1.00 0.00 O ATOM 468 CB ALA A 33 -8.210 -4.585 3.466 1.00 0.00 C ATOM 0 H ALA A 33 -8.726 -2.450 4.731 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.339 -4.635 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.124 -5.644 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.247 -4.001 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.346 -4.278 4.056 1.00 0.00 H new ATOM 474 N LYS A 34 -9.391 -4.575 6.681 1.00 0.00 N ATOM 475 CA LYS A 34 -9.384 -5.287 7.953 1.00 0.00 C ATOM 476 C LYS A 34 -8.118 -6.125 8.101 1.00 0.00 C ATOM 477 O LYS A 34 -8.177 -7.294 8.483 1.00 0.00 O ATOM 478 CB LYS A 34 -10.619 -6.185 8.066 1.00 0.00 C ATOM 479 CG LYS A 34 -11.868 -5.580 7.449 1.00 0.00 C ATOM 480 CD LYS A 34 -12.596 -4.680 8.433 1.00 0.00 C ATOM 481 CE LYS A 34 -11.645 -3.696 9.097 1.00 0.00 C ATOM 482 NZ LYS A 34 -12.369 -2.533 9.681 1.00 0.00 N ATOM 0 H LYS A 34 -9.318 -3.561 6.765 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.405 -4.548 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.410 -7.139 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.809 -6.397 9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.596 -5.007 6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.535 -6.377 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.383 -4.133 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.081 -5.290 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.084 -4.205 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.919 -3.342 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.020 -1.654 9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.388 -2.630 9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.205 -2.502 10.708 1.00 0.00 H new ATOM 496 N VAL A 35 -6.974 -5.520 7.798 1.00 0.00 N ATOM 497 CA VAL A 35 -5.694 -6.210 7.900 1.00 0.00 C ATOM 498 C VAL A 35 -4.746 -5.473 8.839 1.00 0.00 C ATOM 499 O VAL A 35 -5.067 -4.397 9.343 1.00 0.00 O ATOM 500 CB VAL A 35 -5.024 -6.355 6.521 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.012 -6.902 5.502 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.455 -5.021 6.062 1.00 0.00 C ATOM 0 H VAL A 35 -6.908 -4.553 7.480 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.900 -7.202 8.302 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.201 -7.064 6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.521 -6.998 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.366 -7.880 5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.858 -6.221 5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.985 -5.142 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.259 -4.288 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.713 -4.675 6.781 1.00 0.00 H new ATOM 512 N SER A 36 -3.575 -6.059 9.069 1.00 0.00 N ATOM 513 CA SER A 36 -2.580 -5.459 9.950 1.00 0.00 C ATOM 514 C SER A 36 -1.364 -4.990 9.156 1.00 0.00 C ATOM 515 O SER A 36 -1.076 -5.509 8.078 1.00 0.00 O ATOM 516 CB SER A 36 -2.148 -6.461 11.023 1.00 0.00 C ATOM 517 OG SER A 36 -0.918 -6.077 11.613 1.00 0.00 O ATOM 0 H SER A 36 -3.292 -6.948 8.657 1.00 0.00 H new ATOM 0 HA SER A 36 -3.033 -4.593 10.433 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.918 -6.530 11.792 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.049 -7.452 10.581 1.00 0.00 H new ATOM 0 HG SER A 36 -0.664 -6.732 12.296 1.00 0.00 H new ATOM 523 N GLN A 37 -0.655 -4.006 9.699 1.00 0.00 N ATOM 524 CA GLN A 37 0.530 -3.466 9.042 1.00 0.00 C ATOM 525 C GLN A 37 1.445 -4.588 8.563 1.00 0.00 C ATOM 526 O GLN A 37 2.128 -4.454 7.547 1.00 0.00 O ATOM 527 CB GLN A 37 1.292 -2.543 9.995 1.00 0.00 C ATOM 528 CG GLN A 37 0.400 -1.847 11.010 1.00 0.00 C ATOM 529 CD GLN A 37 0.931 -0.487 11.418 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.969 -0.041 10.929 1.00 0.00 O ATOM 531 NE2 GLN A 37 0.220 0.180 12.320 1.00 0.00 N ATOM 0 H GLN A 37 -0.880 -3.566 10.592 1.00 0.00 H new ATOM 0 HA GLN A 37 0.204 -2.892 8.175 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.046 -3.124 10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.822 -1.790 9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.600 -1.732 10.591 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.304 -2.476 11.895 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.635 -0.228 12.699 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.529 1.100 12.634 1.00 0.00 H new ATOM 540 N ALA A 38 1.454 -5.694 9.300 1.00 0.00 N ATOM 541 CA ALA A 38 2.284 -6.840 8.949 1.00 0.00 C ATOM 542 C ALA A 38 1.765 -7.529 7.692 1.00 0.00 C ATOM 543 O ALA A 38 2.543 -7.949 6.835 1.00 0.00 O ATOM 544 CB ALA A 38 2.342 -7.824 10.107 1.00 0.00 C ATOM 0 H ALA A 38 0.896 -5.821 10.144 1.00 0.00 H new ATOM 0 HA ALA A 38 3.292 -6.478 8.744 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.965 -8.675 9.831 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.767 -7.332 10.982 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.336 -8.172 10.340 1.00 0.00 H new ATOM 550 N LEU A 39 0.445 -7.643 7.587 1.00 0.00 N ATOM 551 CA LEU A 39 -0.179 -8.282 6.434 1.00 0.00 C ATOM 552 C LEU A 39 -0.077 -7.395 5.198 1.00 0.00 C ATOM 553 O LEU A 39 0.555 -7.762 4.207 1.00 0.00 O ATOM 554 CB LEU A 39 -1.646 -8.595 6.732 1.00 0.00 C ATOM 555 CG LEU A 39 -2.420 -9.306 5.620 1.00 0.00 C ATOM 556 CD1 LEU A 39 -1.659 -10.533 5.141 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.811 -9.693 6.102 1.00 0.00 C ATOM 0 H LEU A 39 -0.214 -7.301 8.287 1.00 0.00 H new ATOM 0 HA LEU A 39 0.351 -9.213 6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.690 -9.212 7.630 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.157 -7.660 6.962 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.526 -8.619 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.224 -11.026 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.685 -10.230 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.521 -11.223 5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.347 -10.198 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.726 -10.363 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.357 -8.796 6.395 1.00 0.00 H new ATOM 569 N PHE A 40 -0.701 -6.223 5.264 1.00 0.00 N ATOM 570 CA PHE A 40 -0.680 -5.282 4.150 1.00 0.00 C ATOM 571 C PHE A 40 0.720 -5.179 3.552 1.00 0.00 C ATOM 572 O PHE A 40 0.881 -5.063 2.337 1.00 0.00 O ATOM 573 CB PHE A 40 -1.152 -3.902 4.612 1.00 0.00 C ATOM 574 CG PHE A 40 -1.029 -2.842 3.555 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.214 -2.353 3.186 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.157 -2.334 2.930 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.329 -1.377 2.215 1.00 0.00 C ATOM 578 CE2 PHE A 40 -2.047 -1.358 1.958 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.802 -0.880 1.599 1.00 0.00 C ATOM 0 H PHE A 40 -1.227 -5.903 6.077 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.358 -5.652 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.193 -3.970 4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.573 -3.602 5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.103 -2.739 3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.133 -2.705 3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.304 -1.003 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.934 -0.969 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.713 -0.119 0.838 1.00 0.00 H new ATOM 589 N ALA A 41 1.730 -5.222 4.414 1.00 0.00 N ATOM 590 CA ALA A 41 3.116 -5.135 3.972 1.00 0.00 C ATOM 591 C ALA A 41 3.615 -6.482 3.459 1.00 0.00 C ATOM 592 O ALA A 41 4.533 -6.546 2.642 1.00 0.00 O ATOM 593 CB ALA A 41 4.002 -4.640 5.106 1.00 0.00 C ATOM 0 H ALA A 41 1.614 -5.317 5.423 1.00 0.00 H new ATOM 0 HA ALA A 41 3.164 -4.422 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.034 -4.580 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.668 -3.653 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.939 -5.332 5.945 1.00 0.00 H new ATOM 599 N LYS A 42 3.004 -7.558 3.945 1.00 0.00 N ATOM 600 CA LYS A 42 3.384 -8.904 3.535 1.00 0.00 C ATOM 601 C LYS A 42 2.732 -9.274 2.207 1.00 0.00 C ATOM 602 O LYS A 42 3.259 -10.090 1.451 1.00 0.00 O ATOM 603 CB LYS A 42 2.986 -9.918 4.611 1.00 0.00 C ATOM 604 CG LYS A 42 3.383 -11.346 4.278 1.00 0.00 C ATOM 605 CD LYS A 42 2.302 -12.053 3.478 1.00 0.00 C ATOM 606 CE LYS A 42 2.885 -13.152 2.603 1.00 0.00 C ATOM 607 NZ LYS A 42 3.263 -12.645 1.255 1.00 0.00 N ATOM 0 H LYS A 42 2.243 -7.523 4.624 1.00 0.00 H new ATOM 0 HA LYS A 42 4.466 -8.925 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.448 -9.632 5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.907 -9.875 4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.314 -11.343 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.573 -11.896 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.565 -12.480 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.778 -11.329 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.762 -13.577 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.157 -13.957 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.086 -13.175 0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.464 -12.770 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.503 -11.635 1.319 1.00 0.00 H new ATOM 621 N VAL A 43 1.583 -8.666 1.927 1.00 0.00 N ATOM 622 CA VAL A 43 0.860 -8.930 0.689 1.00 0.00 C ATOM 623 C VAL A 43 1.083 -7.814 -0.325 1.00 0.00 C ATOM 624 O VAL A 43 0.746 -7.952 -1.501 1.00 0.00 O ATOM 625 CB VAL A 43 -0.651 -9.084 0.943 1.00 0.00 C ATOM 626 CG1 VAL A 43 -0.934 -10.356 1.728 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.195 -7.865 1.672 1.00 0.00 C ATOM 0 H VAL A 43 1.133 -7.987 2.541 1.00 0.00 H new ATOM 0 HA VAL A 43 1.250 -9.865 0.288 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.158 -9.160 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.007 -10.448 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.581 -11.219 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.417 -10.314 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.264 -7.991 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.685 -7.755 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.027 -6.974 1.067 1.00 0.00 H new ATOM 637 N ALA A 44 1.654 -6.706 0.138 1.00 0.00 N ATOM 638 CA ALA A 44 1.925 -5.566 -0.730 1.00 0.00 C ATOM 639 C ALA A 44 3.397 -5.512 -1.122 1.00 0.00 C ATOM 640 O ALA A 44 3.736 -5.553 -2.304 1.00 0.00 O ATOM 641 CB ALA A 44 1.511 -4.272 -0.045 1.00 0.00 C ATOM 0 H ALA A 44 1.938 -6.574 1.109 1.00 0.00 H new ATOM 0 HA ALA A 44 1.338 -5.686 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.719 -3.429 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.445 -4.304 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.073 -4.155 0.882 1.00 0.00 H new ATOM 647 N ALA A 45 4.268 -5.420 -0.122 1.00 0.00 N ATOM 648 CA ALA A 45 5.705 -5.362 -0.363 1.00 0.00 C ATOM 649 C ALA A 45 6.387 -6.656 0.068 1.00 0.00 C ATOM 650 O ALA A 45 7.582 -6.842 -0.153 1.00 0.00 O ATOM 651 CB ALA A 45 6.314 -4.173 0.365 1.00 0.00 C ATOM 0 H ALA A 45 4.004 -5.384 0.862 1.00 0.00 H new ATOM 0 HA ALA A 45 5.864 -5.238 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.387 -4.142 0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.855 -3.252 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.136 -4.272 1.436 1.00 0.00 H new ATOM 657 N ASN A 46 5.618 -7.547 0.686 1.00 0.00 N ATOM 658 CA ASN A 46 6.149 -8.823 1.150 1.00 0.00 C ATOM 659 C ASN A 46 7.228 -8.611 2.209 1.00 0.00 C ATOM 660 O ASN A 46 8.141 -9.424 2.352 1.00 0.00 O ATOM 661 CB ASN A 46 6.721 -9.619 -0.025 1.00 0.00 C ATOM 662 CG ASN A 46 6.913 -11.086 0.309 1.00 0.00 C ATOM 663 OD1 ASN A 46 7.120 -11.449 1.467 1.00 0.00 O ATOM 664 ND2 ASN A 46 6.844 -11.937 -0.708 1.00 0.00 N ATOM 0 H ASN A 46 4.626 -7.409 0.877 1.00 0.00 H new ATOM 0 HA ASN A 46 5.331 -9.387 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.053 -9.529 -0.881 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.678 -9.188 -0.321 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.965 -12.937 -0.546 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.670 -11.591 -1.652 1.00 0.00 H new ATOM 671 N LYS A 47 7.115 -7.513 2.948 1.00 0.00 N ATOM 672 CA LYS A 47 8.078 -7.193 3.995 1.00 0.00 C ATOM 673 C LYS A 47 7.505 -7.503 5.375 1.00 0.00 C ATOM 674 O LYS A 47 6.376 -7.977 5.496 1.00 0.00 O ATOM 675 CB LYS A 47 8.477 -5.718 3.916 1.00 0.00 C ATOM 676 CG LYS A 47 9.626 -5.449 2.960 1.00 0.00 C ATOM 677 CD LYS A 47 10.970 -5.546 3.662 1.00 0.00 C ATOM 678 CE LYS A 47 12.001 -4.630 3.021 1.00 0.00 C ATOM 679 NZ LYS A 47 13.262 -4.574 3.812 1.00 0.00 N ATOM 0 H LYS A 47 6.366 -6.829 2.841 1.00 0.00 H new ATOM 0 HA LYS A 47 8.963 -7.811 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.612 -5.132 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.755 -5.372 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.591 -6.164 2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.513 -4.456 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.852 -5.284 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.326 -6.576 3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.220 -4.980 2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.586 -3.626 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.063 -4.384 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.195 -3.815 4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.410 -5.484 4.294 1.00 0.00 H new ATOM 693 N SER A 48 8.291 -7.230 6.412 1.00 0.00 N ATOM 694 CA SER A 48 7.862 -7.482 7.782 1.00 0.00 C ATOM 695 C SER A 48 7.242 -6.230 8.396 1.00 0.00 C ATOM 696 O SER A 48 7.634 -5.109 8.074 1.00 0.00 O ATOM 697 CB SER A 48 9.046 -7.947 8.632 1.00 0.00 C ATOM 698 OG SER A 48 8.618 -8.804 9.677 1.00 0.00 O ATOM 0 H SER A 48 9.228 -6.835 6.329 1.00 0.00 H new ATOM 0 HA SER A 48 7.107 -8.268 7.761 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.767 -8.468 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.557 -7.082 9.053 1.00 0.00 H new ATOM 0 HG SER A 48 9.393 -9.089 10.205 1.00 0.00 H new ATOM 704 N GLN A 49 6.271 -6.432 9.281 1.00 0.00 N ATOM 705 CA GLN A 49 5.596 -5.320 9.940 1.00 0.00 C ATOM 706 C GLN A 49 6.579 -4.199 10.261 1.00 0.00 C ATOM 707 O GLN A 49 6.372 -3.049 9.876 1.00 0.00 O ATOM 708 CB GLN A 49 4.913 -5.798 11.222 1.00 0.00 C ATOM 709 CG GLN A 49 3.688 -4.980 11.600 1.00 0.00 C ATOM 710 CD GLN A 49 2.844 -5.652 12.665 1.00 0.00 C ATOM 711 OE1 GLN A 49 3.149 -6.760 13.108 1.00 0.00 O ATOM 712 NE2 GLN A 49 1.775 -4.984 13.083 1.00 0.00 N ATOM 0 H GLN A 49 5.934 -7.354 9.558 1.00 0.00 H new ATOM 0 HA GLN A 49 4.840 -4.931 9.257 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.620 -6.841 11.101 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.631 -5.762 12.041 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.006 -4.001 11.958 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.079 -4.812 10.711 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.559 -4.068 12.689 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.170 -5.387 13.798 1.00 0.00 H new ATOM 721 N GLY A 50 7.650 -4.543 10.970 1.00 0.00 N ATOM 722 CA GLY A 50 8.649 -3.554 11.331 1.00 0.00 C ATOM 723 C GLY A 50 8.978 -2.616 10.186 1.00 0.00 C ATOM 724 O GLY A 50 9.158 -1.416 10.390 1.00 0.00 O ATOM 0 H GLY A 50 7.844 -5.488 11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.290 -2.973 12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.558 -4.062 11.653 1.00 0.00 H new ATOM 728 N TRP A 51 9.058 -3.165 8.979 1.00 0.00 N ATOM 729 CA TRP A 51 9.369 -2.369 7.797 1.00 0.00 C ATOM 730 C TRP A 51 8.201 -1.459 7.431 1.00 0.00 C ATOM 731 O TRP A 51 8.398 -0.352 6.929 1.00 0.00 O ATOM 732 CB TRP A 51 9.710 -3.281 6.618 1.00 0.00 C ATOM 733 CG TRP A 51 10.014 -2.532 5.356 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.244 -2.145 4.908 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.069 -2.078 4.381 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.122 -1.478 3.713 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.797 -1.424 3.368 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.679 -2.161 4.264 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.181 -0.857 2.255 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.068 -1.598 3.159 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.818 -0.954 2.166 1.00 0.00 C ATOM 0 H TRP A 51 8.912 -4.157 8.793 1.00 0.00 H new ATOM 0 HA TRP A 51 10.233 -1.745 8.026 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.569 -3.898 6.882 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.875 -3.958 6.438 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.177 -2.335 5.418 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.892 -1.087 3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.092 -2.656 5.