USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 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 114 MET CE :methyl 169:sc= -4.56 (180deg=-3.15!) USER MOD Set 1.2: A 118 GLN : amide:sc= -5.31! C(o=-9.9!,f=-16!) USER MOD Set 2.1: A 98 ASN : amide:sc= 0.3 X(o=0.63,f=0.68!) USER MOD Set 2.2: A 100 THR OG1 : rot 160:sc= 0.326 USER MOD Set 3.1: A 55 CYS SG : rot 49:sc= -0.464 USER MOD Set 3.2: A 84 GLN : amide:sc= 0.212 K(o=-0.25,f=-1.6) USER MOD Set 4.1: A 49 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0815) USER MOD Set 4.2: A 81 GLN :FLIP amide:sc= -4.9! C(o=-5.8!,f=-4.9!) USER MOD Single : A 20 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 27 THR OG1 : rot -88:sc= 0.956 USER MOD Single : A 28 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 29 GLN : amide:sc= -2.91! C(o=-2.9!,f=-2.9!) USER MOD Single : A 30 CYS SG : rot 2:sc= 0.407 USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= 0.0434 (180deg=0.00549) USER MOD Single : A 38 GLN : amide:sc= -6.18! C(o=-6.2!,f=-12!) USER MOD Single : A 43 ASN : amide:sc= -2.99 K(o=-3,f=-4.3!) USER MOD Single : A 45 GLN : amide:sc= -3.88 K(o=-3.9,f=-6.4!) USER MOD Single : A 46 ASN : amide:sc= -0.0551 K(o=-0.055,f=-0.76) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 59 ASN : amide:sc= -6.56! C(o=-6.6!,f=-11!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -3.55! C(o=-3.5!,f=-6.6!) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.122) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 75 SER OG : rot -130:sc= -0.0776 USER MOD Single : A 76 THR OG1 : rot 69:sc= 1.14 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -130:sc= -8.49! (180deg=-12.9!) USER MOD Single : A 86 SER OG : rot -71:sc= 0.709 USER MOD Single : A 87 GLN : amide:sc= -0.428 K(o=-0.43,f=-5.6!) USER MOD Single : A 90 GLN : amide:sc= -0.774 K(o=-0.77,f=-3!) USER MOD Single : A 95 TYR OH : rot -120:sc= -0.656 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN :FLIP amide:sc= -0.254 F(o=-1.2,f=-0.25) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 169:sc= -0.0351 (180deg=-0.285) USER MOD Single : A 113 ASN : amide:sc= -0.0383 K(o=-0.038,f=-1.5) USER MOD Single : A 116 CYS SG : rot -132:sc= -0.838 USER MOD Single : A 120 THR OG1 : rot -34:sc= 0.132 USER MOD Single : A 122 MET CE :methyl -148:sc= -1.54 (180deg=-3.88!) USER MOD Single : A 123 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.35) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0.0126 X(o=0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.431 -2.641 -7.298 1.00 0.00 N ATOM 222 CA ASP A 17 -15.828 -3.382 -6.106 1.00 0.00 C ATOM 223 C ASP A 17 -14.709 -3.382 -5.069 1.00 0.00 C ATOM 224 O ASP A 17 -14.964 -3.323 -3.865 1.00 0.00 O ATOM 225 CB ASP A 17 -16.200 -4.819 -6.473 1.00 0.00 C ATOM 226 CG ASP A 17 -17.653 -4.954 -6.887 1.00 0.00 C ATOM 227 OD1 ASP A 17 -18.446 -4.044 -6.569 1.00 0.00 O ATOM 228 OD2 ASP A 17 -17.996 -5.969 -7.528 1.00 0.00 O ATOM 0 HA ASP A 17 -16.699 -2.889 -5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.560 -5.160 -7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.006 -5.470 -5.621 1.00 0.00 H new ATOM 233 N LEU A 18 -13.470 -3.449 -5.543 1.00 0.00 N ATOM 234 CA LEU A 18 -12.312 -3.458 -4.657 1.00 0.00 C ATOM 235 C LEU A 18 -11.944 -2.042 -4.227 1.00 0.00 C ATOM 236 O LEU A 18 -11.491 -1.822 -3.104 1.00 0.00 O ATOM 237 CB LEU A 18 -11.119 -4.119 -5.351 1.00 0.00 C ATOM 238 CG LEU A 18 -11.306 -5.580 -5.762 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.128 -6.054 -6.598 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.480 -6.461 -4.533 1.00 0.00 C ATOM 0 H LEU A 18 -13.242 -3.498 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.571 -4.032 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.876 -3.540 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.257 -4.057 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.208 -5.655 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.279 -7.096 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.049 -5.441 -7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.210 -5.965 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.612 -7.497 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.596 -6.382 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.357 -6.136 -3.973 1.00 0.00 H new ATOM 252 N GLU A 19 -12.144 -1.085 -5.128 1.00 0.00 N ATOM 253 CA GLU A 19 -11.834 0.311 -4.840 1.00 0.00 C ATOM 254 C GLU A 19 -12.597 0.795 -3.610 1.00 0.00 C ATOM 255 O GLU A 19 -11.997 1.217 -2.622 1.00 0.00 O ATOM 256 CB GLU A 19 -12.175 1.191 -6.045 1.00 0.00 C ATOM 257 CG GLU A 19 -11.957 2.674 -5.796 1.00 0.00 C ATOM 258 CD GLU A 19 -12.898 3.545 -6.604 1.00 0.00 C ATOM 259 OE1 GLU A 19 -12.649 3.725 -7.815 1.00 0.00 O ATOM 260 OE2 GLU A 19 -13.885 4.047 -6.026 1.00 0.00 O ATOM 0 H GLU A 19 -12.519 -1.250 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.766 0.385 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.567 0.881 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.217 1.027 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.094 2.885 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.927 2.932 -6.042 1.00 0.00 H new ATOM 267 N GLN A 20 -13.923 0.731 -3.681 1.00 0.00 N ATOM 268 CA GLN A 20 -14.768 1.164 -2.574 1.00 0.00 C ATOM 269 C GLN A 20 -14.255 0.612 -1.249 1.00 0.00 C ATOM 270 O GLN A 20 -14.259 1.307 -0.232 1.00 0.00 O ATOM 271 CB GLN A 20 -16.213 0.717 -2.803 1.00 0.00 C ATOM 272 CG GLN A 20 -16.370 -0.790 -2.927 1.00 0.00 C ATOM 273 CD GLN A 20 -17.817 -1.215 -3.078 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.516 -1.444 -2.090 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.276 -1.324 -4.319 1.00 0.00 N ATOM 0 H GLN A 20 -14.435 0.384 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.735 2.253 -2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.830 1.072 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.592 1.189 -3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.800 -1.141 -3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.944 -1.270 -2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.662 -1.125 -5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.242 -1.607 -4.482 1.00 0.00 H new ATOM 284 N ILE A 21 -13.815 -0.642 -1.267 1.00 0.00 N ATOM 285 CA ILE A 21 -13.299 -1.287 -0.066 1.00 0.00 C ATOM 286 C ILE A 21 -11.983 -0.655 0.375 1.00 0.00 C ATOM 287 O ILE A 21 -11.797 -0.338 1.550 1.00 0.00 O ATOM 288 CB ILE A 21 -13.082 -2.796 -0.287 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.398 -3.470 -0.681 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.507 -3.438 0.967 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.222 -4.880 -1.203 1.00 0.00 C ATOM 0 H ILE A 21 -13.806 -1.231 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 21 -14.047 -1.146 0.714 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.369 -2.930 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.059 -3.492 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.891 -2.868 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.359 -4.504 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.551 -2.973 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.198 -3.297 1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.195 -5.296 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.586 -4.864 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.757 -5.497 -0.434 1.00 0.00 H new ATOM 303 N LEU A 22 -11.073 -0.474 -0.575 1.00 0.00 N ATOM 304 CA LEU A 22 -9.773 0.123 -0.286 1.00 0.00 C ATOM 305 C LEU A 22 -9.932 1.409 0.518 1.00 0.00 C ATOM 306 O LEU A 22 -9.418 1.524 1.631 1.00 0.00 O ATOM 307 CB LEU A 22 -9.021 0.411 -1.587 1.00 0.00 C ATOM 308 CG LEU A 22 -8.333 -0.786 -2.243 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.621 -0.360 -3.518 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.354 -1.435 -1.275 1.00 0.00 C ATOM 0 H LEU A 22 -11.211 -0.732 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.198 -0.587 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.724 0.838 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.268 1.173 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.095 -1.520 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.137 -1.225 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.345 0.058 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.870 0.393 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.874 -2.285 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.596 -0.708 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.890 -1.777 -0.390 1.00 0.00 H new ATOM 322 N ILE A 23 -10.648 2.373 -0.051 1.00 0.00 N ATOM 323 CA ILE A 23 -10.877 3.649 0.615 1.00 0.00 C ATOM 324 C ILE A 23 -11.337 3.443 2.054 1.00 0.00 C ATOM 325 O ILE A 23 -10.920 4.167 2.958 1.00 0.00 O ATOM 326 CB ILE A 23 -11.926 4.493 -0.132 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.442 4.813 -1.548 1.00 0.00 C ATOM 328 CG2 ILE A 23 -12.219 5.774 0.635 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.525 5.366 -2.447 1.00 0.00 C ATOM 0 H ILE A 23 -11.080 2.294 -0.972 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.926 4.182 0.613 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.848 3.917 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.626 5.534 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.036 3.907 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.962 6.360 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.602 5.526 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.302 6.355 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.110 5.570 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.331 4.638 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.916 6.290 -2.020 1.00 0.00 H new ATOM 341 N GLN A 24 -12.197 2.451 2.258 1.00 0.00 N ATOM 342 CA GLN A 24 -12.713 2.150 3.589 1.00 0.00 C ATOM 343 C GLN A 24 -11.597 1.667 4.509 1.00 0.00 C ATOM 344 O GLN A 24 -11.501 2.092 5.660 1.00 0.00 O ATOM 345 CB GLN A 24 -13.814 1.092 3.504 1.00 0.00 C ATOM 346 CG GLN A 24 -15.172 1.656 3.120 1.00 0.00 C ATOM 347 CD GLN A 24 -16.274 0.616 3.174 1.00 0.00 C ATOM 348 OE1 GLN A 24 -17.087 0.604 4.098 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.305 -0.265 2.181 1.00 0.00 N ATOM 0 H GLN A 24 -12.551 1.842 1.520 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.131 3.067 4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.524 0.336 2.774 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.898 0.589 4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.422 2.479 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.117 2.070 2.113 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.611 -0.218 1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.023 -0.989 2.164 1.00 0.00 H new ATOM 358 N TRP A 25 -10.756 0.777 3.993 1.00 0.00 N ATOM 359 CA TRP A 25 -9.646 0.236 4.769 1.00 0.00 C ATOM 360 C TRP A 25 -8.601 1.310 5.047 1.00 0.00 C ATOM 361 O TRP A 25 -8.389 1.702 6.195 1.00 0.00 O ATOM 362 CB TRP A 25 -9.005 -0.939 4.029 1.00 0.00 C ATOM 363 CG TRP A 25 -7.785 -1.478 4.714 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.678 -1.849 6.024 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.501 -1.705 4.125 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.404 -2.292 6.285 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.662 -2.215 5.135 1.00 0.00 C ATOM 368 CE3 TRP A 25 -5.977 -1.528 2.841 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.331 -2.548 4.900 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.656 -1.859 2.609 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.845 -2.365 3.634 1.00 0.00 C ATOM 0 H TRP A 25 -10.822 0.415 3.042 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.039 -0.116 5.723 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.739 -1.739 3.927 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.737 -0.622 3.021 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.478 -1.801 6.748 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.065 -2.624 7.188 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.594 -1.139 2.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.704 -2.937 5.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.241 -1.726 1.621 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.816 -2.615 3.420 1.00 0.00 H new ATOM 382 N ILE A 26 -7.950 1.783 3.989 1.00 0.00 N ATOM 383 CA ILE A 26 -6.927 2.813 4.120 1.00 0.00 C ATOM 384 C ILE A 26 -7.295 3.818 5.206 1.00 0.00 C ATOM 385 O ILE A 26 -6.521 4.059 6.133 1.00 0.00 O ATOM 386 CB ILE A 26 -6.712 3.565 2.793 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.270 2.593 1.697 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.685 4.673 2.972 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.237 3.212 0.317 1.00 0.00 C ATOM 0 H ILE A 26 -8.113 1.469 3.032 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.002 2.306 4.395 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.657 4.018 2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.278 2.212 1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.946 1.738 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.544 5.195 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.037 5.377 3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.737 4.242 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.915 2.465 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.233 3.568 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.539 4.049 0.310 1.00 0.00 H new ATOM 401 N THR A 27 -8.484 4.402 5.087 1.00 0.00 N ATOM 402 CA THR A 27 -8.956 5.381 6.058 1.00 0.00 C ATOM 403 C THR A 27 -9.007 4.783 7.460 1.00 0.00 C ATOM 404 O THR A 27 -8.716 5.460 8.446 1.00 0.00 O ATOM 405 CB THR A 27 -10.353 5.912 5.687 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.293 4.832 5.647 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.324 6.616 4.339 1.00 0.00 C ATOM 0 H THR A 27 -9.138 4.213 4.327 1.00 0.00 H new ATOM 0 HA THR A 27 -8.246 6.208 6.044 1.00 0.00 H new ATOM 0 HB THR A 27 -10.658 6.631 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.300 4.438 4.750 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.322 6.982 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.630 7.455 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.999 5.915 3.570 1.00 0.00 H new ATOM 415 N THR A 28 -9.380 3.510 7.542 1.00 0.00 N ATOM 416 CA THR A 28 -9.470 2.821 8.823 1.00 0.00 C ATOM 417 C THR A 28 -8.086 2.563 9.407 1.00 0.00 C ATOM 418 O THR A 28 -7.779 3.005 10.514 1.00 0.00 O ATOM 419 CB THR A 28 -10.216 1.480 8.688 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.572 1.711 8.290 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.192 0.713 10.002 1.00 0.00 C ATOM 0 H THR A 28 -9.625 2.935 6.736 1.00 0.00 H new ATOM 0 HA THR A 28 -10.029 3.473 9.494 1.00 0.00 H new ATOM 0 HB THR A 28 -9.711 0.884 7.928 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.608 1.861 7.322 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.725 -0.230 9.882 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.159 0.513 10.288 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.675 1.306 10.779 1.00 0.00 H new ATOM 429 N GLN A 29 -7.256 1.847 8.657 1.00 0.00 N ATOM 430 CA GLN A 29 -5.904 1.531 9.102 1.00 0.00 C ATOM 431 C GLN A 29 -5.263 2.732 9.790 1.00 0.00 C ATOM 432 O GLN A 29 -4.748 2.621 10.903 1.00 0.00 O ATOM 433 CB GLN A 29 -5.044 1.088 7.917 1.00 0.00 C ATOM 434 CG GLN A 29 -3.807 0.304 8.323 1.00 0.00 C ATOM 435 CD GLN A 29 -4.142 -1.048 8.919 1.00 0.00 C ATOM 436 OE1 GLN A 29 -4.497 -1.985 8.203 1.00 0.00 O ATOM 437 NE2 GLN A 29 -4.032 -1.158 10.238 1.00 0.00 N ATOM 0 H GLN A 29 -7.496 1.474 7.738 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.967 