USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 561 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 38 ASN : amide:sc= -2.98 K(o=-3.1,f=-5.2!) USER MOD Set 1.2: A 42 THR OG1 : rot -150:sc= -0.131 USER MOD Single : A 2 THR OG1 : rot 12:sc= 0.814 USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -1.02 (180deg=-1.26) USER MOD Single : A 5 GLN :FLIP amide:sc= -2.4! C(o=-5.4!,f=-2.4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.46 K(o=-1.5,f=-7.6!) USER MOD Single : A 47 ASN : amide:sc= -1.2! C(o=-1.2!,f=-0.94!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -98:sc= 1.28 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.183) USER MOD Single : A 62 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.49 USER MOD Single : A 71 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.062) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 85 SER OG : rot -1:sc= 1.63 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.669 -13.649 18.544 1.00 0.00 N ATOM 21 CA THR A 2 51.087 -13.308 18.551 1.00 0.00 C ATOM 22 C THR A 2 51.803 -13.970 17.383 1.00 0.00 C ATOM 23 O THR A 2 51.456 -15.082 16.986 1.00 0.00 O ATOM 24 CB THR A 2 51.742 -13.789 19.853 1.00 0.00 C ATOM 25 OG1 THR A 2 50.737 -14.239 20.750 1.00 0.00 O ATOM 26 CG2 THR A 2 52.527 -12.643 20.493 1.00 0.00 C ATOM 0 HA THR A 2 51.170 -12.224 18.467 1.00 0.00 H new ATOM 0 HB THR A 2 52.425 -14.609 19.631 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.885 -14.321 20.273 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.990 -12.990 21.417 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.301 -12.303 19.805 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.850 -11.817 20.714 1.00 0.00 H new ATOM 34 N VAL A 3 52.835 -13.312 16.863 1.00 0.00 N ATOM 35 CA VAL A 3 53.608 -13.875 15.797 1.00 0.00 C ATOM 36 C VAL A 3 55.040 -13.509 15.999 1.00 0.00 C ATOM 37 O VAL A 3 55.370 -12.367 16.309 1.00 0.00 O ATOM 38 CB VAL A 3 53.166 -13.364 14.455 1.00 0.00 C ATOM 39 CG1 VAL A 3 52.037 -14.237 13.947 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.701 -11.913 14.582 1.00 0.00 C ATOM 0 H VAL A 3 53.143 -12.390 17.172 1.00 0.00 H new ATOM 0 HA VAL A 3 53.469 -14.956 15.812 1.00 0.00 H new ATOM 0 HB VAL A 3 53.997 -13.400 13.750 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.708 -13.876 12.973 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.386 -15.265 13.853 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.204 -14.199 14.649 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.381 -11.547 13.606 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.867 -11.858 15.281 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.523 -11.298 14.949 1.00 0.00 H new ATOM 50 N LYS A 4 55.877 -14.486 15.828 1.00 0.00 N ATOM 51 CA LYS A 4 57.277 -14.290 15.993 1.00 0.00 C ATOM 52 C LYS A 4 58.043 -15.278 15.163 1.00 0.00 C ATOM 53 O LYS A 4 57.691 -16.455 15.087 1.00 0.00 O ATOM 54 CB LYS A 4 57.649 -14.436 17.449 1.00 0.00 C ATOM 55 CG LYS A 4 57.134 -15.781 18.001 1.00 0.00 C ATOM 56 CD LYS A 4 55.926 -15.566 18.937 1.00 0.00 C ATOM 57 CE LYS A 4 54.607 -15.538 18.141 1.00 0.00 C ATOM 58 NZ LYS A 4 53.629 -16.460 18.786 1.00 0.00 N ATOM 0 H LYS A 4 55.607 -15.436 15.571 1.00 0.00 H new ATOM 0 HA LYS A 4 57.533 -13.284 15.660 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.732 -14.379 17.562 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.225 -13.613 18.024 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.848 -16.432 17.175 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.933 -16.286 18.543 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.890 -16.364 19.679 1.00 0.00 H new ATOM 0 HD3 LYS A 4 56.046 -14.629 19.482 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.206 -14.525 18.113 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.784 -15.840 17.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.675 -16.264 18.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.886 -17.444 18.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.643 -16.316 19.816 1.00 0.00 H new ATOM 72 N GLN A 5 59.072 -14.791 14.511 1.00 0.00 N ATOM 73 CA GLN A 5 59.855 -15.648 13.650 1.00 0.00 C ATOM 74 C GLN A 5 61.326 -15.278 13.671 1.00 0.00 C ATOM 75 O GLN A 5 61.703 -14.137 13.926 1.00 0.00 O ATOM 76 CB GLN A 5 59.317 -15.519 12.241 1.00 0.00 C ATOM 77 CG GLN A 5 57.789 -15.430 12.295 1.00 0.00 C ATOM 78 CD GLN A 5 57.211 -15.481 10.885 1.00 0.00 C ATOM 79 OE1 GLN A 5 56.988 -14.368 10.241 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.957 -16.562 10.355 1.00 0.00 N flip ATOM 0 H GLN A 5 59.384 -13.821 14.558 1.00 0.00 H new ATOM 0 HA GLN A 5 59.774 -16.674 14.008 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.729 -14.631 11.761 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.623 -16.376 11.642 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.390 -16.252 12.890 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.488 -14.505 12.787 1.00 0.00 H new ATOM 0 HE21 GLN A 5 57.132 -17.431 10.860 1.00 0.00 H new ATOM 0 HE22 GLN A 5 56.572 -16.589 9.411 1.00 0.00 H new ATOM 89 N THR A 6 62.150 -16.258 13.395 1.00 0.00 N ATOM 90 CA THR A 6 63.573 -16.060 13.366 1.00 0.00 C ATOM 91 C THR A 6 64.059 -15.977 11.927 1.00 0.00 C ATOM 92 O THR A 6 64.131 -16.989 11.231 1.00 0.00 O ATOM 93 CB THR A 6 64.251 -17.227 14.081 1.00 0.00 C ATOM 94 OG1 THR A 6 63.360 -17.770 15.045 1.00 0.00 O ATOM 95 CG2 THR A 6 65.508 -16.730 14.774 1.00 0.00 C ATOM 0 H THR A 6 61.852 -17.211 13.185 1.00 0.00 H new ATOM 0 HA THR A 6 63.823 -15.127 13.870 1.00 0.00 H new ATOM 0 HB THR A 6 64.516 -17.997 13.357 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.792 -18.520 15.504 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.994 -17.561 15.285 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.190 -16.310 14.034 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.243 -15.962 15.501 1.00 0.00 H new ATOM 103 N VAL A 7 64.398 -14.770 11.483 1.00 0.00 N ATOM 104 CA VAL A 7 64.881 -14.597 10.115 1.00 0.00 C ATOM 105 C VAL A 7 66.407 -14.538 10.096 1.00 0.00 C ATOM 106 O VAL A 7 67.012 -13.628 10.659 1.00 0.00 O ATOM 107 CB VAL A 7 64.309 -13.306 9.493 1.00 0.00 C ATOM 108 CG1 VAL A 7 64.164 -13.464 7.965 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.940 -12.988 10.118 1.00 0.00 C ATOM 0 H VAL A 7 64.350 -13.914 12.036 1.00 0.00 H new ATOM 0 HA VAL A 7 64.545 -15.451 9.527 1.00 0.00 H new ATOM 0 HB VAL A 7 64.997 -12.485 9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 7 63.759 -12.545 7.541 1.00 0.00 H new ATOM 0 HG12 VAL A 7 65.141 -13.667 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.489 -14.292 7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.541 -12.075 9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 7 62.253 -13.813 9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 7 63.054 -12.850 11.193 1.00 0.00 H new ATOM 119 N GLU A 8 67.023 -15.503 9.427 1.00 0.00 N ATOM 120 CA GLU A 8 68.476 -15.533 9.326 1.00 0.00 C ATOM 121 C GLU A 8 68.917 -14.590 8.220 1.00 0.00 C ATOM 122 O GLU A 8 68.578 -14.803 7.056 1.00 0.00 O ATOM 123 CB GLU A 8 68.953 -16.953 9.012 1.00 0.00 C ATOM 124 CG GLU A 8 68.484 -17.905 10.114 1.00 0.00 C ATOM 125 CD GLU A 8 69.021 -19.308 9.854 1.00 0.00 C ATOM 126 OE1 GLU A 8 69.878 -19.741 10.606 1.00 0.00 O ATOM 127 OE2 GLU A 8 68.567 -19.929 8.907 1.00 0.00 O ATOM 0 H GLU A 8 66.546 -16.268 8.951 1.00 0.00 H new ATOM 0 HA GLU A 8 68.910 -15.218 10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 8 68.560 -17.275 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 8 70.040 -16.974 8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.829 -17.549 11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.395 -17.924 10.150 1.00 0.00 H new ATOM 134 N ILE A 9 69.662 -13.538 8.563 1.00 0.00 N ATOM 135 CA ILE A 9 70.092 -12.605 7.527 1.00 0.00 C ATOM 136 C ILE A 9 71.425 -13.024 6.948 1.00 0.00 C ATOM 137 O ILE A 9 72.307 -13.501 7.662 1.00 0.00 O ATOM 138 CB ILE A 9 70.251 -11.157 8.037 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.645 -10.950 9.440 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.604 -10.203 7.041 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.366 -10.122 9.372 1.00 0.00 C ATOM 0 H ILE A 9 69.969 -13.317 9.510 1.00 0.00 H new ATOM 0 HA ILE A 9 69.303 -12.630 6.775 1.00 0.00 H new ATOM 0 HB ILE A 9 71.318 -10.951 8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.431 -11.918 9.893 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.371 -10.451 10.082 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.713 -9.178 7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.090 -10.305 6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.545 -10.442 6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.962 -9.993 10.376 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.587 -9.145 8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.633 -10.635 8.749 1.00 0.00 H new ATOM 311 N ALA A 20 62.389 -1.352 8.033 1.00 0.00 N ATOM 312 CA ALA A 20 62.436 -1.242 9.483 1.00 0.00 C ATOM 313 C ALA A 20 61.600 -0.061 9.954 1.00 0.00 C ATOM 314 O ALA A 20 60.948 -0.113 10.995 1.00 0.00 O ATOM 315 CB ALA A 20 63.888 -1.050 9.920 1.00 0.00 C ATOM 0 HA ALA A 20 62.030 -2.152 9.925 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.933 -0.966 11.006 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.481 -1.905 9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.286 -0.141 9.469 1.00 0.00 H new ATOM 321 N MET A 21 61.647 1.005 9.177 1.00 0.00 N ATOM 322 CA MET A 21 60.912 2.220 9.500 1.00 0.00 C ATOM 323 C MET A 21 59.427 2.078 9.159 1.00 0.00 C ATOM 324 O MET A 21 58.580 2.651 9.838 1.00 0.00 O ATOM 325 CB MET A 21 61.519 3.404 8.746 1.00 0.00 C ATOM 326 CG MET A 21 62.940 3.658 9.264 1.00 0.00 C ATOM 327 SD MET A 21 63.569 5.207 8.568 1.00 0.00 S ATOM 328 CE MET A 21 62.968 6.304 9.875 1.00 0.00 C ATOM 0 H MET A 21 62.188 1.057 8.314 1.00 0.00 H new ATOM 0 HA MET A 21 60.991 2.395 10.573 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.541 3.196 7.676 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.904 4.293 8.886 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.938 3.711 10.353 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.593 2.831 8.986 1.00 0.00 H new ATOM 0 HE1 MET A 21 63.250 7.332 9.646 1.00 0.00 H new ATOM 0 HE2 MET A 21 61.882 6.232 9.940 1.00 0.00 H new ATOM 0 HE3 MET A 21 63.409 6.011 10.828 1.00 0.00 H new ATOM 338 N LYS A 22 59.103 1.309 8.120 1.00 0.00 N ATOM 339 CA LYS A 22 57.697 1.122 7.759 1.00 0.00 C ATOM 340 C LYS A 22 56.958 0.551 8.948 1.00 0.00 C ATOM 341 O LYS A 22 55.953 1.092 9.387 1.00 0.00 O ATOM 342 CB LYS A 22 57.548 0.166 6.577 1.00 0.00 C ATOM 343 CG LYS A 22 58.543 0.546 5.492 1.00 0.00 C ATOM 344 CD LYS A 22 58.173 1.913 4.882 1.00 0.00 C ATOM 345 CE LYS A 22 59.160 2.990 5.349 1.00 0.00 C ATOM 346 NZ LYS A 22 58.546 4.336 5.168 1.00 0.00 N ATOM 0 H LYS A 22 59.773 0.818 7.528 1.00 0.00 H new ATOM 0 HA LYS A 22 57.284 2.089 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.721 -0.860 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.532 0.210 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.549 0.587 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.552 -0.217 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.183 1.848 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.160 2.187 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.417 2.833 6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.087 2.921 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.214 5.068 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 58.322 4.483 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.673 4.398 5.730 1.00 0.00 H new ATOM 360 N LEU A 23 57.504 -0.529 9.484 1.00 0.00 N ATOM 361 CA LEU A 23 56.944 -1.184 10.648 1.00 0.00 C ATOM 362 C LEU A 23 56.311 -0.152 11.558 1.00 0.00 C ATOM 363 O LEU A 23 55.232 -0.357 12.106 1.00 0.00 O ATOM 364 CB LEU A 23 58.101 -1.824 11.407 1.00 0.00 C ATOM 365 CG LEU A 23 58.262 -3.302 11.075 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.061 -3.468 9.777 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.035 -3.940 12.216 1.00 0.00 C ATOM 0 H LEU A 23 58.348 -0.974 9.122 1.00 0.00 H new ATOM 0 HA LEU A 23 56.197 -1.917 10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.025 -1.297 11.168 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.937 -1.710 12.479 1.00 0.00 H new ATOM 0 HG LEU A 23 57.286 -3.769 10.945 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.170 -4.528 9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.535 -2.974 8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.047 -3.020 9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.171 -5.002 12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.010 -3.461 12.308 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.480 -3.815 13.146 1.00 0.00 H new ATOM 379 N PHE A 24 57.025 0.948 11.715 1.00 0.00 N ATOM 380 CA PHE A 24 56.591 2.035 12.567 1.00 0.00 C ATOM 381 C PHE A 24 55.447 2.817 11.914 1.00 0.00 C ATOM 382 O PHE A 24 54.318 2.835 12.412 1.00 0.00 O ATOM 383 CB PHE A 24 57.775 2.974 12.782 1.00 0.00 C ATOM 384 CG PHE A 24 58.937 2.262 13.461 1.00 0.00 C ATOM 385 CD1 PHE A 24 59.706 2.963 14.391 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.269 0.929 13.155 1.00 0.00 C ATOM 387 CE1 PHE A 24 60.791 2.352 15.017 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.356 0.318 13.786 1.00 0.00 C ATOM 389 CZ PHE A 24 61.117 1.031 14.717 1.00 0.00 C ATOM 0 H PHE A 24 57.921 1.111 11.255 1.00 0.00 H new ATOM 0 HA PHE A 24 56.235 1.629 13.514 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.103 3.373 11.822 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.462 3.823 13.390 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.458 3.987 14.628 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.684 0.379 12.433 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.380 2.903 15.735 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.608 -0.706 13.554 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.957 0.558 15.204 1.00 0.00 H new ATOM 399 N GLU A 25 55.740 3.438 10.779 1.00 0.00 N ATOM 400 CA GLU A 25 54.724 4.198 10.059 1.00 0.00 C ATOM 401 C GLU A 25 53.630 3.251 9.610 1.00 0.00 C ATOM 402 O GLU A 25 52.479 3.642 9.414 1.00 0.00 O ATOM 403 CB GLU A 25 55.342 4.897 8.846 1.00 0.00 C ATOM 404 CG GLU A 25 56.125 6.129 9.308 1.00 0.00 C ATOM 405 CD GLU A 25 57.100 5.745 10.416 1.00 0.00 C ATOM 406 OE1 GLU A 25 56.674 5.682 11.558 1.00 0.00 O ATOM 407 OE2 GLU A 25 58.259 5.519 10.106 1.00 0.00 O ATOM 0 H GLU A 25 56.661 3.432 10.340 1.00 0.00 H new ATOM 0 HA GLU A 25 54.306 4.960 10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.003 4.211 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.560 5.192 8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.669 6.560 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 25 55.436 6.893 9.668 1.00 0.00 H new ATOM 414 N LEU A 26 54.012 1.993 9.473 1.00 0.00 N ATOM 415 CA LEU A 26 53.093 0.952 9.075 1.00 0.00 C ATOM 416 C LEU A 26 52.361 0.454 10.313 1.00 0.00 C ATOM 417 O LEU A 26 51.237 -0.034 10.233 1.00 0.00 O ATOM 418 CB LEU A 26 53.883 -0.169 8.390 1.00 0.00 C ATOM 419 CG LEU A 26 52.976 -1.318 7.987 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.661 -2.152 9.223 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.685 -0.785 7.351 1.00 0.00 C ATOM 0 H LEU A 26 54.966 1.670 9.635 1.00 0.00 H new ATOM 0 HA LEU A 26 52.353 1.325 8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.387 0.225 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.658 -0.534 9.064 1.00 0.00 H new ATOM 0 HG LEU A 26 53.479 -1.940 7.247 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.010 -2.981 8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.587 -2.543 9.644 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.160 -1.529 9.964 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.046 -1.622 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.160 -0.154 8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.931 -0.200 6.465 1.00 0.00 H new ATOM 433 N MET A 27 52.988 0.633 11.475 1.00 0.00 N ATOM 434 CA MET A 27 52.349 0.247 12.718 1.00 0.00 C ATOM 435 C MET A 27 51.046 1.014 12.777 1.00 0.00 C ATOM 436 O MET A 27 50.040 0.543 13.303 1.00 0.00 O ATOM 437 CB MET A 27 53.238 0.585 13.931 1.00 0.00 C ATOM 438 CG MET A 27 52.810 1.915 14.559 1.00 0.00 C ATOM 439 SD MET A 27 54.062 2.446 15.757 1.00 0.00 S ATOM 440 CE MET A 27 53.163 1.983 17.259 1.00 0.00 C ATOM 0 H MET A 27 53.920 1.035 11.575 1.00 0.00 H new ATOM 0 HA MET A 27 52.179 -0.829 12.752 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.170 -0.212 14.672 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.281 0.643 13.620 1.00 0.00 H new ATOM 0 HG2 MET A 27 52.687 2.672 13.785 1.00 0.00 H new ATOM 0 HG3 MET A 27 51.844 1.803 15.051 1.00 0.00 H new ATOM 0 HE1 MET A 27 53.765 2.228 18.134 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.221 2.530 17.302 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.961 0.912 17.246 1.00 0.00 