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.758 -0.359 1.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 5.994 -1.656 3.059 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.311 -0.526 1.314 1.00 0.00 H new ATOM 752 N LEU A 52 6.986 -1.932 7.684 1.00 0.00 N ATOM 753 CA LEU A 52 5.786 -1.161 7.381 1.00 0.00 C ATOM 754 C LEU A 52 5.523 -0.116 8.461 1.00 0.00 C ATOM 755 O LEU A 52 5.477 1.082 8.181 1.00 0.00 O ATOM 756 CB LEU A 52 4.578 -2.090 7.249 1.00 0.00 C ATOM 757 CG LEU A 52 3.329 -1.481 6.609 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.804 -0.331 7.455 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.630 -1.011 5.194 1.00 0.00 C ATOM 0 H LEU A 52 6.806 -2.846 8.099 1.00 0.00 H new ATOM 0 HA LEU A 52 5.945 -0.646 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.876 -2.959 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.313 -2.452 8.242 1.00 0.00 H new ATOM 0 HG LEU A 52 2.558 -2.250 6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.915 0.090 6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.549 -0.698 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.571 0.439 7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.730 -0.581 4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.417 -0.257 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.959 -1.858 4.592 1.00 0.00 H new ATOM 771 N CYS A 53 5.352 -0.578 9.694 1.00 0.00 N ATOM 772 CA CYS A 53 5.095 0.316 10.817 1.00 0.00 C ATOM 773 C CYS A 53 5.969 1.563 10.730 1.00 0.00 C ATOM 774 O CYS A 53 5.481 2.685 10.864 1.00 0.00 O ATOM 775 CB CYS A 53 5.348 -0.407 12.141 1.00 0.00 C ATOM 776 SG CYS A 53 4.380 0.232 13.528 1.00 0.00 S ATOM 0 H CYS A 53 5.387 -1.567 9.942 1.00 0.00 H new ATOM 0 HA CYS A 53 4.050 0.622 10.773 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.124 -1.466 12.013 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.407 -0.333 12.386 1.00 0.00 H new ATOM 0 HG CYS A 53 4.662 -0.444 14.602 1.00 0.00 H new ATOM 782 N GLU A 54 7.263 1.358 10.506 1.00 0.00 N ATOM 783 CA GLU A 54 8.205 2.467 10.404 1.00 0.00 C ATOM 784 C GLU A 54 7.761 3.461 9.334 1.00 0.00 C ATOM 785 O GLU A 54 7.635 4.658 9.597 1.00 0.00 O ATOM 786 CB GLU A 54 9.607 1.946 10.081 1.00 0.00 C ATOM 787 CG GLU A 54 10.172 1.020 11.145 1.00 0.00 C ATOM 788 CD GLU A 54 11.216 0.068 10.595 1.00 0.00 C ATOM 789 OE1 GLU A 54 11.192 -0.198 9.375 1.00 0.00 O ATOM 790 OE2 GLU A 54 12.058 -0.410 11.384 1.00 0.00 O ATOM 0 H GLU A 54 7.683 0.435 10.392 1.00 0.00 H new ATOM 0 HA GLU A 54 8.228 2.980 11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.578 1.417 9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.280 2.794 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.614 1.617 11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.360 0.445 11.590 1.00 0.00 H new ATOM 797 N LEU A 55 7.526 2.957 8.128 1.00 0.00 N ATOM 798 CA LEU A 55 7.097 3.799 7.017 1.00 0.00 C ATOM 799 C LEU A 55 6.024 4.787 7.465 1.00 0.00 C ATOM 800 O LEU A 55 6.028 5.950 7.061 1.00 0.00 O ATOM 801 CB LEU A 55 6.565 2.936 5.872 1.00 0.00 C ATOM 802 CG LEU A 55 7.591 2.503 4.825 1.00 0.00 C ATOM 803 CD1 LEU A 55 8.927 2.192 5.483 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.084 1.296 4.048 1.00 0.00 C ATOM 0 H LEU A 55 7.625 1.969 7.894 1.00 0.00 H new ATOM 0 HA LEU A 55 7.961 4.363 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.111 2.041 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.771 3.487 5.367 1.00 0.00 H new ATOM 0 HG LEU A 55 7.736 3.326 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.645 1.886 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.297 3.081 5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.798 1.386 6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.827 1.002 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.909 0.468 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.152 1.553 3.545 1.00 0.00 H new ATOM 816 N LEU A 56 5.108 4.316 8.304 1.00 0.00 N ATOM 817 CA LEU A 56 4.030 5.159 8.810 1.00 0.00 C ATOM 818 C LEU A 56 4.523 6.052 9.944 1.00 0.00 C ATOM 819 O LEU A 56 3.948 7.108 10.211 1.00 0.00 O ATOM 820 CB LEU A 56 2.866 4.293 9.297 1.00 0.00 C ATOM 821 CG LEU A 56 2.471 3.128 8.389 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.305 2.357 8.988 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.120 3.633 6.997 1.00 0.00 C ATOM 0 H LEU A 56 5.090 3.356 8.648 1.00 0.00 H new ATOM 0 HA LEU A 56 3.686 5.796 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.123 3.892 10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.995 4.934 9.433 1.00 0.00 H new ATOM 0 HG LEU A 56 3.322 2.452 8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.037 1.532 8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.592 1.964 9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.449 3.022 9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.841 2.791 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.284 4.330 7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.983 4.141 6.566 1.00 0.00 H new ATOM 835 N ARG A 57 5.592 5.622 10.607 1.00 0.00 N ATOM 836 CA ARG A 57 6.163 6.384 11.711 1.00 0.00 C ATOM 837 C ARG A 57 7.005 7.546 11.192 1.00 0.00 C ATOM 838 O ARG A 57 6.747 8.705 11.518 1.00 0.00 O ATOM 839 CB ARG A 57 7.019 5.476 12.596 1.00 0.00 C ATOM 840 CG ARG A 57 7.900 6.234 13.575 1.00 0.00 C ATOM 841 CD ARG A 57 8.733 5.287 14.424 1.00 0.00 C ATOM 842 NE ARG A 57 9.016 5.841 15.745 1.00 0.00 N ATOM 843 CZ ARG A 57 9.911 6.798 15.964 1.00 0.00 C ATOM 844 NH1 ARG A 57 10.606 7.304 14.955 1.00 0.00 N ATOM 845 NH2 ARG A 57 10.112 7.250 17.195 1.00 0.00 N ATOM 0 H ARG A 57 6.080 4.751 10.399 1.00 0.00 H new ATOM 0 HA ARG A 57 5.342 6.789 12.303 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.365 4.805 13.153 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.649 4.853 11.961 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.559 6.908 13.027 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.278 6.853 14.222 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.205 4.340 14.534 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.671 5.072 13.913 1.00 0.00 H new ATOM 0 HE ARG A 57 8.498 5.473 16.543 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.454 6.959 14.007 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.292 8.039 15.126 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.579 6.863 17.974 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.799 7.985 17.363 1.00 0.00 H new ATOM 859 N TRP A 58 8.010 7.228 10.385 1.00 0.00 N ATOM 860 CA TRP A 58 8.889 8.245 9.822 1.00 0.00 C ATOM 861 C TRP A 58 8.216 8.963 8.657 1.00 0.00 C ATOM 862 O TRP A 58 8.297 10.185 8.537 1.00 0.00 O ATOM 863 CB TRP A 58 10.203 7.614 9.357 1.00 0.00 C ATOM 864 CG TRP A 58 10.907 6.846 10.435 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.793 5.511 10.699 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.832 7.370 11.395 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.591 5.173 11.765 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.240 6.295 12.209 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.356 8.640 11.644 1.00 0.00 C ATOM 870 CZ2 TRP A 58 13.146 6.455 13.254 1.00 0.00 C ATOM 871 CZ3 TRP A 58 13.255 8.798 12.682 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.644 7.710 13.476 1.00 0.00 C ATOM 0 H TRP A 58 8.236 6.273 10.106 1.00 0.00 H new ATOM 0 HA TRP A 58 9.101 8.977 10.602 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.001 6.947 8.519 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.864 8.398 8.989 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.168 4.822 10.150 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.685 4.238 12.162 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.064 9.484 11.