0.714 9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.649 0.475 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.737 1.968 7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.168 0.164 7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.235 0.884 9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.734 -0.356 10.794 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.245 -2.044 10.695 1.00 0.00 H new ATOM 446 N CYS A 30 -5.297 3.879 9.120 1.00 0.00 N ATOM 447 CA CYS A 30 -4.719 5.101 9.666 1.00 0.00 C ATOM 448 C CYS A 30 -5.543 5.615 10.842 1.00 0.00 C ATOM 449 O CYS A 30 -6.757 5.783 10.736 1.00 0.00 O ATOM 450 CB CYS A 30 -4.629 6.177 8.582 1.00 0.00 C ATOM 451 SG CYS A 30 -6.233 6.718 7.946 1.00 0.00 S ATOM 0 H CYS A 30 -5.719 3.988 8.198 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.715 4.870 10.023 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.100 7.040 8.985 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.032 5.795 7.754 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.183 6.094 8.577 1.00 0.00 H new ATOM 457 N ARG A 31 -4.874 5.861 11.964 1.00 0.00 N ATOM 458 CA ARG A 31 -5.545 6.352 13.162 1.00 0.00 C ATOM 459 C ARG A 31 -5.782 7.857 13.073 1.00 0.00 C ATOM 460 O ARG A 31 -6.161 8.495 14.055 1.00 0.00 O ATOM 461 CB ARG A 31 -4.715 6.028 14.406 1.00 0.00 C ATOM 462 CG ARG A 31 -3.434 6.839 14.512 1.00 0.00 C ATOM 463 CD ARG A 31 -2.938 6.911 15.948 1.00 0.00 C ATOM 464 NE ARG A 31 -2.070 5.786 16.284 1.00 0.00 N ATOM 465 CZ ARG A 31 -1.562 5.586 17.495 1.00 0.00 C ATOM 466 NH1 ARG A 31 -1.833 6.432 18.479 1.00 0.00 N ATOM 467 NH2 ARG A 31 -0.780 4.539 17.723 1.00 0.00 N ATOM 0 H ARG A 31 -3.868 5.728 12.068 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.511 5.853 13.238 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.322 6.206 15.294 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.464 4.967 14.399 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.665 6.391 13.882 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.608 7.847 14.135 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.396 7.845 16.098 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.791 6.926 16.626 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.841 5.117 15.549 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.433 7.239 18.307 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.442 6.276 19.408 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.568 3.887 16.968 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.390 4.386 18.653 1.00 0.00 H new ATOM 481 N LYS A 32 -5.556 8.417 11.890 1.00 0.00 N ATOM 482 CA LYS A 32 -5.746 9.846 11.671 1.00 0.00 C ATOM 483 C LYS A 32 -6.393 10.108 10.315 1.00 0.00 C ATOM 484 O LYS A 32 -5.889 9.668 9.281 1.00 0.00 O ATOM 485 CB LYS A 32 -4.405 10.579 11.758 1.00 0.00 C ATOM 486 CG LYS A 32 -3.565 10.461 10.499 1.00 0.00 C ATOM 487 CD LYS A 32 -3.872 11.579 9.516 1.00 0.00 C ATOM 488 CE LYS A 32 -3.129 12.856 9.876 1.00 0.00 C ATOM 489 NZ LYS A 32 -1.730 12.846 9.367 1.00 0.00 N ATOM 0 H LYS A 32 -5.241 7.903 11.067 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.410 10.222 12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.589 11.633 11.964 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.838 10.184 12.601 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.508 10.487 10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.752 9.497 10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.594 11.266 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.945 11.771 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.660 13.714 9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.120 12.978 10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.159 13.527 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.328 11.893 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.725 13.111 8.361 1.00 0.00 H new ATOM 503 N ASP A 33 -7.510 10.827 10.326 1.00 0.00 N ATOM 504 CA ASP A 33 -8.224 11.149 9.097 1.00 0.00 C ATOM 505 C ASP A 33 -7.297 11.822 8.090 1.00 0.00 C ATOM 506 O ASP A 33 -7.088 13.034 8.136 1.00 0.00 O ATOM 507 CB ASP A 33 -9.416 12.059 9.398 1.00 0.00 C ATOM 508 CG ASP A 33 -8.990 13.434 9.873 1.00 0.00 C ATOM 509 OD1 ASP A 33 -7.912 13.539 10.495 1.00 0.00 O ATOM 510 OD2 ASP A 33 -9.734 14.406 9.623 1.00 0.00 O ATOM 0 H ASP A 33 -7.940 11.198 11.173 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.588 10.218 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.027 12.161 8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.042 11.593 10.159 1.00 0.00 H new ATOM 515 N VAL A 34 -6.742 11.027 7.181 1.00 0.00 N ATOM 516 CA VAL A 34 -5.836 11.545 6.162 1.00 0.00 C ATOM 517 C VAL A 34 -6.554 12.515 5.231 1.00 0.00 C ATOM 518 O VAL A 34 -5.922 13.324 4.554 1.00 0.00 O ATOM 519 CB VAL A 34 -5.222 10.407 5.326 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.355 9.511 6.197 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.315 9.601 4.640 1.00 0.00 C ATOM 0 H VAL A 34 -6.904 10.021 7.129 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.038 12.072 6.686 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.588 10.847 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.930 8.713 5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.550 10.100 6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.963 9.077 6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.863 8.801 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.976 9.171 5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.890 10.253 3.982 1.00 0.00 H new ATOM 531 N GLY A 35 -7.880 12.429 5.203 1.00 0.00 N ATOM 532 CA GLY A 35 -8.663 13.305 4.352 1.00 0.00 C ATOM 533 C GLY A 35 -9.632 12.543 3.469 1.00 0.00 C ATOM 534 O GLY A 35 -9.776 12.850 2.286 1.00 0.00 O ATOM 0 H GLY A 35 -8.426 11.768 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.218 14.008 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.992 13.893 3.726 1.00 0.00 H new ATOM 538 N ARG A 36 -10.296 11.546 4.045 1.00 0.00 N ATOM 539 CA ARG A 36 -11.253 10.736 3.302 1.00 0.00 C ATOM 540 C ARG A 36 -11.949 11.566 2.227 1.00 0.00 C ATOM 541 O ARG A 36 -12.934 12.260 2.485 1.00 0.00 O ATOM 542 CB ARG A 36 -12.292 10.137 4.251 1.00 0.00 C ATOM 543 CG ARG A 36 -12.936 8.865 3.725 1.00 0.00 C ATOM 544 CD ARG A 36 -14.190 9.167 2.919 1.00 0.00 C ATOM 545 NE ARG A 36 -14.780 7.958 2.351 1.00 0.00 N ATOM 546 CZ ARG A 36 -16.051 7.868 1.975 1.00 0.00 C ATOM 547 NH1 ARG A 36 -16.860 8.910 2.105 1.00 0.00 N ATOM 548 NH2 ARG A 36 -16.515 6.734 1.466 1.00 0.00 N ATOM 0 H ARG A 36 -10.189 11.280 5.024 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.706 9.928 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.817 9.924 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.070 10.877 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.223 8.326 3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.188 8.211 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.921 9.661 3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.946 9.863 2.116 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.184 7.138 2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.507 9.784 2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.835 8.838 1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.896 5.930 1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.491 6.666 1.178 1.00 0.00 H new ATOM 562 N PRO A 37 -11.427 11.496 0.994 1.00 0.00 N ATOM 563 CA PRO A 37 -11.983 12.235 -0.144 1.00 0.00 C ATOM 564 C PRO A 37 -13.339 11.692 -0.581 1.00 0.00 C ATOM 565 O PRO A 37 -13.961 10.904 0.131 1.00 0.00 O ATOM 566 CB PRO A 37 -10.942 12.023 -1.246 1.00 0.00 C ATOM 567 CG PRO A 37 -10.264 10.746 -0.888 1.00 0.00 C ATOM 568 CD PRO A 37 -10.255 10.690 0.615 1.00 0.00 C ATOM 0 HA PRO A 37 -12.161 13.283 0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.412 11.960 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.233 12.850 -1.285 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.795 9.891 -1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.250 10.718 -1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.337 9.666 0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.334 11.102 1.027 1.00 0.00 H new ATOM 576 N GLN A 38 -13.791 12.118 -1.756 1.00 0.00 N ATOM 577 CA GLN A 38 -15.074 11.673 -2.287 1.00 0.00 C ATOM 578 C GLN A 38 -14.915 10.389 -3.094 1.00 0.00 C ATOM 579 O GLN A 38 -13.896 10.160 -3.746 1.00 0.00 O ATOM 580 CB GLN A 38 -15.694 12.765 -3.161 1.00 0.00 C ATOM 581 CG GLN A 38 -14.984 12.955 -4.492 1.00 0.00 C ATOM 582 CD GLN A 38 -15.447 11.968 -5.546 1.00 0.00 C ATOM 583 OE1 GLN A 38 -16.230 11.061 -5.263 1.00 0.00 O ATOM 584 NE2 GLN A 38 -14.963 12.139 -6.771 1.00 0.00 N ATOM 0 H GLN A 38 -13.288 12.770 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.736 11.471 -1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.739 12.519 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.681 13.708 -2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -15.156 13.970 -4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.909 12.847 -4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.316 12.904 -6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -15.238 11.505 -7.521 1.00 0.00 H new ATOM 593 N PRO A 39 -15.944 9.530 -3.049 1.00 0.00 N ATOM 594 CA PRO A 39 -15.941 8.253 -3.770 1.00 0.00 C ATOM 595 C PRO A 39 -16.036 8.441 -5.281 1.00 0.00 C ATOM 596 O PRO A 39 -17.107 8.728 -5.814 1.00 0.00 O ATOM 597 CB PRO A 39 -17.189 7.544 -3.240 1.00 0.00 C ATOM 598 CG PRO A 39 -18.090 8.644 -2.794 1.00 0.00 C ATOM 599 CD PRO A 39 -17.189 9.738 -2.291 1.00 0.00 C ATOM 0 HA PRO A 39 -15.018 7.696 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.658 6.937 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.944 6.874 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.711 8.997 -3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.765 8.302 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.613 10.725 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.023 9.660 -1.217 1.00 0.00 H new ATOM 607 N GLY A 40 -14.908 8.276 -5.965 1.00 0.00 N ATOM 608 CA GLY A 40 -14.887 8.431 -7.408 1.00 0.00 C ATOM 609 C GLY A 40 -13.782 7.625 -8.061 1.00 0.00 C ATOM 610 O GLY A 40 -13.523 6.486 -7.673 1.00 0.00 O ATOM 0 H GLY A 40 -14.009 8.038 -5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.849 8.122 -7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.759 9.485 -7.655 1.00 0.00 H new ATOM 614 N ARG A 41 -13.130 8.216 -9.057 1.00 0.00 N ATOM 615 CA ARG A 41 -12.048 7.544 -9.768 1.00 0.00 C ATOM 616 C ARG A 41 -10.827 8.451 -9.882 1.00 0.00 C ATOM 617 O ARG A 41 -9.704 8.033 -9.602 1.00 0.00 O ATOM 618 CB ARG A 41 -12.513 7.117 -11.161 1.00 0.00 C ATOM 619 CG ARG A 41 -13.497 5.959 -11.147 1.00 0.00 C ATOM 620 CD ARG A 41 -14.932 6.448 -11.028 1.00 0.00 C ATOM 621 NE ARG A 41 -15.263 7.430 -12.057 1.00 0.00 N ATOM 622 CZ ARG A 41 -15.594 7.106 -13.302 1.00 0.00 C ATOM 623 NH1 ARG A 41 -15.638 5.834 -13.670 1.00 0.00 N ATOM 624 NH2 ARG A 41 -15.882 8.057 -14.181 1.00 0.00 N ATOM 0 H ARG A 41 -13.332 9.159 -9.390 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.768 6.658 -9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.976 7.970 -11.657 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.643 6.836 -11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.385 5.374 -12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.267 5.295 -10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.612 5.599 -11.105 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.084 6.890 -10.043 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.239 8.418 -11.806 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.417 5.100 -12.997 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.893 5.588 -14.627 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.849 9.037 -13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.136 7.808 -15.137 1.00 0.00 H new ATOM 638 N GLU A 42 -11.055 9.693 -10.297 1.00 0.00 N ATOM 639 CA GLU A 42 -9.973 10.658 -10.450 1.00 0.00 C ATOM 640 C GLU A 42 -9.410 11.064 -9.091 1.00 0.00 C ATOM 641 O GLU A 42 -8.209 11.287 -8.947 1.00 0.00 O ATOM 642 CB GLU A 42 -10.466 11.896 -11.201 1.00 0.00 C ATOM 643 CG GLU A 42 -11.626 12.600 -10.518 1.00 0.00 C ATOM 644 CD GLU A 42 -12.408 13.489 -11.465 1.00 0.00 C ATOM 645 OE1 GLU A 42 -11.776 14.295 -12.180 1.00 0.00 O ATOM 646 OE2 GLU A 42 -13.651 13.380 -11.492 1.00 0.00 O ATOM 0 H GLU A 42 -11.979 10.054 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.178 10.185 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.639 12.598 -11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.770 11.604 -12.206 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.296 11.855 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.246 13.201 -9.692 1.00 0.00 H new ATOM 653 N ASN A 43 -10.288 11.158 -8.098 1.00 0.00 N ATOM 654 CA ASN A 43 -9.880 11.539 -6.750 1.00 0.00 C ATOM 655 C ASN A 43 -8.892 10.528 -6.175 1.00 0.00 C ATOM 656 O ASN A 43 -7.743 10.861 -5.887 1.00 0.00 O ATOM 657 CB ASN A 43 -11.102 11.651 -5.837 1.00 0.00 C ATOM 658 CG ASN A 43 -10.884 12.626 -4.696 1.00 0.00 C ATOM 659 OD1 ASN A 43 -9.961 12.467 -3.897 1.00 0.00 O ATOM 660 ND2 ASN A 43 -11.736 13.642 -4.616 1.00 0.00 N ATOM 0 H ASN A 43 -11.286 10.976 -8.201 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.388 12.510 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.963 11.970 -6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.340 10.668 -5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.640 14.331 -3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.486 13.734 -5.301 1.00 0.00 H new ATOM 667 N PHE A 44 -9.349 9.290 -6.011 1.00 0.00 N ATOM 668 CA PHE A 44 -8.506 8.230 -5.470 1.00 0.00 C ATOM 669 C PHE A 44 -7.060 8.397 -5.929 1.00 0.00 C ATOM 670 O PHE A 44 -6.136 8.383 -5.117 1.00 0.00 O ATOM 671 CB PHE A 44 -9.035 6.860 -5.900 1.00 0.00 C ATOM 672 CG PHE A 44 -8.432 5.717 -5.134 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.881 5.406 -3.861 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.416 4.955 -5.688 1.00 0.00 C ATOM 675 CE1 PHE A 44 -8.328 4.355 -3.154 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.860 3.902 -4.985 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.316 3.603 -3.716 1.00 0.00 C ATOM 0 H PHE A 44 -10.298 8.997 -6.245 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.533 8.297 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.117 6.841 -5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.836 6.720 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.672 5.991 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.055 5.186 -6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.687 4.122 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.070 3.314 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.882 2.782 -3.164 1.00 0.00 H new ATOM 687 N GLN A 45 -6.875 8.554 -7.235 1.00 0.00 N ATOM 688 CA GLN A 45 -5.542 8.722 -7.802 1.00 0.00 C ATOM 689 C GLN A 45 -4.816 9.893 -7.149 1.00 0.00 C ATOM 690 O GLN A 45 -3.639 9.793 -6.807 1.00 0.00 O ATOM 691 CB GLN A 45 -5.631 8.941 -9.314 1.00 0.00 C ATOM 692 CG GLN A 45 -4.293 8.829 -10.025 1.00 0.00 C ATOM 693 CD GLN A 45 -3.564 10.156 -10.110 1.00 0.00 C ATOM 694 OE1 GLN A 45 -3.086 10.680 -9.103 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.475 10.707 -11.315 1.00 0.00 N ATOM 0 H GLN A 45 -7.630 8.568 -7.920 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.975 7.812 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.321 8.211 -9.738 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.053 9.927 -9.506 