USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 538 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 Single : A 7 THR OG1 : rot 180:sc= -6.77! USER MOD Single : A 9 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 13 GLN : amide:sc= -3.36 K(o=-3.4,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -0.0653 K(o=-0.065,f=-4.8!) USER MOD Single : A 32 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0479 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -8.13! C(o=-8.1!,f=-15!) USER MOD Single : A 44 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.306 (180deg=-0.65) USER MOD Single : A 54 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.6!) USER MOD Single : A 56 THR OG1 : rot 49:sc= 0.00129 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 91 THR OG1 : rot 63:sc= 1.35 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0909 X(o=-0.091,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 175:sc= -5.18! (180deg=-6.21!) USER MOD Single : A 100 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.5) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0615 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 16.931 0.843 13.009 1.00 0.00 N ATOM 91 CA THR A 7 16.713 1.238 11.623 1.00 0.00 C ATOM 92 C THR A 7 16.740 0.021 10.707 1.00 0.00 C ATOM 93 O THR A 7 17.658 -0.797 10.771 1.00 0.00 O ATOM 94 CB THR A 7 17.790 2.229 11.199 1.00 0.00 C ATOM 95 OG1 THR A 7 17.580 2.668 9.872 1.00 0.00 O ATOM 96 CG2 THR A 7 19.184 1.650 11.284 1.00 0.00 C ATOM 0 HA THR A 7 15.733 1.708 11.543 1.00 0.00 H new ATOM 0 HB THR A 7 17.713 3.063 11.896 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.282 3.304 9.623 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.909 2.401 10.970 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.392 1.352 12.312 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.257 0.780 10.632 1.00 0.00 H new ATOM 104 N PHE A 8 15.725 -0.098 9.863 1.00 0.00 N ATOM 105 CA PHE A 8 15.634 -1.229 8.940 1.00 0.00 C ATOM 106 C PHE A 8 14.974 -0.851 7.620 1.00 0.00 C ATOM 107 O PHE A 8 14.042 -0.047 7.587 1.00 0.00 O ATOM 108 CB PHE A 8 14.856 -2.375 9.584 1.00 0.00 C ATOM 109 CG PHE A 8 13.983 -1.938 10.721 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.512 -1.787 11.993 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.636 -1.683 10.519 1.00 0.00 C ATOM 112 CE1 PHE A 8 13.713 -1.389 13.046 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.832 -1.285 11.573 1.00 0.00 C ATOM 114 CZ PHE A 8 12.372 -1.139 12.836 1.00 0.00 C ATOM 0 H PHE A 8 14.956 0.568 9.795 1.00 0.00 H new ATOM 0 HA PHE A 8 16.655 -1.543 8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.238 -2.856 8.826 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.560 -3.125 9.944 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.561 -1.983 12.162 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.211 -1.796 9.533 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.137 -1.273 14.033 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.783 -1.089 11.408 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.745 -0.829 13.659 1.00 0.00 H new ATOM 124 N CYS A 9 15.429 -1.478 6.542 1.00 0.00 N ATOM 125 CA CYS A 9 14.852 -1.247 5.224 1.00 0.00 C ATOM 126 C CYS A 9 13.792 -2.314 4.958 1.00 0.00 C ATOM 127 O CYS A 9 14.105 -3.504 4.906 1.00 0.00 O ATOM 128 CB CYS A 9 15.937 -1.297 4.141 1.00 0.00 C ATOM 129 SG CYS A 9 17.517 -0.566 4.633 1.00 0.00 S ATOM 0 H CYS A 9 16.196 -2.150 6.555 1.00 0.00 H new ATOM 0 HA CYS A 9 14.397 -0.257 5.197 1.00 0.00 H new ATOM 0 HB2 CYS A 9 16.104 -2.336 3.858 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.572 -0.780 3.254 1.00 0.00 H new ATOM 0 HG CYS A 9 18.364 -0.661 3.651 1.00 0.00 H new ATOM 135 N VAL A 10 12.536 -1.899 4.825 1.00 0.00 N ATOM 136 CA VAL A 10 11.446 -2.848 4.605 1.00 0.00 C ATOM 137 C VAL A 10 10.874 -2.745 3.200 1.00 0.00 C ATOM 138 O VAL A 10 10.902 -1.689 2.581 1.00 0.00 O ATOM 139 CB VAL A 10 10.311 -2.634 5.635 1.00 0.00 C ATOM 140 CG1 VAL A 10 9.084 -1.988 4.998 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.939 -3.945 6.302 1.00 0.00 C ATOM 0 H VAL A 10 12.248 -0.921 4.865 1.00 0.00 H new ATOM 0 HA VAL A 10 11.870 -3.844 4.731 1.00 0.00 H new ATOM 0 HB VAL A 10 10.685 -1.949 6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.310 -1.854 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.358 -1.018 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.707 -2.630 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.139 -3.773 7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.600 -4.654 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.810 -4.351 6.817 1.00 0.00 H new ATOM 151 N VAL A 11 10.343 -3.854 2.707 1.00 0.00 N ATOM 152 CA VAL A 11 9.757 -3.890 1.382 1.00 0.00 C ATOM 153 C VAL A 11 8.455 -4.687 1.377 1.00 0.00 C ATOM 154 O VAL A 11 8.404 -5.818 1.859 1.00 0.00 O ATOM 155 CB VAL A 11 10.746 -4.483 0.368 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.149 -5.888 0.775 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.169 -4.463 -1.041 1.00 0.00 C ATOM 0 H VAL A 11 10.308 -4.741 3.209 1.00 0.00 H new ATOM 0 HA VAL A 11 9.530 -2.864 1.091 1.00 0.00 H new ATOM 0 HB VAL A 11 11.641 -3.861 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.850 -6.291 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.623 -5.861 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.264 -6.523 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.892 -4.889 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.251 -5.050 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.950 -3.435 -1.330 1.00 0.00 H new ATOM 167 N VAL A 12 7.401 -4.078 0.843 1.00 0.00 N ATOM 168 CA VAL A 12 6.089 -4.713 0.788 1.00 0.00 C ATOM 169 C VAL A 12 5.833 -5.373 -0.560 1.00 0.00 C ATOM 170 O VAL A 12 5.543 -4.697 -1.546 1.00 0.00 O ATOM 171 CB VAL A 12 4.969 -3.691 1.046 1.00 0.00 C ATOM 172 CG1 VAL A 12 5.033 -3.182 2.475 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.057 -2.537 0.055 1.00 0.00 C ATOM 0 H VAL A 12 7.431 -3.141 0.441 1.00 0.00 H new ATOM 0 HA VAL A 12 6.085 -5.476 1.566 1.00 0.00 H new ATOM 0 HB VAL A 12 4.009 -4.187 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.233 -2.460 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.915 -4.018 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.996 -2.702 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.256 -1.825 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.021 -2.039 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.957 -2.921 -0.960 1.00 0.00 H new ATOM 183 N GLN A 13 5.918 -6.696 -0.589 1.00 0.00 N ATOM 184 CA GLN A 13 5.671 -7.447 -1.814 1.00 0.00 C ATOM 185 C GLN A 13 4.210 -7.875 -1.878 1.00 0.00 C ATOM 186 O GLN A 13 3.786 -8.771 -1.146 1.00 0.00 O ATOM 187 CB GLN A 13 6.583 -8.674 -1.882 1.00 0.00 C ATOM 188 CG GLN A 13 6.782 -9.210 -3.290 1.00 0.00 C ATOM 189 CD GLN A 13 5.557 -9.933 -3.817 1.00 0.00 C ATOM 190 OE1 GLN A 13 5.449 -11.155 -3.706 1.00 0.00 O ATOM 191 NE2 GLN A 13 4.628 -9.181 -4.393 1.00 0.00 N ATOM 0 H GLN A 13 6.155 -7.271 0.219 1.00 0.00 H new ATOM 0 HA GLN A 13 5.890 -6.805 -2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.555 -8.417 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.163 -9.463 -1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.027 -8.384 -3.958 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.633 -9.891 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.760 -8.172 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.782 -9.612 -4.766 1.00 0.00 H new ATOM 200 N ASN A 14 3.434 -7.225 -2.742 1.00 0.00 N ATOM 201 CA ASN A 14 2.017 -7.543 -2.871 1.00 0.00 C ATOM 202 C ASN A 14 1.717 -8.323 -4.141 1.00 0.00 C ATOM 203 O ASN A 14 1.960 -7.849 -5.250 1.00 0.00 O ATOM 204 CB ASN A 14 1.163 -6.270 -2.858 1.00 0.00 C ATOM 205 CG ASN A 14 1.444 -5.365 -4.042 1.00 0.00 C ATOM 206 OD1 ASN A 14 2.597 -5.143 -4.411 1.00 0.00 O ATOM 207 ND2 ASN A 14 0.383 -4.837 -4.642 