USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -70:sc= 0.484 USER MOD Single : A 5 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.59) USER MOD Single : A 8 LYS NZ :NH3+ 153:sc= -0.103 (180deg=-0.501) USER MOD Single : A 12 SER OG : rot -31:sc= 0.402 USER MOD Single : A 26 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 29 HIS : no HD1:sc= -8.87! C(o=-8.9!,f=-7!) USER MOD Single : A 32 SER OG : rot -90:sc= 0.881 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.36! K(o=-3.4!,f=-1.7) USER MOD Single : A 38 GLN : amide:sc= -7.13! K(o=-7.1!,f=-1.8) USER MOD Single : A 50 GLN : amide:sc= -1.92 K(o=-1.9,f=-0.25) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.288 6.508 -4.719 1.00 0.00 N ATOM 2 CA MET A 1 13.608 7.776 -5.014 1.00 0.00 C ATOM 3 C MET A 1 12.102 7.587 -5.193 1.00 0.00 C ATOM 4 O MET A 1 11.636 7.125 -6.236 1.00 0.00 O ATOM 5 CB MET A 1 14.203 8.455 -6.248 1.00 0.00 C ATOM 6 CG MET A 1 13.606 9.829 -6.506 1.00 0.00 C ATOM 7 SD MET A 1 14.344 10.668 -7.919 1.00 0.00 S ATOM 8 CE MET A 1 13.486 12.241 -7.842 1.00 0.00 C ATOM 0 H1 MET A 1 15.307 6.679 -4.605 1.00 0.00 H new ATOM 0 H2 MET A 1 13.904 6.104 -3.841 1.00 0.00 H new ATOM 0 H3 MET A 1 14.135 5.841 -5.502 1.00 0.00 H new ATOM 0 HA MET A 1 13.767 8.423 -4.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.281 8.550 -6.121 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.039 7.822 -7.120 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.533 9.727 -6.671 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.734 10.447 -5.617 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.829 12.883 -8.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.413 12.075 -7.939 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.694 12.722 -6.886 1.00 0.00 H new ATOM 18 N SER A 2 11.349 7.968 -4.167 1.00 0.00 N ATOM 19 CA SER A 2 9.900 7.781 -4.145 1.00 0.00 C ATOM 20 C SER A 2 9.561 6.294 -4.106 1.00 0.00 C ATOM 21 O SER A 2 8.473 5.863 -4.489 1.00 0.00 O ATOM 22 CB SER A 2 9.235 8.480 -5.333 1.00 0.00 C ATOM 23 OG SER A 2 9.438 9.886 -5.268 1.00 0.00 O ATOM 0 H SER A 2 11.723 8.414 -3.329 1.00 0.00 H new ATOM 0 HA SER A 2 9.504 8.242 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.644 8.091 -6.265 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.167 8.262 -5.338 1.00 0.00 H new ATOM 0 HG SER A 2 8.915 10.258 -4.528 1.00 0.00 H new ATOM 29 N ALA A 3 10.527 5.531 -3.631 1.00 0.00 N ATOM 30 CA ALA A 3 10.369 4.115 -3.378 1.00 0.00 C ATOM 31 C ALA A 3 10.886 3.821 -1.987 1.00 0.00 C ATOM 32 O ALA A 3 12.039 3.446 -1.788 1.00 0.00 O ATOM 33 CB ALA A 3 11.098 3.291 -4.420 1.00 0.00 C ATOM 0 H ALA A 3 11.457 5.885 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 3 9.315 3.843 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.963 2.231 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.696 3.516 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.161 3.533 -4.397 1.00 0.00 H new ATOM 39 N VAL A 4 10.020 4.033 -1.030 1.00 0.00 N ATOM 40 CA VAL A 4 10.378 3.931 0.372 1.00 0.00 C ATOM 41 C VAL A 4 9.573 2.829 1.018 1.00 0.00 C ATOM 42 O VAL A 4 8.364 2.728 0.797 1.00 0.00 O ATOM 43 CB VAL A 4 10.110 5.253 1.127 1.00 0.00 C ATOM 44 CG1 VAL A 4 10.738 5.225 2.513 1.00 0.00 C ATOM 45 CG2 VAL A 4 10.611 6.444 0.328 1.00 0.00 C ATOM 0 H VAL A 4 9.045 4.282 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 4 11.444 3.712 0.428 1.00 0.00 H new ATOM 0 HB VAL A 4 9.032 5.359 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.535 6.166 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.314 4.402 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.815 5.087 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.411 7.362 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.684 6.346 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.098 6.479 -0.633 1.00 0.00 H new ATOM 55 N GLN A 5 10.240 1.984 1.778 1.00 0.00 N ATOM 56 CA GLN A 5 9.567 0.930 2.492 1.00 0.00 C ATOM 57 C GLN A 5 8.644 1.559 3.514 1.00 0.00 C ATOM 58 O GLN A 5 9.088 2.134 4.508 1.00 0.00 O ATOM 59 CB GLN A 5 10.596 0.031 3.191 1.00 0.00 C ATOM 60 CG GLN A 5 10.121 -1.381 3.510 1.00 0.00 C ATOM 61 CD GLN A 5 8.936 -1.437 4.449 1.00 0.00 C ATOM 62 OE1 GLN A 5 9.088 -1.443 5.670 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.747 -1.513 3.884 1.00 0.00 N ATOM 0 H GLN A 5 11.251 2.011 1.914 1.00 0.00 H new ATOM 0 HA GLN A 5 8.991 0.317 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.482 -0.036 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.902 0.512 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.857 -1.883 2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.947 -1.940 3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.664 -1.505 2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.910 -1.580 4.464 1.00 0.00 H new ATOM 72 N VAL A 6 7.366 1.462 3.245 1.00 0.00 N ATOM 73 CA VAL A 6 6.363 1.922 4.170 1.00 0.00 C ATOM 74 C VAL A 6 5.184 0.993 4.122 1.00 0.00 C ATOM 75 O VAL A 6 4.412 0.877 5.066 1.00 0.00 O ATOM 76 CB VAL A 6 5.902 3.362 3.857 1.00 0.00 C ATOM 77 CG1 VAL A 6 4.855 3.394 2.756 1.00 0.00 C ATOM 78 CG2 VAL A 6 5.380 4.011 5.125 1.00 0.00 C ATOM 0 H VAL A 6 6.994 1.064 2.383 1.00 0.00 H new ATOM 0 HA VAL A 6 6.803 1.928 5.167 1.00 0.00 H new ATOM 0 HB VAL A 6 6.759 3.927 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.558 4.425 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.271 2.963 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.984 2.816 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.054 5.028 4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.538 3.435 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.172 4.037 5.873 1.00 0.00 H new ATOM 88 N LEU A 7 5.075 0.298 3.016 1.00 0.00 N ATOM 89 CA LEU A 7 3.942 -0.527 2.767 1.00 0.00 C ATOM 90 C LEU A 7 4.414 -1.957 2.615 1.00 0.00 C ATOM 91 O LEU A 7 5.569 -2.187 2.293 1.00 0.00 O ATOM 92 CB LEU A 7 3.246 -0.003 1.515 1.00 0.00 C ATOM 93 CG LEU A 7 1.732 -0.192 1.498 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.102 0.531 0.337 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.342 -1.645 1.448 1.00 0.00 C ATOM 0 H LEU A 7 5.772 0.295 2.272 1.00 0.00 H new ATOM 0 HA LEU A 7 3.225 -0.503 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.467 1.059 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.670 -0.503 0.644 1.00 0.00 H new ATOM 0 HG LEU A 7 1.362 0.233 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.023 0.376 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.317 1.597 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.509 0.144 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.255 -1.730 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.750 -2.100 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.738 -2.158 2.324 1.00 0.00 H new ATOM 107 N LYS A 8 3.563 -2.908 2.940 1.00 0.00 N ATOM 108 CA LYS A 8 3.868 -4.290 2.730 1.00 0.00 C ATOM 109 C LYS A 8 2.595 -5.054 2.450 1.00 0.00 C ATOM 110 O LYS A 8 1.504 -4.634 2.834 1.00 0.00 O ATOM 111 CB LYS A 8 4.571 -4.871 3.954 1.00 0.00 C ATOM 112 CG LYS A 8 3.866 -4.585 5.267 1.00 0.00 C ATOM 113 CD LYS A 8 4.671 -3.629 6.135 1.00 0.00 C ATOM 114 CE LYS A 8 4.249 -2.187 5.885 1.00 0.00 C ATOM 115 NZ LYS A 8 2.857 -1.931 6.350 1.00 0.00 N ATOM 0 H LYS A 8 2.647 -2.736 3.355 1.00 0.00 H new ATOM 0 HA LYS A 8 4.536 -4.379 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.661 -5.950 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.583 -4.470 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.883 -4.158 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.704 -5.519 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.528 -3.877 7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.734 -3.744 5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.934 -1.513 6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.323 -1.966 4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.753 -0.926 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.188 -2.173 5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.658 -2.515 7.187 1.00 0.00 H new ATOM 129 N PHE A 9 2.756 -6.166 1.786 1.00 0.00 N ATOM 130 CA PHE A 9 1.663 -7.093 1.565 1.00 0.00 C ATOM 131 C PHE A 9 2.057 -8.402 2.203 1.00 0.00 C ATOM 132 O PHE A 9 2.838 -9.174 1.652 1.00 0.00 O ATOM 133 CB PHE A 9 1.256 -7.256 0.069 1.00 0.00 C ATOM 134 CG PHE A 9 2.378 -7.508 -0.904 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.538 -6.759 -0.868 1.00 0.00 C ATOM 136 CD2 PHE A 9 2.255 -8.488 -1.872 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.551 -6.976 -1.763 1.00 0.00 C ATOM 138 CE2 PHE A 9 3.267 -8.716 -2.780 1.00 0.00 C ATOM 139 CZ PHE A 9 4.416 -7.959 -2.725 1.00 0.00 C ATOM 0 H PHE A 9 3.644 -6.461 1.381 1.00 0.00 H new ATOM 0 HA PHE A 9 0.759 -6.694 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.547 -8.081 -0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.729 -6.354 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.648 -5.988 -0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.354 -9.082 -1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.452 -6.382 -1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.159 -9.485 -3.531 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.212 -8.134 -3.434 1.00 0.00 H new ATOM 149 N PRO A 10 1.592 -8.569 3.449 1.00 0.00 N ATOM 150 CA PRO A 10 1.818 -9.729 4.297 1.00 0.00 C ATOM 151 C PRO A 10 2.048 -11.028 3.547 1.00 0.00 C ATOM 152 O PRO A 10 1.092 -11.726 3.218 1.00 0.00 O ATOM 153 CB PRO A 10 0.488 -9.820 5.021 1.00 0.00 C ATOM 154 CG PRO A 10 -0.043 -8.419 5.096 1.00 0.00 C ATOM 155 CD PRO A 10 0.781 -7.579 4.165 1.00 0.00 C ATOM 0 HA PRO A 10 2.713 -9.609 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.203 -10.470 4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.615 -10.242 6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.094 -8.391 4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.021 -8.038 6.115 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.156 -7.002 3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.402 -6.867 4.708 1.00 0.00 H new ATOM 163 N LEU A 11 3.310 -11.407 3.375 1.00 0.00 N ATOM 164 CA LEU A 11 3.646 -12.598 2.601 1.00 0.00 C ATOM 165 C LEU A 11 3.169 -13.848 3.334 1.00 0.00 C ATOM 166 O LEU A 11 3.164 -14.953 2.795 1.00 0.00 O ATOM 167 CB LEU A 11 5.167 -12.644 2.307 1.00 0.00 C ATOM 168 CG LEU A 11 6.126 -12.747 3.503 1.00 0.00 C ATOM 169 CD1 LEU A 11 6.047 -14.108 4.123 1.00 0.00 C ATOM 170 CD2 LEU A 11 7.554 -12.463 3.078 1.00 0.00 C ATOM 0 H LEU A 11 4.114 -10.910 3.759 1.00 0.00 H new ATOM 0 HA LEU A 11 3.133 -12.559 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.356 -13.495 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.427 -11.746 1.746 1.00 0.00 H new ATOM 0 HG LEU A 11 5.824 -12.001 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.733 -14.163 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.030 -14.292 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.321 -14.861 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.213 -12.542 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.859 -13.186 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.617 -11.457 2.664 1.00 0.00 H new ATOM 182 N SER A 12 2.760 -13.636 4.570 1.00 0.00 N ATOM 183 CA SER A 12 2.353 -14.701 5.459 1.00 0.00 C ATOM 184 C SER A 12 0.826 -14.835 5.527 1.00 0.00 C ATOM 185 O SER A 12 0.306 -15.751 6.170 1.00 0.00 O ATOM 186 CB SER A 12 2.925 -14.397 6.847 1.00 0.00 C ATOM 187 OG SER A 12 2.514 -15.345 7.817 1.00 0.00 O ATOM 0 H SER A 12 2.701 -12.707 4.988 1.00 0.00 H new ATOM 0 HA SER A 12 2.734 -15.651 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.014 -14.383 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.608 -13.401 7.158 1.00 0.00 H new ATOM 0 HG SER A 12 1.626 -15.687 7.584 1.00 0.00 H new ATOM 193 N VAL A 13 0.096 -13.940 4.864 1.00 0.00 N ATOM 194 CA VAL A 13 -1.352 -13.932 4.987 1.00 0.00 C ATOM 195 C VAL A 13 -2.012 -13.794 3.635 1.00 0.00 C ATOM 196 O VAL A 13 -1.361 -13.744 2.590 1.00 0.00 O ATOM 197 CB VAL A 13 -1.865 -12.791 5.918 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.894 -12.521 7.041 1.00 0.00 C ATOM 199 CG2 VAL A 13 -2.161 -11.507 5.150 1.00 0.00 C ATOM 0 H VAL A 13 0.479 -13.224 4.247 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.622 -14.889 5.435 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.804 -13.140 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.281 -11.721 7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.767 -13.424 7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.069 -12.223 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.515 -10.743 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.252 -11.159 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.927 -11.700 4.400 1.00 0.00 H new ATOM 209 N ASP A 14 -3.316 -13.725 3.702 1.00 0.00 N ATOM 210 CA ASP A 14 -4.177 -13.503 2.580 1.00 0.00 C ATOM 211 C ASP A 14 -4.110 -12.037 2.140 1.00 0.00 C ATOM 212 O ASP A 14 -5.103 -11.306 2.160 1.00 0.00 O ATOM 213 CB ASP A 14 -5.580 -13.905 3.019 1.00 0.00 C ATOM 214 CG ASP A 14 -6.052 -13.167 4.263 1.00 0.00 C ATOM 215 OD1 ASP A 14 -5.485 -13.408 5.354 1.00 0.00 O ATOM 216 OD2 ASP A 14 -6.995 -12.354 4.166 1.00 0.00 O ATOM 0 H ASP A 14 -3.824 -13.827 4.580 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.874 -14.095 1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.278 -13.714 2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.601 -14.978 3.211 1.00 0.00 H new ATOM 221 N LEU A 15 -2.913 -11.618 1.746 1.00 0.00 N ATOM 222 CA LEU A 15 -2.648 -10.250 1.340 1.00 0.00 C ATOM 223 C LEU A 15 -3.427 -9.833 0.105 1.00 0.00 C ATOM 224 O LEU A 15 -3.355 -8.690 -0.282 1.00 0.00 O ATOM 225 CB LEU A 15 -1.156 -10.088 1.097 1.00 0.00 C ATOM 226 CG LEU A 15 -0.519 -11.229 0.313 1.00 0.00 C ATOM 227 CD1 LEU A 15 -0.893 -11.176 -1.151 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.964 -11.180 0.447 1.00 0.00 C ATOM 0 H LEU A 15 -2.095 -12.226 1.700 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.981 -9.597 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.987 -9.155 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.651 -9.998 2.059 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.896 -12.163 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.420 -12.005 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.976 -11.252 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.553 -10.233 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.408 -12.000 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.333 -10.231 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.238 -11.273 1.498 1.00 0.00 H new ATOM 240 N ALA A 16 -4.170 -10.741 -0.515 1.00 0.00 N ATOM 241 CA ALA A 16 -5.018 -10.373 -1.651 1.00 0.00 C ATOM 242 C ALA A 16 -5.958 -9.243 -1.266 1.00 0.00 C ATOM 243 O ALA A 16 -6.437 -8.493 -2.115 1.00 0.00 O ATOM 244 CB ALA A 16 -5.803 -11.576 -2.146 1.00 0.00 C ATOM 0 H ALA A 16 -4.206 -11.727 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.377 -10.028 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.427 -11.281 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.111 -12.357 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.435 -11.954 -1.342 1.00 0.00 H new ATOM 250 N GLY A 17 -6.199 -9.119 0.028 1.00 0.00 N ATOM 251 CA GLY A 17 -6.973 -8.018 0.530 1.00 0.00 C ATOM 252 C GLY A 17 -6.214 -6.704 0.463 1.00 0.00 C ATOM 253 O GLY A 17 -6.765 -5.696 0.035 1.00 0.00 O ATOM 0 H GLY A 17 -5.867 -9.769 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.895 -7.933 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.259 -8.218 1.563 1.00 0.00 H new ATOM 257 N PHE A 18 -4.942 -6.706 0.860 1.00 0.00 N ATOM 258 CA PHE A 18 -4.172 -5.466 0.894 1.00 0.00 C ATOM 259 C PHE A 18 -3.411 -5.246 -0.399 1.00 0.00 C ATOM 260 O PHE A 18 -3.466 -4.161 -0.970 1.00 0.00 O ATOM 261 CB PHE A 18 -3.185 -5.436 2.050 1.00 0.00 C ATOM 262 CG PHE A 18 -2.670 -4.050 2.337 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.114 -2.960 1.594 1.00 0.00 C ATOM 264 CD2 PHE A 18 -1.765 -3.828 3.360 1.00 0.00 C ATOM 265 CE1 PHE A 18 -2.663 -1.689 1.866 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.307 -2.552 3.633 1.00 0.00 C ATOM 267 CZ PHE A 18 -1.758 -1.483 2.883 1.00 0.00 C ATOM 0 H PHE A 18 -4.431 -7.537 1.157 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.900 -4.666 1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.666 -5.833 2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.345 -6.092 1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.822 -3.114 0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.413 -4.660 3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.019 -0.853 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.598 -2.391 4.431 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.401 -0.486 3.094 1.00 0.00 H new ATOM 277 N VAL A 19 -2.692 -6.252 -0.868 1.00 0.00 N ATOM 278 CA VAL A 19 -1.959 -6.095 -2.101 1.00 0.00 C ATOM 279 C VAL A 19 -2.968 -5.788 -3.187 1.00 0.00 C ATOM 280 O VAL A 19 -2.732 -4.986 -4.072 1.00 0.00 O ATOM 281 CB VAL A 19 -1.139 -7.342 -2.504 1.00 0.00 C ATOM 282 CG1 VAL A 19 -2.005 -8.446 -3.102 1.00 0.00 C ATOM 283 CG2 VAL A 19 -0.045 -6.948 -3.482 1.00 0.00 C ATOM 0 H VAL A 19 -2.604 -7.165 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.234 -5.293 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.695 -7.744 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.378 -9.297 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.751 -8.759 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.505 -8.072 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.529 -7.832 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.494 -6.510 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.616 -6.219 -3.014 1.00 0.00 H new ATOM 293 N GLY A 20 -4.126 -6.418 -3.037 1.00 0.00 N ATOM 294 CA GLY A 20 -5.252 -6.184 -3.911 1.00 0.00 C ATOM 295 C GLY A 20 -5.785 -4.807 -3.732 1.00 0.00 C ATOM 296 O GLY A 20 -6.188 -4.192 -4.689 1.00 0.00 O ATOM 0 H GLY A 20 -4.304 -7.104 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.949 -6.329 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.036 -6.912 -3.703 1.00 0.00 H new ATOM 300 N LEU A 21 -5.685 -4.293 -2.520 1.00 0.00 N ATOM 301 CA LEU A 21 -6.252 -2.994 -2.184 1.00 0.00 C ATOM 302 C LEU A 21 -5.554 -1.889 -2.970 1.00 0.00 C ATOM 303 O LEU A 21 -6.179 -0.968 -3.479 1.00 0.00 O ATOM 304 CB LEU A 21 -6.129 -2.753 -0.680 1.00 0.00 C ATOM 305 CG LEU A 21 -6.781 -1.475 -0.163 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.258 -1.668 1.263 1.00 0.00 C ATOM 307 CD2 LEU A 21 -5.800 -0.319 -0.230 1.00 0.00 C ATOM 0 H LEU A 21 -5.213 -4.757 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.308 -2.983 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.569 -3.602 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.071 -2.731 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.640 -1.245 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.721 -0.748 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.987 -2.478 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.409 -1.917 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.279 0.587 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.928 -0.546 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.488 -0.166 -1.263 1.00 0.00 H new ATOM 319 N LEU A 22 -4.251 -1.996 -3.044 1.00 0.00 N ATOM 320 CA LEU A 22 -3.421 -1.011 -3.725 1.00 0.00 C ATOM 321 C LEU A 22 -3.239 -1.366 -5.183 1.00 0.00 C ATOM 322 O LEU A 22 -2.975 -0.512 -6.037 1.00 0.00 O ATOM 323 CB LEU A 22 -2.091 -0.939 -3.020 1.00 0.00 C ATOM 324 CG LEU A 22 -1.544 -2.287 -2.549 1.00 0.00 C ATOM 325 CD1 LEU A 22 -0.673 -2.915 -3.612 1.00 0.00 C ATOM 326 CD2 LEU A 22 -0.813 -2.156 -1.230 1.00 0.00 C ATOM 0 H LEU A 22 -3.726 -2.769 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.910 -0.037 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.364 -0.481 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.188 -0.280 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.390 -2.953 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.296 -3.873 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.260 -3.072 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.165 -2.254 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.437 -3.132 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.022 -1.465 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.497 -1.776 -0.471 1.00 0.00 H new ATOM 338 N ARG A 23 -3.353 -2.642 -5.451 1.00 0.00 N ATOM 339 CA ARG A 23 -3.436 -3.142 -6.811 1.00 0.00 C ATOM 340 C ARG A 23 -4.736 -2.638 -7.433 1.00 0.00 C ATOM 341 O ARG A 23 -4.879 -2.539 -8.651 1.00 0.00 O ATOM 342 CB ARG A 23 -3.382 -4.660 -6.755 1.00 0.00 C ATOM 343 CG ARG A 23 -3.756 -5.397 -8.020 1.00 0.00 C ATOM 344 CD ARG A 23 -5.191 -5.849 -7.961 1.00 0.00 C ATOM 345 NE ARG A 23 -5.412 -7.066 -8.737 1.00 0.00 N ATOM 346 CZ ARG A 23 -6.574 -7.702 -8.827 1.00 0.00 C ATOM 347 NH1 ARG A 23 -7.671 -7.184 -8.283 1.00 0.00 N ATOM 348 NH2 ARG A 23 -6.637 -8.848 -9.487 1.00 0.00 N ATOM 0 H ARG A 23 -3.391 -3.369 -4.736 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.610 -2.789 -7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.371 -4.955 -6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.044 -4.995 -5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.608 -4.748 -8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.102 -6.259 -8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.474 -6.024 -6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.837 -5.056 -8.338 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.618 -7.455 -9.246 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.624 -6.291 -7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.560 -7.679 -8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.798 -9.234 -9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.525 -9.345 -9.562 1.00 0.00 H new ATOM 362 N ARG A 24 -5.664 -2.310 -6.549 1.00 0.00 N ATOM 363 CA ARG A 24 -6.926 -1.701 -6.903 1.00 0.00 C ATOM 364 C ARG A 24 -6.732 -0.262 -7.347 1.00 0.00 C ATOM 365 O ARG A 24 -7.510 0.256 -8.148 1.00 0.00 O ATOM 366 CB ARG A 24 -7.852 -1.754 -5.699 1.00 0.00 C ATOM 367 CG ARG A 24 -8.511 -3.104 -5.504 1.00 0.00 C ATOM 368 CD ARG A 24 -9.416 -3.377 -6.673 1.00 0.00 C ATOM 369 NE ARG A 24 -10.332 -2.253 -6.879 1.00 0.00 N ATOM 370 CZ ARG A 24 -11.018 -2.035 -7.993 1.00 0.00 C ATOM 371 NH1 ARG A 24 -10.981 -2.922 -8.977 1.00 0.00 N ATOM 372 NH2 ARG A 24 -11.755 -0.936 -8.112 1.00 0.00 N ATOM 0 H ARG A 24 -5.554 -2.465 -5.547 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.364 -2.251 -7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.285 -1.502 -4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.625 -0.994 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.755 -3.885 -5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.081 -3.115 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.821 -3.540 -7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.984 -4.290 -6.497 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.451 -1.591 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.425 -3.771 -8.877 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.508 -2.755 -9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.792 -0.262 -7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.283 -0.766 -8.968 1.00 0.00 H new ATOM 386 N LEU A 25 -5.686 0.381 -6.836 1.00 0.00 N ATOM 387 CA LEU A 25 -5.364 1.726 -7.268 1.00 0.00 C ATOM 388 C LEU A 25 -4.800 1.680 -8.675 1.00 0.00 C ATOM 389 O LEU A 25 -5.389 2.241 -9.599 1.00 0.00 O ATOM 390 CB LEU A 25 -4.382 2.414 -6.307 1.00 0.00 C ATOM 391 CG LEU A 25 -5.029 3.070 -5.086 1.00 0.00 C ATOM 392 CD1 LEU A 25 -6.203 3.939 -5.508 1.00 0.00 C ATOM 393 CD2 LEU A 25 -5.464 2.021 -4.082 1.00 0.00 C ATOM 0 H LEU A 25 -5.058 -0.006 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.279 2.319 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.656 1.677 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.828 3.174 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.289 3.709 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.651 4.398 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.854 4.719 -6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.947 3.324 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.922 2.509 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.187 1.351 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.596 1.448 -3.755 1.00 0.00 H new ATOM 405 N ASN A 26 -3.677 0.977 -8.834 1.00 0.00 N ATOM 406 CA ASN A 26 -3.060 0.776 -10.138 1.00 0.00 C ATOM 407 C ASN A 26 -1.693 0.111 -10.026 1.00 0.00 C ATOM 408 O ASN A 26 -0.904 0.173 -10.967 1.00 0.00 O ATOM 409 CB ASN A 26 -2.932 2.092 -10.918 1.00 0.00 C ATOM 410 CG ASN A 26 -2.032 3.114 -10.250 1.00 0.00 C ATOM 411 OD1 ASN A 26 -0.831 3.159 -10.503 1.00 0.00 O ATOM 412 ND2 ASN A 26 -2.608 3.956 -9.407 1.00 0.00 N ATOM 0 H ASN A 26 -3.175 0.535 -8.064 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.724 0.109 -10.688 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.545 1.877 -11.914 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.924 2.525 -11.048 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.051 4.673 -8.942 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.609 3.888 -9.222 1.00 0.00 H new ATOM 419 N VAL A 27 -1.449 -0.562 -8.888 1.00 0.00 N ATOM 420 CA VAL A 27 -0.212 -1.344 -8.645 1.00 0.00 C ATOM 421 C VAL A 27 1.035 -0.751 -9.344 1.00 0.00 C ATOM 422 O VAL A 27 1.648 -1.363 -10.218 1.00 0.00 O ATOM 423 CB VAL A 27 -0.432 -2.843 -9.032 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.838 -3.000 -10.493 1.00 0.00 C ATOM 425 CG2 VAL A 27 0.793 -3.690 -8.730 1.00 0.00 C ATOM 0 H VAL A 27 -2.103 -0.582 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.003 -1.284 -7.577 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.254 -3.203 -8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.981 -4.057 -10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.769 -2.462 -10.672 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.055 -2.594 -11.134 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.599 -4.724 -9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.645 -3.313 -9.296 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.015 -3.641 -7.664 1.00 0.00 H new ATOM 435 N PRO A 28 1.413 0.470 -8.942 1.00 0.00 N ATOM 436 CA PRO A 28 2.542 1.214 -9.519 1.00 0.00 C ATOM 437 C PRO A 28 3.816 1.145 -8.678 1.00 0.00 C ATOM 438 O PRO A 28 4.647 2.052 -8.726 1.00 0.00 O ATOM 439 CB PRO A 28 1.995 2.626 -9.442 1.00 0.00 C ATOM 440 CG PRO A 28 1.314 2.648 -8.110 1.00 0.00 C ATOM 441 CD PRO A 28 0.720 1.278 -7.921 1.00 0.00 C ATOM 0 HA PRO A 28 2.833 0.839 -10.500 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.789 3.371 -9.502 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.300 2.835 -10.255 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.022 2.879 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.540 3.415 -8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.898 0.896 -6.916 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.359 1.282 -8.074 1.00 0.00 H new ATOM 449 N HIS A 29 3.978 0.078 -7.923 1.00 0.00 N ATOM 450 CA HIS A 29 4.919 0.092 -6.808 1.00 0.00 C ATOM 451 C HIS A 29 6.098 -0.840 -6.978 1.00 0.00 C ATOM 452 O HIS A 29 6.157 -1.644 -7.906 1.00 0.00 O ATOM 453 CB HIS A 29 4.196 -0.295 -5.530 1.00 0.00 C ATOM 454 CG HIS A 29 3.488 -1.618 -5.631 1.00 0.00 C ATOM 455 ND1 HIS A 29 2.119 -1.742 -5.676 1.00 0.00 N ATOM 456 CD2 HIS A 29 3.978 -2.879 -5.700 1.00 0.00 C ATOM 457 CE1 HIS A 29 1.802 -3.021 -5.768 1.00 0.00 C ATOM 458 NE2 HIS A 29 2.909 -3.733 -5.787 1.00 0.00 N ATOM 0 H HIS A 29 3.480 -0.803 -8.053 1.00 0.00 H new ATOM 0 HA HIS A 29 5.313 1.108 -6.768 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.914 -0.336 -4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.471 0.480 -5.280 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.021 -3.160 -5.689 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.799 -3.418 -5.819 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.962 -4.749 -5.855 1.00 0.00 H new ATOM 467 N ARG A 30 7.013 -0.728 -6.025 1.00 0.00 N ATOM 468 CA ARG A 30 8.102 -1.670 -5.886 1.00 0.00 C ATOM 469 C ARG A 30 7.734 -2.749 -4.882 1.00 0.00 C ATOM 470 O ARG A 30 7.138 -2.466 -3.844 1.00 0.00 O ATOM 471 CB ARG A 30 9.374 -0.958 -5.426 1.00 0.00 C ATOM 472 CG ARG A 30 10.489 -1.922 -5.090 1.00 0.00 C ATOM 473 CD ARG A 30 11.670 -1.232 -4.434 1.00 0.00 C ATOM 474 NE ARG A 30 12.731 -2.187 -4.101 1.00 0.00 N ATOM 475 CZ ARG A 30 13.949 -2.177 -4.651 1.00 0.00 C ATOM 476 NH1 ARG A 30 14.281 -1.225 -5.516 1.00 0.00 N ATOM 477 NH2 ARG A 30 14.835 -3.110 -4.321 1.00 0.00 N ATOM 0 H ARG A 30 7.017 0.019 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 30 8.285 -2.127 -6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.710 -0.279 -6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.149 -0.349 -4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.108 -2.696 -4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.822 -2.420 -6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.064 -0.467 -5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.339 -0.723 -3.529 1.00 0.00 H new ATOM 0 HE ARG A 30 12.527 -2.905 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.606 -0.501 -5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.211 -1.218 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.586 -3.834 -3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.764 -3.102 -4.741 1.00 0.00 H new ATOM 491 N VAL A 31 8.064 -3.980 -5.226 1.00 0.00 N ATOM 492 CA VAL A 31 7.902 -5.117 -4.344 1.00 0.00 C ATOM 493 C VAL A 31 9.261 -5.654 -3.913 1.00 0.00 C ATOM 494 O VAL A 31 10.163 -5.844 -4.731 1.00 0.00 O ATOM 495 CB VAL A 31 7.096 -6.241 -5.028 1.00 0.00 C ATOM 496 CG1 VAL A 31 7.179 -7.544 -4.236 1.00 0.00 C ATOM 497 CG2 VAL A 31 5.647 -5.811 -5.208 1.00 0.00 C ATOM 0 H VAL A 31 8.456 -4.219 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 31 7.352 -4.779 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 31 7.533 -6.424 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.601 -8.316 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.220 -7.859 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.776 -7.388 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.087 -6.612 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.207 -5.598 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.608 -4.915 -5.828 1.00 0.00 H new ATOM 507 N SER A 32 9.396 -5.861 -2.623 1.00 0.00 N ATOM 508 CA SER A 32 10.601 -6.427 -2.033 1.00 0.00 C ATOM 509 C SER A 32 10.192 -7.316 -0.863 1.00 0.00 C ATOM 510 O SER A 32 9.026 -7.678 -0.754 1.00 0.00 O ATOM 511 CB SER A 32 11.527 -5.300 -1.566 1.00 0.00 C ATOM 512 OG SER A 32 11.877 -4.449 -2.649 1.00 0.00 O ATOM 0 H SER A 32 8.669 -5.641 -1.942 1.00 0.00 H new ATOM 0 HA SER A 32 11.142 -7.024 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.035 -4.719 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.429 -5.724 -1.126 1.00 0.00 H new ATOM 0 HG SER A 32 12.694 -4.782 -3.076 1.00 0.00 H new ATOM 518 N GLU A 33 11.131 -7.694 -0.015 1.00 0.00 N ATOM 519 CA GLU A 33 10.790 -8.424 1.197 1.00 0.00 C ATOM 520 C GLU A 33 11.463 -7.786 2.407 1.00 0.00 C ATOM 521 O GLU A 33 12.687 -7.667 2.464 1.00 0.00 O ATOM 522 CB GLU A 33 11.158 -9.906 1.078 1.00 0.00 C ATOM 523 CG GLU A 33 12.600 -10.149 0.691 1.00 0.00 C ATOM 524 CD GLU A 33 13.010 -11.595 0.863 1.00 0.00 C ATOM 525 OE1 GLU A 33 12.826 -12.390 -0.083 1.00 0.00 O ATOM 526 OE2 GLU A 33 13.519 -11.949 1.950 1.00 0.00 O ATOM 0 H GLU A 33 12.127 -7.511 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 33 9.710 -8.368 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.960 -10.397 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.509 -10.373 0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.749 -9.854 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.247 -9.516 1.298 1.00 0.00 H new ATOM 533 N GLU A 34 10.652 -7.345 3.358 1.00 0.00 N ATOM 534 CA GLU A 34 11.167 -6.715 4.562 1.00 0.00 C ATOM 535 C GLU A 34 10.777 -7.495 5.805 1.00 0.00 C ATOM 536 O GLU A 34 9.593 -7.606 6.132 1.00 0.00 O ATOM 537 CB GLU A 34 10.691 -5.265 4.670 1.00 0.00 C ATOM 538 CG GLU A 34 11.621 -4.283 3.987 1.00 0.00 C ATOM 539 CD GLU A 34 13.025 -4.338 4.549 1.00 0.00 C ATOM 540 OE1 GLU A 34 13.237 -3.832 5.668 1.00 0.00 O ATOM 541 OE2 GLU A 34 13.919 -4.898 3.880 1.00 0.00 O ATOM 0 H GLU A 34 9.635 -7.412 3.318 1.00 0.00 H new ATOM 0 HA GLU A 34 12.255 -6.716 4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.697 -5.181 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.598 -4.997 5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.651 -4.497 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.226 -3.273 4.099 1.00 0.00 H new ATOM 548 N SER A 35 11.796 -8.057 6.462 1.00 0.00 N ATOM 549 CA SER A 35 11.651 -8.770 7.733 1.00 0.00 C ATOM 550 C SER A 35 10.919 -10.108 7.579 1.00 0.00 C ATOM 551 O SER A 35 11.443 -11.156 7.958 1.00 0.00 O ATOM 552 CB SER A 35 10.943 -7.883 8.761 1.00 0.00 C ATOM 553 OG SER A 35 11.659 -6.671 8.960 1.00 0.00 O ATOM 0 H SER A 35 12.757 -8.029 6.121 1.00 0.00 H new ATOM 0 HA SER A 35 12.655 -9.001 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.931 -7.661 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.852 -8.417 9.707 1.00 0.00 H new ATOM 0 HG SER A 35 11.189 -6.118 9.619 1.00 0.00 H new ATOM 559 N GLY A 36 9.727 -10.070 7.014 1.00 0.00 N ATOM 560 CA GLY A 36 8.924 -11.270 6.888 1.00 0.00 C ATOM 561 C GLY A 36 7.617 -10.994 6.196 1.00 0.00 C ATOM 562 O GLY A 36 6.650 -11.741 6.337 1.00 0.00 O ATOM 0 H GLY A 36 9.296 -9.226 6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.480 -12.023 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.732 -11.685 7.877 1.00 0.00 H new ATOM 566 N GLN A 37 7.585 -9.903 5.458 1.00 0.00 N ATOM 567 CA GLN A 37 6.464 -9.568 4.627 1.00 0.00 C ATOM 568 C GLN A 37 7.022 -9.105 3.314 1.00 0.00 C ATOM 569 O GLN A 37 8.091 -8.496 3.287 1.00 0.00 O ATOM 570 CB GLN A 37 5.614 -8.448 5.236 1.00 0.00 C ATOM 571 CG GLN A 37 5.169 -8.703 6.663 1.00 0.00 C ATOM 572 CD GLN A 37 4.147 -7.691 7.114 1.00 0.00 C ATOM 573 OE1 GLN A 37 4.483 -6.657 7.689 1.00 0.00 O ATOM 574 NE2 GLN A 37 2.889 -7.973 6.828 1.00 0.00 N ATOM 0 H GLN A 37 8.345 -9.224 5.423 1.00 0.00 H new ATOM 0 HA GLN A 37 5.818 -10.439 4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.184 -7.519 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.731 -8.300 4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.748 -9.705 6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.033 -8.669 7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.658 -8.844 6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.149 -7.320 7.086 1.00 0.00 H new ATOM 583 N GLN A 38 6.357 -9.415 2.225 1.00 0.00 N ATOM 584 CA GLN A 38 6.736 -8.812 0.993 1.00 0.00 C ATOM 585 C GLN A 38 6.303 -7.380 1.113 1.00 0.00 C ATOM 586 O GLN A 38 5.233 -7.119 1.635 1.00 0.00 O ATOM 587 CB GLN A 38 6.042 -9.458 -0.192 1.00 0.00 C ATOM 588 CG GLN A 38 5.966 -10.969 -0.171 1.00 0.00 C ATOM 589 CD GLN A 38 4.675 -11.436 -0.804 1.00 0.00 C ATOM 590 OE1 GLN A 38 4.644 -12.438 -1.518 1.00 0.00 O ATOM 591 NE2 GLN A 38 3.585 -10.752 -0.471 1.00 0.00 N ATOM 0 H GLN A 38 5.573 -10.065 2.177 1.00 0.00 H new ATOM 0 HA GLN A 38 7.806 -8.923 0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.028 -9.063 -0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.559 -9.152 -1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.816 -11.391 -0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.027 -11.329 0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.662 -9.927 0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.671 -11.052 -0.810 1.00 0.00 H new ATOM 600 N VAL A 39 7.115 -6.455 0.695 1.00 0.00 N ATOM 601 CA VAL A 39 6.847 -5.079 1.000 1.00 0.00 C ATOM 602 C VAL A 39 6.881 -4.203 -0.224 1.00 0.00 C ATOM 603 O VAL A 39 7.554 -4.483 -1.207 1.00 0.00 O ATOM 604 CB VAL A 39 7.780 -4.570 2.093 1.00 0.00 C ATOM 605 CG1 VAL A 39 7.681 -5.500 3.250 1.00 0.00 C ATOM 606 CG2 VAL A 39 9.176 -4.432 1.611 1.00 0.00 C ATOM 0 H VAL A 39 7.959 -6.623 0.148 1.00 0.00 H new ATOM 0 HA VAL A 39 5.828 -5.025 1.383 1.00 0.00 H new ATOM 0 HB VAL A 39 7.476 -3.569 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.340 -5.159 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.653 -5.522 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.977 -6.502 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.806 -4.067 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.543 -5.402 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.206 -3.726 0.781 1.00 0.00 H new ATOM 616 N LEU A 40 6.123 -3.157 -0.135 1.00 0.00 N ATOM 617 CA LEU A 40 5.805 -2.309 -1.237 1.00 0.00 C ATOM 618 C LEU A 40 6.301 -0.902 -0.956 1.00 0.00 C ATOM 619 O LEU A 40 6.159 -0.381 0.155 1.00 0.00 O ATOM 620 CB LEU A 40 4.300 -2.410 -1.407 1.00 0.00 C ATOM 621 CG LEU A 40 3.621 -1.480 -2.409 1.00 0.00 C ATOM 622 CD1 LEU A 40 2.165 -1.843 -2.511 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.744 -0.024 -2.016 1.00 0.00 C ATOM 0 H LEU A 40 5.693 -2.860 0.741 1.00 0.00 H new ATOM 0 HA LEU A 40 6.291 -2.601 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.066 -3.435 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.843 -2.239 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 40 4.121 -1.606 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.674 -1.182 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.070 -2.875 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.694 -1.735 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.245 0.597 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.278 0.131 