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.666 8.108 -9.500 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.452 8.441 -11.031 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.886 10.238 -12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.996 11.600 -11.434 1.00 0.00 H new ATOM 704 N ASN A 46 -5.527 11.003 -6.979 1.00 0.00 N ATOM 705 CA ASN A 46 -4.950 12.195 -6.367 1.00 0.00 C ATOM 706 C ASN A 46 -4.829 12.026 -4.856 1.00 0.00 C ATOM 707 O ASN A 46 -4.053 12.723 -4.203 1.00 0.00 O ATOM 708 CB ASN A 46 -5.804 13.423 -6.688 1.00 0.00 C ATOM 709 CG ASN A 46 -5.508 13.990 -8.063 1.00 0.00 C ATOM 710 OD1 ASN A 46 -4.351 14.074 -8.476 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.555 14.383 -8.778 1.00 0.00 N ATOM 0 H ASN A 46 -6.504 11.102 -7.256 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.951 12.338 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.859 13.154 -6.628 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.628 14.192 -5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.418 14.774 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.496 14.294 -8.395 1.00 0.00 H new ATOM 718 N TRP A 47 -5.601 11.095 -4.307 1.00 0.00 N ATOM 719 CA TRP A 47 -5.580 10.834 -2.872 1.00 0.00 C ATOM 720 C TRP A 47 -4.280 10.152 -2.462 1.00 0.00 C ATOM 721 O TRP A 47 -3.710 10.459 -1.414 1.00 0.00 O ATOM 722 CB TRP A 47 -6.774 9.965 -2.474 1.00 0.00 C ATOM 723 CG TRP A 47 -6.942 9.830 -0.990 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.781 10.811 -0.054 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.300 8.644 -0.273 1.00 0.00 C ATOM 726 NE1 TRP A 47 -7.018 10.307 1.201 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.340 8.979 1.094 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.594 7.331 -0.653 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.659 8.049 2.080 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.911 6.409 0.326 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.942 6.772 1.680 1.00 0.00 C ATOM 0 H TRP A 47 -6.249 10.509 -4.833 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.646 11.790 -2.353 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.683 10.392 -2.898 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.654 8.973 -2.911 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.507 11.833 -0.269 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.963 10.835 2.072 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.574 7.043 -1.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.682 8.326 3.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -8.139 5.392 0.044 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.194 6.029 2.422 1.00 0.00 H new ATOM 742 N LEU A 48 -3.815 9.226 -3.293 1.00 0.00 N ATOM 743 CA LEU A 48 -2.580 8.500 -3.016 1.00 0.00 C ATOM 744 C LEU A 48 -1.394 9.156 -3.717 1.00 0.00 C ATOM 745 O LEU A 48 -0.278 9.160 -3.198 1.00 0.00 O ATOM 746 CB LEU A 48 -2.710 7.044 -3.465 1.00 0.00 C ATOM 747 CG LEU A 48 -4.047 6.365 -3.163 1.00 0.00 C ATOM 748 CD1 LEU A 48 -4.004 4.899 -3.563 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.398 6.509 -1.689 1.00 0.00 C ATOM 0 H LEU A 48 -4.274 8.960 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.404 8.528 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.538 7.000 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.917 6.466 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.823 6.857 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.964 4.433 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.801 4.819 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.217 4.392 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.352 6.020 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.621 6.044 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.473 7.566 -1.434 1.00 0.00 H new ATOM 761 N LYS A 49 -1.645 9.711 -4.898 1.00 0.00 N ATOM 762 CA LYS A 49 -0.600 10.374 -5.669 1.00 0.00 C ATOM 763 C LYS A 49 0.323 11.176 -4.758 1.00 0.00 C ATOM 764 O LYS A 49 1.547 11.089 -4.865 1.00 0.00 O ATOM 765 CB LYS A 49 -1.220 11.294 -6.723 1.00 0.00 C ATOM 766 CG LYS A 49 -0.290 12.401 -7.187 1.00 0.00 C ATOM 767 CD LYS A 49 -0.444 13.651 -6.336 1.00 0.00 C ATOM 768 CE LYS A 49 0.060 14.887 -7.066 1.00 0.00 C ATOM 769 NZ LYS A 49 -0.121 16.123 -6.254 1.00 0.00 N ATOM 0 H LYS A 49 -2.563 9.715 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.010 9.606 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.518 10.696 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.127 11.740 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.742 12.053 -7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.500 12.641 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.493 13.786 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.107 13.528 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.116 14.762 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.472 14.992 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.354 16.920 -6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.136 16.331 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.292 15.982 -5.310 1.00 0.00 H new ATOM 783 N ASP A 50 -0.270 11.957 -3.861 1.00 0.00 N ATOM 784 CA ASP A 50 0.499 12.773 -2.930 1.00 0.00 C ATOM 785 C ASP A 50 1.487 11.916 -2.144 1.00 0.00 C ATOM 786 O ASP A 50 2.616 12.331 -1.887 1.00 0.00 O ATOM 787 CB ASP A 50 -0.437 13.505 -1.967 1.00 0.00 C ATOM 788 CG ASP A 50 -1.628 12.659 -1.561 1.00 0.00 C ATOM 789 OD1 ASP A 50 -1.425 11.652 -0.850 1.00 0.00 O ATOM 790 OD2 ASP A 50 -2.762 13.004 -1.953 1.00 0.00 O ATOM 0 H ASP A 50 -1.281 12.042 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 50 1.061 13.507 -3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.119 13.796 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.790 14.423 -2.436 1.00 0.00 H new ATOM 795 N GLY A 51 1.052 10.718 -1.764 1.00 0.00 N ATOM 796 CA GLY A 51 1.911 9.822 -1.011 1.00 0.00 C ATOM 797 C GLY A 51 1.552 9.777 0.461 1.00 0.00 C ATOM 798 O GLY A 51 1.402 8.700 1.039 1.00 0.00 O ATOM 0 H GLY A 51 0.121 10.352 -1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.840 8.818 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.948 10.141 -1.120 1.00 0.00 H new ATOM 802 N THR A 52 1.414 10.950 1.071 1.00 0.00 N ATOM 803 CA THR A 52 1.073 11.041 2.485 1.00 0.00 C ATOM 804 C THR A 52 0.147 9.904 2.902 1.00 0.00 C ATOM 805 O THR A 52 0.489 9.095 3.764 1.00 0.00 O ATOM 806 CB THR A 52 0.398 12.385 2.816 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.774 12.556 2.010 1.00 0.00 O ATOM 808 CG2 THR A 52 1.355 13.544 2.580 1.00 0.00 C ATOM 0 H THR A 52 1.533 11.851 0.607 1.00 0.00 H new ATOM 0 HA THR A 52 2.008 10.967 3.040 1.00 0.00 H new ATOM 0 HB THR A 52 0.117 12.376 3.869 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.198 13.412 2.227 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.856 14.483 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.233 13.426 3.216 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.663 13.554 1.534 1.00 0.00 H new ATOM 816 N VAL A 53 -1.028 9.847 2.283 1.00 0.00 N ATOM 817 CA VAL A 53 -2.004 8.808 2.588 1.00 0.00 C ATOM 818 C VAL A 53 -1.351 7.430 2.605 1.00 0.00 C ATOM 819 O VAL A 53 -1.509 6.668 3.561 1.00 0.00 O ATOM 820 CB VAL A 53 -3.158 8.804 1.568 1.00 0.00 C ATOM 821 CG1 VAL A 53 -4.084 7.623 1.813 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.926 10.116 1.629 1.00 0.00 C ATOM 0 H VAL A 53 -1.327 10.509 1.567 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.405 9.030 3.577 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.736 8.702 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.893 7.637 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.523 6.694 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.501 7.690 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.738 10.096 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.338 10.250 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.253 10.942 1.400 1.00 0.00 H new ATOM 832 N LEU A 54 -0.618 7.115 1.544 1.00 0.00 N ATOM 833 CA LEU A 54 0.060 5.828 1.436 1.00 0.00 C ATOM 834 C LEU A 54 1.001 5.609 2.616 1.00 0.00 C ATOM 835 O LEU A 54 1.178 4.482 3.081 1.00 0.00 O ATOM 836 CB LEU A 54 0.843 5.750 0.124 1.00 0.00 C ATOM 837 CG LEU A 54 0.032 5.385 -1.120 1.00 0.00 C ATOM 838 CD1 LEU A 54 0.656 5.998 -2.363 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.073 3.873 -1.264 1.00 0.00 C ATOM 0 H LEU A 54 -0.478 7.733 0.745 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.697 5.044 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.321 6.714 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.640 5.016 0.242 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.974 5.790 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.065 5.727 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.678 7.083 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.673 5.624 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.653 3.632 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.926 3.446 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.567 3.457 -0.386 1.00 0.00 H new ATOM 851 N CYS A 55 1.601 6.692 3.098 1.00 0.00 N ATOM 852 CA CYS A 55 2.523 6.618 4.225 1.00 0.00 C ATOM 853 C CYS A 55 1.798 6.180 5.493 1.00 0.00 C ATOM 854 O CYS A 55 2.166 5.187 6.119 1.00 0.00 O ATOM 855 CB CYS A 55 3.196 7.973 4.450 1.00 0.00 C ATOM 856 SG CYS A 55 4.022 8.639 2.986 1.00 0.00 S ATOM 0 H CYS A 55 1.465 7.632 2.726 1.00 0.00 H new ATOM 0 HA CYS A 55 3.286 5.876 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.445 8.688 4.787 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.926 7.875 5.253 1.00 0.00 H new ATOM 0 HG CYS A 55 3.213 8.586 1.970 1.00 0.00 H new ATOM 862 N GLU A 56 0.765 6.929 5.867 1.00 0.00 N ATOM 863 CA GLU A 56 -0.010 6.619 7.062 1.00 0.00 C ATOM 864 C GLU A 56 -0.443 5.156 7.066 1.00 0.00 C ATOM 865 O GLU A 56 -0.670 4.566 8.123 1.00 0.00 O ATOM 866 CB GLU A 56 -1.240 7.526 7.149 1.00 0.00 C ATOM 867 CG GLU A 56 -0.925 8.934 7.625 1.00 0.00 C ATOM 868 CD GLU A 56 -0.911 9.049 9.137 1.00 0.00 C ATOM 869 OE1 GLU A 56 -1.628 8.268 9.798 1.00 0.00 O ATOM 870 OE2 GLU A 56 -0.183 9.919 9.660 1.00 0.00 O ATOM 0 H GLU A 56 0.446 7.754 5.360 1.00 0.00 H new ATOM 0 HA GLU A 56 0.625 6.795 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.711 7.580 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.966 7.076 7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.045 9.238 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.664 9.625 7.219 1.00 0.00 H new ATOM 877 N LEU A 57 -0.556 4.576 5.876 1.00 0.00 N ATOM 878 CA LEU A 57 -0.961 3.181 5.740 1.00 0.00 C ATOM 879 C LEU A 57 0.131 2.244 6.246 1.00 0.00 C ATOM 880 O LEU A 57 0.011 1.658 7.322 1.00 0.00 O ATOM 881 CB LEU A 57 -1.285 2.864 4.279 1.00 0.00 C ATOM 882 CG LEU A 57 -1.741 1.433 3.988 1.00 0.00 C ATOM 883 CD1 LEU A 57 -3.012 1.111 4.759 1.00 0.00 C ATOM 884 CD2 LEU A 57 -1.957 1.236 2.495 1.00 0.00 C ATOM 0 H LEU A 57 -0.373 5.050 4.992 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.854 3.027 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.065 3.548 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.400 3.071 3.678 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.958 0.749 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.322 0.089 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.825 1.212 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.802 1.801 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.281 0.213 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.721 1.929 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.024 1.425 1.964 1.00 0.00 H new ATOM 896 N ILE A 58 1.197 2.110 5.463 1.00 0.00 N ATOM 897 CA ILE A 58 2.312 1.247 5.834 1.00 0.00 C ATOM 898 C ILE A 58 2.807 1.563 7.241 1.00 0.00 C ATOM 899 O ILE A 58 3.246 0.674 7.969 1.00 0.00 O ATOM 900 CB ILE A 58 3.485 1.388 4.845 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.602 0.405 5.203 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.008 2.816 4.844 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.464 -0.940 4.526 1.00 0.00 C ATOM 0 H ILE A 58 1.312 2.587 4.569 1.00 0.00 H new ATOM 0 HA ILE A 58 1.942 0.222 5.804 1.00 0.00 H new ATOM 0 HB ILE A 58 3.127 1.153 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.562 0.843 4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.614 0.259 6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.836 2.900 4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.209 3.496 4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.354 3.078 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.290 -1.585 4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.520 -1.400 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.482 -0.806 3.444 1.00 0.00 H new ATOM 915 N ASN A 59 2.732 2.835 7.618 1.00 0.00 N ATOM 916 CA ASN A 59 3.171 3.269 8.939 1.00 0.00 C ATOM 917 C ASN A 59 2.312 2.640 10.032 1.00 0.00 C ATOM 918 O ASN A 59 2.829 2.091 11.003 1.00 0.00 O ATOM 919 CB ASN A 59 3.113 4.794 9.043 1.00 0.00 C ATOM 920 CG ASN A 59 4.381 5.457 8.540 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.489 5.052 8.894 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.224 6.481 7.710 1.00 0.00 N ATOM 0 H ASN A 59 2.371 3.584 7.027 1.00 0.00 H new ATOM 0 HA ASN A 59 4.201 2.941 9.078 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.262 5.162 8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.945 5.078 10.082 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.041 6.966 7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.287 6.783 7.444 1.00 0.00 H new ATOM 929 N ALA A 60 0.996 2.724 9.864 1.00 0.00 N ATOM 930 CA ALA A 60 0.065 2.162 10.834 1.00 0.00 C ATOM 931 C ALA A 60 0.415 0.713 11.155 1.00 0.00 C ATOM 932 O ALA A 60 0.382 0.297 12.314 1.00 0.00 O ATOM 933 CB ALA A 60 -1.362 2.259 10.313 1.00 0.00 C ATOM 0 H ALA A 60 0.551 3.176 9.065 1.00 0.00 H new ATOM 0 HA ALA A 60 0.145 2.740 11.755 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.047 1.836 11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.616 3.305 10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.446 1.706 9.377 1.00 0.00 H new ATOM 939 N LEU A 61 0.751 -0.052 10.122 1.00 0.00 N ATOM 940 CA LEU A 61 1.108 -1.456 10.295 1.00 0.00 C ATOM 941 C LEU A 61 2.354 -1.599 11.163 1.00 0.00 C ATOM 942 O LEU A 61 2.275 -2.026 12.315 1.00 0.00 O ATOM 943 CB LEU A 61 1.343 -2.114 8.934 1.00 0.00 C ATOM 944 CG LEU A 61 0.146 -2.134 7.983 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.613 -2.205 6.537 1.00 0.00 C ATOM 946 CD2 LEU A 61 -0.773 -3.304 8.306 1.00 0.00 C ATOM 0 H LEU A 61 0.784 0.276 9.157 1.00 0.00 H new ATOM 0 HA LEU A 61 0.280 -1.956 10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.166 -1.597 8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.667 -3.141 9.101 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.415 -1.209 8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.253 -2.218 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.229 -1.335 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.198 -3.113 6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.619 -3.302 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.222 -4.239 8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.136 -3.210 9.329 1.00 0.00 H new ATOM 958 N TYR A 62 3.503 -1.238 10.603 1.00 0.00 N ATOM 959 CA TYR A 62 4.766 -1.326 11.326 1.00 0.00 C ATOM 960 C TYR A 62 4.645 -0.702 12.713 1.00 0.00 C ATOM 961 O TYR A 62 3.995 0.326 12.905 1.00 0.00 O ATOM 962 CB TYR A 62 5.878 -0.631 10.538 1.00 0.00 C ATOM 963 CG TYR A 62 6.490 -1.499 9.461 1.00 0.00 C ATOM 964 CD1 TYR A 62 7.274 -2.598 