1.00 0.00 N ATOM 0 H ASN A 14 3.761 -6.481 -3.358 1.00 0.00 H new ATOM 0 HA ASN A 14 1.764 -8.165 -2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.108 -6.545 -2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.349 -5.722 -1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.506 -4.219 -5.444 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.554 -5.050 -4.301 1.00 0.00 H new ATOM 482 N ASP A 31 6.844 -4.909 -5.362 1.00 0.00 N ATOM 483 CA ASP A 31 7.509 -4.746 -4.075 1.00 0.00 C ATOM 484 C ASP A 31 8.169 -3.378 -3.968 1.00 0.00 C ATOM 485 O ASP A 31 9.013 -3.015 -4.788 1.00 0.00 O ATOM 486 CB ASP A 31 8.553 -5.844 -3.865 1.00 0.00 C ATOM 487 CG ASP A 31 9.308 -6.185 -5.137 1.00 0.00 C ATOM 488 OD1 ASP A 31 8.676 -6.703 -6.081 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.530 -5.932 -5.188 1.00 0.00 O ATOM 0 HA ASP A 31 6.749 -4.825 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.262 -5.524 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.061 -6.740 -3.488 1.00 0.00 H new ATOM 494 N ASN A 32 7.785 -2.626 -2.943 1.00 0.00 N ATOM 495 CA ASN A 32 8.344 -1.301 -2.713 1.00 0.00 C ATOM 496 C ASN A 32 9.285 -1.337 -1.518 1.00 0.00 C ATOM 497 O ASN A 32 8.880 -1.714 -0.421 1.00 0.00 O ATOM 498 CB ASN A 32 7.225 -0.285 -2.471 1.00 0.00 C ATOM 499 CG ASN A 32 7.478 1.034 -3.173 1.00 0.00 C ATOM 500 OD1 ASN A 32 8.376 1.145 -4.007 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.685 2.044 -2.836 1.00 0.00 N ATOM 0 H ASN A 32 7.087 -2.913 -2.257 1.00 0.00 H new ATOM 0 HA ASN A 32 8.903 -0.997 -3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.279 -0.702 -2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.123 -0.109 -1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.808 2.957 -3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.953 1.907 -2.139 1.00 0.00 H new ATOM 508 N SER A 33 10.540 -0.956 -1.731 1.00 0.00 N ATOM 509 CA SER A 33 11.522 -0.970 -0.654 1.00 0.00 C ATOM 510 C SER A 33 11.495 0.321 0.141 1.00 0.00 C ATOM 511 O SER A 33 11.258 1.403 -0.396 1.00 0.00 O ATOM 512 CB SER A 33 12.932 -1.202 -1.188 1.00 0.00 C ATOM 513 OG SER A 33 13.085 -0.662 -2.489 1.00 0.00 O ATOM 0 H SER A 33 10.899 -0.637 -2.631 1.00 0.00 H new ATOM 0 HA SER A 33 11.251 -1.796 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.658 -0.746 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.144 -2.271 -1.208 1.00 0.00 H new ATOM 0 HG SER A 33 13.998 -0.824 -2.805 1.00 0.00 H new ATOM 519 N LEU A 34 11.744 0.183 1.432 1.00 0.00 N ATOM 520 CA LEU A 34 11.757 1.312 2.343 1.00 0.00 C ATOM 521 C LEU A 34 13.149 1.486 2.950 1.00 0.00 C ATOM 522 O LEU A 34 13.803 0.509 3.307 1.00 0.00 O ATOM 523 CB LEU A 34 10.698 1.097 3.441 1.00 0.00 C ATOM 524 CG LEU A 34 10.726 2.066 4.611 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.671 1.531 5.667 1.00 0.00 C ATOM 526 CD2 LEU A 34 11.119 3.474 4.180 1.00 0.00 C ATOM 0 H LEU A 34 11.942 -0.713 1.876 1.00 0.00 H new ATOM 0 HA LEU A 34 11.514 2.223 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.712 1.149 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.813 0.086 3.833 1.00 0.00 H new ATOM 0 HG LEU A 34 9.721 2.144 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.699 2.219 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.324 0.555 6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.671 1.434 5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.126 4.132 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.113 3.454 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.400 3.845 3.450 1.00 0.00 H new ATOM 538 N ALA A 35 13.592 2.735 3.068 1.00 0.00 N ATOM 539 CA ALA A 35 14.893 3.045 3.635 1.00 0.00 C ATOM 540 C ALA A 35 14.887 2.781 5.129 1.00 0.00 C ATOM 541 O ALA A 35 13.839 2.756 5.756 1.00 0.00 O ATOM 542 CB ALA A 35 15.268 4.486 3.352 1.00 0.00 C ATOM 0 H ALA A 35 13.059 3.554 2.774 1.00 0.00 H new ATOM 0 HA ALA A 35 15.639 2.401 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 35 16.246 4.699 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.305 4.648 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.524 5.149 3.793 1.00 0.00 H new ATOM 548 N ALA A 36 16.054 2.560 5.692 1.00 0.00 N ATOM 549 CA ALA A 36 16.152 2.252 7.111 1.00 0.00 C ATOM 550 C ALA A 36 15.827 3.467 7.971 1.00 0.00 C ATOM 551 O ALA A 36 16.604 4.418 8.060 1.00 0.00 O ATOM 552 CB ALA A 36 17.540 1.722 7.433 1.00 0.00 C ATOM 0 H ALA A 36 16.946 2.586 5.198 1.00 0.00 H new ATOM 0 HA ALA A 36 15.415 1.483 7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.605 1.494 8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.727 0.816 6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.285 2.475 7.177 1.00 0.00 H new ATOM 558 N VAL A 37 14.645 3.416 8.593 1.00 0.00 N ATOM 559 CA VAL A 37 14.161 4.497 9.449 1.00 0.00 C ATOM 560 C VAL A 37 13.808 3.984 10.845 1.00 0.00 C ATOM 561 O VAL A 37 14.005 2.812 11.157 1.00 0.00 O ATOM 562 CB VAL A 37 12.921 5.205 8.826 1.00 0.00 C ATOM 563 CG1 VAL A 37 12.874 5.003 7.319 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.615 4.719 9.449 1.00 0.00 C ATOM 0 H VAL A 37 14.002 2.628 8.516 1.00 0.00 H new ATOM 0 HA VAL A 37 14.972 5.221 9.533 1.00 0.00 H new ATOM 0 HB VAL A 37 13.027 6.268 9.040 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.998 5.508 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.775 5.418 6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.815 3.938 7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.776 5.238 8.986 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.512 3.646 9.287 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.623 4.925 10.519 1.00 0.00 H new ATOM 574 N SER A 38 13.277 4.877 11.676 1.00 0.00 N ATOM 575 CA SER A 38 12.886 4.529 13.039 1.00 0.00 C ATOM 576 C SER A 38 11.983 3.296 13.066 1.00 0.00 C ATOM 577 O SER A 38 12.381 2.240 13.558 1.00 0.00 O ATOM 578 CB SER A 38 12.172 5.709 13.700 1.00 0.00 C ATOM 579 OG SER A 38 12.943 6.893 13.601 1.00 0.00 O ATOM 0 H SER A 38 13.107 5.852 11.428 1.00 0.00 H new ATOM 0 HA SER A 38 13.794 4.295 13.595 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.202 5.862 13.227 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.982 5.482 14.749 1.00 0.00 H new ATOM 0 HG SER A 38 12.463 7.632 14.030 1.00 0.00 H new ATOM 585 N GLU A 39 10.765 3.435 12.543 1.00 0.00 N ATOM 586 CA GLU A 39 9.816 2.322 12.525 1.00 0.00 C ATOM 587 C GLU A 39 8.518 2.676 11.794 1.00 0.00 C ATOM 588 O GLU A 39 7.793 1.785 11.353 1.00 0.00 O ATOM 589 CB GLU A 39 9.495 1.882 13.954 1.00 0.00 C ATOM 590 CG GLU A 39 8.873 0.498 14.040 1.00 0.00 C ATOM 591 CD GLU A 39 7.962 0.341 15.241 1.00 0.00 C ATOM 592 OE1 GLU A 39 8.456 0.461 16.381 1.00 0.00 O ATOM 593 OE2 GLU A 39 6.752 0.099 15.040 1.00 0.00 O ATOM 0 H GLU A 39 10.414 4.299 12.130 1.00 0.00 H new ATOM 0 HA GLU A 39 10.290 1.505 11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.411 1.897 14.544 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.815 2.605 14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.306 0.302 13.130 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.665 -0.250 14.089 1.00 0.00 H new ATOM 600 N SER A 40 8.222 3.972 11.675 1.00 0.00 N ATOM 601 CA SER A 40 7.002 4.425 11.003 1.00 0.00 C ATOM 602 C SER A 40 6.740 3.631 9.724 1.00 0.00 C ATOM 603 O SER A 40 5.591 3.357 9.374 1.00 0.00 O ATOM 604 CB SER A 40 7.104 5.916 10.677 1.00 0.00 C ATOM 605 OG SER A 40 5.857 6.565 10.860 1.00 0.00 O ATOM 0 H SER A 40 8.809 4.725 12.034 1.00 0.00 H new ATOM 0 HA SER A 40 6.166 4.258 11.682 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.856 6.380 11.315 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.437 6.044 9.647 1.00 0.00 H new ATOM 0 HG SER A 40 5.949 7.517 10.647 1.00 0.00 H new ATOM 611 N GLN A 41 7.814 3.261 9.034 1.00 0.00 N ATOM 612 CA GLN A 41 7.706 2.494 7.795 1.00 0.00 C ATOM 613 C GLN A 41 6.910 1.213 7.999 1.00 0.00 C ATOM 614 O GLN A 41 6.131 0.809 7.136 1.00 0.00 O ATOM 615 CB GLN A 41 9.089 2.143 7.259 1.00 0.00 