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.797 0.250 -1.962 1.00 0.00 H new ATOM 635 N TRP A 41 6.902 -0.301 -1.968 1.00 0.00 N ATOM 636 CA TRP A 41 7.552 0.980 -1.802 1.00 0.00 C ATOM 637 C TRP A 41 7.077 1.946 -2.888 1.00 0.00 C ATOM 638 O TRP A 41 7.549 1.861 -4.023 1.00 0.00 O ATOM 639 CB TRP A 41 9.099 0.845 -1.928 1.00 0.00 C ATOM 640 CG TRP A 41 9.685 -0.368 -1.263 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.159 -1.610 -1.291 1.00 0.00 C ATOM 642 CD2 TRP A 41 10.910 -0.483 -0.523 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.906 -2.473 -0.574 1.00 0.00 N ATOM 644 CE2 TRP A 41 10.992 -1.821 -0.095 1.00 0.00 C ATOM 645 CE3 TRP A 41 11.929 0.397 -0.157 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.028 -2.303 0.673 1.00 0.00 C ATOM 647 CZ3 TRP A 41 12.979 -0.085 0.608 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.019 -1.426 1.021 1.00 0.00 C ATOM 0 H TRP A 41 6.952 -0.683 -2.913 1.00 0.00 H new ATOM 0 HA TRP A 41 7.297 1.353 -0.810 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.362 0.824 -2.986 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.563 1.735 -1.502 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.256 -1.878 -1.820 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.689 -3.457 -0.418 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.900 1.432 -0.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.057 -3.335 0.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.780 0.582 0.891 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.846 -1.771 1.624 1.00 0.00 H new ATOM 659 N VAL A 42 6.116 2.821 -2.586 1.00 0.00 N ATOM 660 CA VAL A 42 5.828 3.929 -3.507 1.00 0.00 C ATOM 661 C VAL A 42 5.620 5.323 -2.873 1.00 0.00 C ATOM 662 O VAL A 42 5.139 6.216 -3.569 1.00 0.00 O ATOM 663 CB VAL A 42 4.604 3.677 -4.405 1.00 0.00 C ATOM 664 CG1 VAL A 42 5.029 3.028 -5.698 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.561 2.836 -3.698 1.00 0.00 C ATOM 0 H VAL A 42 5.541 2.791 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 42 6.755 3.949 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 42 4.148 4.641 -4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.153 2.855 -6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.726 3.682 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.516 2.076 -5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.711 2.678 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.993 1.873 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.228 3.351 -2.797 1.00 0.00 H new ATOM 675 N PRO A 43 5.948 5.591 -1.589 1.00 0.00 N ATOM 676 CA PRO A 43 5.773 6.928 -1.041 1.00 0.00 C ATOM 677 C PRO A 43 7.012 7.807 -1.172 1.00 0.00 C ATOM 678 O PRO A 43 7.736 7.750 -2.158 1.00 0.00 O ATOM 679 CB PRO A 43 5.537 6.594 0.407 1.00 0.00 C ATOM 680 CG PRO A 43 6.543 5.557 0.662 1.00 0.00 C ATOM 681 CD PRO A 43 6.428 4.672 -0.533 1.00 0.00 C ATOM 0 HA PRO A 43 4.991 7.496 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.677 7.462 1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.525 6.228 0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.543 5.980 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.338 5.016 1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.386 4.223 -0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.728 3.854 -0.362 1.00 0.00 H new ATOM 689 N ASP A 44 7.242 8.600 -0.139 1.00 0.00 N ATOM 690 CA ASP A 44 8.359 9.533 -0.086 1.00 0.00 C ATOM 691 C ASP A 44 8.832 9.669 1.351 1.00 0.00 C ATOM 692 O ASP A 44 9.951 9.299 1.692 1.00 0.00 O ATOM 693 CB ASP A 44 7.944 10.909 -0.619 1.00 0.00 C ATOM 694 CG ASP A 44 8.346 11.138 -2.066 1.00 0.00 C ATOM 695 OD1 ASP A 44 7.678 10.600 -2.976 1.00 0.00 O ATOM 696 OD2 ASP A 44 9.325 11.878 -2.298 1.00 0.00 O ATOM 0 H ASP A 44 6.654 8.616 0.695 1.00 0.00 H new ATOM 0 HA ASP A 44 9.166 9.148 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.863 11.015 -0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.394 11.683 0.003 1.00 0.00 H new ATOM 701 N GLU A 45 7.946 10.188 2.189 1.00 0.00 N ATOM 702 CA GLU A 45 8.225 10.368 3.607 1.00 0.00 C ATOM 703 C GLU A 45 6.924 10.643 4.353 1.00 0.00 C ATOM 704 O GLU A 45 6.356 9.754 4.972 1.00 0.00 O ATOM 705 CB GLU A 45 9.208 11.521 3.798 1.00 0.00 C ATOM 706 CG GLU A 45 9.515 11.843 5.245 1.00 0.00 C ATOM 707 CD GLU A 45 10.257 13.149 5.377 1.00 0.00 C ATOM 708 OE1 GLU A 45 9.616 14.207 5.232 1.00 0.00 O ATOM 709 OE2 GLU A 45 11.489 13.127 5.589 1.00 0.00 O ATOM 0 H GLU A 45 7.016 10.496 1.906 1.00 0.00 H new ATOM 0 HA GLU A 45 8.674 9.460 4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.139 11.278 3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.803 12.412 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.586 11.893 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.111 11.040 5.679 1.00 0.00 H new ATOM 716 N ARG A 46 6.440 11.875 4.258 1.00 0.00 N ATOM 717 CA ARG A 46 5.128 12.221 4.783 1.00 0.00 C ATOM 718 C ARG A 46 4.064 11.509 3.967 1.00 0.00 C ATOM 719 O ARG A 46 2.985 11.172 4.451 1.00 0.00 O ATOM 720 CB ARG A 46 4.900 13.730 4.733 1.00 0.00 C ATOM 721 CG ARG A 46 5.312 14.375 3.425 1.00 0.00 C ATOM 722 CD ARG A 46 6.791 14.715 3.464 1.00 0.00 C ATOM 723 NE ARG A 46 7.204 15.572 2.357 1.00 0.00 N ATOM 724 CZ ARG A 46 8.476 15.869 2.077 1.00 0.00 C ATOM 725 NH1 ARG A 46 9.458 15.470 2.883 1.00 0.00 N ATOM 726 NH2 ARG A 46 8.766 16.595 1.005 1.00 0.00 N ATOM 0 H ARG A 46 6.938 12.651 3.822 1.00 0.00 H new ATOM 0 HA ARG A 46 5.070 11.906 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.844 13.933 4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.454 14.198 5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.106 13.699 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.726 15.278 3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.020 15.212 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.372 13.793 3.440 1.00 0.00 H new ATOM 0 HE ARG A 46 6.477 15.968 1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.242 14.933 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.426 15.702 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.018 16.926 0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.737 16.822 0.790 1.00 0.00 H new ATOM 740 N LEU A 47 4.421 11.267 2.713 1.00 0.00 N ATOM 741 CA LEU A 47 3.555 10.605 1.763 1.00 0.00 C ATOM 742 C LEU A 47 3.396 9.131 2.146 1.00 0.00 C ATOM 743 O LEU A 47 2.349 8.541 1.944 1.00 0.00 O ATOM 744 CB LEU A 47 4.160 10.752 0.359 1.00 0.00 C ATOM 745 CG LEU A 47 3.183 10.598 -0.807 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.848 11.005 -2.113 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.687 9.168 -0.901 1.00 0.00 C ATOM 0 H LEU A 47 5.329 11.529 2.329 1.00 0.00 H new ATOM 0 HA LEU A 47 2.565 11.061 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.630 11.733 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.951 10.011 0.246 1.00 0.00 H new ATOM 0 HG LEU A 47 2.330 11.252 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.140 10.890 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.165 12.046 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.717 10.371 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.993 9.078 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.533 8.499 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.178 8.898 0.024 1.00 0.00 H new ATOM 759 N ALA A 48 4.451 8.568 2.719 1.00 0.00 N ATOM 760 CA ALA A 48 4.487 7.170 3.152 1.00 0.00 C ATOM 761 C ALA A 48 3.218 6.750 3.877 1.00 0.00 C ATOM 762 O ALA A 48 2.573 5.742 3.540 1.00 0.00 O ATOM 763 CB ALA A 48 5.688 6.994 4.057 1.00 0.00 C ATOM 0 H