9.790 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.286 -1.219 8.116 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.836 -3.393 8.810 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.842 -2.010 7.129 1.00 0.00 C ATOM 968 CZ TYR A 62 7.617 -3.095 7.481 1.00 0.00 C ATOM 969 OH TYR A 62 8.174 -3.885 6.501 1.00 0.00 O ATOM 0 H TYR A 62 3.586 -0.882 9.651 1.00 0.00 H new ATOM 0 HA TYR A 62 5.016 -2.381 11.442 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.477 0.273 10.080 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.661 -0.318 11.229 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.447 -2.835 10.829 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.682 -0.368 7.837 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.444 -4.243 9.083 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.671 -1.780 6.088 1.00 0.00 H new ATOM 0 HH TYR A 62 7.922 -3.539 5.619 1.00 0.00 H new ATOM 979 N PRO A 63 5.286 -1.338 13.705 1.00 0.00 N ATOM 980 CA PRO A 63 5.267 -0.864 15.092 1.00 0.00 C ATOM 981 C PRO A 63 6.059 0.426 15.275 1.00 0.00 C ATOM 982 O PRO A 63 6.799 0.841 14.383 1.00 0.00 O ATOM 983 CB PRO A 63 5.923 -2.010 15.867 1.00 0.00 C ATOM 984 CG PRO A 63 6.789 -2.696 14.868 1.00 0.00 C ATOM 985 CD PRO A 63 6.080 -2.569 13.548 1.00 0.00 C ATOM 0 HA PRO A 63 4.258 -0.627 15.428 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.508 -1.636 16.707 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.176 -2.690 16.276 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.776 -2.236 14.826 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.936 -3.743 15.133 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.784 -2.490 12.720 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.447 -3.433 13.347 1.00 0.00 H new ATOM 993 N GLU A 64 5.900 1.053 16.436 1.00 0.00 N ATOM 994 CA GLU A 64 6.601 2.296 16.734 1.00 0.00 C ATOM 995 C GLU A 64 8.092 2.165 16.436 1.00 0.00 C ATOM 996 O GLU A 64 8.748 1.231 16.896 1.00 0.00 O ATOM 997 CB GLU A 64 6.396 2.685 18.200 1.00 0.00 C ATOM 998 CG GLU A 64 4.941 2.929 18.566 1.00 0.00 C ATOM 999 CD GLU A 64 4.458 4.305 18.151 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.467 4.595 16.937 1.00 0.00 O ATOM 1001 OE2 GLU A 64 4.071 5.091 19.040 1.00 0.00 O ATOM 0 H GLU A 64 5.292 0.721 17.185 1.00 0.00 H new ATOM 0 HA GLU A 64 6.187 3.077 16.097 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.795 1.895 18.836 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.972 3.586 18.412 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.319 2.171 18.091 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.817 2.814 19.643 1.00 0.00 H new ATOM 1008 N GLY A 65 8.620 3.108 15.661 1.00 0.00 N ATOM 1009 CA GLY A 65 10.029 3.079 15.314 1.00 0.00 C ATOM 1010 C GLY A 65 10.292 2.335 14.020 1.00 0.00 C ATOM 1011 O GLY A 65 10.999 2.832 13.144 1.00 0.00 O ATOM 0 H GLY A 65 8.098 3.891 15.268 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.399 4.100 15.224 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.589 2.607 16.121 1.00 0.00 H new ATOM 1015 N GLN A 66 9.723 1.140 13.900 1.00 0.00 N ATOM 1016 CA GLN A 66 9.902 0.325 12.704 1.00 0.00 C ATOM 1017 C GLN A 66 9.410 1.063 11.464 1.00 0.00 C ATOM 1018 O GLN A 66 9.986 0.935 10.384 1.00 0.00 O ATOM 1019 CB GLN A 66 9.158 -1.004 12.850 1.00 0.00 C ATOM 1020 CG GLN A 66 9.956 -2.070 13.584 1.00 0.00 C ATOM 1021 CD GLN A 66 10.217 -1.709 15.033 1.00 0.00 C ATOM 1022 OE1 GLN A 66 10.804 -0.667 15.329 1.00 0.00 O ATOM 1023 NE2 GLN A 66 9.782 -2.569 15.946 1.00 0.00 N ATOM 0 H GLN A 66 9.134 0.715 14.616 1.00 0.00 H new ATOM 0 HA GLN A 66 10.967 0.126 12.587 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.223 -0.831 13.383 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.897 -1.375 11.859 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.417 -3.016 13.541 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.907 -2.222 13.074 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.300 -3.420 15.656 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.929 -2.379 16.937 1.00 0.00 H new ATOM 1032 N ALA A 67 8.341 1.836 11.626 1.00 0.00 N ATOM 1033 CA ALA A 67 7.772 2.596 10.520 1.00 0.00 C ATOM 1034 C ALA A 67 8.868 3.168 9.626 1.00 0.00 C ATOM 1035 O ALA A 67 9.737 3.917 10.072 1.00 0.00 O ATOM 1036 CB ALA A 67 6.883 3.712 11.048 1.00 0.00 C ATOM 0 H ALA A 67 7.851 1.952 12.513 1.00 0.00 H new ATOM 0 HA ALA A 67 7.166 1.918 9.919 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.465 4.271 10.211 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.073 3.284 11.639 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.473 4.382 11.673 1.00 0.00 H new ATOM 1042 N PRO A 68 8.827 2.808 8.335 1.00 0.00 N ATOM 1043 CA PRO A 68 9.810 3.274 7.352 1.00 0.00 C ATOM 1044 C PRO A 68 9.661 4.760 7.044 1.00 0.00 C ATOM 1045 O PRO A 68 10.635 5.436 6.715 1.00 0.00 O ATOM 1046 CB PRO A 68 9.494 2.436 6.111 1.00 0.00 C ATOM 1047 CG PRO A 68 8.059 2.065 6.258 1.00 0.00 C ATOM 1048 CD PRO A 68 7.819 1.918 7.735 1.00 0.00 C ATOM 0 HA PRO A 68 10.833 3.160 7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.664 3.004 5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.128 1.551 6.059 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.412 2.832 5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.840 1.135 5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.807 2.215 8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.948 0.886 8.062 1.00 0.00 H new ATOM 1056 N VAL A 69 8.435 5.262 7.152 1.00 0.00 N ATOM 1057 CA VAL A 69 8.159 6.669 6.886 1.00 0.00 C ATOM 1058 C VAL A 69 7.642 7.373 8.135 1.00 0.00 C ATOM 1059 O VAL A 69 6.434 7.508 8.330 1.00 0.00 O ATOM 1060 CB VAL A 69 7.128 6.834 5.753 1.00 0.00 C ATOM 1061 CG1 VAL A 69 6.781 8.302 5.556 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.653 6.224 4.462 1.00 0.00 C ATOM 0 H VAL A 69 7.617 4.715 7.422 1.00 0.00 H new ATOM 0 HA VAL A 69 9.101 7.124 6.580 1.00 0.00 H new ATOM 0 HB VAL A 69 6.217 6.305 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.052 8.399 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.360 8.703 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.682 8.857 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.912 6.350 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.578 6.723 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.845 5.162 4.613 1.00 0.00 H new ATOM 1072 N LYS A 70 8.565 7.821 8.979 1.00 0.00 N ATOM 1073 CA LYS A 70 8.204 8.514 10.210 1.00 0.00 C ATOM 1074 C LYS A 70 7.786 9.953 9.923 1.00 0.00 C ATOM 1075 O LYS A 70 6.744 10.413 10.389 1.00 0.00 O ATOM 1076 CB LYS A 70 9.379 8.499 11.191 1.00 0.00 C ATOM 1077 CG LYS A 70 9.492 7.209 11.985 1.00 0.00 C ATOM 1078 CD LYS A 70 8.463 7.149 13.101 1.00 0.00 C ATOM 1079 CE LYS A 70 8.948 6.291 14.260 1.00 0.00 C ATOM 1080 NZ LYS A 70 10.020 6.968 15.041 1.00 0.00 N ATOM 0 H LYS A 70 9.569 7.717 8.833 1.00 0.00 H new ATOM 0 HA LYS A 70 7.358 7.991 10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.305 8.658 10.638 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.274 9.334 11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.357 6.357 11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.493 7.127 12.408 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.251 8.157 13.457 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.528 6.745 12.714 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.110 6.061 14.918 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.322 5.341 13.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.123 6.503 15.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.919 6.908 14.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.768 7.967 15.182 1.00 0.00 H new ATOM 1094 N LYS A 71 8.606 10.659 9.151 1.00 0.00 N ATOM 1095 CA LYS A 71 8.321 12.044 8.798 1.00 0.00 C ATOM 1096 C LYS A 71 7.256 12.120 7.709 1.00 0.00 C ATOM 1097 O LYS A 71 7.544 11.912 6.530 1.00 0.00 O ATOM 1098 CB LYS A 71 9.597 12.745 8.327 1.00 0.00 C ATOM 1099 CG LYS A 71 10.272 12.056 7.154 1.00 0.00 C ATOM 1100 CD LYS A 71 11.780 12.241 7.191 1.00 0.00 C ATOM 1101 CE LYS A 71 12.207 13.488 6.432 1.00 0.00 C ATOM 1102 NZ LYS A 71 13.683 13.684 6.474 1.00 0.00 N ATOM 0 H LYS A 71 9.474 10.294 8.758 1.00 0.00 H new ATOM 0 HA LYS A 71 7.943 12.549 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.356 13.770 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.300 12.800 9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.035 10.992 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.878 12.457 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.114 12.312 8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.266 11.366 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.880 13.412 5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.712 14.360 6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.934 14.544 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.992 13.782 7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.155 12.863 6.044 1.00 0.00 H new ATOM 1116 N ILE A 72 6.025 12.422 8.111 1.00 0.00 N ATOM 1117 CA ILE A 72 4.919 12.528 7.168 1.00 0.00 C ATOM 1118 C ILE A 72 4.442 13.970 7.041 1.00 0.00 C ATOM 1119 O ILE A 72 3.810 14.508 7.950 1.00 0.00 O ATOM 1120 CB ILE A 72 3.732 11.642 7.592 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.212 10.224 7.905 1.00 0.00 C ATOM 1122 CG2 ILE A 72 2.673 11.619 6.500 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.227 9.419 8.724 1.00 0.00 C ATOM 0 H ILE A 72 5.769 12.597 9.083 1.00 0.00 H new ATOM 0 HA ILE A 72 5.292 12.185 6.203 1.00 0.00 H new ATOM 0 HB ILE A 72 3.288 12.062 8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.407 9.700 6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.159 10.280 8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.841 10.989 6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.314 12.632 6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.105 11.219 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.634 8.425 8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.050 9.920 9.676 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.287 9.332 8.179 1.00 0.00 H new ATOM 1135 N GLN A 73 4.748 14.591 5.906 1.00 0.00 N ATOM 1136 CA GLN A 73 4.349 15.971 5.659 1.00 0.00 C ATOM 1137 C GLN A 73 3.908 16.160 4.211 1.00 0.00 C ATOM 1138 O GLN A 73 4.652 15.852 3.280 1.00 0.00 O ATOM 1139 CB GLN A 73 5.503 16.923 5.981 1.00 0.00 C ATOM 1140 CG GLN A 73 5.084 18.382 6.061 1.00 0.00 C ATOM 1141 CD GLN A 73 6.239 19.304 6.398 1.00 0.00 C ATOM 1142 OE1 GLN A 73 6.977 19.068 7.354 1.00 0.00 O ATOM 1143 NE2 GLN A 73 6.402 20.361 5.611 1.00 0.00 N ATOM 0 H GLN A 73 5.271 14.160 5.144 1.00 0.00 H new ATOM 0 HA GLN A 73 3.505 16.200 6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.951 16.630 6.931 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.274 16.816 5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.649 18.684 5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.305 18.491 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.766 20.518 4.829 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.163 21.016 5.788 1.00 0.00 H new ATOM 1152 N ALA A 74 2.693 16.667 4.029 1.00 0.00 N ATOM 1153 CA ALA A 74 2.154 16.898 2.695 1.00 0.00 C ATOM 1154 C ALA A 74 2.987 17.925 1.936 1.00 0.00 C ATOM 1155 O ALA A 74 2.621 19.098 1.854 1.00 0.00 O ATOM 1156 CB ALA A 74 0.705 17.353 2.783 1.00 0.00 C ATOM 0 H ALA A 74 2.064 16.925 4.789 1.00 0.00 H new ATOM 0 HA ALA A 74 2.196 15.957 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.315 17.522 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.112 16.584 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.649 18.279 3.355 1.00 0.00 H new ATOM 1162 N SER A 75 4.110 17.478 1.383 1.00 0.00 N ATOM 1163 CA SER A 75 4.998 18.359 0.635 1.00 0.00 C ATOM 1164 C SER A 75 4.214 19.189 -0.377 1.00 0.00 C ATOM 1165 O SER A 75 4.461 20.384 -0.545 1.00 0.00 O ATOM 1166 CB SER A 75 6.076 17.544 -0.083 1.00 0.00 C ATOM 1167 OG SER A 75 6.786 16.724 0.829 1.00 0.00 O ATOM 0 H SER A 75 4.426 16.510 1.439 1.00 0.00 H new ATOM 0 HA SER A 75 5.476 19.036 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.616 16.924 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.769 18.217 -0.588 1.00 0.00 H new ATOM 0 HG SER A 75 7.749 16.849 0.700 1.00 0.00 H new ATOM 1173 N THR A 76 3.265 18.546 -1.052 1.00 0.00 N ATOM 1174 CA THR A 76 2.445 19.222 -2.048 1.00 0.00 C ATOM 1175 C THR A 76 3.289 19.697 -3.225 1.00 0.00 C ATOM 1176 O THR A 76 2.929 20.651 -3.914 1.00 0.00 O ATOM 1177 CB THR A 76 1.705 20.429 -1.442 1.00 0.00 C ATOM 1178 OG1 THR A 76 1.132 20.069 -0.180 1.00 0.00 O ATOM 1179 CG2 THR A 76 0.611 20.920 -2.379 1.00 0.00 C ATOM 0 H THR A 76 3.046 17.558 -0.926 1.00 0.00 H new ATOM 0 HA THR A 76 1.713 18.495 -2.399 1.00 0.00 H new ATOM 0 HB THR A 76 2.426 21.234 -1.298 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.847 19.915 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.102 21.773 -1.929 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.053 21.221 -3.329 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.108 20.119 -2.551 1.00 0.00 H new ATOM 1187 N MET A 77 4.413 19.025 -3.451 1.00 0.00 N ATOM 1188 CA MET A 77 5.307 19.378 -4.547 1.00 0.00 C ATOM 1189 C MET A 77 5.412 18.236 -5.553 1.00 0.00 C ATOM 1190 O MET A 77 5.814 17.126 -5.205 1.00 0.00 O ATOM 1191 CB MET A 77 6.696 19.728 -4.008 1.00 0.00 C ATOM 1192 CG MET A 77 6.678 20.807 -2.938 1.00 0.00 C ATOM 1193 SD MET A 77 8.332 21.370 -2.492 1.00 0.00 S ATOM 1194 CE MET A 77 8.383 22.957 -3.319 1.00 0.00 C ATOM 0 H MET A 77 4.726 18.233 -2.890 1.00 0.00 H new ATOM 0 HA MET A 77 4.892 20.249 -5.055 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.155 18.828 -3.598 1.00 0.00 H new ATOM 0 HB3 MET A 77 7.325 20.058 -4.835 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.093 21.655 -3.293 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.177 20.424 -2.049 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.347 23.431 -3.137 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.246 22.813 -4.391 1.00 0.00 H new ATOM 0 HE3 MET A 77 7.587 23.594 -2.933 1.00 0.00 H new ATOM 1204 N ALA A 78 5.048 18.516 -6.800 1.00 0.00 N ATOM 1205 CA ALA A 78 5.103 17.512 -7.855 1.00 0.00 C ATOM 1206 C ALA A 78 6.278 16.562 -7.649 1.00 0.00 C ATOM 1207 O ALA A 78 6.138 15.347 -7.791 1.00 0.00 O ATOM 1208 CB ALA A 78 5.198 18.183 -9.217 1.00 0.00 C ATOM 0 H ALA A 78 4.712 19.430 -7.104 1.00 0.00 H new ATOM 0 HA ALA A 78 4.185 16.926 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.238 17.421 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.324 18.815 -9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.100 18.794 -9.260 1.00 0.00 H new ATOM 1214 N PHE A 79 7.435 17.123 -7.313 1.00 0.00 N ATOM 1215 CA PHE A 79 8.634 16.325 -7.089 1.00 0.00 C ATOM 1216 C PHE A 79 8.531 15.543 -5.783 1.00 0.00 C ATOM 1217 O PHE A 79 8.577 14.312 -5.777 1.00 0.00 O ATOM 1218 CB PHE A 79 9.872 17.224 -7.061 1.00 0.00 C ATOM 1219 CG PHE A 79 11.038 16.616 -6.335 1.00 0.00 C ATOM 1220 CD1 PHE A 79 11.879 15.719 -6.975 1.00 0.00 C ATOM 1221 CD2 PHE A 79 11.294 16.942 -5.013 1.00 0.00 C ATOM 1222 CE1 PHE A 79 12.953 15.159 -6.310 1.00 0.00 C ATOM 1223 CE2 PHE A 79 12.367 16.384 -4.343 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.196 15.491 -4.992 1.00 0.00 C ATOM 0 H PHE A 79 7.567 18.127 -7.190 1.00 0.00 H new ATOM 0 HA PHE A 79 8.726 15.615 -7.911 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.170 17.451 -8.085 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.613 18.171 -6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.693 15.455 -8.005 1.00 0.00 H