C ATOM 616 CG GLN A 41 10.082 1.680 8.316 1.00 0.00 C ATOM 617 CD GLN A 41 9.794 0.283 8.821 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.700 0.056 10.025 1.00 0.00 O ATOM 619 NE2 GLN A 41 9.641 -0.659 7.901 1.00 0.00 N ATOM 0 H GLN A 41 8.771 3.480 9.311 1.00 0.00 H new ATOM 0 HA GLN A 41 7.181 3.120 7.073 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.985 1.359 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.500 3.016 6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.089 1.710 7.900 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.063 2.376 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.728 -0.425 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.436 -1.618 8.182 1.00 0.00 H new ATOM 628 N LEU A 42 7.120 0.573 9.139 1.00 0.00 N ATOM 629 CA LEU A 42 6.432 -0.672 9.450 1.00 0.00 C ATOM 630 C LEU A 42 4.958 -0.420 9.722 1.00 0.00 C ATOM 631 O LEU A 42 4.096 -1.196 9.310 1.00 0.00 O ATOM 632 CB LEU A 42 7.080 -1.356 10.655 1.00 0.00 C ATOM 633 CG LEU A 42 6.486 -2.716 11.025 1.00 0.00 C ATOM 634 CD1 LEU A 42 7.212 -3.832 10.291 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.551 -2.934 12.528 1.00 0.00 C ATOM 0 H LEU A 42 7.761 0.894 9.864 1.00 0.00 H new ATOM 0 HA LEU A 42 6.517 -1.331 8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.143 -1.484 10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.997 -0.694 11.517 1.00 0.00 H new ATOM 0 HG LEU A 42 5.439 -2.729 10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.776 -4.792 10.566 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.114 -3.684 9.216 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.267 -3.821 10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.124 -3.906 12.773 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.590 -2.901 12.856 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.986 -2.151 13.034 1.00 0.00 H new ATOM 647 N ALA A 43 4.677 0.673 10.417 1.00 0.00 N ATOM 648 CA ALA A 43 3.306 1.033 10.745 1.00 0.00 C ATOM 649 C ALA A 43 2.589 1.621 9.535 1.00 0.00 C ATOM 650 O ALA A 43 1.367 1.524 9.420 1.00 0.00 O ATOM 651 CB ALA A 43 3.284 2.010 11.904 1.00 0.00 C ATOM 0 H ALA A 43 5.380 1.325 10.764 1.00 0.00 H new ATOM 0 HA ALA A 43 2.776 0.127 11.040 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.252 2.272 12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.750 1.551 12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.833 2.911 11.631 1.00 0.00 H new ATOM 657 N GLN A 44 3.354 2.228 8.630 1.00 0.00 N ATOM 658 CA GLN A 44 2.780 2.821 7.429 1.00 0.00 C ATOM 659 C GLN A 44 2.292 1.734 6.478 1.00 0.00 C ATOM 660 O GLN A 44 1.193 1.818 5.929 1.00 0.00 O ATOM 661 CB GLN A 44 3.812 3.709 6.729 1.00 0.00 C ATOM 662 CG GLN A 44 3.676 5.185 7.069 1.00 0.00 C ATOM 663 CD GLN A 44 2.626 5.883 6.226 1.00 0.00 C ATOM 664 OE1 GLN A 44 2.939 6.497 5.205 1.00 0.00 O ATOM 665 NE2 GLN A 44 1.370 5.794 6.649 1.00 0.00 N ATOM 0 H GLN A 44 4.367 2.321 8.706 1.00 0.00 H new ATOM 0 HA GLN A 44 1.929 3.436 7.721 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.812 3.373 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.716 3.583 5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.419 5.289 8.123 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.638 5.677 6.926 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.154 5.275 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.621 6.244 6.122 1.00 0.00 H new ATOM 674 N LEU A 45 3.120 0.711 6.291 1.00 0.00 N ATOM 675 CA LEU A 45 2.783 -0.402 5.413 1.00 0.00 C ATOM 676 C LEU A 45 1.826 -1.370 6.100 1.00 0.00 C ATOM 677 O LEU A 45 1.004 -2.016 5.450 1.00 0.00 O ATOM 678 CB LEU A 45 4.054 -1.134 4.985 1.00 0.00 C ATOM 679 CG LEU A 45 5.146 -0.230 4.413 1.00 0.00 C ATOM 680 CD1 LEU A 45 6.389 -1.031 4.062 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.628 0.523 3.200 1.00 0.00 C ATOM 0 H LEU A 45 4.033 0.631 6.738 1.00 0.00 H new ATOM 0 HA LEU A 45 2.285 -0.002 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.457 -1.669 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.792 -1.883 4.238 1.00 0.00 H new ATOM 0 HG LEU A 45 5.423 0.496 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.150 -0.363 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.773 -1.518 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.137 -1.787 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.417 1.162 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.319 -0.189 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.775 1.137 3.490 1.00 0.00 H new ATOM 692 N LYS A 46 1.940 -1.464 7.420 1.00 0.00 N ATOM 693 CA LYS A 46 1.087 -2.353 8.203 1.00 0.00 C ATOM 694 C LYS A 46 -0.354 -1.849 8.236 1.00 0.00 C ATOM 695 O LYS A 46 -1.278 -2.610 8.524 1.00 0.00 O ATOM 696 CB LYS A 46 1.627 -2.483 9.629 1.00 0.00 C ATOM 697 CG LYS A 46 0.801 -3.404 10.512 1.00 0.00 C ATOM 698 CD LYS A 46 1.526 -3.736 11.806 1.00 0.00 C ATOM 699 CE LYS A 46 2.576 -4.815 11.595 1.00 0.00 C ATOM 700 NZ LYS A 46 3.714 -4.676 12.546 1.00 0.00 N ATOM 0 H LYS A 46 2.615 -0.935 7.972 1.00 0.00 H new ATOM 0 HA LYS A 46 1.094 -3.332 7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.651 -2.855 9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.665 -1.494 10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.154 -2.930 10.740 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.579 -4.324 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.000 -2.837 12.199 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.805 -4.069 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.118 -5.796 11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.949 -4.763 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.531 -5.213 12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.972 -3.672 12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.435 -5.045 13.477 1.00 0.00 H new ATOM 714 N ALA A 47 -0.542 -0.565 7.943 1.00 0.00 N ATOM 715 CA ALA A 47 -1.872 0.036 7.945 1.00 0.00 C ATOM 716 C ALA A 47 -2.841 -0.754 7.069 1.00 0.00 C ATOM 717 O ALA A 47 -3.903 -1.176 7.526 1.00 0.00 O ATOM 718 CB ALA A 47 -1.798 1.481 7.477 1.00 0.00 C ATOM 0 H ALA A 47 0.211 0.079 7.701 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.249 0.012 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.797 1.917 7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.150 2.048 8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.393 1.516 6.465 1.00 0.00 H new ATOM 724 N ASP A 48 -2.469 -0.950 5.809 1.00 0.00 N ATOM 725 CA ASP A 48 -3.307 -1.688 4.871 1.00 0.00 C ATOM 726 C ASP A 48 -3.360 -3.171 5.234 1.00 0.00 C ATOM 727 O ASP A 48 -2.334 -3.851 5.239 1.00 0.00 O ATOM 728 CB ASP A 48 -2.783 -1.520 3.444 1.00 0.00 C ATOM 729 CG ASP A 48 -2.556 -0.066 3.079 1.00 0.00 C ATOM 730 OD1 ASP A 48 -3.528 0.601 2.668 1.00 0.00 O ATOM 731 OD2 ASP A 48 -1.406 0.406 3.204 1.00 0.00 O ATOM 0 H ASP A 48 -1.593 -0.608 5.414 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.317 -1.282 4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.848 -2.069 3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.494 -1.961 2.745 1.00 0.00 H new ATOM 736 N PRO A 49 -4.560 -3.697 5.542 1.00 0.00 N ATOM 737 CA PRO A 49 -4.735 -5.102 5.905 1.00 0.00 C ATOM 738 C PRO A 49 -4.812 -6.013 4.683 1.00 0.00 C ATOM 739 O PRO A 49 -5.766 -6.774 4.521 1.00 0.00 O ATOM 740 CB PRO A 49 -6.065 -5.093 6.650 1.00 0.00 C ATOM 741 CG PRO A 49 -6.845 -4.000 6.003 1.00 0.00 C ATOM 742 CD PRO A 49 -5.843 -2.962 5.564 1.00 0.00 C ATOM 0 HA PRO A 49 -3.899 -5.487 6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.576 -6.052 6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.923 -4.904 7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.410 -4.378 5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.566 -3.573 6.700 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.090 -2.558 4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.810 -2.120 6.256 1.00 0.00 H new ATOM 750 N ARG A 50 -3.800 -5.930 