H new ATOM 450 N GLN A 28 51.083 2.205 12.183 1.00 0.00 N ATOM 451 CA GLN A 28 49.898 3.039 12.120 1.00 0.00 C ATOM 452 C GLN A 28 48.870 2.338 11.246 1.00 0.00 C ATOM 453 O GLN A 28 47.682 2.663 11.268 1.00 0.00 O ATOM 454 CB GLN A 28 50.239 4.410 11.532 1.00 0.00 C ATOM 455 CG GLN A 28 51.467 4.980 12.245 1.00 0.00 C ATOM 456 CD GLN A 28 51.162 5.188 13.724 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.090 4.224 14.486 1.00 0.00 O ATOM 458 NE2 GLN A 28 50.978 6.397 14.179 1.00 0.00 N ATOM 0 H GLN A 28 51.913 2.605 11.745 1.00 0.00 H new ATOM 0 HA GLN A 28 49.500 3.192 13.123 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.435 4.321 10.463 1.00 0.00 H new ATOM 0 HB3 GLN A 28 49.392 5.087 11.646 1.00 0.00 H new ATOM 0 HG2 GLN A 28 52.312 4.300 12.132 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.756 5.927 11.788 1.00 0.00 H new ATOM 0 HE21 GLN A 28 51.038 7.195 13.546 1.00 0.00 H new ATOM 0 HE22 GLN A 28 50.774 6.544 15.168 1.00 0.00 H new ATOM 467 N GLY A 29 49.350 1.350 10.489 1.00 0.00 N ATOM 468 CA GLY A 29 48.480 0.566 9.614 1.00 0.00 C ATOM 469 C GLY A 29 48.009 -0.685 10.342 1.00 0.00 C ATOM 470 O GLY A 29 46.815 -0.982 10.387 1.00 0.00 O ATOM 0 H GLY A 29 50.332 1.075 10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.622 1.165 9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.016 0.289 8.706 1.00 0.00 H new ATOM 474 N PHE A 30 48.958 -1.393 10.946 1.00 0.00 N ATOM 475 CA PHE A 30 48.641 -2.591 11.715 1.00 0.00 C ATOM 476 C PHE A 30 48.786 -2.284 13.195 1.00 0.00 C ATOM 477 O PHE A 30 49.764 -1.665 13.610 1.00 0.00 O ATOM 478 CB PHE A 30 49.587 -3.746 11.399 1.00 0.00 C ATOM 479 CG PHE A 30 49.712 -4.003 9.914 1.00 0.00 C ATOM 480 CD1 PHE A 30 50.960 -4.325 9.420 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.617 -3.944 9.049 1.00 0.00 C ATOM 482 CE1 PHE A 30 51.158 -4.590 8.070 1.00 0.00 C ATOM 483 CE2 PHE A 30 48.805 -4.208 7.682 1.00 0.00 C ATOM 484 CZ PHE A 30 50.081 -4.531 7.192 1.00 0.00 C ATOM 0 H PHE A 30 49.950 -1.159 10.918 1.00 0.00 H new ATOM 0 HA PHE A 30 47.624 -2.882 11.453 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.572 -3.527 11.811 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.229 -4.650 11.892 1.00 0.00 H new ATOM 0 HD1 PHE A 30 51.800 -4.372 10.097 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.636 -3.698 9.427 1.00 0.00 H new ATOM 0 HE1 PHE A 30 52.143 -4.840 7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.965 -4.162 7.005 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.225 -4.732 6.141 1.00 0.00 H new ATOM 494 N ASP A 31 47.851 -2.759 14.000 1.00 0.00 N ATOM 495 CA ASP A 31 47.944 -2.560 15.425 1.00 0.00 C ATOM 496 C ASP A 31 48.648 -3.770 15.974 1.00 0.00 C ATOM 497 O ASP A 31 48.060 -4.844 16.082 1.00 0.00 O ATOM 498 CB ASP A 31 46.557 -2.406 16.046 1.00 0.00 C ATOM 499 CG ASP A 31 46.672 -2.290 17.562 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.641 -2.211 18.210 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.789 -2.283 18.053 1.00 0.00 O ATOM 0 H ASP A 31 47.030 -3.279 13.690 1.00 0.00 H new ATOM 0 HA ASP A 31 48.491 -1.647 15.660 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.065 -1.521 15.642 1.00 0.00 H new ATOM 0 HB3 ASP A 31 45.936 -3.263 15.785 1.00 0.00 H new ATOM 506 N ALA A 32 49.926 -3.616 16.258 1.00 0.00 N ATOM 507 CA ALA A 32 50.693 -4.721 16.721 1.00 0.00 C ATOM 508 C ALA A 32 52.038 -4.244 17.199 1.00 0.00 C ATOM 509 O ALA A 32 52.559 -3.228 16.739 1.00 0.00 O ATOM 510 CB ALA A 32 50.862 -5.713 15.589 1.00 0.00 C ATOM 0 H ALA A 32 50.439 -2.738 16.173 1.00 0.00 H new ATOM 0 HA ALA A 32 50.180 -5.204 17.553 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.449 -6.564 15.935 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.882 -6.059 15.259 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.376 -5.232 14.757 1.00 0.00 H new ATOM 516 N GLU A 33 52.583 -4.978 18.132 1.00 0.00 N ATOM 517 CA GLU A 33 53.854 -4.645 18.701 1.00 0.00 C ATOM 518 C GLU A 33 54.918 -5.566 18.158 1.00 0.00 C ATOM 519 O GLU A 33 55.198 -6.629 18.709 1.00 0.00 O ATOM 520 CB GLU A 33 53.726 -4.777 20.193 1.00 0.00 C ATOM 521 CG GLU A 33 54.326 -3.549 20.858 1.00 0.00 C ATOM 522 CD GLU A 33 54.381 -3.738 22.370 1.00 0.00 C ATOM 523 OE1 GLU A 33 55.456 -3.593 22.927 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.345 -4.026 22.948 1.00 0.00 O ATOM 0 H GLU A 33 52.157 -5.821 18.516 1.00 0.00 H new ATOM 0 HA GLU A 33 54.146 -3.627 18.444 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.677 -4.880 20.472 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.237 -5.677 20.535 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.329 -3.371 20.470 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.730 -2.669 20.616 1.00 0.00 H new ATOM 531 N VAL A 34 55.491 -5.133 17.062 1.00 0.00 N ATOM 532 CA VAL A 34 56.526 -5.904 16.392 1.00 0.00 C ATOM 533 C VAL A 34 57.857 -5.734 17.106 1.00 0.00 C ATOM 534 O VAL A 34 58.355 -4.617 17.233 1.00 0.00 O ATOM 535 CB VAL A 34 56.701 -5.436 14.940 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.279 -6.575 14.087 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.361 -4.970 14.363 1.00 0.00 C ATOM 0 H VAL A 34 55.262 -4.249 16.609 1.00 0.00 H new ATOM 0 HA VAL A 34 56.219 -6.950 16.409 1.00 0.00 H new ATOM 0 HB VAL A 34 57.395 -4.595 14.925 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.400 -6.234 13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.248 -6.873 14.487 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.600 -7.427 14.109 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.503 -4.642 13.333 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.648 -5.795 14.386 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.977 -4.142 14.958 1.00 0.00 H new ATOM 547 N LEU A 35 58.442 -6.837 17.567 1.00 0.00 N ATOM 548 CA LEU A 35 59.723 -6.751 18.251 1.00 0.00 C ATOM 549 C LEU A 35 60.821 -7.405 17.410 1.00 0.00 C ATOM 550 O LEU A 35 60.748 -8.581 17.056 1.00 0.00 O ATOM 551 CB LEU A 35 59.608 -7.406 19.635 1.00 0.00 C ATOM 552 CG LEU A 35 60.985 -7.634 20.292 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.706 -8.833 19.653 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.851 -6.374 20.167 1.00 0.00 C ATOM 0 H LEU A 35 58.058 -7.778 17.481 1.00 0.00 H new ATOM 0 HA LEU A 35 59.996 -5.704 18.387 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.999 -6.776 20.283 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.091 -8.361 19.541 1.00 0.00 H new ATOM 0 HG LEU A 35 60.824 -7.851 21.348 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.674 -8.973 20.133 1.00 0.00 H new ATOM 0 HD12 LEU A 35 61.103 -9.732 19.783 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.852 -8.645 18.589 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.819 -6.550 20.635 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.995 -6.135 19.113 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.354 -5.540 20.663 1.00 0.00 H new ATOM 566 N LEU A 36 61.823 -6.601 17.084 1.00 0.00 N ATOM 567 CA LEU A 36 62.961 -7.022 16.270 1.00 0.00 C ATOM 568 C LEU A 36 64.199 -7.237 17.136 1.00 0.00 C ATOM 569 O LEU A 36 64.663 -6.314 17.795 1.00 0.00 O ATOM 570 CB LEU A 36 63.234 -5.916 15.266 1.00 0.00 C ATOM 571 CG LEU A 36 62.248 -6.041 14.108 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.819 -5.898 14.643 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.521 -4.937 13.097 1.00 0.00 C ATOM 0 H LEU A 36 61.872 -5.626 17.379 1.00 0.00 H new ATOM 0 HA LEU A 36 62.733 -7.964 15.771 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.133 -4.941 15.743 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.258 -5.986 14.898 1.00 0.00 H new ATOM 0 HG LEU A 36 62.363 -7.013 13.629 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.111 -5.987 13.819 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.624 -6.682 15.375 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.704 -4.923 15.117 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.819 -5.022 12.267 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.400 -3.966 13.577 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.540 -5.031 12.721 1.00 0.00 H new ATOM 585 N ARG A 37 64.734 -8.455 17.136 1.00 0.00 N ATOM 586 CA ARG A 37 65.911 -8.748 17.921 1.00 0.00 C ATOM 587 C ARG A 37 66.777 -9.786 17.255 1.00 0.00 C ATOM 588 O ARG A 37 66.309 -10.583 16.451 1.00 0.00 O ATOM 589 CB ARG A 37 65.514 -9.288 19.283 1.00 0.00 C ATOM 590 CG ARG A 37 64.718 -10.576 19.118 1.00 0.00 C ATOM 591 CD ARG A 37 64.244 -11.080 20.487 1.00 0.00 C ATOM 592 NE