ALA A 48 5.319 9.072 2.900 1.00 0.00 H new ATOM 0 HA ALA A 48 4.562 6.533 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.740 5.959 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.597 7.242 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.593 7.654 4.920 1.00 0.00 H new ATOM 769 N GLU A 49 2.837 7.572 4.824 1.00 0.00 N ATOM 770 CA GLU A 49 1.725 7.269 5.703 1.00 0.00 C ATOM 771 C GLU A 49 0.435 7.339 4.924 1.00 0.00 C ATOM 772 O GLU A 49 -0.454 6.505 5.081 1.00 0.00 O ATOM 773 CB GLU A 49 1.683 8.264 6.861 1.00 0.00 C ATOM 774 CG GLU A 49 3.020 8.461 7.544 1.00 0.00 C ATOM 775 CD GLU A 49 2.986 9.570 8.573 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.481 9.337 9.690 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.469 10.682 8.267 1.00 0.00 O ATOM 0 H GLU A 49 3.285 8.469 5.010 1.00 0.00 H new ATOM 0 HA GLU A 49 1.853 6.265 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.330 9.226 6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.956 7.921 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.319 7.530 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.778 8.688 6.794 1.00 0.00 H new ATOM 784 N GLN A 50 0.362 8.311 4.039 1.00 0.00 N ATOM 785 CA GLN A 50 -0.840 8.543 3.291 1.00 0.00 C ATOM 786 C GLN A 50 -0.955 7.521 2.166 1.00 0.00 C ATOM 787 O GLN A 50 -2.043 7.251 1.671 1.00 0.00 O ATOM 788 CB GLN A 50 -0.867 9.989 2.762 1.00 0.00 C ATOM 789 CG GLN A 50 -0.336 10.168 1.350 1.00 0.00 C ATOM 790 CD GLN A 50 -1.451 10.293 0.331 1.00 0.00 C ATOM 791 OE1 GLN A 50 -1.312 10.974 -0.686 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.561 9.623 0.591 1.00 0.00 N ATOM 0 H GLN A 50 1.127 8.951 3.825 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.705 8.419 3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.894 10.353 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.284 10.617 3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.292 11.058 1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.297 9.319 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.635 9.071 1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.343 9.659 -0.063 1.00 0.00 H new ATOM 801 N VAL A 51 0.154 6.885 1.826 1.00 0.00 N ATOM 802 CA VAL A 51 0.188 6.078 0.626 1.00 0.00 C ATOM 803 C VAL A 51 -0.455 4.748 0.931 1.00 0.00 C ATOM 804 O VAL A 51 -1.374 4.325 0.256 1.00 0.00 O ATOM 805 CB VAL A 51 1.628 5.904 0.045 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.368 4.690 0.592 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.583 5.852 -1.474 1.00 0.00 C ATOM 0 H VAL A 51 1.026 6.912 2.355 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.371 6.593 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 51 2.193 6.778 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.360 4.635 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.464 4.780 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.810 3.785 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.594 5.731 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.968 5.010 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.155 6.778 -1.857 1.00 0.00 H new ATOM 817 N ARG A 52 -0.029 4.135 2.007 1.00 0.00 N ATOM 818 CA ARG A 52 -0.574 2.844 2.377 1.00 0.00 C ATOM 819 C ARG A 52 -1.904 3.011 3.111 1.00 0.00 C ATOM 820 O ARG A 52 -2.941 2.445 2.721 1.00 0.00 O ATOM 821 CB ARG A 52 0.449 2.085 3.222 1.00 0.00 C ATOM 822 CG ARG A 52 1.102 2.934 4.307 1.00 0.00 C ATOM 823 CD ARG A 52 1.730 2.088 5.396 1.00 0.00 C ATOM 824 NE ARG A 52 2.437 2.898 6.393 1.00 0.00 N ATOM 825 CZ ARG A 52 2.291 2.761 7.714 1.00 0.00 C ATOM 826 NH1 ARG A 52 1.360 1.955 8.206 1.00 0.00 N ATOM 827 NH2 ARG A 52 3.047 3.469 8.545 1.00 0.00 N ATOM 0 H ARG A 52 0.684 4.500 2.638 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.776 2.262 1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.041 1.230 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.225 1.689 2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.865 3.570 3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.355 3.594 4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.955 1.503 5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.426 1.380 4.947 1.00 0.00 H new ATOM 0 HE ARG A 52 3.082 3.613 6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.750 1.435 7.575 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.254 1.855 9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.741 4.119 8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.934 3.363 9.553 1.00 0.00 H new ATOM 841 N GLU A 53 -1.890 3.864 4.116 1.00 0.00 N ATOM 842 CA GLU A 53 -2.998 3.970 5.039 1.00 0.00 C ATOM 843 C GLU A 53 -4.174 4.685 4.423 1.00 0.00 C ATOM 844 O GLU A 53 -5.303 4.461 4.829 1.00 0.00 O ATOM 845 CB GLU A 53 -2.548 4.695 6.293 1.00 0.00 C ATOM 846 CG GLU A 53 -1.381 4.009 6.967 1.00 0.00 C ATOM 847 CD GLU A 53 -1.743 2.623 7.460 1.00 0.00 C ATOM 848 OE1 GLU A 53 -2.651 2.525 8.302 1.00 0.00 O ATOM 849 OE2 GLU A 53 -1.121 1.626 7.013 1.00 0.00 O ATOM 0 H GLU A 53 -1.116 4.498 4.313 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.323 2.961 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.267 5.717 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.382 4.758 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.549 3.938 6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.041 4.615 7.807 1.00 0.00 H new ATOM 856 N LEU A 54 -3.930 5.536 3.444 1.00 0.00 N ATOM 857 CA LEU A 54 -5.033 6.228 2.819 1.00 0.00 C ATOM 858 C LEU A 54 -5.451 5.534 1.557 1.00 0.00 C ATOM 859 O LEU A 54 -6.597 5.618 1.188 1.00 0.00 O ATOM 860 CB LEU A 54 -4.764 7.708 2.567 1.00 0.00 C ATOM 861 CG LEU A 54 -4.893 8.583 3.811 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.761 8.279 4.768 1.00 0.00 C ATOM 863 CD2 LEU A 54 -4.911 10.057 3.436 1.00 0.00 C ATOM 0 H LEU A 54 -3.005 5.758 3.075 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.856 6.193 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.759 7.820 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.458 8.069 1.808 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.838 8.359 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.856 8.905 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.802 7.229 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.808 8.483 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.004 10.661 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.985 10.313 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.758 10.255 2.779 1.00 0.00 H new ATOM 875 N TYR A 55 -4.560 4.810 0.902 1.00 0.00 N ATOM 876 CA TYR A 55 -5.003 3.995 -0.224 1.00 0.00 C ATOM 877 C TYR A 55 -6.136 3.094 0.234 1.00 0.00 C ATOM 878 O TYR A 55 -7.068 2.829 -0.513 1.00 0.00 O ATOM 879 CB TYR A 55 -3.876 3.152 -0.818 1.00 0.00 C ATOM 880 CG TYR A 55 -3.080 3.854 -1.900 1.00 0.00 C ATOM 881 CD1 TYR A 55 -3.098 5.238 -2.023 1.00 0.00 C ATOM 882 CD2 TYR A 55 -2.291 3.130 -2.785 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.359 5.879 -2.998 1.00 0.00 C ATOM 884 CE2 TYR A 55 -1.551 3.763 -3.763 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.588 5.137 -3.867 1.00 0.00 C ATOM 886 OH TYR A 55 -0.851 5.768 -4.843 1.00 0.00 O ATOM 0 H TYR A 55 -3.564 4.766 1.115 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.342 4.669 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.198 2.856 -0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.301 2.237 -1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.701 5.823 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.256 2.053 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.385 