3.825 1.00 0.00 N ATOM 751 CA ARG A 50 -3.753 -6.747 2.618 1.00 0.00 C ATOM 752 C ARG A 50 -2.311 -7.061 2.235 1.00 0.00 C ATOM 753 O ARG A 50 -1.897 -8.220 2.232 1.00 0.00 O ATOM 754 CB ARG A 50 -4.457 -6.032 1.464 1.00 0.00 C ATOM 755 CG ARG A 50 -4.864 -6.962 0.332 1.00 0.00 C ATOM 756 CD ARG A 50 -6.339 -7.325 0.412 1.00 0.00 C ATOM 757 NE ARG A 50 -6.586 -8.706 0.004 1.00 0.00 N ATOM 758 CZ ARG A 50 -7.717 -9.361 0.255 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.706 -8.766 0.911 1.00 0.00 N ATOM 760 NH2 ARG A 50 -7.863 -10.615 -0.152 1.00 0.00 N ATOM 0 H ARG A 50 -3.002 -5.306 3.943 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.270 -7.685 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.345 -5.528 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.797 -5.259 1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.657 -6.484 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.262 -7.870 0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.693 -7.180 1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.913 -6.651 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.849 -9.197 -0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.602 -7.801 1.226 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.570 -9.273 1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.108 -11.078 -0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.730 -11.116 0.041 1.00 0.00 H new ATOM 774 N LEU A 51 -1.548 -6.020 1.915 1.00 0.00 N ATOM 775 CA LEU A 51 -0.151 -6.187 1.533 1.00 0.00 C ATOM 776 C LEU A 51 0.657 -6.755 2.697 1.00 0.00 C ATOM 777 O LEU A 51 0.125 -6.958 3.788 1.00 0.00 O ATOM 778 CB LEU A 51 0.429 -4.851 1.065 1.00 0.00 C ATOM 779 CG LEU A 51 -0.451 -4.085 0.073 1.00 0.00 C ATOM 780 CD1 LEU A 51 0.275 -2.858 -0.456 1.00 0.00 C ATOM 781 CD2 LEU A 51 -0.876 -4.992 -1.076 1.00 0.00 C ATOM 0 H LEU A 51 -1.874 -5.053 1.913 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.094 -6.895 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.604 -4.221 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.400 -5.033 0.604 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.346 -3.751 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.369 -2.329 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.526 -2.198 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.189 -3.167 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.501 -4.431 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.009 -5.358 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.440 -5.837 -0.683 1.00 0.00 H new ATOM 793 N VAL A 52 1.935 -7.036 2.457 1.00 0.00 N ATOM 794 CA VAL A 52 2.789 -7.610 3.493 1.00 0.00 C ATOM 795 C VAL A 52 3.994 -6.730 3.809 1.00 0.00 C ATOM 796 O VAL A 52 4.800 -6.426 2.932 1.00 0.00 O ATOM 797 CB VAL A 52 3.288 -9.014 3.080 1.00 0.00 C ATOM 798 CG1 VAL A 52 2.140 -9.840 2.529 1.00 0.00 C ATOM 799 CG2 VAL A 52 4.411 -8.923 2.055 1.00 0.00 C ATOM 0 H VAL A 52 2.399 -6.877 1.563 1.00 0.00 H new ATOM 0 HA VAL A 52 2.174 -7.682 4.390 1.00 0.00 H new ATOM 0 HB VAL A 52 3.683 -9.504 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.506 -10.826 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.369 -9.947 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.719 -9.341 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.740 -9.927 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.050 -8.408 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.248 -8.369 2.480 1.00 0.00 H new ATOM 809 N VAL A 53 4.128 -6.347 5.074 1.00 0.00 N ATOM 810 CA VAL A 53 5.259 -5.529 5.501 1.00 0.00 C ATOM 811 C VAL A 53 6.112 -6.291 6.511 1.00 0.00 C ATOM 812 O VAL A 53 5.721 -6.467 7.665 1.00 0.00 O ATOM 813 CB VAL A 53 4.805 -4.182 6.099 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.650 -4.377 7.071 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.961 -3.456 6.777 1.00 0.00 C ATOM 0 H VAL A 53 3.473 -6.587 5.818 1.00 0.00 H new ATOM 0 HA VAL A 53 5.856 -5.311 4.615 1.00 0.00 H new ATOM 0 HB VAL A 53 4.457 -3.560 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.350 -3.411 7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.807 -4.828 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.965 -5.031 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.606 -2.511 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.357 -4.075 7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.747 -3.262 6.047 1.00 0.00 H new ATOM 825 N GLN A 54 7.275 -6.745 6.060 1.00 0.00 N ATOM 826 CA GLN A 54 8.190 -7.501 6.912 1.00 0.00 C ATOM 827 C GLN A 54 9.586 -6.893 6.889 1.00 0.00 C ATOM 828 O GLN A 54 10.130 -6.613 5.822 1.00 0.00 O ATOM 829 CB GLN A 54 8.251 -8.961 6.463 1.00 0.00 C ATOM 830 CG GLN A 54 6.885 -9.618 6.347 1.00 0.00 C ATOM 831 CD GLN A 54 6.722 -10.402 5.059 1.00 0.00 C ATOM 832 OE1 GLN A 54 7.687 -10.619 4.325 1.00 0.00 O ATOM 833 NE2 GLN A 54 5.498 -10.829 4.776 1.00 0.00 N ATOM 0 H GLN A 54 7.609 -6.603 5.107 1.00 0.00 H new ATOM 0 HA GLN A 54 7.812 -7.457 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.754 -9.015 5.498 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.858 -9.525 7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.734 -10.285 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.112 -8.852 6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.727 -10.627 5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.328 -11.360 3.922 1.00 0.00 H new ATOM 842 N ILE A 55 10.160 -6.691 8.072 1.00 0.00 N ATOM 843 CA ILE A 55 11.493 -6.105 8.187 1.00 0.00 C ATOM 844 C ILE A 55 12.585 -7.173 8.126 1.00 0.00 C ATOM 845 O ILE A 55 12.643 -8.076 8.961 1.00 0.00 O ATOM 846 CB ILE A 55 11.640 -5.266 9.485 1.00 0.00 C ATOM 847 CG1 ILE A 55 11.915 -6.151 10.705 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.392 -4.426 9.722 1.00 0.00 C ATOM 849 CD1 ILE A 55 10.828 -7.167 10.982 1.00 0.00 C ATOM 0 H ILE A 55 9.724 -6.924 8.964 1.00 0.00 H new ATOM 0 HA ILE A 55 11.616 -5.439 7.333 1.00 0.00 H new ATOM 0 HB ILE A 55 12.497 -4.606 9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.859 -6.675 10.556 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.037 -5.516 11.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.513 -3.845 10.636 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.243 -3.751 8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.526 -5.081 9.820 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.095 -7.755 11.860 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.885 -6.651 11.164 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.720 -7.828 10.122 1.00 0.00 H new ATOM 861 N THR A 56 13.448 -7.056 7.123 1.00 0.00 N ATOM 862 CA THR A 56 14.545 -7.995 6.937 1.00 0.00 C ATOM 863 C THR A 56 15.880 -7.260 6.929 1.00 0.00 C ATOM 864 O THR A 56 16.232 -6.606 5.947 1.00 0.00 O ATOM 865 CB THR A 56 14.367 -8.771 5.632 1.00 0.00 C ATOM 866 OG1 THR A 56 13.830 -7.937 4.622 1.00 0.00 O ATOM 867 CG2 THR A 56 13.457 -9.972 5.768 1.00 0.00 C ATOM 0 H THR A 56 13.407 -6.315 6.423 1.00 0.00 H new ATOM 0 HA THR A 56 14.538 -8.700 7.769 1.00 0.00 H new ATOM 0 HB THR A 56 15.365 -9.121 5.366 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.341 -7.102 4.582 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.375 -10.477 4.805 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.871 -10.661 6.505 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.469 -9.645 6.092 1.00 0.00 H new ATOM 1312 N LEU A 89 19.296 -10.869 -37.366 1.00 0.00 N ATOM 1313 CA LEU A 89 18.437 -10.047 -38.221 1.00 0.00 C ATOM 1314 C LEU A 89 17.716 -10.899 -39.264 1.00 0.00 C ATOM 1315 O LEU A 89 16.501 -10.790 -39.434 1.00 0.00 O ATOM 1316 CB LEU A 89 19.243 -8.942 -38.913 1.00 0.00 C ATOM 1317 CG LEU A 89 18.454 -7.673 -39.241 1.00 0.00 C ATOM 1318 CD1 LEU A 89 18.675 -6.614 -38.171 1.00 0.00 C ATOM 1319 CD2 LEU A 89 18.845 -7.137 -40.610 1.00 0.00 C ATOM 0 HA LEU A 89 17.689 -9.582 -37.578 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.085 -8.673 -38.275 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.659 -9.342 -39.838 1.00 0.00 H new ATOM 0 HG LEU A 89 17.394 -7.926 -39.261 1.00 0.00 H new ATOM 0 HD11 LEU A 89 18.106 -5.719 -38.422 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.343 -6.997 -37.206 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.735 -6.367 -38.117 1.00 0.00 H new ATOM 0 HD21 LEU A 89 18.273 -6.234 -40.824 1.00 0.00 H new ATOM 0 HD22 LEU A 89 19.909 -6.902 -40.618 1.00 0.00 H new ATOM 0 HD23 LEU A 89 18.633 -7.890 -41.369 1.00 0.00 H new ATOM 1331 N ASN A 90 18.468 -11.744 -39.967 1.00 0.00 N ATOM 1332 CA ASN A 90 17.897 -12.609 -40.998 1.00 0.00 C ATOM 1333 C ASN A 90 16.659 -13.347 -40.487 1.00 0.00 C ATOM 1334 O ASN A 90 15.632 -13.390 -41.164 1.00 0.00 O ATOM 1335 CB ASN A 90 18.943 -13.618 -41.478 1.00 0.00 C ATOM 1336 CG ASN A 90 18.926 -13.795 -42.984 1.00 0.00 C ATOM 1337 OD1 ASN A 90 17.864 -13.905 -43.597 1.00 0.00 O ATOM 1338 ND2 ASN A 90 20.108 -13.823 -43.589 1.00 0.00 N ATOM 0 H ASN A 90 19.475 -11.848 -39.841 1.00 0.00 H new ATOM 0 HA ASN A 90 17.593 -11.977 -41.832 1.00 0.00 H new ATOM 0 HB2 ASN A 90 19.933 -13.288 -41.165 1.00 0.00 H new ATOM 0 HB3 ASN A 90 18.762 -14.581 -41.000 1.00 0.00 H new ATOM 0 HD21 ASN A 90 20.160 -13.939 -44.601 1.00 0.00 H new ATOM 0 HD22 ASN A 90 20.963 -13.728 -43.042 1.00 0.00 H new ATOM 1345 N THR A 91 16.765 -13.934 -39.298 1.00 0.00 N ATOM 1346 CA THR A 91 15.652 -14.679 -38.713 1.00 0.00 C ATOM 1347 C THR A 91 14.428 -13.790 -38.459 1.00 0.00 C ATOM 1348 O THR A 91 13.337 -14.299 -38.196 1.00 0.00 O ATOM 1349 CB THR A 91 16.091 -15.337 -37.404 1.00 0.00 C ATOM 1350 OG1 THR A 91 16.782 -14.411 -36.585 1.00 0.00 O ATOM 1351 CG2 THR A 91 16.995 -16.533 -37.610 1.00 0.00 C ATOM 0 H THR A 91 17.606 -13.909 -38.722 1.00 0.00 H new ATOM 0 HA THR A 91 15.361 -15.443 -39.434 1.00 0.00 H new ATOM 0 HB THR A 91 15.171 -15.676 -36.927 1.00 0.00 H new ATOM 0 HG1 THR A 91 16.178 -13.680 -36.337 1.00 0.00 H new ATOM 0 HG21 THR A 91 17.270 -16.953 -36.642 1.00 0.00 H new ATOM 0 HG22 THR A 91 16.472 -17.288 -38.197 1.00 0.00 H new ATOM 0 HG23 THR A 91 17.896 -16.221 -38.139 1.00 0.00 H new ATOM 1359 N PHE A 92 14.599 -12.470 -38.538 1.00 0.00 N ATOM 1360 CA PHE A 92 13.494 -11.545 -38.316 1.00 0.00 C ATOM 1361 C PHE A 92 13.182 -10.769 -39.596 1.00 0.00 C ATOM 1362 O PHE A 92 14.053 -10.102 -40.154 1.00 0.00 O ATOM 1363 CB PHE A 92 13.829 -10.580 -37.172 1.00 0.00 C ATOM 1364 CG PHE A 92 14.507 -11.238 -36.005 1.00 0.00 C ATOM 1365 CD1 PHE A 92 15.843 -11.597 -36.071 1.00 0.00 C ATOM 1366 CD2 PHE A 92 13.803 -11.495 -34.840 1.00 0.00 C ATOM 1367 CE1 PHE A 92 16.465 -12.199 -34.995 1.00 0.00 C ATOM 1368 CE2 PHE A 92 14.419 -12.097 -33.761 1.00 0.00 C ATOM 1369 CZ PHE A 92 15.753 -12.450 -33.838 1.00 0.00 C ATOM 0 H PHE A 92 15.489 -12.021 -38.753 1.00 0.00 H new ATOM 0 HA PHE A 92 12.611 -12.120 -38.037 1.00 0.00 H new ATOM 0 HB2 PHE A 92 14.472 -9.787 -37.554 1.00 0.00 H new ATOM 0 HB3 PHE A 92 12.910 -10.107 -36.827 1.00 0.00 H new ATOM 0 HD1 PHE A 92 16.404 -11.404 -36.973 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.760 -11.221 -34.775 1.00 0.00 H new ATOM 0 HE1 PHE A 92 17.508 -12.473 -35.058 1.00 0.00 H new ATOM 0 HE2 PHE A 92 13.859 -12.292 -32.858 1.00 0.00 H new ATOM 0 HZ PHE A 92 16.238 -12.921 -32.996 1.00 0.00 H new ATOM 1379 N THR A 93 11.938 -10.872 -40.062 1.00 0.00 N ATOM 1380 CA THR A 93 11.518 -10.190 -41.285 1.00 0.00 C ATOM 1381 C THR A 93 11.096 -8.741 -41.004 1.00 0.00 C ATOM 1382 O THR A 93 11.948 -7.858 -40.901 1.00 0.00 O ATOM 1383 CB THR A 93 10.383 -10.971 -41.959 1.00 0.00 C ATOM 1384 OG1 THR A 93 10.809 -12.281 -42.291 1.00 0.00 O ATOM 1385 CG2 THR A 93 9.874 -10.320 -43.227 1.00 0.00 C ATOM 0 H THR A 93 11.205 -11.420 -39.612 1.00 0.00 H new ATOM 0 HA THR A 93 12.370 -10.153 -41.964 1.00 0.00 H new ATOM 0 HB THR A 93 9.572 -10.988 -41.231 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.072 -12.766 -42.718 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.073 -10.926 -43.651 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.494 -9.324 -42.998 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.688 -10.240 -43.947 1.00 0.00 H new ATOM 1393 N VAL A 94 9.789 -8.491 -40.885 1.00 0.00 N ATOM 1394 CA VAL A 94 9.291 -7.144 -40.623 1.00 0.00 C ATOM 1395 C VAL A 94 8.095 -7.168 -39.674 1.00 0.00 C ATOM 1396 O VAL A 94 8.118 -6.542 -38.615 1.00 0.00 O ATOM 1397 CB VAL A 94 8.890 -6.430 -41.932 1.00 0.00 C ATOM 1398 CG1 VAL A 94 8.468 -4.993 -41.656 1.00 0.00 C ATOM 1399 CG2 VAL A 94 10.035 -6.473 -42.933 1.00 0.00 C ATOM 0 H VAL A 94 9.062 -9.202 -40.966 1.00 0.00 H new ATOM 0 HA VAL A 94 10.105 -6.592 -40.153 1.00 0.00 H new ATOM 0 HB VAL A 94 8.037 -6.955 -42.362 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.190 -4.509 -42.592 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.615 -4.988 -40.978 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.297 -4.452 -41.200 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.736 -5.965 -43.850 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.907 -5.974 -42.510 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.284 -7.510 -43.157 1.00 0.00 H new ATOM 1409 N GLU A 95 7.059 -7.903 -40.057 1.00 0.00 N ATOM 1410 CA GLU A 95 5.853 -8.025 -39.244 1.00 0.00 C ATOM 1411 C GLU A 95 6.114 -8.889 -38.012 1.00 0.00 C ATOM 1412 O GLU A 95 5.378 -8.825 -37.027 1.00 0.00 O ATOM 1413 CB GLU A 95 4.714 -8.625 -40.069 1.00 0.00 C ATOM 1414 CG GLU A 95 4.995 -10.037 -40.556 1.00 0.00 C ATOM 1415 CD GLU A 95 5.579 -10.067 -41.955 1.00 0.00 C ATOM 1416 OE1 GLU A 95 6.803 -9.863 -42.092 1.00 0.00 O ATOM 1417 OE2 GLU A 95 4.810 -10.293 -42.914 1.00 0.00 O ATOM 0 H GLU A 95 7.029 -8.427 -40.931 1.00 0.00 H new ATOM 0 HA GLU A 95 5.565 -7.027 -38.913 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.805 -8.631 -39.468 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.523 -7.984 -40.930 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.686 -10.524 -39.868 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.070 -10.613 -40.540 1.00 0.00 H new ATOM 1424 N GLN A 96 7.168 -9.693 -38.080 1.00 0.00 N ATOM 1425 CA GLN A 96 7.543 -10.573 -36.983 1.00 0.00 C ATOM 1426 C GLN A 96 8.324 -9.801 -35.941 1.00 0.00 C ATOM 1427 O GLN A 96 8.417 -10.207 -34.783 1.00 0.00 O ATOM 1428 CB GLN A 96 8.388 -11.739 -37.503 1.00 0.00 C ATOM 1429 CG GLN A 96 7.979 -13.088 -36.934 1.00 0.00 C ATOM 1430 CD GLN A 96 9.158 -14.022 -36.746 1.00 0.00 C ATOM 1431 OE1 GLN A 96 9.272 -14.700 -35.725 1.00 0.00 O ATOM 1432 NE2 GLN A 96 10.044 -14.061 -37.734 1.00 0.00 N ATOM 0 H GLN A 96 7.783 -9.753 -38.892 1.00 0.00 H new ATOM 0 HA GLN A 96 6.635 -10.969 -36.529 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.313 -11.775 -38.590 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.435 -11.554 -37.261 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.482 -12.938 -35.975 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.253 -13.554 -37.600 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.910 -13.482 -38.563 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.859 -14.670 -37.664 1.00 0.00 H new ATOM 1441 N LEU A 97 8.889 -8.684 -36.368 1.00 0.00 N ATOM 1442 CA LEU A 97 9.669 -7.846 -35.488 1.00 0.00 C ATOM 1443 C LEU A 97 8.739 -7.078 -34.571 1.00 0.00 C ATOM 1444 O LEU A 97 8.805 -7.191 -33.347 1.00 0.00 O ATOM 1445 CB LEU A 97 10.514 -6.857 -36.298 1.00 0.00 C ATOM 1446 CG LEU A 97 11.510 -7.437 -37.309 1.00 0.00 C ATOM 1447 CD1 LEU A 97 10.998 -8.712 -37.964 1.00 0.00 C ATOM 1448 CD2 LEU A 97 11.795 -6.394 -38.367 1.00 0.00 C ATOM 0 H LEU A 97 8.818 -8.339 -37.325 1.00 0.00 H new ATOM 0 HA LEU A 97 10.334 -8.478 -34.900 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.834 -6.197 -36.837 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.071 -6.237 -35.596 1.00 0.00 H new ATOM 0 HG LEU A 97 12.421 -7.700 -36.772 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.741 -9.081 -38.671 