ARG A 37 62.948 -11.736 20.362 1.00 0.00 N ATOM 593 CZ ARG A 37 62.479 -12.521 21.326 1.00 0.00 C ATOM 594 NH1 ARG A 37 61.318 -13.100 21.191 1.00 0.00 N ATOM 595 NH2 ARG A 37 63.182 -12.712 22.409 1.00 0.00 N ATOM 0 H ARG A 37 64.369 -9.244 16.603 1.00 0.00 H new ATOM 0 HA ARG A 37 66.467 -7.815 18.019 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.404 -9.475 19.883 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.918 -8.548 19.818 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.860 -10.402 18.469 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.334 -11.335 18.636 1.00 0.00 H new ATOM 0 HD2 ARG A 37 64.974 -11.777 20.899 1.00 0.00 H new ATOM 0 HD3 ARG A 37 64.171 -10.246 21.184 1.00 0.00 H new ATOM 0 HE ARG A 37 62.392 -11.590 19.520 1.00 0.00 H new ATOM 0 HH11 ARG A 37 60.769 -12.950 20.345 1.00 0.00 H new ATOM 0 HH12 ARG A 37 60.959 -13.702 21.932 1.00 0.00 H new ATOM 0 HH21 ARG A 37 64.090 -12.259 22.514 1.00 0.00 H new ATOM 0 HH22 ARG A 37 62.824 -13.314 23.150 1.00 0.00 H new ATOM 609 N ASN A 38 68.031 -9.806 17.656 1.00 0.00 N ATOM 610 CA ASN A 38 68.966 -10.790 17.149 1.00 0.00 C ATOM 611 C ASN A 38 69.187 -11.843 18.209 1.00 0.00 C ATOM 612 O ASN A 38 69.427 -11.514 19.376 1.00 0.00 O ATOM 613 CB ASN A 38 70.328 -10.186 16.838 1.00 0.00 C ATOM 614 CG ASN A 38 70.263 -9.181 15.709 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.475 -9.327 14.779 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.083 -8.172 15.728 1.00 0.00 N ATOM 0 H ASN A 38 68.427 -9.152 18.332 1.00 0.00 H new ATOM 0 HA ASN A 38 68.538 -11.199 16.234 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.721 -9.701 17.732 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.025 -10.982 16.574 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.075 -7.494 14.966 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.734 -8.059 16.505 1.00 0.00 H new ATOM 623 N ASP A 39 69.148 -13.100 17.805 1.00 0.00 N ATOM 624 CA ASP A 39 69.386 -14.179 18.761 1.00 0.00 C ATOM 625 C ASP A 39 70.708 -13.923 19.472 1.00 0.00 C ATOM 626 O ASP A 39 71.085 -14.635 20.403 1.00 0.00 O ATOM 627 CB ASP A 39 69.429 -15.536 18.064 1.00 0.00 C ATOM 628 CG ASP A 39 69.668 -16.639 19.090 1.00 0.00 C ATOM 629 OD1 ASP A 39 69.384 -16.409 20.254 1.00 0.00 O ATOM 630 OD2 ASP A 39 70.132 -17.696 18.698 1.00 0.00 O ATOM 0 H ASP A 39 68.959 -13.400 16.848 1.00 0.00 H new ATOM 0 HA ASP A 39 68.567 -14.198 19.480 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.491 -15.714 17.537 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.222 -15.545 17.316 1.00 0.00 H new ATOM 635 N GLU A 40 71.394 -12.877 19.021 1.00 0.00 N ATOM 636 CA GLU A 40 72.667 -12.480 19.597 1.00 0.00 C ATOM 637 C GLU A 40 72.431 -11.807 20.938 1.00 0.00 C ATOM 638 O GLU A 40 73.365 -11.566 21.703 1.00 0.00 O ATOM 639 CB GLU A 40 73.347 -11.472 18.669 1.00 0.00 C ATOM 640 CG GLU A 40 73.894 -12.178 17.428 1.00 0.00 C ATOM 641 CD GLU A 40 75.031 -13.118 17.815 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.198 -14.123 17.144 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.719 -12.819 18.778 1.00 0.00 O ATOM 0 H GLU A 40 71.082 -12.286 18.250 1.00 0.00 H new ATOM 0 HA GLU A 40 73.293 -13.363 19.725 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.635 -10.702 18.373 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.158 -10.970 19.197 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.098 -12.740 16.940 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.251 -11.441 16.709 1.00 0.00 H new ATOM 650 N GLY A 41 71.173 -11.476 21.196 1.00 0.00 N ATOM 651 CA GLY A 41 70.805 -10.793 22.424 1.00 0.00 C ATOM 652 C GLY A 41 70.403 -9.368 22.089 1.00 0.00 C ATOM 653 O GLY A 41 69.971 -8.606 22.954 1.00 0.00 O ATOM 0 H GLY A 41 70.392 -11.670 20.570 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.981 -11.313 22.913 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.642 -10.795 23.122 1.00 0.00 H new ATOM 657 N THR A 42 70.541 -9.023 20.809 1.00 0.00 N ATOM 658 CA THR A 42 70.179 -7.687 20.345 1.00 0.00 C ATOM 659 C THR A 42 68.665 -7.572 20.266 1.00 0.00 C ATOM 660 O THR A 42 68.012 -8.445 19.706 1.00 0.00 O ATOM 661 CB THR A 42 70.784 -7.425 18.962 1.00 0.00 C ATOM 662 OG1 THR A 42 72.070 -8.022 18.887 1.00 0.00 O ATOM 663 CG2 THR A 42 70.902 -5.922 18.730 1.00 0.00 C ATOM 0 H THR A 42 70.897 -9.644 20.083 1.00 0.00 H new ATOM 0 HA THR A 42 70.568 -6.950 21.047 1.00 0.00 H new ATOM 0 HB THR A 42 70.139 -7.857 18.197 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.635 -7.506 18.275 1.00 0.00 H new ATOM 0 HG21 THR A 42 71.333 -5.738 17.746 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.913 -5.467 18.784 1.00 0.00 H new ATOM 0 HG23 THR A 42 71.545 -5.485 19.494 1.00 0.00 H new ATOM 671 N GLU A 43 68.105 -6.505 20.834 1.00 0.00 N ATOM 672 CA GLU A 43 66.651 -6.327 20.818 1.00 0.00 C ATOM 673 C GLU A 43 66.250 -4.944 20.324 1.00 0.00 C ATOM 674 O GLU A 43 66.785 -3.933 20.778 1.00 0.00 O ATOM 675 CB GLU A 43 66.088 -6.550 22.223 1.00 0.00 C ATOM 676 CG GLU A 43 66.918 -5.763 23.239 1.00 0.00 C ATOM 677 CD GLU A 43 66.338 -5.943 24.638 1.00 0.00 C ATOM 678 OE1 GLU A 43 65.715 -5.013 25.123 1.00 0.00 O ATOM 679 OE2 GLU A 43 66.526 -7.008 25.203 1.00 0.00 O ATOM 0 H GLU A 43 68.623 -5.762 21.303 1.00 0.00 H new ATOM 0 HA GLU A 43 66.238 -7.061 20.126 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.047 -6.231 22.263 1.00 0.00 H new ATOM 0 HB3 GLU A 43 66.105 -7.612 22.468 1.00 0.00 H new ATOM 0 HG2 GLU A 43 67.953 -6.105 23.219 1.00 0.00 H new ATOM 0 HG3 GLU A 43 66.927 -4.706 22.973 1.00 0.00 H new ATOM 686 N ALA A 44 65.298 -4.908 19.386 1.00 0.00 N ATOM 687 CA ALA A 44 64.831 -3.643 18.839 1.00 0.00 C ATOM 688 C ALA A 44 63.313 -3.557 18.839 1.00 0.00 C ATOM 689 O ALA A 44 62.639 -4.355 18.188 1.00 0.00 O ATOM 690 CB ALA A 44 65.300 -3.497 17.400 1.00 0.00 C ATOM 0 H ALA A 44 64.844 -5.734 18.997 1.00 0.00 H new ATOM 0 HA ALA A 44 65.238 -2.852 19.469 1.00 0.00 H new ATOM 0 HB1 ALA A 44 64.947 -2.548 16.997 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.389 -3.522 17.368 1.00 0.00 H new ATOM 0 HB3 ALA A 44 64.901 -4.316 16.802 1.00 0.00 H new ATOM 696 N GLU A 45 62.779 -2.557 19.524 1.00 0.00 N ATOM 697 CA GLU A 45 61.341 -2.357 19.539 1.00 0.00 C ATOM 698 C GLU A 45 60.950 -1.647 18.251 1.00 0.00 C ATOM 699 O GLU A 45 61.395 -0.527 18.003 1.00 0.00 O ATOM 700 CB GLU A 45 60.938 -1.508 20.749 1.00 0.00 C ATOM 701 CG GLU A 45 60.815 -2.402 21.984 1.00 0.00 C ATOM 702 CD GLU A 45 60.551 -1.549 23.220 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.394 -1.258 23.479 1.00 0.00 O ATOM 704 OE2 GLU A 45 61.508 -1.200 23.890 1.00 0.00 O ATOM 0 H GLU A 45 63.313 -1.880 20.070 1.00 0.00 H new ATOM 0 HA GLU A 45 60.830 -3.317 19.612 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.681 -0.730 20.923 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.990 -1.006 20.555 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.005 -3.118 21.846 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.730 -2.979 22.118 1.00 0.00 H new ATOM 711 N ALA A 46 60.155 -2.308 17.413 1.00 0.00 N ATOM 712 CA ALA A 46 59.760 -1.722 16.141 1.00 0.00 C ATOM 713 C ALA A 46 59.140 -0.330 16.304 1.00 0.00 C ATOM 714 O ALA A 46 58.365 0.106 15.453 1.00 0.00 O ATOM 715 CB ALA A 46 58.754 -2.624 15.455 1.00 0.00 C ATOM 0 H ALA A 46 59.777 -3.238 17.591 1.00 0.00 H new ATOM 0 HA ALA A 46 60.665 -1.620 15.542 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.460 -2.183 14.503 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.203 -3.602 15.279 1.00 0.00 H new ATOM 0 HB3 ALA A 46 57.875 -2.737 16.089 1.00 0.00 H new ATOM 721 N ASN A 47 59.479 0.365 17.384 1.00 0.00 N ATOM 722 CA ASN A 47 58.945 1.704 17.623 1.00 0.00 C ATOM 723 C ASN A 47 60.083 2.673 17.922 1.00 0.00 C ATOM 724 O ASN A 47 59.860 3.864 18.141 1.00 0.00 O ATOM 725 CB ASN A 47 57.956 1.674 18.790 1.00 0.00 C ATOM 726 CG ASN A 47 57.605 3.096 19.220 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.676 3.422 20.405 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.230 3.965 18.323 1.00 0.00 N ATOM 0 H ASN A 47 60.117 0.028 18.105 1.00 0.00 H new ATOM 0 HA ASN A 47 58.421 2.042 16.729 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.052 1.141 18.496 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.389 1.129 19.629 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.995 4.917 18.603 1.00 0.00 H new ATOM 0 HD22 ASN A 47 57.172 3.692 17.342 1.00 0.00 H new ATOM 735 N SER A 48 61.308 2.152 17.915 1.00 0.00 N ATOM 736 CA SER A 48 62.488 2.970 