new ATOM 0 HD2 PHE A 79 10.648 17.640 -4.500 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.602 14.462 -6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.556 16.647 -3.313 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.033 15.053 -4.470 1.00 0.00 H new ATOM 1234 N LYS A 80 8.392 16.266 -4.677 1.00 0.00 N ATOM 1235 CA LYS A 80 8.281 15.642 -3.363 1.00 0.00 C ATOM 1236 C LYS A 80 7.258 14.511 -3.383 1.00 0.00 C ATOM 1237 O LYS A 80 7.574 13.370 -3.046 1.00 0.00 O ATOM 1238 CB LYS A 80 7.886 16.683 -2.313 1.00 0.00 C ATOM 1239 CG LYS A 80 8.869 17.835 -2.200 1.00 0.00 C ATOM 1240 CD LYS A 80 10.153 17.406 -1.509 1.00 0.00 C ATOM 1241 CE LYS A 80 10.940 18.605 -1.001 1.00 0.00 C ATOM 1242 NZ LYS A 80 10.374 19.141 0.268 1.00 0.00 N ATOM 0 H LYS A 80 8.353 17.285 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 80 9.254 15.224 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.901 17.080 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.799 16.194 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.100 18.217 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.411 18.652 -1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.916 16.745 -0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.768 16.834 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.979 18.317 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.939 19.388 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.937 19.957 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.390 19.439 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.399 18.401 0.999 1.00 0.00 H new ATOM 1256 N GLN A 81 6.032 14.835 -3.781 1.00 0.00 N ATOM 1257 CA GLN A 81 4.963 13.845 -3.845 1.00 0.00 C ATOM 1258 C GLN A 81 5.484 12.515 -4.379 1.00 0.00 C ATOM 1259 O GLN A 81 5.514 11.515 -3.662 1.00 0.00 O ATOM 1260 CB GLN A 81 3.822 14.351 -4.728 1.00 0.00 C ATOM 1261 CG GLN A 81 3.194 15.643 -4.231 1.00 0.00 C ATOM 1262 CD GLN A 81 2.573 15.498 -2.856 1.00 0.00 C ATOM 1263 OE1 GLN A 81 1.255 15.649 -2.783 1.00 0.00 O flip ATOM 1264 NE2 GLN A 81 3.268 15.253 -1.870 1.00 0.00 N flip ATOM 0 H GLN A 81 5.754 15.775 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 81 4.587 13.688 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.198 14.505 -5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.052 13.582 -4.788 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.954 16.424 -4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.430 15.967 -4.938 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.277 15.145 -1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.835 15.158 -0.951 1.00 0.00 H new ATOM 1273 N MET A 82 5.894 12.511 -5.644 1.00 0.00 N ATOM 1274 CA MET A 82 6.415 11.303 -6.274 1.00 0.00 C ATOM 1275 C MET A 82 7.278 10.510 -5.298 1.00 0.00 C ATOM 1276 O MET A 82 6.930 9.394 -4.914 1.00 0.00 O ATOM 1277 CB MET A 82 7.230 11.663 -7.518 1.00 0.00 C ATOM 1278 CG MET A 82 6.404 11.713 -8.792 1.00 0.00 C ATOM 1279 SD MET A 82 7.407 12.014 -10.260 1.00 0.00 S ATOM 1280 CE MET A 82 7.185 13.780 -10.465 1.00 0.00 C ATOM 0 H MET A 82 5.875 13.330 -6.252 1.00 0.00 H new ATOM 0 HA MET A 82 5.569 10.683 -6.569 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.704 12.632 -7.364 1.00 0.00 H new ATOM 0 HB3 MET A 82 8.030 10.933 -7.642 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.868 10.771 -8.910 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.653 12.498 -8.703 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.902 13.994 -11.496 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.400 14.128 -9.793 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.118 14.294 -10.231 1.00 0.00 H new ATOM 1290 N GLU A 83 8.404 11.093 -4.901 1.00 0.00 N ATOM 1291 CA GLU A 83 9.316 10.439 -3.970 1.00 0.00 C ATOM 1292 C GLU A 83 8.559 9.878 -2.770 1.00 0.00 C ATOM 1293 O GLU A 83 8.893 8.810 -2.257 1.00 0.00 O ATOM 1294 CB GLU A 83 10.389 11.421 -3.497 1.00 0.00 C ATOM 1295 CG GLU A 83 11.271 10.872 -2.388 1.00 0.00 C ATOM 1296 CD GLU A 83 12.480 10.126 -2.920 1.00 0.00 C ATOM 1297 OE1 GLU A 83 13.403 10.787 -3.439 1.00 0.00 O ATOM 1298 OE2 GLU A 83 12.502 8.882 -2.817 1.00 0.00 O ATOM 0 H GLU A 83 8.707 12.017 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 83 9.796 9.612 -4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.016 11.697 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.906 12.333 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.605 11.693 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.684 10.203 -1.759 1.00 0.00 H new ATOM 1305 N GLN A 84 7.539 10.607 -2.328 1.00 0.00 N ATOM 1306 CA GLN A 84 6.736 10.183 -1.188 1.00 0.00 C ATOM 1307 C GLN A 84 6.110 8.815 -1.441 1.00 0.00 C ATOM 1308 O GLN A 84 6.008 7.991 -0.531 1.00 0.00 O ATOM 1309 CB GLN A 84 5.641 11.211 -0.898 1.00 0.00 C ATOM 1310 CG GLN A 84 5.204 11.240 0.558 1.00 0.00 C ATOM 1311 CD GLN A 84 6.276 11.788 1.479 1.00 0.00 C ATOM 1312 OE1 GLN A 84 7.036 12.682 1.103 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.343 11.255 2.693 1.00 0.00 N ATOM 0 H GLN A 84 7.250 11.493 -2.742 1.00 0.00 H new ATOM 0 HA GLN A 84 7.393 10.107 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.999 12.201 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.776 10.994 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.305 11.849 0.651 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.940 10.231 0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.693 10.516 2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.044 11.584 3.357 1.00 0.00 H new ATOM 1322 N ILE A 85 5.694 8.581 -2.680 1.00 0.00 N ATOM 1323 CA ILE A 85 5.079 7.312 -3.052 1.00 0.00 C ATOM 1324 C ILE A 85 6.077 6.164 -2.941 1.00 0.00 C ATOM 1325 O ILE A 85 5.751 5.093 -2.431 1.00 0.00 O ATOM 1326 CB ILE A 85 4.522 7.356 -4.488 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.383 8.372 -4.585 1.00 0.00 C ATOM 1328 CG2 ILE A 85 4.046 5.975 -4.913 1.00 0.00 C ATOM 1329 CD1 ILE A 85 2.859 8.560 -5.992 1.00 0.00 C ATOM 0 H ILE A 85 5.771 9.253 -3.444 1.00 0.00 H new ATOM 0 HA ILE A 85 4.257 7.144 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 85 5.319 7.668 -5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.564 8.051 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.730 9.332 -4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.655 6.022 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.881 5.275 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.260 5.637 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.053 9.294 -5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.665 8.912 -6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.481 7.610 -6.369 1.00 0.00 H new ATOM 1341 N SER A 86 7.295 6.397 -3.419 1.00 0.00 N ATOM 1342 CA SER A 86 8.340 5.382 -3.375 1.00 0.00 C ATOM 1343 C SER A 86 8.544 4.874 -1.951 1.00 0.00 C ATOM 1344 O SER A 86 8.538 3.668 -1.705 1.00 0.00 O ATOM 1345 CB SER A 86 9.653 5.948 -3.920 1.00 0.00 C ATOM 1346 OG SER A 86 10.379 6.620 -2.905 1.00 0.00 O ATOM 0 H SER A 86 7.582 7.280 -3.841 1.00 0.00 H new ATOM 0 HA SER A 86 8.026 4.545 -3.999 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.259 5.140 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.444 6.637 -4.739 1.00 0.00 H new ATOM 0 HG SER A 86 9.923 7.456 -2.675 1.00 0.00 H new ATOM 1352 N GLN A 87 8.725 5.803 -1.018 1.00 0.00 N ATOM 1353 CA GLN A 87 8.931 5.449 0.381 1.00 0.00 C ATOM 1354 C GLN A 87 8.042 4.277 0.784 1.00 0.00 C ATOM 1355 O GLN A 87 8.460 3.398 1.537 1.00 0.00 O ATOM 1356 CB GLN A 87 8.646 6.653 1.281 1.00 0.00 C ATOM 1357 CG GLN A 87 9.608 7.812 1.069 1.00 0.00 C ATOM 1358 CD GLN A 87 9.377 8.947 2.047 1.00 0.00 C ATOM 1359 OE1 GLN A 87 8.642 8.801 3.024 1.00 0.00 O ATOM 1360 NE2 GLN A 87 10.007 10.088 1.789 1.00 0.00 N ATOM 0 H GLN A 87 8.733 6.806 -1.205 1.00 0.00 H new ATOM 0 HA GLN A 87 9.972 5.150 0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.628 6.999 1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.695 6.337 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.632 7.453 1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.501 8.187 0.051 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.607 10.165 0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.891 10.887 2.412 1.00 0.00 H new ATOM 1369 N PHE A 88 6.814 4.272 0.277 1.00 0.00 N ATOM 1370 CA PHE A 88 5.864 3.208 0.585 1.00 0.00 C ATOM 1371 C PHE A 88 6.245 1.916 -0.131 1.00 0.00 C ATOM 1372 O PHE A 88 6.280 0.844 0.475 1.00 0.00 O ATOM 1373 CB PHE A 88 4.448 3.628 0.185 1.00 0.00 C ATOM 1374 CG PHE A 88 3.489 2.477 0.082 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.298 1.619 1.152 1.00 0.00 C ATOM 1376 CD2 PHE A 88 2.777 2.254 -1.086 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.416 0.559 1.060 1.00 0.00 C ATOM 1378 CE2 PHE A 88 1.894 1.195 -1.185 1.00 0.00 C ATOM 1379 CZ PHE A 88 1.712 0.348 -0.110 1.00 0.00 C ATOM 0 H PHE A 88 6.453 4.992 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 88 5.892 3.029 1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.069 4.342 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.488 4.144 -0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.845 1.780 2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.914 2.915 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.277 -0.104 1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.347 1.030 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.020 -0.478 -0.184 1.00 0.00 H new ATOM 1389 N LEU A 89 6.530 2.024 -1.424 1.00 0.00 N ATOM 1390 CA LEU A 89 6.908 0.865 -2.225 1.00 0.00 C ATOM 1391 C LEU A 89 8.135 0.174 -1.637 1.00 0.00 C ATOM 1392 O LEU A 89 8.079 -0.996 -1.262 1.00 0.00 O ATOM 1393 CB LEU A 89 7.188 1.286 -3.668 1.00 0.00 C ATOM 1394 CG LEU A 89 6.037 1.976 -4.401 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.499 2.493 -5.755 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.862 1.023 -4.566 1.00 0.00 C ATOM 0 H LEU A 89 6.506 2.903 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 89 6.077 0.160 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.047 1.957 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.474 0.400 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 89 5.709 2.826 -3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.666 2.981 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.308 3.210 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.854 1.659 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.052 1.531 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.177 0.153 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.514 0.701 -3.584 1.00 0.00 H new ATOM 1408 N GLN A 90 9.240 0.908 -1.560 1.00 0.00 N ATOM 1409 CA GLN A 90 10.480 0.366 -1.017 1.00 0.00 C ATOM 1410 C GLN A 90 10.195 -0.606 0.124 1.00 0.00 C ATOM 1411 O GLN A 90 10.698 -1.729 0.135 1.00 0.00 O ATOM 1412 CB GLN A 90 11.383 1.498 -0.524 1.00 0.00 C ATOM 1413 CG GLN A 90 11.739 2.506 -1.605 1.00 0.00 C ATOM 1414 CD GLN A 90 12.593 1.906 -2.705 1.00 0.00 C ATOM 1415 OE1 GLN A 90 12.179 0.965 -3.384 1.00 0.00 O ATOM 1416 NE2 GLN A 90 13.791 2.448 -2.887 1.00 0.00 N ATOM 0 H GLN A 90 9.302 1.879 -1.866 1.00 0.00 H new ATOM 0 HA GLN A 90 10.990 -0.176 -1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.886 2.017 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.301 1.070 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.823 2.906 -2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.270 3.344 -1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.093 3.226 -2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.410 2.086 -3.613 1.00 0.00 H new ATOM 1425 N ALA A 91 9.386 -0.166 1.081 1.00 0.00 N ATOM 1426 CA ALA A 91 9.033 -0.998 2.225 1.00 0.00 C ATOM 1427 C ALA A 91 8.067 -2.106 1.821 1.00 0.00 C ATOM 1428 O ALA A 91 8.227 -3.259 2.223 1.00 0.00 O ATOM 1429 CB ALA A 91 8.428 -0.145 3.331 1.00 0.00 C ATOM 0 H ALA A 91 8.962 0.762 1.087 1.00 0.00 H new ATOM 0 HA ALA A 91 9.944 -1.465 2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.169 -0.779 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.151 0.607 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.530 0.349 2.960 1.00 0.00 H new ATOM 1435 N ALA A 92 7.064 -1.750 1.025 1.00 0.00 N ATOM 1436 CA ALA A 92 6.074 -2.716 0.566 1.00 0.00 C ATOM 1437 C ALA A 92 6.720 -4.064 0.264 1.00 0.00 C ATOM 1438 O ALA A 92 6.314 -5.091 0.806 1.00 0.00 O ATOM 1439 CB ALA A 92 5.353 -2.187 -0.665 1.00 0.00 C ATOM 0 H ALA A 92 6.916 -0.800 0.685 1.00 0.00 H new ATOM 0 HA ALA A 92 5.348 -2.862 1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.616 -2.918 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.850 -1.252 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.075 -2.011 -1.462 1.00 0.00 H new ATOM 1445 N GLU A 93 7.726 -4.052 -0.604 1.00 0.00 N ATOM 1446 CA GLU A 93 8.427 -5.275 -0.978 1.00 0.00 C ATOM 1447 C GLU A 93 9.202 -5.842 0.208 1.00 0.00 C ATOM 1448 O GLU A 93 9.347 -7.057 0.344 1.00 0.00 O ATOM 1449 CB GLU A 93 9.381 -5.007 -2.144 1.00 0.00 C ATOM 1450 CG GLU A 93 10.132 -6.242 -2.612 1.00 0.00 C ATOM 1451 CD GLU A 93 11.186 -5.923 -3.654 1.00 0.00 C ATOM 1452 OE1 GLU A 93 11.486 -4.727 -3.849 1.00 0.00 O ATOM 1453 OE2 GLU A 93 11.712 -6.872 -4.274 1.00 0.00 O ATOM 0 H GLU A 93 8.074 -3.209 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 93 7.683 -6.009 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.814 -4.599 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.101 -4.245 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.606 -6.721 -1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.423 -6.959 -3.025 1.00 0.00 H new ATOM 1460 N ARG A 94 9.698 -4.954 1.063 1.00 0.00 N ATOM 1461 CA ARG A 94 10.460 -5.365 2.236 1.00 0.00 C ATOM 1462 C ARG A 94 9.546 -5.990 3.286 1.00 0.00 C ATOM 1463 O ARG A 94 10.012 -6.643 4.220 1.00 0.00 O ATOM 1464 CB ARG A 94 11.199 -4.167 2.836 1.00 0.00 C ATOM 1465 CG ARG A 94 12.385 -3.706 2.006 1.00 0.00 C ATOM 1466 CD ARG A 94 13.665 -4.415 2.420 1.00 0.00 C ATOM 1467 NE ARG A 94 14.778 -4.103 1.527 1.00 0.00 N ATOM 1468 CZ ARG A 94 15.382 -2.921 1.492 1.00 0.00 C ATOM 1469 NH1 ARG A 94 14.984 -1.945 2.296 1.00 0.00 N ATOM 1470 NH2 ARG A 94 16.388 -2.713 0.652 1.00 0.00 N ATOM 0 H ARG A 94 9.586 -3.945 0.965 1.00 0.00 H new ATOM 0 HA ARG A 94 11.188 -6.112 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.500 -3.338 2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.546 -4.428 3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.188 -3.896 0.951 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.512 -2.629 2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.926 -4.127 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.497 -5.492 2.427 1.00 0.00 H new ATOM 0 HE ARG A 94 15.109 -4.833 0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.212 -2.101 2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.450 -1.038 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.698 -3.462 0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.851 -1.805 0.626 1.00 0.00 H new ATOM 1484 N TYR A 95 8.243 -5.785 3.126 1.00 0.00 N ATOM 1485 CA TYR A 95 7.264 -6.326 4.062 1.00 0.00 C ATOM 1486 C TYR A 95 6.901 -7.763 3.700 1.00 0.00 C ATOM 1487 O TYR A 95 6.923 -8.653 4.549 1.00 0.00 O ATOM 1488 CB TYR A 95 6.005 -5.457 4.073 1.00 0.00 C ATOM 1489 CG TYR A 95 4.796 -6.151 4.659 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.598 -6.203 6.033 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.851 -6.755 3.838 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.495 -6.836 6.573 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.745 -7.390 4.369 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.572 -7.428 5.737 1.00 0.00 C ATOM 1495 