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.818 -9.467 -37.199 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.068 -8.502 -38.492 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.503 -6.795 -39.092 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.868 -6.127 -38.874 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.220 -5.507 -37.898 1.00 0.00 H new ATOM 1460 N LYS A 98 7.862 -6.307 -35.190 1.00 0.00 N ATOM 1461 CA LYS A 98 6.884 -5.514 -34.458 1.00 0.00 C ATOM 1462 C LYS A 98 6.015 -6.402 -33.571 1.00 0.00 C ATOM 1463 O LYS A 98 5.497 -5.952 -32.552 1.00 0.00 O ATOM 1464 CB LYS A 98 6.007 -4.729 -35.434 1.00 0.00 C ATOM 1465 CG LYS A 98 5.283 -5.604 -36.444 1.00 0.00 C ATOM 1466 CD LYS A 98 4.933 -4.828 -37.706 1.00 0.00 C ATOM 1467 CE LYS A 98 6.174 -4.249 -38.369 1.00 0.00 C ATOM 1468 NZ LYS A 98 6.146 -4.419 -39.847 1.00 0.00 N ATOM 0 H LYS A 98 7.806 -6.212 -36.204 1.00 0.00 H new ATOM 0 HA LYS A 98 7.422 -4.814 -33.819 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.271 -4.157 -34.868 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.627 -4.010 -35.968 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.910 -6.457 -36.703 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.372 -6.001 -35.996 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.418 -5.485 -38.407 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.242 -4.022 -37.459 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.253 -3.189 -38.127 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.062 -4.735 -37.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.966 -3.938 -40.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.182 -5.432 -40.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.270 -4.007 -40.227 1.00 0.00 H new ATOM 1482 N ALA A 99 5.855 -7.665 -33.962 1.00 0.00 N ATOM 1483 CA ALA A 99 5.042 -8.601 -33.191 1.00 0.00 C ATOM 1484 C ALA A 99 5.839 -9.241 -32.064 1.00 0.00 C ATOM 1485 O ALA A 99 5.275 -9.720 -31.080 1.00 0.00 O ATOM 1486 CB ALA A 99 4.451 -9.667 -34.100 1.00 0.00 C ATOM 0 H ALA A 99 6.275 -8.061 -34.803 1.00 0.00 H new ATOM 0 HA ALA A 99 4.228 -8.036 -32.738 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.848 -10.356 -33.509 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.825 -9.194 -34.856 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.256 -10.216 -34.588 1.00 0.00 H new ATOM 1492 N GLN A 100 7.149 -9.238 -32.215 1.00 0.00 N ATOM 1493 CA GLN A 100 8.039 -9.812 -31.212 1.00 0.00 C ATOM 1494 C GLN A 100 8.378 -8.783 -30.139 1.00 0.00 C ATOM 1495 O GLN A 100 8.469 -9.112 -28.956 1.00 0.00 O ATOM 1496 CB GLN A 100 9.318 -10.334 -31.869 1.00 0.00 C ATOM 1497 CG GLN A 100 9.347 -11.846 -32.025 1.00 0.00 C ATOM 1498 CD GLN A 100 10.355 -12.309 -33.059 1.00 0.00 C ATOM 1499 OE1 GLN A 100 10.548 -11.661 -34.088 1.00 0.00 O ATOM 1500 NE2 GLN A 100 11.003 -13.437 -32.790 1.00 0.00 N ATOM 0 H GLN A 100 7.627 -8.844 -33.025 1.00 0.00 H new ATOM 0 HA GLN A 100 7.524 -10.647 -30.737 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.426 -9.873 -32.851 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.176 -10.022 -31.274 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.584 -12.302 -31.064 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.355 -12.197 -32.308 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.811 -13.941 -31.924 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.692 -13.799 -33.449 1.00 0.00 H new ATOM 1509 N LEU A 101 8.562 -7.535 -30.559 1.00 0.00 N ATOM 1510 CA LEU A 101 8.889 -6.461 -29.631 1.00 0.00 C ATOM 1511 C LEU A 101 7.747 -6.234 -28.647 1.00 0.00 C ATOM 1512 O LEU A 101 7.973 -6.058 -27.449 1.00 0.00 O ATOM 1513 CB LEU A 101 9.187 -5.168 -30.395 1.00 0.00 C ATOM 1514 CG LEU A 101 10.575 -5.102 -31.036 1.00 0.00 C ATOM 1515 CD1 LEU A 101 10.787 -3.754 -31.708 1.00 0.00 C ATOM 1516 CD2 LEU A 101 11.654 -5.357 -29.995 1.00 0.00 C ATOM 0 H LEU A 101 8.490 -7.244 -31.534 1.00 0.00 H new ATOM 0 HA LEU A 101 9.778 -6.753 -29.071 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.436 -5.043 -31.175 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.079 -4.326 -29.711 1.00 0.00 H new ATOM 0 HG LEU A 101 10.642 -5.879 -31.797 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.779 -3.724 -32.159 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.033 -3.610 -32.481 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.702 -2.960 -30.966 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.635 -5.306 -30.468 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.589 -4.602 -29.212 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.512 -6.346 -29.559 1.00 0.00 H new ATOM 1528 N THR A 102 6.518 -6.251 -29.155 1.00 0.00 N ATOM 1529 CA THR A 102 5.347 -6.059 -28.308 1.00 0.00 C ATOM 1530 C THR A 102 5.215 -7.218 -27.339 1.00 0.00 C ATOM 1531 O THR A 102 4.888 -7.033 -26.167 1.00 0.00 O ATOM 1532 CB THR A 102 4.073 -5.961 -29.147 1.00 0.00 C ATOM 1533 OG1 THR A 102 3.674 -7.241 -29.601 1.00 0.00 O ATOM 1534 CG2 THR A 102 4.217 -5.073 -30.357 1.00 0.00 C ATOM 0 H THR A 102 6.309 -6.395 -30.143 1.00 0.00 H new ATOM 0 HA THR A 102 5.478 -5.127 -27.758 1.00 0.00 H new ATOM 0 HB THR A 102 3.326 -5.523 -28.484 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.856 -7.159 -30.135 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.275 -5.050 -30.906 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.476 -4.063 -30.039 1.00 0.00 H new ATOM 0 HG23 THR A 102 5.004 -5.463 -31.003 1.00 0.00 H new ATOM 1542 N GLU A 103 5.471 -8.418 -27.844 1.00 0.00 N ATOM 1543 CA GLU A 103 5.378 -9.613 -27.026 1.00 0.00 C ATOM 1544 C GLU A 103 6.557 -9.721 -26.065 1.00 0.00 C ATOM 1545 O GLU A 103 6.590 -10.598 -25.202 1.00 0.00 O ATOM 1546 CB GLU A 103 5.293 -10.863 -27.905 1.00 0.00 C ATOM 1547 CG GLU A 103 4.261 -11.872 -27.427 1.00 0.00 C ATOM 1548 CD GLU A 103 4.873 -12.978 -26.590 1.00 0.00 C ATOM 1549 OE1 GLU A 103 5.504 -13.885 -27.173 1.00 0.00 O ATOM 1550 OE2 GLU A 103 4.720 -12.938 -25.350 1.00 0.00 O ATOM 0 H GLU A 103 5.743 -8.586 -28.813 1.00 0.00 H new ATOM 0 HA GLU A 103 4.466 -9.538 -26.434 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.052 -10.564 -28.925 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.271 -11.343 -27.936 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.499 -11.358 -26.842 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.759 -12.310 -28.290 1.00 0.00 H new ATOM 1557 N ARG A 104 7.521 -8.824 -26.219 1.00 0.00 N ATOM 1558 CA ARG A 104 8.703 -8.810 -25.365 1.00 0.00 C ATOM 1559 C ARG A 104 8.648 -7.655 -24.366 1.00 0.00 C ATOM 1560 O ARG A 104 9.397 -7.634 -23.389 1.00 0.00 O ATOM 1561 CB ARG A 104 9.970 -8.703 -26.214 1.00 0.00 C ATOM 1562 CG ARG A 104 10.451 -10.038 -26.760 1.00 0.00 C ATOM 1563 CD ARG A 104 11.943 -10.014 -27.050 1.00 0.00 C ATOM 1564 NE ARG A 104 12.482 -11.357 -27.258 1.00 0.00 N ATOM 1565 CZ ARG A 104 13.775 -11.658 -27.175 1.00 0.00 C ATOM 1566 NH1 ARG A 104 14.666 -10.715 -26.891 1.00 0.00 N ATOM 1567 NH2 ARG A 104 14.181 -12.904 -27.377 1.00 0.00 N ATOM 0 H ARG A 104 7.508 -8.093 -26.930 1.00 0.00 H new ATOM 0 HA ARG A 104 8.723 -9.746 -24.806 1.00 0.00 H new ATOM 0 HB2 ARG A 104 9.783 -8.025 -27.047 1.00 0.00 H new ATOM 0 HB3 ARG A 104 10.763 -8.258 -25.613 1.00 0.00 H new ATOM 0 HG2 ARG A 104 10.231 -10.827 -26.041 1.00 0.00 H new ATOM 0 HG3 ARG A 104 9.905 -10.277 -27.673 1.00 0.00 H new ATOM 0 HD2 ARG A 104 12.130 -9.407 -27.936 1.00 0.00 H new ATOM 0 HD3 ARG A 104 12.466 -9.538 -26.221 1.00 0.00 H new ATOM 0 HE ARG A 104 11.828 -12.108 -27.480 1.00 0.00 H new ATOM 0 HH11 ARG A 104 14.360 -9.755 -26.735 1.00 0.00 H new ATOM 0 HH12 ARG A 104 15.656 -10.951 -26.829 1.00 0.00 H new ATOM 0 HH21 ARG A 104 13.502 -13.633 -27.596 1.00 0.00 H new ATOM 0 HH22 ARG A 104 15.173 -13.134 -27.313 1.00 0.00 H new ATOM 1581 N GLY A 105 7.759 -6.696 -24.614 1.00 0.00 N ATOM 1582 CA GLY A 105 7.630 -5.557 -23.725 1.00 0.00 C ATOM 1583 C GLY A 105 8.546 -4.413 -24.108 