18.172 1.00 0.00 C ATOM 737 C SER A 48 63.541 2.731 17.089 1.00 0.00 C ATOM 738 O SER A 48 63.813 1.589 16.719 1.00 0.00 O ATOM 739 CB SER A 48 63.066 2.625 19.547 1.00 0.00 C ATOM 740 OG SER A 48 62.622 3.587 20.496 1.00 0.00 O ATOM 0 H SER A 48 61.508 1.168 17.734 1.00 0.00 H new ATOM 0 HA SER A 48 62.201 4.021 18.157 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.749 1.627 19.848 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.155 2.614 19.505 1.00 0.00 H new ATOM 0 HG SER A 48 62.988 3.369 21.378 1.00 0.00 H new ATOM 746 N VAL A 49 64.126 3.811 16.581 1.00 0.00 N ATOM 747 CA VAL A 49 65.143 3.695 15.540 1.00 0.00 C ATOM 748 C VAL A 49 66.455 3.208 16.136 1.00 0.00 C ATOM 749 O VAL A 49 67.209 2.479 15.491 1.00 0.00 O ATOM 750 CB VAL A 49 65.348 5.042 14.856 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.083 4.838 13.529 1.00 0.00 C ATOM 752 CG2 VAL A 49 63.982 5.677 14.591 1.00 0.00 C ATOM 0 H VAL A 49 63.917 4.767 16.869 1.00 0.00 H new ATOM 0 HA VAL A 49 64.804 2.970 14.800 1.00 0.00 H new ATOM 0 HB VAL A 49 65.941 5.694 15.497 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.228 5.802 13.042 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.052 4.377 13.717 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.492 4.190 12.882 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.118 6.641 14.102 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.395 5.022 13.946 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.458 5.820 15.536 1.00 0.00 H new ATOM 762 N ILE A 50 66.707 3.590 17.380 1.00 0.00 N ATOM 763 CA ILE A 50 67.897 3.172 18.070 1.00 0.00 C ATOM 764 C ILE A 50 67.867 1.661 18.173 1.00 0.00 C ATOM 765 O ILE A 50 68.891 0.982 18.100 1.00 0.00 O ATOM 766 CB ILE A 50 67.867 3.829 19.451 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.125 4.673 19.662 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.742 2.783 20.551 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.381 3.807 19.503 1.00 0.00 C ATOM 0 H ILE A 50 66.092 4.193 17.927 1.00 0.00 H new ATOM 0 HA ILE A 50 68.811 3.464 17.553 1.00 0.00 H new ATOM 0 HB ILE A 50 66.993 4.478 19.500 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.146 5.492 18.943 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.108 5.121 20.655 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.723 3.277 21.522 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.820 2.218 20.413 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.594 2.104 20.506 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.268 4.421 19.656 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.365 3.004 20.239 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.404 3.380 18.500 1.00 0.00 H new ATOM 781 N ALA A 51 66.653 1.159 18.324 1.00 0.00 N ATOM 782 CA ALA A 51 66.410 -0.251 18.419 1.00 0.00 C ATOM 783 C ALA A 51 66.809 -0.906 17.102 1.00 0.00 C ATOM 784 O ALA A 51 67.637 -1.814 17.074 1.00 0.00 O ATOM 785 CB ALA A 51 64.919 -0.456 18.733 1.00 0.00 C ATOM 0 H ALA A 51 65.810 1.731 18.383 1.00 0.00 H new ATOM 0 HA ALA A 51 66.999 -0.710 19.213 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.707 -1.522 18.811 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.675 0.032 19.677 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.316 -0.023 17.935 1.00 0.00 H new ATOM 791 N LEU A 52 66.240 -0.410 16.007 1.00 0.00 N ATOM 792 CA LEU A 52 66.564 -0.931 14.693 1.00 0.00 C ATOM 793 C LEU A 52 68.063 -0.807 14.437 1.00 0.00 C ATOM 794 O LEU A 52 68.718 -1.763 14.020 1.00 0.00 O ATOM 795 CB LEU A 52 65.805 -0.145 13.612 1.00 0.00 C ATOM 796 CG LEU A 52 64.283 -0.242 13.821 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.593 0.914 13.084 1.00 0.00 C ATOM 798 CD2 LEU A 52 63.745 -1.567 13.261 1.00 0.00 C ATOM 0 H LEU A 52 65.557 0.347 16.008 1.00 0.00 H new ATOM 0 HA LEU A 52 66.272 -1.980 14.654 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.112 0.901 13.635 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.065 -0.532 12.627 1.00 0.00 H new ATOM 0 HG LEU A 52 64.077 -0.191 14.890 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.515 0.847 13.231 1.00 0.00 H new ATOM 0 HD12 LEU A 52 63.955 1.864 13.478 1.00 0.00 H new ATOM 0 HD13 LEU A 52 63.819 0.853 12.019 1.00 0.00 H new ATOM 0 HD21 LEU A 52 62.668 -1.618 13.418 1.00 0.00 H new ATOM 0 HD22 LEU A 52 63.959 -1.625 12.194 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.226 -2.400 13.773 1.00 0.00 H new ATOM 810 N LEU A 53 68.596 0.382 14.690 1.00 0.00 N ATOM 811 CA LEU A 53 70.015 0.637 14.483 1.00 0.00 C ATOM 812 C LEU A 53 70.867 -0.390 15.227 1.00 0.00 C ATOM 813 O LEU A 53 71.881 -0.862 14.713 1.00 0.00 O ATOM 814 CB LEU A 53 70.350 2.050 14.981 1.00 0.00 C ATOM 815 CG LEU A 53 71.488 2.665 14.150 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.691 1.716 14.131 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.012 2.925 12.711 1.00 0.00 C ATOM 0 H LEU A 53 68.068 1.183 15.038 1.00 0.00 H new ATOM 0 HA LEU A 53 70.236 0.555 13.419 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.464 2.682 14.918 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.640 2.011 16.031 1.00 0.00 H new ATOM 0 HG LEU A 53 71.783 3.611 14.604 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.494 2.158 13.541 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.040 1.550 15.150 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.397 0.764 13.689 1.00 0.00 H new ATOM 0 HD21 LEU A 53 71.826 3.361 12.132 1.00 0.00 H new ATOM 0 HD22 LEU A 53 70.704 1.984 12.254 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.168 3.614 12.726 1.00 0.00 H new ATOM 829 N MET A 54 70.456 -0.717 16.446 1.00 0.00 N ATOM 830 CA MET A 54 71.197 -1.674 17.264 1.00 0.00 C ATOM 831 C MET A 54 71.409 -3.002 16.535 1.00 0.00 C ATOM 832 O MET A 54 72.511 -3.551 16.553 1.00 0.00 O ATOM 833 CB MET A 54 70.452 -1.928 18.577 1.00 0.00 C ATOM 834 CG MET A 54 71.332 -2.763 19.519 1.00 0.00 C ATOM 835 SD MET A 54 72.234 -1.663 20.639 1.00 0.00 S ATOM 836 CE MET A 54 73.631 -2.766 20.962 1.00 0.00 C ATOM 0 H MET A 54 69.619 -0.338 16.889 1.00 0.00 H new ATOM 0 HA MET A 54 72.176 -1.240 17.469 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.195 -0.980 19.049 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.516 -2.450 18.380 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.715 -3.455 20.092 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.033 -3.365 18.941 1.00 0.00 H new ATOM 0 HE1 MET A 54 74.328 -2.280 21.645 1.00 0.00 H new ATOM 0 HE2 MET A 54 73.268 -3.690 21.411 1.00 0.00 H new ATOM 0 HE3 MET A 54 74.139 -2.993 20.025 1.00 0.00 H new ATOM 846 N LEU A 55 70.361 -3.523 15.901 1.00 0.00 N ATOM 847 CA LEU A 55 70.486 -4.796 15.188 1.00 0.00 C ATOM 848 C LEU A 55 71.214 -4.605 13.867 1.00 0.00 C ATOM 849 O LEU A 55 71.616 -5.576 13.229 1.00 0.00 O ATOM 850 CB LEU A 55 69.126 -5.455 14.939 1.00 0.00 C ATOM 851 CG LEU A 55 68.022 -4.882 15.833 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.669 -5.422 15.350 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.254 -5.301 17.290 1.00 0.00 C ATOM 0 H LEU A 55 69.435 -3.097 15.864 1.00 0.00 H new ATOM 0 HA LEU A 55 71.067 -5.460 15.828 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.848 -5.322 13.894 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.209 -6.528 15.113 1.00 0.00 H new ATOM 0 HG LEU A 55 68.032 -3.794 15.777 1.00 0.00 H new ATOM 0 HD11 LEU A 55 65.873 -5.022 15.978 1.00 0.00 H new ATOM 0 HD12 LEU A 55 66.504 -5.118 14.316 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.668 -6.510 15.412 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.464 -4.889 17.917 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.244 -6.389 17.362 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.219 -4.924 17.628 1.00 0.00 H new ATOM 865 N ASP A 56 71.412 -3.358 13.474 1.00 0.00 N ATOM 866 CA ASP A 56 72.133 -3.076 12.248 1.00 0.00 C ATOM 867 C ASP A 56 73.452 -3.812 12.329 1.00 0.00 C ATOM 868 O ASP A 56 74.072 -4.140 11.318 1.00 0.00 O ATOM 869 CB ASP A 56 72.375 -1.572 12.097 1.00 0.00 C ATOM 870 CG ASP A 56 72.805 -1.255 10.669 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.973 -0.963 10.473 1.00 0.00 O ATOM 872 OD2 ASP A 56 71.959 -1.308 9.791 1.00 0.00 O ATOM 0 H ASP A 56 71.087 -2.534 13.980 1.00 0.00 H new ATOM 0 HA ASP A 56 71.557 -3.402 11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.466 -1.022 12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.144 -1.247 12.798 1.00 0.00 H new ATOM 877 N SER A 57 73.844 -4.100 13.567 1.00 0.00 N ATOM 878 CA SER A 57 