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.445 5.618 13.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.665 9.776 12.885 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.350 7.865 14.278 1.00 0.00 H new ATOM 883 N LYS A 59 7.551 8.195 7.800 1.00 0.00 N ATOM 884 CA LYS A 59 6.862 8.758 6.645 1.00 0.00 C ATOM 885 C LYS A 59 7.820 9.574 5.783 1.00 0.00 C ATOM 886 O LYS A 59 7.458 10.632 5.270 1.00 0.00 O ATOM 887 CB LYS A 59 5.694 9.636 7.099 1.00 0.00 C ATOM 888 CG LYS A 59 4.547 8.852 7.714 1.00 0.00 C ATOM 889 CD LYS A 59 3.294 9.703 7.840 1.00 0.00 C ATOM 890 CE LYS A 59 2.047 8.843 7.973 1.00 0.00 C ATOM 891 NZ LYS A 59 0.807 9.667 8.013 1.00 0.00 N ATOM 0 H LYS A 59 7.475 7.181 7.884 1.00 0.00 H new ATOM 0 HA LYS A 59 6.477 7.932 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.057 10.362 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.321 10.200 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.333 7.977 7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.841 8.487 8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.382 10.355 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.201 10.347 6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.994 8.148 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.114 8.244 8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.079 9.172 8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.014 10.585 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.460 9.820 7.044 1.00 0.00 H new ATOM 905 N GLU A 60 9.042 9.074 5.629 1.00 0.00 N ATOM 906 CA GLU A 60 10.051 9.758 4.828 1.00 0.00 C ATOM 907 C GLU A 60 9.489 10.151 3.465 1.00 0.00 C ATOM 908 O GLU A 60 8.652 9.448 2.901 1.00 0.00 O ATOM 909 CB GLU A 60 11.281 8.866 4.647 1.00 0.00 C ATOM 910 CG GLU A 60 12.583 9.640 4.535 1.00 0.00 C ATOM 911 CD GLU A 60 12.855 10.123 3.124 1.00 0.00 C ATOM 912 OE1 GLU A 60 13.156 9.279 2.255 1.00 0.00 O ATOM 913 OE2 GLU A 60 12.766 11.347 2.889 1.00 0.00 O ATOM 0 H GLU A 60 9.357 8.199 6.048 1.00 0.00 H new ATOM 0 HA GLU A 60 10.344 10.665 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.348 8.179 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.151 8.259 3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.551 10.497 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.407 9.007 4.863 1.00 0.00 H new ATOM 920 N ASN A 61 9.957 11.280 2.943 1.00 0.00 N ATOM 921 CA ASN A 61 9.501 11.769 1.646 1.00 0.00 C ATOM 922 C ASN A 61 9.973 10.851 0.523 1.00 0.00 C ATOM 923 O ASN A 61 11.170 10.683 0.286 1.00 0.00 O ATOM 924 CB ASN A 61 10.010 13.191 1.406 1.00 0.00 C ATOM 925 CG ASN A 61 9.870 13.619 -0.042 1.00 0.00 C ATOM 926 OD1 ASN A 61 9.091 13.040 -0.799 1.00 0.00 O ATOM 927 ND2 ASN A 61 10.628 14.636 -0.434 1.00 0.00 N ATOM 0 H ASN A 61 10.651 11.873 3.397 1.00 0.00 H new ATOM 0 HA ASN A 61 8.411 11.777 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.458 13.884 2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.058 13.254 1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.579 14.967 -1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.260 15.086 0.228 1.00 0.00 H new ATOM 934 N PRO A 62 9.012 10.243 -0.188 1.00 0.00 N ATOM 935 CA PRO A 62 9.305 9.333 -1.300 1.00 0.00 C ATOM 936 C PRO A 62 9.875 10.063 -2.511 1.00 0.00 C ATOM 937 O PRO A 62 9.458 11.176 -2.830 1.00 0.00 O ATOM 938 CB PRO A 62 7.938 8.730 -1.634 1.00 0.00 C ATOM 939 CG PRO A 62 6.952 9.746 -1.171 1.00 0.00 C ATOM 940 CD PRO A 62 7.565 10.397 0.038 1.00 0.00 C ATOM 0 HA PRO A 62 10.059 8.593 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.839 8.541 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.791 7.776 -1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.753 10.481 -1.951 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.999 9.280 -0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.280 11.446 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.248 9.910 0.960 1.00 0.00 H new ATOM 948 N SER A 63 10.831 9.429 -3.183 1.00 0.00 N ATOM 949 CA SER A 63 11.461 10.020 -4.358 1.00 0.00 C ATOM 950 C SER A 63 12.109 8.945 -5.225 1.00 0.00 C ATOM 951 O SER A 63 12.444 7.855 -4.760 1.00 0.00 O ATOM 952 CB SER A 63 12.508 11.052 -3.936 1.00 0.00 C ATOM 953 OG SER A 63 11.932 12.341 -3.812 1.00 0.00 O ATOM 0 H SER A 63 11.186 8.506 -2.934 1.00 0.00 H new ATOM 0 HA SER A 63 10.688 10.517 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.953 10.756 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.313 11.079 -4.670 1.00 0.00 H new ATOM 0 HG SER A 63 11.027 12.261 -3.444 1.00 0.00 H new ATOM 959 N PRO A 64 12.292 9.258 -6.516 1.00 0.00 N ATOM 960 CA PRO A 64 12.902 8.333 -7.476 1.00 0.00 C ATOM 961 C PRO A 64 14.390 8.125 -7.215 1.00 0.00 C ATOM 962 O PRO A 64 15.053 7.370 -7.924 1.00 0.00 O ATOM 963 CB PRO A 64 12.687 9.028 -8.823 1.00 0.00 C ATOM 964 CG PRO A 64 12.574 10.475 -8.489 1.00 0.00 C ATOM 965 CD PRO A 64 11.916 10.538 -7.139 1.00 0.00 C ATOM 0 HA PRO A 64 12.462 7.337 -7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.520 8.842 -9.502 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.786 8.664 -9.317 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.556 10.948 -8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.982 11.003 -9.237 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.273 11.388 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.834 10.641 -7.224 1.00 0.00 H new ATOM 973 N GLU A 65 14.907 8.800 -6.194 1.00 0.00 N ATOM 974 CA GLU A 65 16.317 8.689 -5.841 1.00 0.00 C ATOM 975 C GLU A 65 16.550 7.516 -4.893 1.00 0.00 C ATOM 976 O GLU A 65 17.517 6.770 -5.037 1.00 0.00 O ATOM 977 CB GLU A 65 16.808 9.986 -5.194 1.00 0.00 C ATOM 978 CG GLU A 65 17.166 11.069 -6.198 1.00 0.00 C ATOM 979 CD GLU A 65 18.569 10.910 -6.752 1.00 0.00 C ATOM 980 OE1 GLU A 65 18.792 9.964 -7.537 1.00 0.00 O ATOM 981 OE2 GLU A 65 19.443 11.729 -6.401 1.00 0.00 O ATOM 0 H GLU A 65 14.371 9.429 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 65 16.881 8.512 -6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.035 10.364 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.682 9.768 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.450 11.048 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.076 12.045 -5.721 1.00 0.00 H new ATOM 988 N ASN A 66 15.655 7.360 -3.922 1.00 0.00 N ATOM 989 CA ASN A 66 15.762 6.279 -2.950 1.00 0.00 C ATOM 990 C ASN A 66 15.288 4.959 -3.549 1.00 0.00 C ATOM 991 O ASN A 66 14.095 4.766 -3.786 1.00 0.00 O ATOM 992 CB ASN A 66 14.945 6.608 -1.699 1.00 0.00 C ATOM 993 CG ASN A 66 15.378 5.794 -0.495 1.00 0.00 C ATOM 994 OD1 ASN A 66 16.076 4.788 -0.629 1.00 0.00 O ATOM 995 ND2 ASN A 66 14.965 6.226 0.691 1.00 0.00 N ATOM 0 H ASN A 66 14.848 7.969 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 66 16.811 6.175 -2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.045 7.669 -1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.890 