1.00 0.00 C ATOM 1584 O GLY A 105 9.163 -3.789 -23.245 1.00 0.00 O ATOM 0 H GLY A 105 7.127 -6.689 -25.414 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.597 -5.209 -23.734 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.852 -5.870 -22.705 1.00 0.00 H new ATOM 1588 N ILE A 106 8.637 -4.137 -25.405 1.00 0.00 N ATOM 1589 CA ILE A 106 9.487 -3.061 -25.899 1.00 0.00 C ATOM 1590 C ILE A 106 8.712 -2.125 -26.822 1.00 0.00 C ATOM 1591 O ILE A 106 8.629 -2.358 -28.029 1.00 0.00 O ATOM 1592 CB ILE A 106 10.708 -3.615 -26.660 1.00 0.00 C ATOM 1593 CG1 ILE A 106 11.416 -4.684 -25.826 1.00 0.00 C ATOM 1594 CG2 ILE A 106 11.668 -2.490 -27.016 1.00 0.00 C ATOM 1595 CD1 ILE A 106 12.062 -4.143 -24.569 1.00 0.00 C ATOM 0 H ILE A 106 8.132 -4.644 -26.132 1.00 0.00 H new ATOM 0 HA ILE A 106 9.830 -2.505 -25.027 1.00 0.00 H new ATOM 0 HB ILE A 106 10.361 -4.075 -27.585 1.00 0.00 H new ATOM 0 HG12 ILE A 106 10.696 -5.455 -25.551 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.179 -5.164 -26.439 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.524 -2.899 -27.553 1.00 0.00 H new ATOM 0 HG22 ILE A 106 11.158 -1.762 -27.647 1.00 0.00 H new ATOM 0 HG23 ILE A 106 12.011 -2.002 -26.104 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.545 -4.957 -24.029 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.807 -3.393 -24.836 1.00 0.00 H new ATOM 0 HD13 ILE A 106 11.301 -3.688 -23.935 1.00 0.00 H new ATOM 1607 N THR A 107 8.145 -1.065 -26.251 1.00 0.00 N ATOM 1608 CA THR A 107 7.378 -0.097 -27.030 1.00 0.00 C ATOM 1609 C THR A 107 8.231 0.502 -28.144 1.00 0.00 C ATOM 1610 O THR A 107 9.451 0.602 -28.020 1.00 0.00 O ATOM 1611 CB THR A 107 6.851 1.017 -26.124 1.00 0.00 C ATOM 1612 OG1 THR A 107 7.776 1.304 -25.090 1.00 0.00 O ATOM 1613 CG2 THR A 107 5.526 0.683 -25.473 1.00 0.00 C ATOM 0 H THR A 107 8.202 -0.855 -25.254 1.00 0.00 H new ATOM 0 HA THR A 107 6.534 -0.619 -27.481 1.00 0.00 H new ATOM 0 HB THR A 107 6.710 1.877 -26.778 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.421 2.020 -24.523 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.210 1.515 -24.844 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.776 0.505 -26.244 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.637 -0.212 -24.861 1.00 0.00 H new ATOM 1621 N PHE A 108 7.580 0.897 -29.234 1.00 0.00 N ATOM 1622 CA PHE A 108 8.280 1.486 -30.370 1.00 0.00 C ATOM 1623 C PHE A 108 7.361 2.412 -31.158 1.00 0.00 C ATOM 1624 O PHE A 108 7.436 2.480 -32.386 1.00 0.00 O ATOM 1625 CB PHE A 108 8.822 0.386 -31.286 1.00 0.00 C ATOM 1626 CG PHE A 108 7.776 -0.596 -31.727 1.00 0.00 C ATOM 1627 CD1 PHE A 108 7.167 -1.439 -30.809 1.00 0.00 C ATOM 1628 CD2 PHE A 108 7.399 -0.678 -33.057 1.00 0.00 C ATOM 1629 CE1 PHE A 108 6.205 -2.344 -31.211 1.00 0.00 C ATOM 1630 CE2 PHE A 108 6.437 -1.582 -33.465 1.00 0.00 C ATOM 1631 CZ PHE A 108 5.838 -2.416 -32.540 1.00 0.00 C ATOM 0 H PHE A 108 6.570 0.820 -29.354 1.00 0.00 H new ATOM 0 HA PHE A 108 9.113 2.075 -29.985 1.00 0.00 H new ATOM 0 HB2 PHE A 108 9.271 0.846 -32.166 1.00 0.00 H new ATOM 0 HB3 PHE A 108 9.616 -0.150 -30.766 1.00 0.00 H new ATOM 0 HD1 PHE A 108 7.449 -1.387 -29.768 1.00 0.00 H new ATOM 0 HD2 PHE A 108 7.862 -0.028 -33.784 1.00 0.00 H new ATOM 0 HE1 PHE A 108 5.740 -2.995 -30.486 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.153 -1.637 -34.506 1.00 0.00 H new ATOM 0 HZ PHE A 108 5.085 -3.122 -32.856 1.00 0.00 H new ATOM 1641 N LYS A 109 6.495 3.126 -30.446 1.00 0.00 N ATOM 1642 CA LYS A 109 5.563 4.049 -31.081 1.00 0.00 C ATOM 1643 C LYS A 109 6.313 5.146 -31.829 1.00 0.00 C ATOM 1644 O LYS A 109 5.982 5.473 -32.969 1.00 0.00 O ATOM 1645 CB LYS A 109 4.635 4.671 -30.035 1.00 0.00 C ATOM 1646 CG LYS A 109 3.938 3.645 -29.155 1.00 0.00 C ATOM 1647 CD LYS A 109 2.429 3.824 -29.173 1.00 0.00 C ATOM 1648 CE LYS A 109 1.766 2.871 -30.155 1.00 0.00 C ATOM 1649 NZ LYS A 109 0.579 3.484 -30.810 1.00 0.00 N ATOM 0 H LYS A 109 6.420 3.083 -29.430 1.00 0.00 H new ATOM 0 HA LYS A 109 4.964 3.487 -31.798 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.213 5.346 -29.404 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.882 5.274 -30.542 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.190 2.641 -29.497 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.303 3.734 -28.132 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.030 3.654 -28.173 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.187 4.852 -29.442 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.488 2.575 -30.916 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.464 1.964 -29.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.156 2.802 -31.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.121 3.744 -30.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.871 4.336 -31.331 1.00 0.00 H new ATOM 1663 N GLN A 110 7.327 5.708 -31.181 1.00 0.00 N ATOM 1664 CA GLN A 110 8.129 6.766 -31.785 1.00 0.00 C ATOM 1665 C GLN A 110 9.618 6.518 -31.563 1.00 0.00 C ATOM 1666 O GLN A 110 10.422 7.450 -31.577 1.00 0.00 O ATOM 1667 CB GLN A 110 7.737 8.127 -31.206 1.00 0.00 C ATOM 1668 CG GLN A 110 7.919 9.278 -32.180 1.00 0.00 C ATOM 1669 CD GLN A 110 7.060 10.477 -31.833 1.00 0.00 C ATOM 1670 OE1 GLN A 110 7.256 11.118 -30.799 1.00 0.00 O ATOM 1671 NE2 GLN A 110 6.101 10.789 -32.697 1.00 0.00 N ATOM 0 H GLN A 110 7.613 5.449 -30.237 1.00 0.00 H new ATOM 0 HA GLN A 110 7.935 6.764 -32.858 1.00 0.00 H new ATOM 0 HB2 GLN A 110 6.694 8.091 -30.890 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.334 8.319 -30.314 1.00 0.00 H new ATOM 0 HG2 GLN A 110 8.967 9.578 -32.191 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.674 8.939 -33.187 1.00 0.00 H new ATOM 0 HE21 GLN A 110 5.974 10.231 -33.541 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.492 11.587 -32.516 1.00 0.00 H new ATOM 1680 N SER A 111 9.980 5.254 -31.357 1.00 0.00 N ATOM 1681 CA SER A 111 11.373 4.886 -31.131 1.00 0.00 C ATOM 1682 C SER A 111 11.880 3.960 -32.234 1.00 0.00 C ATOM 1683 O SER A 111 13.051 4.010 -32.608 1.00 0.00 O ATOM 1684 CB SER A 111 11.530 4.208 -29.769 1.00 0.00 C ATOM 1685 OG SER A 111 12.745 4.589 -29.145 1.00 0.00 O ATOM 0 H SER A 111 9.328 4.469 -31.342 1.00 0.00 H new ATOM 0 HA SER A 111 11.969 5.799 -31.146 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.690 4.474 -29.128 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.506 3.125 -29.893 1.00 0.00 H new ATOM 0 HG SER A 111 12.820 4.143 -28.276 1.00 0.00 H new ATOM 1691 N ALA A 112 10.991 3.115 -32.751 1.00 0.00 N ATOM 1692 CA ALA A 112 11.354 2.181 -33.809 1.00 0.00 C ATOM 1693 C ALA A 112 10.247 2.075 -34.853 1.00 0.00 C ATOM 1694 O ALA A 112 9.120 1.691 -34.540 1.00 0.00 O ATOM 1695 CB ALA A 112 11.663 0.812 -33.221 1.00 0.00 C ATOM 0 H ALA A 112 10.017 3.059 -32.454 1.00 0.00 H new ATOM 0 HA ALA A 112 12.247 2.561 -34.304 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.933 0.124 -34.022 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.494 0.896 -32.520 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.784 0.434 -32.699 1.00 0.00 H new ATOM 1701 N THR A 113 10.576 2.420 -36.094 1.00 0.00 N ATOM 1702 CA THR A 113 9.611 2.365 -37.185 1.00 0.00 C ATOM 1703 C THR A 113 9.668 1.023 -37.902 1.00 0.00 C ATOM 1704 O THR A 113 8.775 0.190 -37.749 1.00 0.00 O ATOM 1705 CB THR A 113 9.868 3.500 -38.173 1.00 0.00 C ATOM 1706 OG1 THR A 113 11.130 3.349 -38.797 1.00 0.00 O ATOM 1707 CG2 THR A 113 9.837 4.864 -37.525 1.00 0.00 C ATOM 0 H THR A 113 11.504 2.741 -36.369 1.00 0.00 H new ATOM 0 HA THR A 113 8.614 2.480 -36.760 1.00 0.00 H new ATOM 0 HB THR A 113 9.061 3.439 -38.903 1.00 0.00 H new ATOM 0 HG1 THR A 113 11.274 4.086 -39.427 1.00 0.00 H new ATOM 0 HG21 THR A 113 10.026 5.629 -38.278 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.858 5.031 -37.076 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.604 4.917 -36.753 1.00 0.00 H new ATOM 1715 N LYS A 114 10.720 0.814 -38.688 1.00 0.00 N ATOM 1716 CA LYS A 114 10.874 -0.436 -39.421 1.00 0.00 C ATOM 1717 C LYS A 114 12.331 -0.850 -39.533 1.00 0.00 C ATOM 1718 O LYS A 114 12.657 -2.027 -39.395 1.00 0.00 O ATOM 1719 CB LYS A 114 10.244 -0.330 -40.811 1.00 0.00 C ATOM 1720 CG LYS A 114 10.567 0.968 -41.533 1.00 0.00 C ATOM 1721 CD LYS A 114 9.315 1.612 -42.110 1.00 0.00 C ATOM 1722 CE LYS A 114 9.536 3.084 -42.421 1.00 0.00 C ATOM 1723 NZ LYS A 114 9.761 3.318 -43.874 1.00 0.00 N ATOM 0 H LYS A 114 11.472 1.488 -38.832 1.00 0.00 H new ATOM 0 HA LYS A 114 10.353 -1.208 -38.855 1.00 0.00 H new ATOM 0 HB2 LYS A 114 10.585 -1.168 -41.419 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.162 -0.423 -40.718 1.00 0.00 H new ATOM 0 HG2 LYS A 114 11.048 1.660 -40.842 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.279 0.772 -42.335 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.021 1.087 -43.019 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.493 1.508 -41.402 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.671 3.658 -42.091 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.395 3.449 -41.