75.061 -4.839 13.819 1.00 0.00 C ATOM 879 C SER A 57 74.877 -6.248 13.290 1.00 0.00 C ATOM 880 O SER A 57 75.834 -7.014 13.181 1.00 0.00 O ATOM 881 CB SER A 57 75.359 -4.877 15.319 1.00 0.00 C ATOM 882 OG SER A 57 74.260 -5.468 16.000 1.00 0.00 O ATOM 0 H SER A 57 73.331 -3.830 14.406 1.00 0.00 H new ATOM 0 HA SER A 57 75.900 -4.355 13.319 1.00 0.00 H new ATOM 0 HB2 SER A 57 76.268 -5.448 15.507 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.534 -3.868 15.693 1.00 0.00 H new ATOM 0 HG SER A 57 73.687 -4.764 16.370 1.00 0.00 H new ATOM 888 N ALA A 58 73.626 -6.571 12.941 1.00 0.00 N ATOM 889 CA ALA A 58 73.311 -7.895 12.388 1.00 0.00 C ATOM 890 C ALA A 58 74.457 -8.343 11.485 1.00 0.00 C ATOM 891 O ALA A 58 75.422 -8.939 11.961 1.00 0.00 O ATOM 892 CB ALA A 58 71.992 -7.830 11.596 1.00 0.00 C ATOM 0 H ALA A 58 72.826 -5.945 13.029 1.00 0.00 H new ATOM 0 HA ALA A 58 73.190 -8.616 13.197 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.764 -8.815 11.188 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.185 -7.515 12.258 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.092 -7.114 10.780 1.00 0.00 H new ATOM 898 N LYS A 59 74.351 -8.059 10.187 1.00 0.00 N ATOM 899 CA LYS A 59 75.400 -8.448 9.245 1.00 0.00 C ATOM 900 C LYS A 59 76.047 -9.761 9.680 1.00 0.00 C ATOM 901 O LYS A 59 77.164 -9.774 10.197 1.00 0.00 O ATOM 902 CB LYS A 59 76.464 -7.349 9.139 1.00 0.00 C ATOM 903 CG LYS A 59 76.830 -6.828 10.529 1.00 0.00 C ATOM 904 CD LYS A 59 78.000 -5.848 10.413 1.00 0.00 C ATOM 905 CE LYS A 59 78.587 -5.581 11.800 1.00 0.00 C ATOM 906 NZ LYS A 59 79.402 -6.753 12.229 1.00 0.00 N ATOM 0 H LYS A 59 73.561 -7.568 9.768 1.00 0.00 H new ATOM 0 HA LYS A 59 74.944 -8.588 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.353 -7.741 8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.091 -6.531 8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.971 -6.334 10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.100 -7.659 11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.767 -6.258 9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.662 -4.914 9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.205 -4.683 11.778 1.00 0.00 H new ATOM 0 HE3 LYS A 59 77.786 -5.400 12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.024 -6.474 13.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 78.771 -7.519 12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.980 -7.085 11.431 1.00 0.00 H new ATOM 920 N GLY A 60 75.319 -10.861 9.499 1.00 0.00 N ATOM 921 CA GLY A 60 75.816 -12.174 9.913 1.00 0.00 C ATOM 922 C GLY A 60 75.245 -12.497 11.285 1.00 0.00 C ATOM 923 O GLY A 60 75.915 -12.350 12.307 1.00 0.00 O ATOM 0 H GLY A 60 74.392 -10.872 9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 60 75.520 -12.935 9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 60 76.905 -12.173 9.947 1.00 0.00 H new ATOM 927 N ARG A 61 73.976 -12.872 11.292 1.00 0.00 N ATOM 928 CA ARG A 61 73.262 -13.146 12.521 1.00 0.00 C ATOM 929 C ARG A 61 71.865 -13.675 12.191 1.00 0.00 C ATOM 930 O ARG A 61 71.550 -13.925 11.026 1.00 0.00 O ATOM 931 CB ARG A 61 73.197 -11.812 13.314 1.00 0.00 C ATOM 932 CG ARG A 61 71.769 -11.339 13.625 1.00 0.00 C ATOM 933 CD ARG A 61 70.903 -11.108 12.369 1.00 0.00 C ATOM 934 NE ARG A 61 71.454 -11.734 11.152 1.00 0.00 N ATOM 935 CZ ARG A 61 72.527 -11.302 10.506 1.00 0.00 C ATOM 936 NH1 ARG A 61 72.904 -11.902 9.408 1.00 0.00 N ATOM 937 NH2 ARG A 61 73.202 -10.291 10.947 1.00 0.00 N ATOM 0 H ARG A 61 73.417 -12.994 10.448 1.00 0.00 H new ATOM 0 HA ARG A 61 73.762 -13.906 13.121 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.741 -11.931 14.251 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.709 -11.037 12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.281 -12.078 14.260 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.819 -10.412 14.196 1.00 0.00 H new ATOM 0 HD2 ARG A 61 69.903 -11.501 12.550 1.00 0.00 H new ATOM 0 HD3 ARG A 61 70.798 -10.036 12.201 1.00 0.00 H new ATOM 0 HE ARG A 61 70.976 -12.556 10.783 1.00 0.00 H new ATOM 0 HH11 ARG A 61 72.373 -12.698 9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 61 73.729 -11.575 8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 61 72.910 -9.816 11.801 1.00 0.00 H new ATOM 0 HH22 ARG A 61 74.026 -9.968 10.440 1.00 0.00 H new ATOM 951 N GLN A 62 71.021 -13.805 13.201 1.00 0.00 N ATOM 952 CA GLN A 62 69.656 -14.243 12.991 1.00 0.00 C ATOM 953 C GLN A 62 68.752 -13.373 13.846 1.00 0.00 C ATOM 954 O GLN A 62 69.033 -13.144 15.021 1.00 0.00 O ATOM 955 CB GLN A 62 69.496 -15.712 13.369 1.00 0.00 C ATOM 956 CG GLN A 62 69.831 -15.885 14.849 1.00 0.00 C ATOM 957 CD GLN A 62 70.495 -17.238 15.091 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.380 -17.640 14.336 1.00 0.00 O ATOM 959 NE2 GLN A 62 70.118 -17.967 16.106 1.00 0.00 N ATOM 0 H GLN A 62 71.260 -13.613 14.174 1.00 0.00 H new ATOM 0 HA GLN A 62 69.390 -14.146 11.938 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.476 -16.042 13.173 1.00 0.00 H new ATOM 0 HB3 GLN A 62 70.154 -16.331 12.759 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.495 -15.084 15.174 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.922 -15.807 15.445 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.384 -17.632 16.730 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.557 -18.872 16.275 1.00 0.00 H new ATOM 968 N ILE A 63 67.688 -12.865 13.249 1.00 0.00 N ATOM 969 CA ILE A 63 66.780 -11.994 13.957 1.00 0.00 C ATOM 970 C ILE A 63 65.543 -12.740 14.361 1.00 0.00 C ATOM 971 O ILE A 63 65.084 -13.642 13.668 1.00 0.00 O ATOM 972 CB ILE A 63 66.391 -10.825 13.063 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.626 -9.780 13.877 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.500 -11.323 11.926 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.606 -8.766 14.449 1.00 0.00 C ATOM 0 H ILE A 63 67.436 -13.043 12.277 1.00 0.00 H new ATOM 0 HA ILE A 63 67.280 -11.625 14.853 1.00 0.00 H new ATOM 0 HB ILE A 63 67.296 -10.376 12.653 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.893 -9.277 13.246 1.00 0.00 H new ATOM 0 HG13 ILE A 63 65.075 -10.264 14.683 1.00 0.00 H new ATOM 0 HG21 ILE A 63 65.223 -10.485 11.287 1.00 0.00 H new ATOM 0 HG22 ILE A 63 66.041 -12.064 11.338 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.600 -11.776 12.341 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.062 -8.021 15.029 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.322 -9.276 15.094 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.137 -8.274 13.634 1.00 0.00 H new ATOM 987 N GLU A 64 65.008 -12.329 15.483 1.00 0.00 N ATOM 988 CA GLU A 64 63.804 -12.918 16.010 1.00 0.00 C ATOM 989 C GLU A 64 62.702 -11.882 15.922 1.00 0.00 C ATOM 990 O GLU A 64 62.673 -10.928 16.702 1.00 0.00 O ATOM 991 CB GLU A 64 64.039 -13.348 17.465 1.00 0.00 C ATOM 992 CG GLU A 64 63.479 -14.751 17.702 1.00 0.00 C ATOM 993 CD GLU A 64 61.961 -14.741 17.560 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.411 -13.671 17.359 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.371 -15.805 17.654 1.00 0.00 O ATOM 0 H GLU A 64 65.394 -11.578 16.055 1.00 0.00 H new ATOM 0 HA GLU A 64 63.519 -13.802 15.440 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.106 -13.333 17.688 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.562 -12.640 18.142 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.914 -15.450 16.988 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.757 -15.098 18.697 1.00 0.00 H new ATOM 1002 N VAL A 65 61.809 -12.046 14.955 1.00 0.00 N ATOM 1003 CA VAL A 65 60.739 -11.096 14.791 1.00 0.00 C ATOM 1004 C VAL A 65 59.575 -11.501 15.656 1.00 0.00 C ATOM 1005 O VAL A 65 59.225 -12.673 15.699 1.00 0.00 O ATOM 1006 CB VAL A 65 60.294 -11.065 13.333 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.535 -12.348 12.994 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.382 -9.862 13.126 1.00 0.00 C ATOM 0 H VAL A 65 61.810 -12.817 14.287 1.00 0.00 H new ATOM 0 HA VAL A 65 61.090 -10.106 15.083 1.00 0.00 H new ATOM 0 HB VAL A 65 61.166 -10.989 12.683 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.220 -12.319 11.951 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.185 -13.208 13.153 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.658 -12.432 13.636 1.00 0.00 H new ATOM 0 HG21 VAL A 65 59.056 -9.827 12.087 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.512 -9.949 13.777 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.925 -8.948 13.367 1.00 0.00 H new ATOM 1018 N GLU A 66 58.967 -10.544 16.333 1.00 0.00 N