6.423 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.225 5.719 1.537 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.388 7.065 0.756 1.00 0.00 H new ATOM 1002 N ARG A 67 16.229 4.053 -3.791 1.00 0.00 N ATOM 1003 CA ARG A 67 15.908 2.751 -4.363 1.00 0.00 C ATOM 1004 C ARG A 67 15.160 1.883 -3.355 1.00 0.00 C ATOM 1005 O ARG A 67 13.984 1.569 -3.540 1.00 0.00 O ATOM 1006 CB ARG A 67 17.184 2.040 -4.816 1.00 0.00 C ATOM 1007 CG ARG A 67 17.745 2.570 -6.126 1.00 0.00 C ATOM 1008 CD ARG A 67 17.124 1.868 -7.323 1.00 0.00 C ATOM 1009 NE ARG A 67 17.114 2.716 -8.511 1.00 0.00 N ATOM 1010 CZ ARG A 67 16.259 2.564 -9.516 1.00 0.00 C ATOM 1011 NH1 ARG A 67 15.349 1.600 -9.476 1.00 0.00 N ATOM 1012 NH2 ARG A 67 16.312 3.376 -10.564 1.00 0.00 N ATOM 0 H ARG A 67 17.221 4.197 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 67 15.263 2.912 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.942 2.141 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.978 0.975 -4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.560 3.642 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.826 2.432 -6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.679 0.954 -7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.103 1.572 -7.080 1.00 0.00 H new ATOM 0 HE ARG A 67 17.802 3.467 -8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.305 0.974 -8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.693 1.485 -10.249 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.010 4.119 -10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.654 3.258 -11.335 1.00 0.00 H new ATOM 1026 N THR A 68 15.851 1.499 -2.286 1.00 0.00 N ATOM 1027 CA THR A 68 15.254 0.667 -1.249 1.00 0.00 C ATOM 1028 C THR A 68 13.859 1.161 -0.883 1.00 0.00 C ATOM 1029 O THR A 68 12.984 0.372 -0.523 1.00 0.00 O ATOM 1030 CB THR A 68 16.126 0.639 0.021 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.436 0.155 -0.295 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.498 -0.242 1.090 1.00 0.00 C ATOM 0 H THR A 68 16.825 1.751 -2.116 1.00 0.00 H new ATOM 0 HA THR A 68 15.184 -0.342 -1.655 1.00 0.00 H new ATOM 0 HB THR A 68 16.198 1.656 0.408 1.00 0.00 H new ATOM 0 HG1 THR A 68 17.985 0.142 0.517 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.132 -0.246 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.513 0.147 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.398 -1.259 0.711 1.00 0.00 H new ATOM 1040 N LEU A 69 13.657 2.470 -0.977 1.00 0.00 N ATOM 1041 CA LEU A 69 12.366 3.070 -0.656 1.00 0.00 C ATOM 1042 C LEU A 69 11.458 3.095 -1.881 1.00 0.00 C ATOM 1043 O LEU A 69 10.443 2.400 -1.927 1.00 0.00 O ATOM 1044 CB LEU A 69 12.561 4.490 -0.121 1.00 0.00 C ATOM 1045 CG LEU A 69 11.504 4.986 0.866 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.392 4.037 2.049 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.835 6.394 1.339 1.00 0.00 C ATOM 0 H LEU A 69 14.370 3.137 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 69 11.890 2.461 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.536 4.543 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.588 5.175 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 69 10.541 5.013 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.635 4.406 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.108 3.046 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.353 3.978 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.072 6.731 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.807 6.393 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.863 7.068 0.483 1.00 0.00 H new ATOM 1059 N TRP A 70 11.830 3.899 -2.870 1.00 0.00 N ATOM 1060 CA TRP A 70 11.050 4.012 -4.097 1.00 0.00 C ATOM 1061 C TRP A 70 10.614 2.639 -4.594 1.00 0.00 C ATOM 1062 O TRP A 70 9.444 2.426 -4.911 1.00 0.00 O ATOM 1063 CB TRP A 70 11.863 4.726 -5.179 1.00 0.00 C ATOM 1064 CG TRP A 70 11.051 5.098 -6.383 1.00 0.00 C ATOM 1065 CD1 TRP A 70 10.966 4.409 -7.559 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.213 6.249 -6.529 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.125 5.062 -8.427 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.649 6.194 -7.819 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.882 7.321 -5.695 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.775 7.169 -8.291 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 9.014 8.288 -6.166 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.469 8.207 -7.454 1.00 0.00 C ATOM 0 H TRP A 70 12.667 4.482 -2.847 1.00 0.00 H new ATOM 0 HA TRP A 70 10.157 4.598 -3.877 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.306 5.627 -4.755 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.686 4.082 -5.489 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.484 3.486 -7.775 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.893 4.754 -9.371 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.297 7.392 -4.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.353 7.108 -9.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.751 9.120 -5.530 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.794 8.979 -7.793 1.00 0.00 H new ATOM 1083 N GLU A 71 11.563 1.709 -4.660 1.00 0.00 N ATOM 1084 CA GLU A 71 11.275 0.356 -5.120 1.00 0.00 C ATOM 1085 C GLU A 71 10.063 -0.219 -4.393 1.00 0.00 C ATOM 1086 O GLU A 71 9.009 -0.432 -4.992 1.00 0.00 O ATOM 1087 CB GLU A 71 12.489 -0.549 -4.905 1.00 0.00 C ATOM 1088 CG GLU A 71 13.637 -0.265 -5.860 1.00 0.00 C ATOM 1089 CD GLU A 71 14.455 -1.502 -6.173 1.00 0.00 C ATOM 1090 OE1 GLU A 71 13.886 -2.467 -6.725 1.00 0.00 O ATOM 1091 OE2 GLU A 71 15.666 -1.505 -5.866 1.00 0.00 O ATOM 0 H GLU A 71 12.537 1.868 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 71 11.050 0.402 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.842 -0.432 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.181 -1.588 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.240 0.147 -6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.286 0.495 -5.426 1.00 0.00 H new ATOM 1098 N ASN A 72 10.222 -0.470 -3.097 1.00 0.00 N ATOM 1099 CA ASN A 72 9.142 -1.022 -2.287 1.00 0.00 C ATOM 1100 C ASN A 72 7.869 -0.195 -2.443 1.00 0.00 C ATOM 1101 O ASN A 72 6.804 -0.729 -2.757 1.00 0.00 O ATOM 1102 CB ASN A 72 9.555 -1.071 -0.815 1.00 0.00 C ATOM 1103 CG ASN A 72 10.720 -2.011 -0.572 1.00 0.00 C ATOM 1104 OD1 ASN A 72 11.608 -1.629 0.338 1.00 0.00 O flip ATOM 1105 ND2 ASN A 72 10.820 -3.067 -1.197 1.00 0.00 N flip ATOM 0 H ASN A 72 11.088 -0.300 -2.586 1.00 0.00 H new ATOM 0 HA ASN A 72 8.941 -2.035 -2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.825 -0.069 -0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.704 -1.388 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.113 -3.320 -1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.610 -3.689 -1.024 1.00 0.00 H new ATOM 1112 N LEU A 73 7.986 1.109 -2.220 1.00 0.00 N ATOM 1113 CA LEU A 73 6.844 2.010 -2.336 1.00 0.00 C ATOM 1114 C LEU A 73 6.205 1.905 -3.717 1.00 0.00 C ATOM 1115 O LEU A 73 5.044 2.270 -3.904 1.00 0.00 O ATOM 1116 CB LEU A 73 7.280 3.453 -2.071 1.00 0.00 C ATOM 1117 CG LEU A 73 7.462 3.840 -0.603 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.675 5.340 -0.469 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.261 3.395 0.219 1.00 0.00 C ATOM 0 H LEU A 73 8.859 1.566 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 73 6.104 1.717 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.221 3.628 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.542 4.122 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 73 8.347 3.332 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.803 5.597 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.566 5.632 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.809 5.868 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.408 3.679 