OH TYR A 95 1.471 -8.059 6.270 1.00 0.00 O ATOM 0 H TYR A 95 7.840 -5.249 2.358 1.00 0.00 H new ATOM 0 HA TYR A 95 7.709 -6.323 5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.205 -4.550 4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.778 -5.149 3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.319 -5.740 6.691 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.984 -6.727 2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.357 -6.867 7.644 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.020 -7.854 3.717 1.00 0.00 H new ATOM 0 HH TYR A 95 1.474 -9.002 6.004 1.00 0.00 H new ATOM 1505 N GLY A 96 6.568 -7.981 2.432 1.00 0.00 N ATOM 1506 CA GLY A 96 6.205 -9.311 1.978 1.00 0.00 C ATOM 1507 C GLY A 96 5.762 -9.329 0.528 1.00 0.00 C ATOM 1508 O GLY A 96 5.953 -10.322 -0.174 1.00 0.00 O ATOM 0 H GLY A 96 6.543 -7.260 1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.057 -9.979 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.402 -9.699 2.605 1.00 0.00 H new ATOM 1512 N ILE A 97 5.168 -8.228 0.079 1.00 0.00 N ATOM 1513 CA ILE A 97 4.697 -8.122 -1.296 1.00 0.00 C ATOM 1514 C ILE A 97 5.822 -8.404 -2.286 1.00 0.00 C ATOM 1515 O ILE A 97 7.000 -8.334 -1.938 1.00 0.00 O ATOM 1516 CB ILE A 97 4.112 -6.727 -1.584 1.00 0.00 C ATOM 1517 CG1 ILE A 97 3.040 -6.376 -0.551 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.536 -6.674 -2.992 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.462 -4.989 -0.727 1.00 0.00 C ATOM 0 H ILE A 97 5.002 -7.398 0.647 1.00 0.00 H new ATOM 0 HA ILE A 97 3.913 -8.869 -1.420 1.00 0.00 H new ATOM 0 HB ILE A 97 4.913 -5.992 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.234 -7.107 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.469 -6.458 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.126 -5.682 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.324 -6.885 -3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.745 -7.418 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.709 -4.809 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.257 -4.249 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.003 -4.908 -1.712 1.00 0.00 H new ATOM 1531 N ASN A 98 5.449 -8.721 -3.522 1.00 0.00 N ATOM 1532 CA ASN A 98 6.427 -9.013 -4.564 1.00 0.00 C ATOM 1533 C ASN A 98 6.457 -7.901 -5.608 1.00 0.00 C ATOM 1534 O ASN A 98 5.422 -7.328 -5.952 1.00 0.00 O ATOM 1535 CB ASN A 98 6.105 -10.350 -5.235 1.00 0.00 C ATOM 1536 CG ASN A 98 7.344 -11.040 -5.772 1.00 0.00 C ATOM 1537 OD1 ASN A 98 8.425 -10.941 -5.191 1.00 0.00 O ATOM 1538 ND2 ASN A 98 7.192 -11.742 -6.889 1.00 0.00 N ATOM 0 H ASN A 98 4.477 -8.782 -3.826 1.00 0.00 H new ATOM 0 HA ASN A 98 7.410 -9.076 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.611 -11.004 -4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.402 -10.184 -6.051 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.990 -12.227 -7.299 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.277 -11.796 -7.337 1.00 0.00 H new ATOM 1545 N THR A 99 7.651 -7.600 -6.110 1.00 0.00 N ATOM 1546 CA THR A 99 7.816 -6.557 -7.115 1.00 0.00 C ATOM 1547 C THR A 99 6.948 -6.829 -8.338 1.00 0.00 C ATOM 1548 O THR A 99 6.551 -5.905 -9.049 1.00 0.00 O ATOM 1549 CB THR A 99 9.286 -6.434 -7.559 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.723 -7.662 -8.152 1.00 0.00 O ATOM 1551 CG2 THR A 99 10.181 -6.088 -6.379 1.00 0.00 C ATOM 0 H THR A 99 8.518 -8.064 -5.837 1.00 0.00 H new ATOM 0 HA THR A 99 7.504 -5.620 -6.653 1.00 0.00 H new ATOM 0 HB THR A 99 9.354 -5.632 -8.294 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.658 -7.575 -8.433 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.214 -6.007 -6.717 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.864 -5.138 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.107 -6.871 -5.624 1.00 0.00 H new ATOM 1559 N THR A 100 6.656 -8.103 -8.579 1.00 0.00 N ATOM 1560 CA THR A 100 5.835 -8.497 -9.717 1.00 0.00 C ATOM 1561 C THR A 100 4.374 -8.121 -9.497 1.00 0.00 C ATOM 1562 O THR A 100 3.536 -8.306 -10.380 1.00 0.00 O ATOM 1563 CB THR A 100 5.929 -10.012 -9.980 1.00 0.00 C ATOM 1564 OG1 THR A 100 5.502 -10.738 -8.822 1.00 0.00 O ATOM 1565 CG2 THR A 100 7.352 -10.411 -10.339 1.00 0.00 C ATOM 0 H THR A 100 6.976 -8.880 -8.001 1.00 0.00 H new ATOM 0 HA THR A 100 6.219 -7.961 -10.585 1.00 0.00 H new ATOM 0 HB THR A 100 5.278 -10.254 -10.820 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.257 -11.651 -9.080 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.394 -11.485 -10.520 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.663 -9.879 -11.238 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.020 -10.156 -9.516 1.00 0.00 H new ATOM 1573 N ASP A 101 4.075 -7.593 -8.316 1.00 0.00 N ATOM 1574 CA ASP A 101 2.715 -7.188 -7.981 1.00 0.00 C ATOM 1575 C ASP A 101 2.671 -5.723 -7.560 1.00 0.00 C ATOM 1576 O ASP A 101 1.596 -5.157 -7.357 1.00 0.00 O ATOM 1577 CB ASP A 101 2.159 -8.070 -6.861 1.00 0.00 C ATOM 1578 CG ASP A 101 1.505 -9.332 -7.389 1.00 0.00 C ATOM 1579 OD1 ASP A 101 0.485 -9.218 -8.102 1.00 0.00 O ATOM 1580 OD2 ASP A 101 2.012 -10.432 -7.089 1.00 0.00 O ATOM 0 H ASP A 101 4.757 -7.435 -7.574 1.00 0.00 H new ATOM 0 HA ASP A 101 2.097 -7.310 -8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.966 -8.340 -6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.431 -7.502 -6.282 1.00 0.00 H new ATOM 1585 N ILE A 102 3.845 -5.114 -7.431 1.00 0.00 N ATOM 1586 CA ILE A 102 3.941 -3.715 -7.034 1.00 0.00 C ATOM 1587 C ILE A 102 3.706 -2.790 -8.223 1.00 0.00 C ATOM 1588 O ILE A 102 4.145 -3.071 -9.339 1.00 0.00 O ATOM 1589 CB ILE A 102 5.315 -3.398 -6.415 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.400 -3.961 -4.995 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.559 -1.896 -6.410 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.810 -4.006 -4.447 1.00 0.00 C ATOM 0 H ILE A 102 4.743 -5.568 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 102 3.167 -3.545 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 102 6.088 -3.871 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.781 -3.354 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.983 -4.968 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.534 -1.687 -5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.535 -1.520 -7.433 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.783 -1.403 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.795 -4.416 -3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.429 -4.637 -5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.223 -2.998 -4.423 1.00 0.00 H new ATOM 1604 N PHE A 103 3.011 -1.684 -7.977 1.00 0.00 N ATOM 1605 CA PHE A 103 2.719 -0.715 -9.027 1.00 0.00 C ATOM 1606 C PHE A 103 3.891 0.240 -9.228 1.00 0.00 C ATOM 1607 O PHE A 103 4.896 0.163 -8.522 1.00 0.00 O ATOM 1608 CB PHE A 103 1.455 0.076 -8.683 1.00 0.00 C ATOM 1609 CG PHE A 103 1.646 1.050 -7.556 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.643 0.616 -6.240 1.00 0.00 C ATOM 1611 CD2 PHE A 103 1.829 2.399 -7.812 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.817 1.510 -5.201 1.00 0.00 C ATOM 1613 CE2 PHE A 103 2.004 3.298 -6.777 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.999 2.853 -5.469 1.00 0.00 C ATOM 0 H PHE A 103 2.640 -1.437 -7.060 1.00 0.00 H new ATOM 0 HA PHE A 103 2.556 -1.262 -9.956 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.123 0.618 -9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.660 -0.621 -8.419 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.503 -0.433 -6.024 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.835 2.752 -8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.811 1.159 -4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.145 4.347 -6.990 1.00 0.00 H new ATOM 0 HZ PHE A 103 2.137 3.553 -4.658 1.00 0.00 H new ATOM 1624 N GLN A 104 3.754 1.140 -10.197 1.00 0.00 N ATOM 1625 CA GLN A 104 4.802 2.110 -10.492 1.00 0.00 C ATOM 1626 C GLN A 104 4.457 3.478 -9.914 1.00 0.00 C ATOM 1627 O GLN A 104 3.308 3.917 -9.973 1.00 0.00 O ATOM 1628 CB GLN A 104 5.013 2.220 -12.003 1.00 0.00 C ATOM 1629 CG GLN A 104 5.643 0.983 -12.622 1.00 0.00 C ATOM 1630 CD GLN A 104 4.633 -0.117 -12.884 1.00 0.00 C ATOM 1631 OE1 GLN A 104 3.642 0.175 -13.719 1.00 0.00 O flip ATOM 1632 NE2 GLN A 104 4.741 -1.217 -12.341 1.00 0.00 N flip ATOM 0 H GLN A 104 2.928 1.217 -10.791 1.00 0.00 H new ATOM 0 HA GLN A 104 5.725 1.762 -10.027 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.052 2.407 -12.483 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.646 3.083 -12.211 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.128 1.257 -13.559 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.422 0.606 -11.959 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.519 -1.398 -11.706 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.053 -1.947 -12.526 1.00 0.00 H new ATOM 1641 N THR A 105 5.459 4.148 -9.353 1.00 0.00 N ATOM 1642 CA THR A 105 5.261 5.465 -8.762 1.00 0.00 C ATOM 1643 C THR A 105 4.566 6.407 -9.738 1.00 0.00 C ATOM 1644 O THR A 105 3.580 7.058 -9.392 1.00 0.00 O ATOM 1645 CB THR A 105 6.599 6.092 -8.327 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.250 5.245 -7.373 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.379 7.470 -7.721 1.00 0.00 C ATOM 0 H THR A 105 6.416 3.800 -9.296 1.00 0.00 H new ATOM 0 HA THR A 105 4.630 5.326 -7.884 1.00 0.00 H new ATOM 0 HB THR A 105 7.230 6.197 -9.210 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.101 5.650 -7.103 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.338 7.893 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.910 8.121 -8.459 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.732 7.385 -6.848 1.00 0.00 H new ATOM 1655 N VAL A 106 5.084 6.474 -10.960 1.00 0.00 N ATOM 1656 CA VAL A 106 4.511 7.335 -11.988 1.00 0.00 C ATOM 1657 C VAL A 106 3.090 6.906 -12.335 1.00 0.00 C ATOM 1658 O VAL A 106 2.189 7.738 -12.444 1.00 0.00 O ATOM 1659 CB VAL A 106 5.366 7.325 -13.269 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.446 5.921 -13.846 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.802 8.300 -14.292 1.00 0.00 C ATOM 0 H VAL A 106 5.900 5.942 -11.263 1.00 0.00 H new ATOM 0 HA VAL A 106 4.493 8.346 -11.580 1.00 0.00 H new ATOM 0 HB VAL A 106 6.376 7.645 -13.014 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.054 5.933 -14.751 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.898 5.252 -13.114 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.443 5.569 -14.088 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.418 8.281 -15.191 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.782 8.012 -14.545 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.802 9.307 -13.874 1.00 0.00 H new ATOM 1671 N ASP A 107 2.897 5.603 -12.506 1.00 0.00 N ATOM 1672 CA ASP A 107 1.584 5.063 -12.839 1.00 0.00 C ATOM 1673 C ASP A 107 0.502 5.680 -11.958 1.00 0.00 C ATOM 1674 O ASP A 107 -0.570 6.047 -12.439 1.00 0.00 O ATOM 1675 CB ASP A 107 1.581 3.541 -12.682 1.00 0.00 C ATOM 1676 CG ASP A 107 1.982 2.827 -13.958 1.00 0.00 C ATOM 1677 OD1 ASP A 107 3.017 3.201 -14.548 1.00 0.00 O ATOM 1678 OD2 ASP A 107 1.260 1.893 -14.366 1.00 0.00 O ATOM 0 H ASP A 107 3.632 4.901 -12.420 1.00 0.00 H new ATOM 0 HA ASP A 107 1.368 5.314 -13.877 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.265 3.260 -11.881 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.586 3.211 -12.382 1.00 0.00 H new ATOM 1683 N LEU A 108 0.791 5.789 -10.666 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.157 6.361 -9.716 1.00 0.00 C ATOM 1685 C LEU A 108 -0.082 7.884 -9.721 1.00 0.00 C ATOM 1686 O LEU A 108 -1.107 8.566 -9.722 1.00 0.00 O ATOM 1687 CB LEU A 108 0.118 5.830 -8.308 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.626 6.529 -7.170 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.128 6.341 -7.319 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.152 6.005 -5.822 1.00 0.00 C ATOM 0 H LEU A 108 1.674 5.489 -10.252 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.161 6.064 -10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.137 4.770 -8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.188 5.905 -8.116 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.408 7.596 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.641 6.845 -6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.455 6.765 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.366 5.277 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.692 6.514 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.340 4.933 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.916 6.193 -5.714 1.00 0.00 H new ATOM 1702 N TRP A 109 1.137 8.411 -9.727 1.00 0.00 N ATOM 1703 CA TRP A 109 1.345 9.854 -9.735 1.00 0.00 C ATOM 1704 C TRP A 109 0.591 10.507 -10.888 1.00 0.00 C ATOM 1705 O TRP A 109 -0.293 11.336 -10.673 1.00 0.00 O ATOM 1706 CB TRP A 109 2.838 10.174 -9.840 1.00 0.00 C ATOM 1707 CG TRP A 109 3.166 11.595 -9.494 1.00 0.00 C ATOM 1708 CD1 TRP A 109 3.041 12.191 -8.272 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.672 12.598 -10.382 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.439 13.504 -8.347 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.831 13.778 -9.630 1.00 0.00 C ATOM 1712 CE3 TRP A 109 4.008 12.613 -11.739 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.310 14.959 -10.191 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.483 13.786 -12.294 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.631 14.945 -11.521 1.00 0.00 C ATOM 0 H TRP A 109 1.996 7.861 -9.726 1.00 0.00 H new ATOM 0 HA TRP A 109 0.958 10.257 -8.799 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.392 9.509 -9.178 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.176 9.967 -10.855 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.682 11.702 -7.378 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.442 14.167 -7.572 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.898 11.724 -12.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.424 15.854 -9.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.745 13.810 -13.342 1.00 0.00 H new ATOM 0 HH2 TRP A 109 5.006 15.846 -11.984 1.00 0.00 H new ATOM 1726 N GLU A 110 0.946 10.128 -12.112 1.00 0.00 N ATOM 1727 CA GLU A 110 0.301 10.678 -13.299 1.00 0.00 C ATOM 1728 C GLU A 110 -1.020 9.967 -13.579 1.00 0.00 C ATOM 1729 O GLU A 110 -1.886 10.496 -14.275 1.00 0.00 O ATOM 1730 CB GLU A 110 1.226 10.557 -14.511 1.00 0.00 C ATOM 1731 CG GLU A 110 2.129 11.763 -14.711 1.00 0.00 C ATOM 1732 CD GLU A 110 1.448 12.883 -15.473 1.00 0.00 C ATOM 1733 OE1 GLU A 110 1.101 12.670 -16.654 1.00 0.00 O ATOM 1734 OE2 GLU A 110 1.261 13.971 -14.889 1.00 0.00 O ATOM 0 H GLU A 110 1.676 9.443 -12.307 1.00 0.00 H new ATOM 0 HA GLU A 110 0.094 11.732 -13.114 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.844 9.666 -14.398 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.621 10.414 -15.406 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.453 12.135 -13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.026 11.455 -15.249 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.165 8.764 -13.033 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.382 7.999 -13.236 1.00 0.00 C ATOM 1743 C GLY A 111 -2.437 7.351 -14.605 1.00 0.00 C ATOM 1744 O GLY A 111 -3.516 7.143 -15.160 1.00 0.00 O ATOM 0 H GLY A 111 -0.462 8.305 -12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.455 7.228 -12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.244 8.654 -13.112 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.270 7.030 -15.154 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.188 6.402 -16.467 1.00 0.00 C ATOM 1750 C LYS A 112 -2.151 5.223 -16.567 1.00 0.00 C ATOM 1751 O LYS A 112 -3.004 5.181 -17.452 1.00 0.00 O ATOM 1752 CB LYS A 112 0.242 5.931 -16.741 1.00 0.00 C ATOM 1753 CG LYS A 112 1.128 7.001 -17.355 1.00 0.00 C ATOM 1754 CD LYS A 112 1.783 7.862 -16.288 1.00 0.00 C ATOM 1755 CE LYS A 112 2.726 8.887 -16.900 1.00 0.00 C ATOM 1756 NZ LYS A 112 2.039 9.740 -17.908 1.00 0.00 N ATOM 0 H LYS A 112 -0.367 7.195 -14.709 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.470 7.143 -17.215 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.690 5.593 -15.806 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.210 5.070 -17.409 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.897 6.530 -17.967 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.534 7.630 -18.018 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.014 8.374 -15.709 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.334 7.227 -15.595 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.139 9.517 -16.112 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.565 8.374 -17.