ATOM 1019 CA GLU A 66 57.821 -10.868 17.158 1.00 0.00 C ATOM 1020 C GLU A 66 56.816 -9.725 17.173 1.00 0.00 C ATOM 1021 O GLU A 66 57.118 -8.647 17.677 1.00 0.00 O ATOM 1022 CB GLU A 66 58.237 -11.190 18.591 1.00 0.00 C ATOM 1023 CG GLU A 66 56.979 -11.262 19.465 1.00 0.00 C ATOM 1024 CD GLU A 66 57.285 -12.000 20.765 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.984 -12.998 20.706 1.00 0.00 O ATOM 1026 OE2 GLU A 66 56.814 -11.556 21.799 1.00 0.00 O ATOM 0 H GLU A 66 59.239 -9.561 16.329 1.00 0.00 H new ATOM 0 HA GLU A 66 57.355 -11.751 16.720 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.775 -12.138 18.624 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.916 -10.425 18.968 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.621 -10.256 19.684 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.181 -11.774 18.926 1.00 0.00 H new ATOM 1033 N ALA A 67 55.611 -9.961 16.658 1.00 0.00 N ATOM 1034 CA ALA A 67 54.588 -8.920 16.670 1.00 0.00 C ATOM 1035 C ALA A 67 53.410 -9.372 17.511 1.00 0.00 C ATOM 1036 O ALA A 67 53.187 -10.569 17.679 1.00 0.00 O ATOM 1037 CB ALA A 67 54.148 -8.582 15.249 1.00 0.00 C ATOM 0 H ALA A 67 55.324 -10.844 16.236 1.00 0.00 H new ATOM 0 HA ALA A 67 55.006 -8.015 17.111 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.385 -7.804 15.280 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.005 -8.227 14.677 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.739 -9.473 14.773 1.00 0.00 H new ATOM 1043 N THR A 68 52.678 -8.416 18.075 1.00 0.00 N ATOM 1044 CA THR A 68 51.555 -8.765 18.927 1.00 0.00 C ATOM 1045 C THR A 68 50.470 -7.687 18.925 1.00 0.00 C ATOM 1046 O THR A 68 50.601 -6.655 19.583 1.00 0.00 O ATOM 1047 CB THR A 68 52.057 -8.957 20.354 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.039 -9.982 20.379 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.887 -9.341 21.251 1.00 0.00 C ATOM 0 H THR A 68 52.840 -7.416 17.959 1.00 0.00 H new ATOM 0 HA THR A 68 51.115 -9.683 18.537 1.00 0.00 H new ATOM 0 HB THR A 68 52.501 -8.029 20.714 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.362 -10.103 21.296 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.242 -9.479 22.272 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.138 -8.549 21.231 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.443 -10.270 20.892 1.00 0.00 H new ATOM 1057 N GLY A 69 49.394 -7.954 18.200 1.00 0.00 N ATOM 1058 CA GLY A 69 48.264 -7.033 18.124 1.00 0.00 C ATOM 1059 C GLY A 69 47.305 -7.442 17.009 1.00 0.00 C ATOM 1060 O GLY A 69 47.570 -8.369 16.253 1.00 0.00 O ATOM 0 H GLY A 69 49.277 -8.806 17.652 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.736 -7.019 19.077 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.626 -6.020 17.945 1.00 0.00 H new ATOM 1064 N PRO A 70 46.198 -6.775 16.896 1.00 0.00 N ATOM 1065 CA PRO A 70 45.179 -7.074 15.856 1.00 0.00 C ATOM 1066 C PRO A 70 45.774 -7.524 14.525 1.00 0.00 C ATOM 1067 O PRO A 70 45.380 -8.557 13.981 1.00 0.00 O ATOM 1068 CB PRO A 70 44.466 -5.739 15.712 1.00 0.00 C ATOM 1069 CG PRO A 70 44.467 -5.179 17.095 1.00 0.00 C ATOM 1070 CD PRO A 70 45.774 -5.651 17.748 1.00 0.00 C ATOM 0 HA PRO A 70 44.535 -7.907 16.140 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.986 -5.082 15.015 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.452 -5.867 15.334 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.413 -4.091 17.074 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.602 -5.530 17.658 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.522 -4.858 17.768 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.616 -5.966 18.779 1.00 0.00 H new ATOM 1078 N GLN A 71 46.695 -6.732 13.987 1.00 0.00 N ATOM 1079 CA GLN A 71 47.301 -7.060 12.685 1.00 0.00 C ATOM 1080 C GLN A 71 48.822 -7.256 12.769 1.00 0.00 C ATOM 1081 O GLN A 71 49.564 -6.801 11.899 1.00 0.00 O ATOM 1082 CB GLN A 71 46.974 -5.946 11.686 1.00 0.00 C ATOM 1083 CG GLN A 71 45.542 -6.118 11.169 1.00 0.00 C ATOM 1084 CD GLN A 71 45.014 -4.787 10.643 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.497 -4.719 9.528 1.00 0.00 O ATOM 1086 NE2 GLN A 71 45.115 -3.718 11.386 1.00 0.00 N ATOM 0 H GLN A 71 47.039 -5.873 14.416 1.00 0.00 H new ATOM 0 HA GLN A 71 46.879 -8.009 12.355 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.084 -4.972 12.164 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.677 -5.973 10.853 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.520 -6.866 10.377 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.899 -6.483 11.970 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.544 -3.777 12.310 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.765 -2.823 11.043 1.00 0.00 H new ATOM 1095 N GLU A 72 49.276 -7.953 13.802 1.00 0.00 N ATOM 1096 CA GLU A 72 50.704 -8.221 13.981 1.00 0.00 C ATOM 1097 C GLU A 72 51.262 -9.040 12.835 1.00 0.00 C ATOM 1098 O GLU A 72 52.417 -8.872 12.450 1.00 0.00 O ATOM 1099 CB GLU A 72 50.920 -8.977 15.301 1.00 0.00 C ATOM 1100 CG GLU A 72 49.693 -9.835 15.602 1.00 0.00 C ATOM 1101 CD GLU A 72 50.069 -11.016 16.485 1.00 0.00 C ATOM 1102 OE1 GLU A 72 49.173 -11.741 16.886 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.245 -11.177 16.748 1.00 0.00 O ATOM 0 H GLU A 72 48.679 -8.345 14.531 1.00 0.00 H new ATOM 0 HA GLU A 72 51.229 -7.266 14.003 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.808 -9.605 15.232 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.091 -8.271 16.113 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.933 -9.231 16.097 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.257 -10.195 14.670 1.00 0.00 H new ATOM 1110 N GLU A 73 50.452 -9.923 12.297 1.00 0.00 N ATOM 1111 CA GLU A 73 50.907 -10.757 11.203 1.00 0.00 C ATOM 1112 C GLU A 73 51.290 -9.892 10.012 1.00 0.00 C ATOM 1113 O GLU A 73 52.446 -9.860 9.612 1.00 0.00 O ATOM 1114 CB GLU A 73 49.809 -11.747 10.804 1.00 0.00 C ATOM 1115 CG GLU A 73 49.584 -12.756 11.944 1.00 0.00 C ATOM 1116 CD GLU A 73 49.582 -14.184 11.403 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.183 -14.365 10.264 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.974 -15.076 12.136 1.00 0.00 O ATOM 0 H GLU A 73 49.489 -10.083 12.592 1.00 0.00 H new ATOM 0 HA GLU A 73 51.784 -11.317 11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.884 -11.212 10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.092 -12.271 9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.367 -12.646 12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.636 -12.548 12.440 1.00 0.00 H new ATOM 1125 N GLU A 74 50.323 -9.171 9.466 1.00 0.00 N ATOM 1126 CA GLU A 74 50.592 -8.300 8.325 1.00 0.00 C ATOM 1127 C GLU A 74 51.850 -7.475 8.574 1.00 0.00 C ATOM 1128 O GLU A 74 52.649 -7.241 7.670 1.00 0.00 O ATOM 1129 CB GLU A 74 49.403 -7.360 8.100 1.00 0.00 C ATOM 1130 CG GLU A 74 48.106 -8.076 8.472 1.00 0.00 C ATOM 1131 CD GLU A 74 46.910 -7.312 7.915 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.887 -6.101 8.057 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.034 -7.950 7.353 1.00 0.00 O ATOM 0 H GLU A 74 49.355 -9.169 9.787 1.00 0.00 H new ATOM 0 HA GLU A 74 50.742 -8.919 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.519 -6.460 8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.369 -7.043 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.115 -9.092 8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 74 48.024 -8.157 9.556 1.00 0.00 H new ATOM 1140 N ALA A 75 51.997 -7.030 9.810 1.00 0.00 N ATOM 1141 CA ALA A 75 53.140 -6.210 10.212 1.00 0.00 C ATOM 1142 C ALA A 75 54.433 -7.004 10.211 1.00 0.00 C ATOM 1143 O ALA A 75 55.368 -6.666 9.498 1.00 0.00 O ATOM 1144 CB ALA A 75 52.872 -5.630 11.620 1.00 0.00 C ATOM 0 H ALA A 75 51.336 -7.222 10.563 1.00 0.00 H new ATOM 0 HA ALA A 75 53.257 -5.403 9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.719 -5.017 11.928 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.971 -5.018 11.596 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.737 -6.446 12.330 1.00 0.00 H new ATOM 1150 N LEU A 76 54.468 -8.054 11.001 1.00 0.00 N ATOM 1151 CA LEU A 76 55.640 -8.911 11.102 1.00 0.00 C ATOM 1152 C LEU A 76 55.776 -9.753 9.841 1.00 0.00 C ATOM 1153 O LEU A 76 56.874 -10.145 9.450 1.00 0.00 O ATOM 1154 CB LEU A 76 55.438 -9.784 12.342 1.00 0.00 C ATOM 1155 CG LEU A 76 56.073 -11.170 12.197 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.145 -11.800 13.593 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.216 -12.062 11.276 1.00 0.00 C ATOM 0 H LEU A 76 53.689 -8.342 11.593 1.00 0.00 H new ATOM 0 HA LEU A 76 56.558 -8.332 