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.360 3.874 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.153 2.313 0.149 1.00 0.00 H new ATOM 1131 N CYS A 74 6.970 1.403 -4.680 1.00 0.00 N ATOM 1132 CA CYS A 74 6.478 1.248 -6.045 1.00 0.00 C ATOM 1133 C CYS A 74 5.460 0.116 -6.130 1.00 0.00 C ATOM 1134 O CYS A 74 4.361 0.292 -6.659 1.00 0.00 O ATOM 1135 CB CYS A 74 7.641 0.978 -7.000 1.00 0.00 C ATOM 1136 SG CYS A 74 7.282 1.370 -8.729 1.00 0.00 S ATOM 0 H CYS A 74 7.933 1.096 -4.541 1.00 0.00 H new ATOM 0 HA CYS A 74 5.987 2.176 -6.336 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.504 1.560 -6.678 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.921 -0.073 -6.927 1.00 0.00 H new ATOM 0 HG CYS A 74 8.326 1.111 -9.459 1.00 0.00 H new ATOM 1142 N THR A 75 5.832 -1.048 -5.608 1.00 0.00 N ATOM 1143 CA THR A 75 4.953 -2.211 -5.628 1.00 0.00 C ATOM 1144 C THR A 75 3.700 -1.967 -4.794 1.00 0.00 C ATOM 1145 O THR A 75 2.595 -2.330 -5.197 1.00 0.00 O ATOM 1146 CB THR A 75 5.671 -3.467 -5.101 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.137 -4.637 -5.731 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.519 -3.584 -3.591 1.00 0.00 C ATOM 0 H THR A 75 6.737 -1.211 -5.166 1.00 0.00 H new ATOM 0 HA THR A 75 4.668 -2.374 -6.667 1.00 0.00 H new ATOM 0 HB THR A 75 6.731 -3.379 -5.338 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.600 -5.431 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.034 -4.479 -3.242 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.952 -2.706 -3.113 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.461 -3.652 -3.336 1.00 0.00 H new ATOM 1156 N ILE A 76 3.881 -1.350 -3.631 1.00 0.00 N ATOM 1157 CA ILE A 76 2.764 -1.057 -2.741 1.00 0.00 C ATOM 1158 C ILE A 76 1.791 -0.076 -3.386 1.00 0.00 C ATOM 1159 O ILE A 76 0.586 -0.128 -3.138 1.00 0.00 O ATOM 1160 CB ILE A 76 3.250 -0.475 -1.401 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.317 -1.381 -0.783 1.00 0.00 C ATOM 1162 CG2 ILE A 76 2.079 -0.298 -0.445 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.759 -0.941 0.595 1.00 0.00 C ATOM 0 H ILE A 76 4.790 -1.044 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 76 2.253 -2.001 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 76 3.694 0.503 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.929 -2.398 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.185 -1.409 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.438 0.114 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.350 0.383 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.609 -1.264 -0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.516 -1.629 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.178 0.064 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.902 -0.940 1.269 1.00 0.00 H new ATOM 1175 N ARG A 77 2.321 0.817 -4.216 1.00 0.00 N ATOM 1176 CA ARG A 77 1.499 1.810 -4.897 1.00 0.00 C ATOM 1177 C ARG A 77 0.559 1.143 -5.897 1.00 0.00 C ATOM 1178 O ARG A 77 -0.593 1.551 -6.047 1.00 0.00 O ATOM 1179 CB ARG A 77 2.385 2.829 -5.615 1.00 0.00 C ATOM 1180 CG ARG A 77 1.619 3.747 -6.554 1.00 0.00 C ATOM 1181 CD ARG A 77 0.759 4.738 -5.785 1.00 0.00 C ATOM 1182 NE ARG A 77 -0.258 5.354 -6.633 1.00 0.00 N ATOM 1183 CZ ARG A 77 -0.968 6.418 -6.275 1.00 0.00 C ATOM 1184 NH1 ARG A 77 -0.773 6.981 -5.091 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -1.876 6.920 -7.102 1.00 0.00 N ATOM 0 H ARG A 77 3.316 0.873 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 77 0.898 2.325 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.904 3.434 -4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.149 2.298 -6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.321 4.288 -7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.988 3.151 -7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.276 4.228 -4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.394 5.514 -5.359 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.433 4.945 -7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.076 6.597 -4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.320 7.798 -4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.029 6.489 -8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.421 7.737 -6.826 1.00 0.00 H new ATOM 1199 N ARG A 78 1.058 0.117 -6.578 1.00 0.00 N ATOM 1200 CA ARG A 78 0.263 -0.604 -7.564 1.00 0.00 C ATOM 1201 C ARG A 78 -0.840 -1.413 -6.887 1.00 0.00 C ATOM 1202 O ARG A 78 -1.935 -1.564 -7.429 1.00 0.00 O ATOM 1203 CB ARG A 78 1.155 -1.532 -8.390 1.00 0.00 C ATOM 1204 CG ARG A 78 1.887 -0.826 -9.520 1.00 0.00 C ATOM 1205 CD ARG A 78 3.191 -1.528 -9.865 1.00 0.00 C ATOM 1206 NE ARG A 78 3.623 -1.240 -11.230 1.00 0.00 N ATOM 1207 CZ ARG A 78 2.981 -1.670 -12.310 1.00 0.00 C ATOM 1208 NH1 ARG A 78 1.884 -2.403 -12.185 1.00 0.00 N ATOM 1209 NH2 ARG A 78 3.437 -1.367 -13.519 1.00 0.00 N ATOM 0 H ARG A 78 2.009 -0.234 -6.465 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.200 0.128 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.886 -2.000 -7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.544 -2.332 -8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.248 -0.790 -10.402 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.093 0.205 -9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.967 -1.216 -9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.067 -2.604 -9.744 1.00 0.00 H new ATOM 0 HE ARG A 78 4.464 -0.678 -11.361 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.531 -2.638 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.393 -2.732 -13.016 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.281 -0.803 -13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.943 -1.698 -14.348 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.544 -1.931 -5.700 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.509 -2.725 -4.949 1.00 0.00 C ATOM 1225 C PHE A 79 -2.771 -1.917 -4.661 1.00 0.00 C ATOM 1226 O PHE A 79 -3.887 -2.379 -4.904 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.891 -3.211 -3.637 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.643 -4.348 -3.005 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -2.926 -4.161 -2.516 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -1.067 -5.604 -2.901 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.619 -5.205 -1.933 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -1.756 -6.652 -2.319 1.00 0.00 C ATOM 1233 CZ PHE A 79 -3.034 -6.452 -1.836 1.00 0.00 C ATOM 0 H PHE A 79 0.357 -1.815 -5.237 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.782 -3.589 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.136 -3.524 -3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.849 -2.379 -2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.390 -3.188 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.068 -5.766 -3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.617 -5.046 -1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.295 -7.626 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.575 -7.270 -1.383 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.587 -0.709 -4.141 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.710 0.165 -3.818 1.00 0.00 C ATOM 1245 C LEU A 80 -4.528 0.483 -5.066 1.00 0.00 C ATOM 1246 O LEU A 80 -5.743 0.663 -4.994 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.207 1.461 -3.180 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.224 1.300 -2.020 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.611 2.642 -1.650 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.918 0.678 -0.816 1.00 0.00 C ATOM 0 H LEU A 80 -1.671 -0.312 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.352 -0.356 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.730 2.062 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.069 2.026 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.422 