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.654 10.538 -18.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.832 9.176 -18.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.150 10.103 -17.508 1.00 0.00 H new ATOM 1770 N ASN A 113 -2.008 4.269 -15.653 1.00 0.00 N ATOM 1771 CA ASN A 113 -2.866 3.090 -15.638 1.00 0.00 C ATOM 1772 C ASN A 113 -3.804 3.115 -14.435 1.00 0.00 C ATOM 1773 O ASN A 113 -4.916 2.591 -14.491 1.00 0.00 O ATOM 1774 CB ASN A 113 -2.018 1.817 -15.612 1.00 0.00 C ATOM 1775 CG ASN A 113 -1.616 1.361 -17.002 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -1.777 2.094 -17.978 1.00 0.00 O ATOM 1777 ND2 ASN A 113 -1.088 0.146 -17.096 1.00 0.00 N ATOM 0 H ASN A 113 -1.306 4.289 -14.913 1.00 0.00 H new ATOM 0 HA ASN A 113 -3.469 3.098 -16.546 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -1.122 1.993 -15.017 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.577 1.021 -15.119 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.797 -0.215 -18.005 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.974 -0.426 -16.260 1.00 0.00 H new ATOM 1784 N MET A 114 -3.347 3.728 -13.348 1.00 0.00 N ATOM 1785 CA MET A 114 -4.146 3.822 -12.132 1.00 0.00 C ATOM 1786 C MET A 114 -4.875 2.511 -11.857 1.00 0.00 C ATOM 1787 O MET A 114 -5.955 2.503 -11.267 1.00 0.00 O ATOM 1788 CB MET A 114 -5.155 4.966 -12.247 1.00 0.00 C ATOM 1789 CG MET A 114 -5.448 5.654 -10.923 1.00 0.00 C ATOM 1790 SD MET A 114 -6.770 4.847 -9.999 1.00 0.00 S ATOM 1791 CE MET A 114 -5.866 4.233 -8.580 1.00 0.00 C ATOM 0 H MET A 114 -2.428 4.167 -13.284 1.00 0.00 H new ATOM 0 HA MET A 114 -3.472 4.023 -11.299 1.00 0.00 H new ATOM 0 HB2 MET A 114 -4.776 5.704 -12.954 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.086 4.578 -12.659 1.00 0.00 H new ATOM 0 HG2 MET A 114 -4.542 5.668 -10.317 1.00 0.00 H new ATOM 0 HG3 MET A 114 -5.722 6.692 -11.110 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.569 3.883 -7.824 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.223 3.408 -8.887 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.255 5.034 -8.164 1.00 0.00 H new ATOM 1801 N ALA A 115 -4.277 1.405 -12.288 1.00 0.00 N ATOM 1802 CA ALA A 115 -4.869 0.088 -12.086 1.00 0.00 C ATOM 1803 C ALA A 115 -3.935 -0.818 -11.291 1.00 0.00 C ATOM 1804 O ALA A 115 -4.377 -1.571 -10.423 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.210 -0.548 -13.426 1.00 0.00 C ATOM 0 H ALA A 115 -3.383 1.395 -12.779 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.787 0.214 -11.511 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.651 -1.531 -13.260 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.921 0.084 -13.958 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.302 -0.653 -14.020 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.644 -0.739 -11.593 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.648 -1.554 -10.906 1.00 0.00 C ATOM 1813 C CYS A 116 -1.599 -1.216 -9.420 1.00 0.00 C ATOM 1814 O CYS A 116 -1.451 -2.100 -8.576 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.269 -1.346 -11.534 1.00 0.00 C ATOM 1816 SG CYS A 116 0.111 0.377 -11.929 1.00 0.00 S ATOM 0 H CYS A 116 -2.262 -0.120 -12.308 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.935 -2.600 -11.012 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.490 -1.727 -10.851 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.204 -1.939 -12.446 1.00 0.00 H new ATOM 0 HG CYS A 116 0.573 0.452 -13.142 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.725 0.070 -9.106 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.695 0.525 -7.721 1.00 0.00 C ATOM 1824 C VAL A 117 -2.888 -0.013 -6.940 1.00 0.00 C ATOM 1825 O VAL A 117 -2.764 -0.373 -5.770 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.691 2.063 -7.636 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.876 2.643 -8.393 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.701 2.516 -6.184 1.00 0.00 C ATOM 0 H VAL A 117 -1.849 0.815 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.774 0.142 -7.281 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.778 2.433 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.856 3.730 -8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.819 2.347 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.803 2.268 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.698 3.605 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.596 2.137 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.816 2.131 -5.677 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.043 -0.065 -7.596 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.259 -0.559 -6.962 1.00 0.00 C ATOM 1840 C GLN A 118 -5.029 -1.932 -6.338 1.00 0.00 C ATOM 1841 O GLN A 118 -5.383 -2.167 -5.182 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.397 -0.634 -7.982 1.00 0.00 C ATOM 1843 CG GLN A 118 -6.976 0.723 -8.347 1.00 0.00 C ATOM 1844 CD GLN A 118 -7.985 1.220 -7.330 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -7.862 2.328 -6.808 1.00 0.00 O ATOM 1846 NE2 GLN A 118 -8.990 0.401 -7.044 1.00 0.00 N ATOM 0 H GLN A 118 -4.162 0.229 -8.566 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.535 0.138 -6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.031 -1.119 -8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.192 -1.263 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.166 1.448 -8.434 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.453 0.659 -9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -9.052 -0.509 -7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.700 0.682 -6.367 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.434 -2.835 -7.110 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.158 -4.185 -6.634 1.00 0.00 C ATOM 1857 C ARG A 119 -3.229 -4.155 -5.423 1.00 0.00 C ATOM 1858 O ARG A 119 -3.585 -4.625 -4.341 1.00 0.00 O ATOM 1859 CB ARG A 119 -3.532 -5.025 -7.749 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.812 -6.513 -7.621 1.00 0.00 C ATOM 1861 CD ARG A 119 -5.133 -6.889 -8.274 1.00 0.00 C ATOM 1862 NE ARG A 119 -5.332 -8.336 -8.311 1.00 0.00 N ATOM 1863 CZ ARG A 119 -6.297 -8.927 -9.007 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -7.145 -8.200 -9.721 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -6.414 -10.249 -8.990 1.00 0.00 N ATOM 0 H ARG A 119 -4.134 -2.656 -8.068 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.103 -4.638 -6.335 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -3.907 -4.675 -8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.454 -4.866 -7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.002 -7.078 -8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.833 -6.791 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.953 -6.424 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.162 -6.493 -9.289 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.695 -8.924 -7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.058 -7.184 -9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.885 -8.657 -10.254 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -5.763 -10.812 -8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.155 -10.702 -9.525 1.00 0.00 H new ATOM 1879 N THR A 120 -2.036 -3.599 -5.612 1.00 0.00 N ATOM 1880 CA THR A 120 -1.056 -3.509 -4.537 1.00 0.00 C ATOM 1881 C THR A 120 -1.736 -3.289 -3.191 1.00 0.00 C ATOM 1882 O THR A 120 -1.535 -4.057 -2.249 1.00 0.00 O ATOM 1883 CB THR A 120 -0.053 -2.367 -4.786 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.665 -2.602 -6.003 1.00 0.00 O ATOM 1885 CG2 THR A 120 0.927 -2.245 -3.629 1.00 0.00 C ATOM 0 H THR A 120 -1.726 -3.204 -6.500 1.00 0.00 H new ATOM 0 HA THR A 120 -0.518 -4.457 -4.519 1.00 0.00 H new ATOM 0 HB THR A 120 -0.611 -1.435 -4.868 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.794 -3.566 -6.126 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.625 -1.432 -3.828 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.380 -2.037 -2.709 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.479 -3.179 -3.520 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.541 -2.235 -3.105 1.00 0.00 N ATOM 1894 CA LEU A 121 -3.251 -1.914 -1.872 1.00 0.00 C ATOM 1895 C LEU A 121 -3.934 -3.152 -1.298 1.00 0.00 C ATOM 1896 O LEU A 121 -3.803 -3.450 -0.112 1.00 0.00 O ATOM 1897 CB LEU A 121 -4.288 -0.819 -2.129 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.748 0.501 -2.682 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.868 1.521 -2.816 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -2.638 1.038 -1.790 1.00 0.00 C ATOM 0 H LEU A 121 -2.718 -1.589 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.523 -1.554 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.030 -1.206 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.808 -0.612 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.333 0.316 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.465 2.454 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.629 1.138 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.313 1.703 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.265 1.977 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.028 1.208 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.825 0.314 -1.746 1.00 0.00 H new ATOM 1912 N MET A 122 -4.660 -3.869 -2.150 1.00 0.00 N ATOM 1913 CA MET A 122 -5.359 -5.077 -1.728 1.00 0.00 C ATOM 1914 C MET A 122 -4.389 -6.080 -1.112 1.00 0.00 C ATOM 1915 O MET A 122 -4.649 -6.634 -0.045 1.00 0.00 O ATOM 1916 CB MET A 122 -6.085 -5.713 -2.915 1.00 0.00 C ATOM 1917 CG MET A 122 -7.285 -4.913 -3.394 1.00 0.00 C ATOM 1918 SD MET A 122 -8.536 -4.703 -2.112 1.00 0.00 S ATOM 1919 CE MET A 122 -9.050 -6.400 -1.860 1.00 0.00 C ATOM 0 H MET A 122 -4.779 -3.635 -3.135 1.00 0.00 H new ATOM 0 HA MET A 122 -6.092 -4.797 -0.971 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.383 -5.828 -3.741 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.414 -6.714 -2.635 1.00 0.00 H new ATOM 0 HG2 MET A 122 -6.951 -3.933 -3.734 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.731 -5.414 -4.253 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.104 -6.424 -1.585 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.902 -6.965 -2.780 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.456 -6.845 -1.062 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.271 -6.310 -1.793 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.263 -7.248 -1.313 1.00 0.00 C ATOM 1931 C ASN A 123 -1.832 -6.903 0.109 1.00 0.00 C ATOM 1932 O ASN A 123 -1.959 -7.718 1.023 1.00 0.00 O ATOM 1933 CB ASN A 123 -1.047 -7.241 -2.242 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.344 -7.872 -3.588 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.974 -8.927 -3.666 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -0.890 -7.227 -4.657 1.00 0.00 N ATOM 0 H ASN A 123 -3.040 -5.860 -2.679 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.703 -8.245 -1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.713 -6.214 -2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -0.226 -7.777 -1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.059 -7.604 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.372 -6.355 -4.545 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.323 -5.689 0.290 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.874 -5.234 1.601 1.00 0.00 C ATOM 1945 C LEU A 124 -1.799 -5.746 2.701 1.00 0.00 C ATOM 1946 O LEU A 124 -1.343 -6.279 3.712 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.814 -3.706 1.640 1.00 0.00 C ATOM 1948 CG LEU A 124 0.083 -3.097 2.719 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.549 -3.273 2.356 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.247 -1.625 2.917 1.00 0.00 C ATOM 0 H LEU A 124 -1.211 -5.002 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 124 0.125 -5.635 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.472 -3.351 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.826 -3.326 1.780 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.102 -3.620 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.172 -2.834 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.776 -4.335 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.751 -2.776 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.400 -1.208 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.090 -1.088 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.288 -1.524 3.223 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.102 -5.583 2.495 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.071 -6.036 3.476 1.00 0.00 C ATOM 1964 C GLY A 125 -4.111 -7.546 3.597 1.00 0.00 C ATOM 1965 O GLY A 125 -3.977 -8.093 4.691 1.00 0.00 O ATOM 0 H GLY A 125 -3.504 -5.145 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.830 -5.603 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.060 -5.670 3.201 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.299 -8.224 2.468 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.356 -9.674 2.474 1.00 0.00 C ATOM 1971 C GLY A 126 -3.213 -10.296 3.253 1.00 0.00 C ATOM 1972 O GLY A 126 -3.416 -11.238 4.021 1.00 0.00 O ATOM 0 H GLY A 126 -4.413 -7.795 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.304 -9.996 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.333 -10.040 1.447 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.010 -9.769 3.056 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.830 -10.280 3.745 1.00 0.00 C ATOM 1978 C LEU A 127 -0.929 -10.038 5.248 1.00 0.00 C ATOM 1979 O LEU A 127 -0.687 -10.940 6.049 1.00 0.00 O ATOM 1980 CB LEU A 127 0.434 -9.617 3.193 1.00 0.00 C ATOM 1981 CG LEU A 127 0.939 -10.148 1.851 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.656 -9.052 1.079 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.858 -11.343 2.062 1.00 0.00 C ATOM 0 H LEU A 127 -1.826 -8.989 2.425 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.775 -11.355 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.244 -8.549 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.230 -9.730 3.929 1.00 0.00 H new ATOM 0 HG LEU A 127 0.080 -10.474 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.008 -9.449 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.968 -8.226 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.506 -8.694 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.208 -11.708 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.713 -11.042 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.312 -12.136 2.573 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.290 -8.815 5.622 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.426 -8.456 7.028 1.00 0.00 C ATOM 1997 C