11.196 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.866 -9.281 13.209 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.371 -9.896 12.533 1.00 0.00 H new ATOM 0 HG LEU A 76 57.067 -11.079 11.758 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.594 -12.791 13.522 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.752 -11.172 14.245 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.140 -11.886 14.006 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.682 -13.043 11.184 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.219 -12.172 11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.141 -11.602 10.291 1.00 0.00 H new ATOM 1169 N ALA A 77 54.643 -10.016 9.213 1.00 0.00 N ATOM 1170 CA ALA A 77 54.611 -10.804 7.989 1.00 0.00 C ATOM 1171 C ALA A 77 55.017 -9.949 6.791 1.00 0.00 C ATOM 1172 O ALA A 77 55.479 -10.470 5.775 1.00 0.00 O ATOM 1173 CB ALA A 77 53.195 -11.339 7.766 1.00 0.00 C ATOM 0 H ALA A 77 53.729 -9.695 9.531 1.00 0.00 H new ATOM 0 HA ALA A 77 55.313 -11.632 8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.169 -11.929 6.850 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.906 -11.966 8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.500 -10.504 7.679 1.00 0.00 H new ATOM 1179 N ALA A 78 54.849 -8.634 6.916 1.00 0.00 N ATOM 1180 CA ALA A 78 55.211 -7.729 5.830 1.00 0.00 C ATOM 1181 C ALA A 78 56.721 -7.543 5.815 1.00 0.00 C ATOM 1182 O ALA A 78 57.358 -7.531 4.756 1.00 0.00 O ATOM 1183 CB ALA A 78 54.509 -6.375 6.007 1.00 0.00 C ATOM 0 H ALA A 78 54.470 -8.178 7.746 1.00 0.00 H new ATOM 0 HA ALA A 78 54.890 -8.158 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.789 -5.711 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.429 -6.522 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.810 -5.930 6.955 1.00 0.00 H new ATOM 1189 N VAL A 79 57.292 -7.443 7.006 1.00 0.00 N ATOM 1190 CA VAL A 79 58.728 -7.301 7.137 1.00 0.00 C ATOM 1191 C VAL A 79 59.377 -8.559 6.606 1.00 0.00 C ATOM 1192 O VAL A 79 60.338 -8.512 5.848 1.00 0.00 O ATOM 1193 CB VAL A 79 59.103 -7.121 8.615 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.855 -6.800 9.418 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.712 -8.412 9.152 1.00 0.00 C ATOM 0 H VAL A 79 56.783 -7.458 7.890 1.00 0.00 H new ATOM 0 HA VAL A 79 59.069 -6.429 6.578 1.00 0.00 H new ATOM 0 HB VAL A 79 59.824 -6.308 8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.120 -6.672 10.467 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.407 -5.880 9.042 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.140 -7.617 9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.977 -8.280 10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.988 -9.222 9.059 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.607 -8.658 8.580 1.00 0.00 H new ATOM 1205 N ILE A 80 58.828 -9.685 7.041 1.00 0.00 N ATOM 1206 CA ILE A 80 59.326 -10.981 6.651 1.00 0.00 C ATOM 1207 C ILE A 80 59.521 -11.023 5.174 1.00 0.00 C ATOM 1208 O ILE A 80 60.623 -11.249 4.694 1.00 0.00 O ATOM 1209 CB ILE A 80 58.346 -12.036 7.120 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.578 -12.207 8.625 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.569 -13.353 6.364 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.453 -13.425 8.893 1.00 0.00 C ATOM 0 H ILE A 80 58.027 -9.717 7.672 1.00 0.00 H new ATOM 0 HA ILE A 80 60.294 -11.176 7.113 1.00 0.00 H new ATOM 0 HB ILE A 80 57.316 -11.738 6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.054 -11.314 9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.622 -12.319 9.136 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.856 -14.099 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.426 -13.188 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.584 -13.708 6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.608 -13.532 9.967 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.962 -14.318 8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.416 -13.297 8.398 1.00 0.00 H new ATOM 1224 N ALA A 81 58.473 -10.756 4.445 1.00 0.00 N ATOM 1225 CA ALA A 81 58.614 -10.730 3.017 1.00 0.00 C ATOM 1226 C ALA A 81 59.837 -9.911 2.688 1.00 0.00 C ATOM 1227 O ALA A 81 60.497 -10.135 1.674 1.00 0.00 O ATOM 1228 CB ALA A 81 57.399 -10.102 2.369 1.00 0.00 C ATOM 0 H ALA A 81 57.538 -10.559 4.802 1.00 0.00 H new ATOM 0 HA ALA A 81 58.712 -11.748 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.528 -10.093 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.511 -10.680 2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.282 -9.080 2.729 1.00 0.00 H new ATOM 1234 N LEU A 82 60.167 -8.975 3.584 1.00 0.00 N ATOM 1235 CA LEU A 82 61.351 -8.172 3.378 1.00 0.00 C ATOM 1236 C LEU A 82 62.519 -8.825 4.090 1.00 0.00 C ATOM 1237 O LEU A 82 63.613 -8.941 3.537 1.00 0.00 O ATOM 1238 CB LEU A 82 61.144 -6.742 3.874 1.00 0.00 C ATOM 1239 CG LEU A 82 61.928 -5.784 2.968 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.399 -6.216 2.920 1.00 0.00 C ATOM 1241 CD2 LEU A 82 61.333 -5.808 1.548 1.00 0.00 C ATOM 0 H LEU A 82 59.640 -8.767 4.432 1.00 0.00 H new ATOM 0 HA LEU A 82 61.561 -8.115 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 82 60.084 -6.489 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.483 -6.648 4.906 1.00 0.00 H new ATOM 0 HG LEU A 82 61.860 -4.772 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.957 -5.536 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.819 -6.190 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.468 -7.229 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.893 -5.126 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 82 61.395 -6.819 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 82 60.289 -5.496 1.586 1.00 0.00 H new ATOM 1253 N PHE A 83 62.274 -9.277 5.315 1.00 0.00 N ATOM 1254 CA PHE A 83 63.311 -9.940 6.065 1.00 0.00 C ATOM 1255 C PHE A 83 63.717 -11.182 5.300 1.00 0.00 C ATOM 1256 O PHE A 83 64.878 -11.592 5.305 1.00 0.00 O ATOM 1257 CB PHE A 83 62.837 -10.296 7.469 1.00 0.00 C ATOM 1258 CG PHE A 83 62.973 -9.114 8.400 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.860 -7.799 7.919 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.204 -9.342 9.759 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.979 -6.725 8.806 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.325 -8.269 10.639 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.212 -6.963 10.165 1.00 0.00 C ATOM 0 H PHE A 83 61.378 -9.194 5.796 1.00 0.00 H new ATOM 0 HA PHE A 83 64.166 -9.274 6.182 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.797 -10.619 7.435 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.419 -11.134 7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.682 -7.619 6.869 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.289 -10.353 10.128 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.891 -5.712 8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.506 -8.449 11.688 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.305 -6.132 10.849 1.00 0.00 H new ATOM 1273 N ASN A 84 62.741 -11.743 4.598 1.00 0.00 N ATOM 1274 CA ASN A 84 62.966 -12.904 3.767 1.00 0.00 C ATOM 1275 C ASN A 84 63.394 -12.413 2.409 1.00 0.00 C ATOM 1276 O ASN A 84 63.906 -13.155 1.570 1.00 0.00 O ATOM 1277 CB ASN A 84 61.668 -13.701 3.647 1.00 0.00 C ATOM 1278 CG ASN A 84 61.940 -15.198 3.758 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.877 -15.708 3.142 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.171 -15.935 4.511 1.00 0.00 N ATOM 0 H ASN A 84 61.779 -11.404 4.593 1.00 0.00 H new ATOM 0 HA ASN A 84 63.732 -13.549 4.197 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.974 -13.394 4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.189 -13.483 2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.345 -16.937 4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.396 -15.509 5.020 1.00 0.00 H new ATOM 1287 N SER A 85 63.162 -11.134 2.231 1.00 0.00 N ATOM 1288 CA SER A 85 63.501 -10.454 0.985 1.00 0.00 C ATOM 1289 C SER A 85 63.082 -11.295 -0.217 1.00 0.00 C ATOM 1290 O SER A 85 61.943 -11.170 -0.634 1.00 0.00 O ATOM 1291 CB SER A 85 65.006 -10.190 0.928 1.00 0.00 C ATOM 1292 OG SER A 85 65.690 -11.417 0.715 1.00 0.00 O ATOM 1293 OXT SER A 85 63.907 -12.052 -0.701 1.00 0.00 O ATOM 0 H SER A 85 62.736 -10.531 2.935 1.00 0.00 H new ATOM 0 HA SER A 85 62.965 -9.506 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.234 -9.489 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.342 -9.730 1.857 1.00 0.00 H new ATOM 0 HG SER A 85 65.041 -12.150 0.671 1.00 0.00 H new