0.633 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.914 2.508 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.079 3.049 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.400 3.332 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.204 0.571 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.739 1.320 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.309 -0.303 -1.088 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.853 0.548 -6.209 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.518 0.842 -7.473 1.00 0.00 C ATOM 1264 C ASN A 81 -5.553 -0.228 -7.806 1.00 0.00 C ATOM 1265 O ASN A 81 -6.431 -0.019 -8.645 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.491 0.942 -8.603 1.00 0.00 C ATOM 1267 CG ASN A 81 -2.931 2.344 -8.753 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -3.658 3.330 -8.634 1.00 0.00 O ATOM 1269 ND2 ASN A 81 -1.633 2.437 -9.017 1.00 0.00 N ATOM 0 H ASN A 81 -2.847 0.401 -6.286 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.030 1.799 -7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.674 0.246 -8.411 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.956 0.637 -9.541 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.200 3.354 -9.130 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.069 1.592 -9.107 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.446 -1.373 -7.142 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.373 -2.477 -7.366 1.00 0.00 C ATOM 1278 C LEU A 82 -7.745 -2.164 -6.777 1.00 0.00 C ATOM 1279 O LEU A 82 -7.879 -1.389 -5.830 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.823 -3.765 -6.750 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.523 -4.297 -7.356 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -3.987 -5.458 -6.533 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.743 -4.721 -8.800 1.00 0.00 C ATOM 0 H LEU A 82 -4.727 -1.562 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.482 -2.614 -8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.661 -3.595 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.585 -4.540 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.783 -3.497 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.062 -5.824 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.791 -5.122 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.723 -6.262 -6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.808 -5.097 -9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.498 -5.506 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.081 -3.864 -9.383 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.789 -2.782 -7.349 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.170 -2.586 -6.895 1.00 0.00 C ATOM 1297 C PRO A 83 -10.424 -3.211 -5.527 1.00 0.00 C ATOM 1298 O PRO A 83 -9.836 -4.236 -5.185 1.00 0.00 O ATOM 1299 CB PRO A 83 -11.000 -3.295 -7.969 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.081 -4.317 -8.544 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.704 -3.718 -8.482 1.00 0.00 C ATOM 0 HA PRO A 83 -10.414 -1.530 -6.775 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.889 -3.758 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.341 -2.595 -8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.128 -5.247 -7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.357 -4.556 -9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.942 -4.480 -8.318 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.447 -3.205 -9.409 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.303 -2.585 -4.751 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.634 -3.081 -3.420 1.00 0.00 C ATOM 1311 C GLN A 84 -11.875 -4.587 -3.444 1.00 0.00 C ATOM 1312 O GLN A 84 -11.390 -5.318 -2.580 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.871 -2.363 -2.878 1.00 0.00 C ATOM 1314 CG GLN A 84 -12.901 -2.263 -1.362 1.00 0.00 C ATOM 1315 CD GLN A 84 -13.724 -1.088 -0.871 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -14.828 -0.842 -1.356 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -13.189 -0.354 0.098 1.00 0.00 N ATOM 0 H GLN A 84 -11.798 -1.735 -5.020 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.788 -2.878 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.913 -1.359 -3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.764 -2.889 -3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.309 -3.185 -0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.882 -2.169 -0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.271 -0.594 0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.697 0.449 0.469 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.628 -5.044 -4.439 1.00 0.00 N ATOM 1327 CA HIS A 85 -12.934 -6.464 -4.576 1.00 0.00 C ATOM 1328 C HIS A 85 -11.655 -7.285 -4.708 1.00 0.00 C ATOM 1329 O HIS A 85 -11.608 -8.446 -4.302 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.833 -6.699 -5.790 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.076 -7.009 -7.045 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.811 -6.067 -8.016 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.524 -8.164 -7.483 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.131 -6.630 -8.998 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -11.943 -7.902 -8.699 1.00 0.00 N ATOM 0 H HIS A 85 -13.037 -4.452 -5.162 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.460 -6.786 -3.677 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.514 -7.522 -5.574 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.446 -5.813 -5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.538 -9.115 -6.971 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.787 -6.134 -9.894 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.447 -8.580 -9.277 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.622 -6.674 -5.279 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.343 -7.350 -5.466 1.00 0.00 C ATOM 1346 C GLU A 86 -8.555 -7.394 -4.160 1.00 0.00 C ATOM 1347 O GLU A 86 -8.347 -8.462 -3.584 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.521 -6.645 -6.547 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.758 -7.191 -7.945 1.00 0.00 C ATOM 1350 CD GLU A 86 -7.947 -8.441 -8.228 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -8.222 -9.482 -7.595 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -7.038 -8.378 -9.082 1.00 0.00 O ATOM 0 H GLU A 86 -10.645 -5.713 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.545 -8.373 -5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.759 -5.581 -6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.462 -6.737 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.818 -7.414 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.505 -6.425 -8.678 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.120 -6.226 -3.699 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.353 -6.131 -2.463 1.00 0.00 C ATOM 1361 C ARG A 87 -7.928 -7.056 -1.394 1.00 0.00 C ATOM 1362 O ARG A 87 -7.192 -7.788 -0.732 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.344 -4.689 -1.953 1.00 0.00 C ATOM 1364 CG ARG A 87 -7.172 -3.655 -3.053 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.606 -2.352 -2.510 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.083 -1.193 -3.260 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.232 -0.577 -3.007 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -9.018 -1.007 -2.029 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -8.598 0.471 -3.733 1.00 0.00 N ATOM 0 H ARG A 87 -8.286 -5.333 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.330 -6.441 -2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.277 -4.494 -1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.538 -4.574 -1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.508 -4.048 -3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.134 -3.465 -3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.884 -2.245 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.517 -2.386 -2.549 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.502 -0.837 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.741 -1.813 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.900 -0.532 -1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.997 0.804 -4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.481 0.943 -3.538 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.245 -7.017 -1.231 1.00 0.00 N ATOM 1384 CA ASP A 88 -9.919 -7.852 -0.244 1.00 0.00 C ATOM 1385 C ASP A 88 -9.586 -9.325 -0.459 1.00 0.00 C ATOM 1386 O ASP A 88 -9.308 -10.055 0.493 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.433 -7.643 -0.315 1.00 0.00 C ATOM 1388 CG ASP A 88 -12.123 -7.954 0.998 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -11.682 -8.894 1.692 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -13.103 -7.257 1.333 1.00 0.00 O ATOM 0 H ASP A 88 -9.868 -6.416 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.566 -7.559 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.641 -6.611 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.848 -8.277 -1.099 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.617 -9.756 -1.716 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.318 -11.142 -2.057 1.00 0.00 C ATOM 1397 C VAL A 89 -7.913 -11.527 -1.609 1.00 0.00 C ATOM 1398 O VAL A 89 -7.711 -12.574 -0.994 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.449 -11.388 -3.571 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.137 -12.838 -3.906 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.840 -11.008 -4.055 1.00 0.00 C ATOM 0 H VAL A 89 -9.846 -9.165 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.045 -11.761 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.725 -10.757 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.235 -12.992 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.118 -13.072 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.834 -13.491 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.914 -11.189 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.584 -11.610 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.020 -9.952 -3.852 1.00 0.00 H new ATOM 1411 N ILE A 90 -6.944 -10.673 -1.922 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.557 -10.923 -1.550 1.00 0.00 C ATOM 1413 C ILE A 90 -5.426 -11.179 -0.053 1.00 0.00 C ATOM 1414 O ILE A 90 -4.822 -12.166 0.369 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.648 -9.742 -1.939 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.696 -9.509 -3.450 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.220 -10.000 -1.482 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.217 -8.136 -3.866 1.00 0.00 C ATOM 0 H ILE A 90 -7.094 -9.802 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.239 -11.811 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.011 -8.843 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.085 -10.263 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.719 -9.649 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.590 -9.157 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.201 -10.121 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.845 -10.908 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.279 -8.042 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.843 -7.375 -3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.183 -8.000 -3.549 1.00 0.00 H new ATOM 1430 N TYR A 91 -5.997 -10.285 0.746 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.945 -10.413 2.198 1.00 0.00 C ATOM 1432 C TYR A 91 -6.638 -11.692 2.657 1.00 0.00 C ATOM 1433 O TYR A 91 -6.120 -12.423 3.501 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.597 -9.199 2.862 1.00 0.00 C ATOM 1435 CG TYR A 91 -5.991 -7.880 2.440 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.633 -7.633 2.601 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.777 -6.880 1.880 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -4.076 -6.429 2.218 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.228 -5.673 1.492 1.00 0.00 C ATOM 1440 CZ TYR A 91 -4.877 -5.452 1.663 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.325 -4.252 1.279 1.00 0.00 O ATOM 0 H TYR A 91 -6.501 -9.463 0.413 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.898 -10.462 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.661 -9.193 2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.513 -9.298 3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.002 -8.396 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.835 -7.049 1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.019 -6.253 2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.853 -4.907 1.057 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.652 -3.977 1.936 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.814 -11.955 2.095 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.579 -13.145 2.447 1.00 0.00 C ATOM 1453 C GLU A 92 -7.765 -14.410 2.192 1.00 0.00 C ATOM 1454 O GLU A 92 -7.569 -15.226 3.093 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.883 -13.195 1.647 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.930 -12.205 2.128 1.00 0.00 C ATOM 1457 CD GLU A 92 -12.329 -12.566 1.669 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -12.853 -13.605 2.122 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -12.901 -11.809 0.857 1.00 0.00 O ATOM 0 H GLU A 92 -8.257 -11.360 1.395 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.815 -13.093 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.664 -12.998 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.295 -14.203 1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.909 -12.160 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.678 -11.209 1.763 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.294 -14.566 0.959 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.502 -15.732 0.586 1.00 0.00 C ATOM 1468 C GLU A 93 -5.261 -15.851 1.465 1.00 0.00 C ATOM 1469 O GLU A 93 -4.901 -16.943 1.904 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.092 -15.648 -0.886 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.269 -15.540 -1.841 1.00 0.00 C ATOM 1472 CD GLU A 93 -7.924 -16.880 -2.113 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -8.678 -17.360 -1.241 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -7.683 -17.449 -3.198 1.00 0.00 O ATOM 0 H GLU A 93 -7.447 -13.900 0.202 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.117 -16.619 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.442 -14.784 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.507 -16.531 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.009 -14.856 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.930 -15.108 -2.782 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.610 -14.719 1.717 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.408 -14.697 2.542 1.00 0.00 C ATOM 1483 C GLU A 94 -3.716 -15.158 3.964 1.00 0.00 C ATOM 1484 O GLU A 94 -3.304 -16.241 4.380 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.807 -13.290 2.569 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.553 -13.180 3.420 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.469 -14.148 2.988 1.00 0.00 C ATOM 1488 OE1 GLU A 94 -0.286 -14.327 1.765 1.00 0.00 O ATOM 1489 OE2 GLU A 94 0.197 -14.727 3.872 1.00 0.00 O ATOM 0 H GLU A 94 -4.895 -13.806 1.362 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.685 -15.385 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.572 -12.985 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.554 -12.592 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.169 -12.161 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.808 -13.368 4.463 1.00 0.00 H new