ALA A 128 -2.333 -9.439 7.761 1.00 0.00 C ATOM 1998 O ALA A 128 -1.992 -9.930 8.837 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.965 -7.039 7.162 1.00 0.00 C ATOM 0 H ALA A 128 -1.493 -8.056 4.971 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.438 -8.502 7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.061 -6.785 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.278 -6.342 6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.942 -6.974 6.683 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.490 -9.722 7.171 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.446 -10.648 7.768 1.00 0.00 C ATOM 2007 C VAL A 129 -3.834 -12.032 7.944 1.00 0.00 C ATOM 2008 O VAL A 129 -4.410 -12.898 8.601 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.721 -10.767 6.911 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.698 -11.747 7.542 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.367 -9.402 6.725 1.00 0.00 C ATOM 0 H VAL A 129 -3.788 -9.324 6.281 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.710 -10.244 8.746 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.444 -11.149 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.592 -11.818 6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.230 -12.729 7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.972 -11.397 8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.266 -9.505 6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.632 -8.989 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.666 -8.733 6.226 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.661 -12.234 7.352 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.968 -13.514 7.446 1.00 0.00 C ATOM 2023 C ALA A 130 -0.818 -13.443 8.444 1.00 0.00 C ATOM 2024 O ALA A 130 0.026 -14.338 8.497 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.456 -13.938 6.077 1.00 0.00 C ATOM 0 H ALA A 130 -2.171 -11.528 6.802 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.679 -14.259 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.941 -14.895 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.296 -14.038 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.764 -13.186 5.698 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.791 -12.375 9.234 1.00 0.00 N ATOM 2032 CA ARG A 131 0.258 -12.187 10.230 1.00 0.00 C ATOM 2033 C ARG A 131 -0.293 -12.373 11.641 1.00 0.00 C ATOM 2034 O ARG A 131 0.376 -12.930 12.511 1.00 0.00 O ATOM 2035 CB ARG A 131 0.878 -10.796 10.092 1.00 0.00 C ATOM 2036 CG ARG A 131 1.119 -10.376 8.651 1.00 0.00 C ATOM 2037 CD ARG A 131 2.495 -10.805 8.168 1.00 0.00 C ATOM 2038 NE ARG A 131 3.557 -9.978 8.736 1.00 0.00 N ATOM 2039 CZ ARG A 131 4.844 -10.306 8.698 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.226 -11.436 8.121 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.751 -9.501 9.237 1.00 0.00 N ATOM 0 H ARG A 131 -1.483 -11.626 9.204 1.00 0.00 H new ATOM 0 HA ARG A 131 1.028 -12.939 10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.223 -10.067 10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.825 -10.775 10.631 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.354 -10.815 8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.023 -9.294 8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.665 -11.848 8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.532 -10.746 7.080 1.00 0.00 H new ATOM 0 HE ARG A 131 3.296 -9.101 9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.531 -12.056 7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.215 -11.686 8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.460 -8.630 9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 131 6.739 -9.753 9.207 1.00 0.00 H new ATOM 2055 N ASP A 132 -1.516 -11.902 11.859 1.00 0.00 N ATOM 2056 CA ASP A 132 -2.157 -12.016 13.164 1.00 0.00 C ATOM 2057 C ASP A 132 -1.243 -11.492 14.267 1.00 0.00 C ATOM 2058 O ASP A 132 -1.338 -11.915 15.419 1.00 0.00 O ATOM 2059 CB ASP A 132 -2.534 -13.471 13.446 1.00 0.00 C ATOM 2060 CG ASP A 132 -3.769 -13.908 12.683 1.00 0.00 C ATOM 2061 OD1 ASP A 132 -4.852 -13.337 12.933 1.00 0.00 O ATOM 2062 OD2 ASP A 132 -3.654 -14.819 11.837 1.00 0.00 O ATOM 0 H ASP A 132 -2.083 -11.438 11.149 1.00 0.00 H new ATOM 0 HA ASP A 132 -3.063 -11.410 13.149 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -1.698 -14.118 13.180 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -2.707 -13.598 14.515 1.00 0.00 H new ATOM 2067 N ASP A 133 -0.357 -10.570 13.906 1.00 0.00 N ATOM 2068 CA ASP A 133 0.575 -9.988 14.864 1.00 0.00 C ATOM 2069 C ASP A 133 -0.144 -9.032 15.810 1.00 0.00 C ATOM 2070 O ASP A 133 0.200 -8.930 16.987 1.00 0.00 O ATOM 2071 CB ASP A 133 1.699 -9.253 14.133 1.00 0.00 C ATOM 2072 CG ASP A 133 2.705 -10.203 13.513 1.00 0.00 C ATOM 2073 OD1 ASP A 133 3.058 -11.205 14.170 1.00 0.00 O ATOM 2074 OD2 ASP A 133 3.139 -9.944 12.371 1.00 0.00 O ATOM 0 H ASP A 133 -0.265 -10.210 12.956 1.00 0.00 H new ATOM 0 HA ASP A 133 1.005 -10.798 15.453 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.270 -8.623 13.354 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.211 -8.592 14.832 1.00 0.00 H new ATOM 2079 N GLY A 134 -1.145 -8.331 15.286 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.897 -7.390 16.097 1.00 0.00 C ATOM 2081 C GLY A 134 -1.692 -5.954 15.658 1.00 0.00 C ATOM 2082 O GLY A 134 -1.627 -5.047 16.489 1.00 0.00 O ATOM 0 H GLY A 134 -1.449 -8.398 14.315 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.958 -7.635 16.043 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.598 -7.494 17.140 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.588 -5.745 14.351 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.388 -4.408 13.803 1.00 0.00 C ATOM 2088 C LEU A 135 -2.502 -4.047 12.826 1.00 0.00 C ATOM 2089 O LEU A 135 -3.074 -2.959 12.895 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.031 -4.321 13.101 1.00 0.00 C ATOM 2091 CG LEU A 135 1.185 -4.713 13.941 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.439 -4.749 13.081 1.00 0.00 C ATOM 2093 CD2 LEU A 135 1.362 -3.750 15.105 1.00 0.00 C ATOM 0 H LEU A 135 -1.639 -6.484 13.650 1.00 0.00 H new ATOM 0 HA LEU A 135 -1.410 -3.697 14.629 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.059 -4.960 12.218 1.00 0.00 H new ATOM 0 HB3 LEU A 135 0.109 -3.299 12.750 1.00 0.00 H new ATOM 0 HG LEU A 135 1.017 -5.712 14.344 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.294 -5.030 13.696 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.311 -5.479 12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.612 -3.764 12.648 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.232 -4.044 15.692 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.507 -2.740 14.723 1.00 0.00 H new ATOM 0 HD23 LEU A 135 0.474 -3.775 15.736 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.807 -4.967 11.918 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.854 -4.747 10.927 1.00 0.00 C ATOM 2107 C PHE A 136 -5.128 -4.227 11.588 1.00 0.00 C ATOM 2108 O PHE A 136 -5.439 -4.582 12.725 1.00 0.00 O ATOM 2109 CB PHE A 136 -4.152 -6.043 10.171 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.492 -6.048 9.493 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.641 -6.356 10.203 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.603 -5.744 8.146 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.875 -6.361 9.581 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.835 -5.747 7.519 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.973 -6.056 8.238 1.00 0.00 C ATOM 0 H PHE A 136 -2.344 -5.873 11.848 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.498 -3.996 10.221 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.375 -6.205 9.424 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.103 -6.880 10.868 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.572 -6.595 11.254 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.716 -5.502 7.579 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.763 -6.604 10.146 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.908 -5.508 6.468 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.937 -6.059 7.751 1.00 0.00 H new ATOM 2125 N SER A 137 -5.859 -3.383 10.868 1.00 0.00 N ATOM 2126 CA SER A 137 -7.097 -2.811 11.385 1.00 0.00 C ATOM 2127 C SER A 137 -8.213 -2.903 10.349 1.00 0.00 C ATOM 2128 O SER A 137 -7.961 -3.133 9.168 1.00 0.00 O ATOM 2129 CB SER A 137 -6.879 -1.351 11.788 1.00 0.00 C ATOM 2130 OG SER A 137 -6.332 -1.258 13.092 1.00 0.00 O ATOM 0 H SER A 137 -5.616 -3.080 9.925 1.00 0.00 H new ATOM 0 HA SER A 137 -7.393 -3.383 12.264 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.210 -0.870 11.075 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.827 -0.814 11.749 1.00 0.00 H new ATOM 0 HG SER A 137 -6.201 -0.315 13.325 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.450 -2.721 10.803 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.587 -2.787 9.904 1.00 0.00 C ATOM 2138 C GLY A 138 -11.160 -4.186 9.796 1.00 0.00 C ATOM 2139 O GLY A 138 -10.963 -5.015 10.685 1.00 0.00 O ATOM 0 H GLY A 138 -9.684 -2.529 11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.363 -2.106 10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.284 -2.444 8.915 1.00 0.00 H new ATOM 2143 N ASP A 139 -11.873 -4.449 8.707 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.478 -5.758 8.487 1.00 0.00 C ATOM 2145 C ASP A 139 -11.490 -6.708 7.816 1.00 0.00 C ATOM 2146 O ASP A 139 -11.054 -6.492 6.685 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.737 -5.624 7.629 1.00 0.00 C ATOM 2148 CG ASP A 139 -14.740 -6.729 7.896 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -14.502 -7.535 8.819 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -15.762 -6.788 7.181 1.00 0.00 O ATOM 0 H ASP A 139 -12.047 -3.774 7.963 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.751 -6.172 9.458 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -14.204 -4.659 7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.458 -5.637 6.575 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.126 -7.784 8.530 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.185 -8.787 8.024 1.00 0.00 C ATOM 2157 C PRO A 140 -10.776 -9.617 6.890 1.00 0.00 C ATOM 2158 O PRO A 140 -10.093 -10.449 6.295 1.00 0.00 O ATOM 2159 CB PRO A 140 -9.915 -9.668 9.247 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.126 -9.512 10.101 1.00 0.00 C ATOM 2161 CD PRO A 140 -11.606 -8.104 9.884 1.00 0.00 C ATOM 0 HA PRO A 140 -9.289 -8.330 7.604 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -9.764 -10.709 8.960 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.015 -9.349 9.774 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -11.895 -10.234 9.824 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.889 -9.686 11.150 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -12.692 -8.035 9.952 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.196 -7.421 10.628 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.051 -9.385 6.595 1.00 0.00 N ATOM 2170 CA ASN A 141 -12.735 -10.112 5.531 1.00 0.00 C ATOM 2171 C ASN A 141 -12.380 -9.536 4.164 1.00 0.00 C ATOM 2172 O ASN A 141 -12.147 -10.277 3.209 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.250 -10.060 5.741 1.00 0.00 C ATOM 2174 CG ASN A 141 -14.732 -11.099 6.735 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -15.105 -12.209 6.356 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -14.726 -10.742 8.014 1.00 0.00 N ATOM 0 H ASN A 141 -12.632 -8.699 7.078 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.406 -11.151 5.565 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.531 -9.067 6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -14.752 -10.215 4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.039 -11.399 8.728 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -14.408 -9.811 8.282 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.339 -8.211 4.078 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.012 -7.536 2.828 1.00 0.00 C ATOM 2185 C TRP A 142 -10.895 -8.267 2.091 1.00 0.00 C ATOM 2186 O TRP A 142 -11.024 -8.587 0.909 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.599 -6.088 3.099 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.708 -5.249 3.658 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.039 -5.355 3.373 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.580 -4.174 4.595 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.747 -4.411 4.077 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.875 -3.675 4.835 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.499 -3.587 5.257 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.115 -2.616 5.707 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.738 -2.536 6.122 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -13.038 -2.060 6.341 1.00 0.00 C ATOM 0 H TRP A 142 -12.528 -7.583 4.859 1.00 0.00 H new ATOM 0 HA TRP A 142 -12.901 -7.541 2.198 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.761 -6.081 3.796 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.245 -5.639 2.171 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.472 -6.075 2.694 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.758 -4.280 4.041 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.494 -3.948 5.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.116 -2.247 5.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.909 -2.074 6.638 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.192 -1.238 7.024 1.00 0.00 H new ATOM 2207 N PHE A 143 -9.799 -8.528 2.795 1.00 0.00 N ATOM 2208 CA PHE A 143 -8.659 -9.221 2.207 1.00 0.00 C ATOM 2209 C PHE A 143 -8.602 -10.671 2.677 1.00 0.00 C ATOM 2210 O PHE A 143 -8.532 -10.960 3.872 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.357 -8.503 2.569 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.479 -7.007 2.578 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -7.368 -6.282 1.403 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.707 -6.324 3.763 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -7.480 -4.904 1.409 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.820 -4.947 3.775 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.707 -4.236 2.596 1.00 0.00 C ATOM 0 H PHE A 143 -9.676 -8.270 3.774 1.00 0.00 H new ATOM 0 HA PHE A 143 -8.780 -9.214 1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.028 -8.838 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.583 -8.792 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -7.192 -6.799 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -7.797 -6.875 4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -7.390 -4.350 0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -7.996 -4.427 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.796 -3.160 2.603 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.632 -11.606 1.716 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.585 -13.042 2.007 1.00 0.00 C ATOM 2229 C PRO A 144 -7.222 -13.483 2.529 1.00 0.00 C ATOM 2230 O PRO A 144 -6.352 -12.656 2.800 1.00 0.00 O ATOM 2231 CB PRO A 144 -8.872 -13.688 0.649 1.00 0.00 C ATOM 2232 CG PRO A 144 -8.440 -12.674 -0.352 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.714 -11.333 0.271 1.00 0.00 C ATOM 0 HA PRO A 144 -9.293 -13.324 2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -8.321 -14.621 0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.930 -13.926 0.540 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -7.382 -12.785 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -8.989 -12.790 -1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -7.981 -10.588 -0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.695 -10.952 -0.011 1.00 0.00 H new