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.907 4.334 -44.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.602 2.790 -44.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.931 2.994 -44.410 1.00 0.00 H new ATOM 1737 N ALA A 115 13.207 0.110 -39.774 1.00 0.00 N ATOM 1738 CA ALA A 115 14.623 -0.187 -39.884 1.00 0.00 C ATOM 1739 C ALA A 115 15.263 -0.251 -38.504 1.00 0.00 C ATOM 1740 O ALA A 115 16.295 -0.895 -38.313 1.00 0.00 O ATOM 1741 CB ALA A 115 15.320 0.850 -40.752 1.00 0.00 C ATOM 0 H ALA A 115 12.965 1.093 -39.896 1.00 0.00 H new ATOM 0 HA ALA A 115 14.735 -1.162 -40.359 1.00 0.00 H new ATOM 0 HB1 ALA A 115 16.381 0.611 -40.823 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.879 0.845 -41.749 1.00 0.00 H new ATOM 0 HB3 ALA A 115 15.200 1.838 -40.307 1.00 0.00 H new ATOM 1747 N GLU A 116 14.639 0.423 -37.543 1.00 0.00 N ATOM 1748 CA GLU A 116 15.144 0.443 -36.177 1.00 0.00 C ATOM 1749 C GLU A 116 14.638 -0.754 -35.378 1.00 0.00 C ATOM 1750 O GLU A 116 15.369 -1.319 -34.568 1.00 0.00 O ATOM 1751 CB GLU A 116 14.747 1.743 -35.473 1.00 0.00 C ATOM 1752 CG GLU A 116 14.813 2.971 -36.367 1.00 0.00 C ATOM 1753 CD GLU A 116 16.236 3.367 -36.710 1.00 0.00 C ATOM 1754 OE1 GLU A 116 17.090 2.464 -36.830 1.00 0.00 O ATOM 1755 OE2 GLU A 116 16.496 4.580 -36.857 1.00 0.00 O ATOM 0 H GLU A 116 13.784 0.961 -37.686 1.00 0.00 H new ATOM 0 HA GLU A 116 16.231 0.384 -36.230 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.733 1.641 -35.087 1.00 0.00 H new ATOM 0 HB3 GLU A 116 15.401 1.895 -34.615 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.262 2.776 -37.287 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.318 3.805 -35.870 1.00 0.00 H new ATOM 1762 N LEU A 117 13.379 -1.131 -35.601 1.00 0.00 N ATOM 1763 CA LEU A 117 12.791 -2.256 -34.878 1.00 0.00 C ATOM 1764 C LEU A 117 13.291 -3.583 -35.425 1.00 0.00 C ATOM 1765 O LEU A 117 13.245 -4.600 -34.733 1.00 0.00 O ATOM 1766 CB LEU A 117 11.252 -2.163 -34.867 1.00 0.00 C ATOM 1767 CG LEU A 117 10.473 -2.893 -35.966 1.00 0.00 C ATOM 1768 CD1 LEU A 117 9.075 -2.303 -36.061 1.00 0.00 C ATOM 1769 CD2 LEU A 117 11.171 -2.799 -37.307 1.00 0.00 C ATOM 0 H LEU A 117 12.754 -0.679 -36.269 1.00 0.00 H new ATOM 0 HA LEU A 117 13.118 -2.204 -33.839 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.903 -2.540 -33.906 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.982 -1.108 -34.913 1.00 0.00 H new ATOM 0 HG LEU A 117 10.416 -3.949 -35.703 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.515 -2.818 -36.841 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.563 -2.425 -35.106 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.143 -1.242 -36.303 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.587 -3.329 -38.059 1.00 0.00 H new ATOM 0 HD22 LEU A 117 11.268 -1.752 -37.594 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.161 -3.248 -37.234 1.00 0.00 H new ATOM 1781 N ILE A 118 13.804 -3.570 -36.649 1.00 0.00 N ATOM 1782 CA ILE A 118 14.345 -4.786 -37.228 1.00 0.00 C ATOM 1783 C ILE A 118 15.770 -5.008 -36.716 1.00 0.00 C ATOM 1784 O ILE A 118 16.207 -6.143 -36.527 1.00 0.00 O ATOM 1785 CB ILE A 118 14.344 -4.772 -38.787 1.00 0.00 C ATOM 1786 CG1 ILE A 118 15.095 -5.989 -39.356 1.00 0.00 C ATOM 1787 CG2 ILE A 118 14.950 -3.490 -39.348 1.00 0.00 C ATOM 1788 CD1 ILE A 118 14.852 -7.290 -38.613 1.00 0.00 C ATOM 0 H ILE A 118 13.855 -2.746 -37.248 1.00 0.00 H new ATOM 0 HA ILE A 118 13.695 -5.604 -36.917 1.00 0.00 H new ATOM 0 HB ILE A 118 13.300 -4.820 -39.096 1.00 0.00 H new ATOM 0 HG12 ILE A 118 14.805 -6.122 -40.398 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.164 -5.776 -39.347 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.929 -3.524 -40.437 1.00 0.00 H new ATOM 0 HG22 ILE A 118 14.374 -2.633 -39.000 1.00 0.00 H new ATOM 0 HG23 ILE A 118 15.981 -3.396 -39.008 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.422 -8.090 -39.085 1.00 0.00 H new ATOM 0 HD12 ILE A 118 15.170 -7.182 -37.576 1.00 0.00 H new ATOM 0 HD13 ILE A 118 13.790 -7.534 -38.644 1.00 0.00 H new ATOM 1800 N ALA A 119 16.481 -3.904 -36.483 1.00 0.00 N ATOM 1801 CA ALA A 119 17.849 -3.949 -35.983 1.00 0.00 C ATOM 1802 C ALA A 119 17.885 -3.998 -34.459 1.00 0.00 C ATOM 1803 O ALA A 119 18.827 -4.522 -33.866 1.00 0.00 O ATOM 1804 CB ALA A 119 18.637 -2.751 -36.491 1.00 0.00 C ATOM 0 H ALA A 119 16.125 -2.961 -36.636 1.00 0.00 H new ATOM 0 HA ALA A 119 18.311 -4.863 -36.357 1.00 0.00 H new ATOM 0 HB1 ALA A 119 19.657 -2.798 -36.109 1.00 0.00 H new ATOM 0 HB2 ALA A 119 18.656 -2.764 -37.581 1.00 0.00 H new ATOM 0 HB3 ALA A 119 18.163 -1.832 -36.147 1.00 0.00 H new ATOM 1810 N LEU A 120 16.858 -3.429 -33.828 1.00 0.00 N ATOM 1811 CA LEU A 120 16.778 -3.387 -32.370 1.00 0.00 C ATOM 1812 C LEU A 120 17.046 -4.757 -31.763 1.00 0.00 C ATOM 1813 O LEU A 120 17.774 -4.873 -30.778 1.00 0.00 O ATOM 1814 CB LEU A 120 15.406 -2.882 -31.921 1.00 0.00 C ATOM 1815 CG LEU A 120 15.327 -2.436 -30.461 1.00 0.00 C ATOM 1816 CD1 LEU A 120 16.266 -1.266 -30.210 1.00 0.00 C ATOM 1817 CD2 LEU A 120 13.898 -2.062 -30.096 1.00 0.00 C ATOM 0 H LEU A 120 16.070 -2.991 -34.305 1.00 0.00 H new ATOM 0 HA LEU A 120 17.545 -2.698 -32.018 1.00 0.00 H new ATOM 0 HB2 LEU A 120 15.118 -2.045 -32.557 1.00 0.00 H new ATOM 0 HB3 LEU A 120 14.674 -3.673 -32.084 1.00 0.00 H new ATOM 0 HG LEU A 120 15.638 -3.268 -29.828 1.00 0.00 H new ATOM 0 HD11 LEU A 120 16.197 -0.961 -29.166 1.00 0.00 H new ATOM 0 HD12 LEU A 120 17.290 -1.567 -30.433 1.00 0.00 H new ATOM 0 HD13 LEU A 120 15.985 -0.430 -30.851 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.859 -1.747 -29.053 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.561 -1.245 -30.735 1.00 0.00 H new ATOM 0 HD23 LEU A 120 13.248 -2.926 -30.238 1.00 0.00 H new ATOM 1829 N PHE A 121 16.454 -5.791 -32.355 1.00 0.00 N ATOM 1830 CA PHE A 121 16.631 -7.160 -31.869 1.00 0.00 C ATOM 1831 C PHE A 121 18.095 -7.461 -31.564 1.00 0.00 C ATOM 1832 O PHE A 121 18.841 -7.917 -32.431 1.00 0.00 O ATOM 1833 CB PHE A 121 16.108 -8.161 -32.893 1.00 0.00 C ATOM 1834 CG PHE A 121 14.614 -8.271 -32.923 1.00 0.00 C ATOM 1835 CD1 PHE A 121 13.872 -8.241 -31.750 1.00 0.00 C ATOM 1836 CD2 PHE A 121 13.951 -8.401 -34.129 1.00 0.00 C ATOM 1837 CE1 PHE A 121 12.495 -8.338 -31.786 1.00 0.00 C ATOM 1838 CE2 PHE A 121 12.579 -8.500 -34.170 1.00 0.00 C ATOM 1839 CZ PHE A 121 11.848 -8.469 -32.997 1.00 0.00 C ATOM 0 H PHE A 121 15.848 -5.709 -33.171 1.00 0.00 H new ATOM 0 HA PHE A 121 16.061 -7.254 -30.945 1.00 0.00 H new ATOM 0 HB2 PHE A 121 16.462 -7.872 -33.883 1.00 0.00 H new ATOM 0 HB3 PHE A 121 16.531 -9.142 -32.677 1.00 0.00 H new ATOM 0 HD1 PHE A 121 14.377 -8.141 -30.800 1.00 0.00 H new ATOM 0 HD2 PHE A 121 14.516 -8.425 -35.049 1.00 0.00 H new ATOM 0 HE1 PHE A 121 11.926 -8.311 -30.868 1.00 0.00 H new ATOM 0 HE2 PHE A 121 12.073 -8.602 -35.119 1.00 0.00 H new ATOM 0 HZ PHE A 121 10.771 -8.547 -33.029 1.00 0.00 H new