6.956 -3.079 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.945 3.184 -4.444 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.364 5.100 -5.369 1.00 0.00 H new ATOM 896 N ARG A 56 -6.078 2.682 1.496 1.00 0.00 N ATOM 897 CA ARG A 56 -7.101 1.800 2.047 1.00 0.00 C ATOM 898 C ARG A 56 -8.383 2.544 2.455 1.00 0.00 C ATOM 899 O ARG A 56 -9.329 1.915 2.923 1.00 0.00 O ATOM 900 CB ARG A 56 -6.545 1.041 3.247 1.00 0.00 C ATOM 901 CG ARG A 56 -6.597 1.832 4.529 1.00 0.00 C ATOM 902 CD ARG A 56 -5.998 1.044 5.683 1.00 0.00 C ATOM 903 NE ARG A 56 -6.052 1.768 6.952 1.00 0.00 N ATOM 904 CZ ARG A 56 -6.475 1.229 8.099 1.00 0.00 C ATOM 905 NH1 ARG A 56 -6.909 -0.028 8.139 1.00 0.00 N ATOM 906 NH2 ARG A 56 -6.456 1.944 9.217 1.00 0.00 N ATOM 0 H ARG A 56 -5.341 2.942 2.152 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.374 1.105 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.108 0.116 3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.512 0.760 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.054 2.769 4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.631 2.090 4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.530 0.099 5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.961 0.802 5.452 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.749 2.742 6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.921 -0.591 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.230 -0.429 9.020 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.118 2.906 9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.779 1.531 10.092 1.00 0.00 H new ATOM 920 N ARG A 57 -8.439 3.868 2.290 1.00 0.00 N ATOM 921 CA ARG A 57 -9.588 4.615 2.810 1.00 0.00 C ATOM 922 C ARG A 57 -9.993 5.831 1.974 1.00 0.00 C ATOM 923 O ARG A 57 -11.162 6.205 1.969 1.00 0.00 O ATOM 924 CB ARG A 57 -9.323 5.043 4.251 1.00 0.00 C ATOM 925 CG ARG A 57 -7.949 5.645 4.492 1.00 0.00 C ATOM 926 CD ARG A 57 -7.734 5.926 5.962 1.00 0.00 C ATOM 927 NE ARG A 57 -8.315 4.871 6.794 1.00 0.00 N ATOM 928 CZ ARG A 57 -8.253 4.835 8.122 1.00 0.00 C ATOM 929 NH1 ARG A 57 -7.532 5.727 8.785 1.00 0.00 N ATOM 930 NH2 ARG A 57 -8.894 3.883 8.781 1.00 0.00 N ATOM 0 H ARG A 57 -7.730 4.429 1.818 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.431 3.927 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.080 5.770 4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.444 4.177 4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.180 4.962 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.847 6.569 3.922 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.667 6.008 6.167 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.183 6.885 6.221 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.802 4.109 6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.020 6.448 8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.489 5.693 9.804 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.432 3.182 8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.850 3.850 9.800 1.00 0.00 H new ATOM 944 N TYR A 58 -9.045 6.470 1.308 1.00 0.00 N ATOM 945 CA TYR A 58 -9.349 7.641 0.490 1.00 0.00 C ATOM 946 C TYR A 58 -9.155 7.374 -1.013 1.00 0.00 C ATOM 947 O TYR A 58 -10.128 7.356 -1.734 1.00 0.00 O ATOM 948 CB TYR A 58 -8.545 8.860 0.958 1.00 0.00 C ATOM 949 CG TYR A 58 -9.036 9.471 2.247 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.226 8.688 3.363 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.289 10.831 2.348 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.655 9.220 4.551 1.00 0.00 C ATOM 953 CE2 TYR A 58 -9.725 11.383 3.537 1.00 0.00 C ATOM 954 CZ TYR A 58 -9.906 10.570 4.639 1.00 0.00 C ATOM 955 OH TYR A 58 -10.338 11.111 5.828 1.00 0.00 O ATOM 0 H TYR A 58 -8.061 6.202 1.315 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.407 7.863 0.627 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.503 8.567 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.571 9.619 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.032 7.627 3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.143 11.466 1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.795 8.584 5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.923 12.443 3.604 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.467 12.076 5.720 1.00 0.00 H new ATOM 965 N PRO A 59 -7.919 7.223 -1.531 1.00 0.00 N ATOM 966 CA PRO A 59 -7.685 6.825 -2.934 1.00 0.00 C ATOM 967 C PRO A 59 -8.535 5.647 -3.442 1.00 0.00 C ATOM 968 O PRO A 59 -9.071 5.714 -4.548 1.00 0.00 O ATOM 969 CB PRO A 59 -6.204 6.460 -2.906 1.00 0.00 C ATOM 970 CG PRO A 59 -5.638 7.449 -1.967 1.00 0.00 C ATOM 971 CD PRO A 59 -6.639 7.542 -0.864 1.00 0.00 C ATOM 0 HA PRO A 59 -7.966 7.620 -3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.046 5.438 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.751 6.536 -3.894 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.666 7.128 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.491 8.415 -2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.418 6.838 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.655 8.537 -0.420 1.00 0.00 H new ATOM 979 N GLU A 60 -8.670 4.582 -2.658 1.00 0.00 N ATOM 980 CA GLU A 60 -9.466 3.432 -3.087 1.00 0.00 C ATOM 981 C GLU A 60 -10.759 3.465 -2.318 1.00 0.00 C ATOM 982 O GLU A 60 -11.808 3.034 -2.796 1.00 0.00 O ATOM 983 CB GLU A 60 -8.721 2.107 -2.877 1.00 0.00 C ATOM 984 CG GLU A 60 -9.566 0.861 -3.100 1.00 0.00 C ATOM 985 CD GLU A 60 -10.087 0.697 -4.523 1.00 0.00 C ATOM 986 OE1 GLU A 60 -10.070 1.673 -5.299 1.00 0.00 O ATOM 987 OE2 GLU A 60 -10.532 -0.426 -4.864 1.00 0.00 O ATOM 0 H GLU A 60 -8.246 4.489 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.660 3.495 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.866 2.075 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.326 2.085 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.973 -0.016 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.415 0.886 -2.416 1.00 0.00 H new ATOM 994 N GLY A 61 -10.665 4.026 -1.120 1.00 0.00 N ATOM 995 CA GLY A 61 -11.839 4.454 -0.396 1.00 0.00 C ATOM 996 C GLY A 61 -12.384 5.740 -0.978 1.00 0.00 C ATOM 997 O GLY A 61 -12.829 6.644 -0.271 1.00 0.00 O ATOM 0 H GLY A 61 -9.784 4.193 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.602 3.677 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.591 4.601 0.655 1.00 0.00 H new ATOM 1001 N ASP A 62 -12.299 5.806 -2.283 1.00 0.00 N ATOM 1002 CA ASP A 62 -12.787 6.920 -3.067 1.00 0.00 C ATOM 1003 C ASP A 62 -14.153 6.523 -3.592 1.00 0.00 C ATOM 1004 O ASP A 62 -14.565 5.380 -3.384 1.00 0.00 O ATOM 1005 CB ASP A 62 -11.795 7.169 -4.227 1.00 0.00 C ATOM 1006 CG ASP A 62 -12.002 8.476 -4.968 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -11.748 9.551 -4.380 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -12.424 8.440 -6.144 1.00 0.00 O ATOM 0 H ASP A 62 -11.878 5.068 -2.847 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.869 7.837 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.780 7.149 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.875 6.347 -4.938 1.00 0.00 H new ATOM 1013 N PRO A 63 -14.912 7.457 -4.176 1.00 0.00 N ATOM 1014 CA PRO A 63 -16.048 7.125 -5.045 1.00 0.00 C ATOM 1015 C PRO A 63 -15.667 6.128 -6.161 1.00 0.00 C ATOM 1016 O PRO A 63 -15.815 6.415 -7.351 1.00 0.00 O ATOM 1017 CB PRO A 63 -16.431 8.473 -5.657 1.00 0.00 C ATOM 1018 CG PRO A 63 -15.955 9.503 -4.687 1.00 0.00 C ATOM 1019 CD PRO A 63 -14.789 8.904 -3.943 1.00 0.00 C ATOM 0 HA PRO A 63 -16.852 6.642 -4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.964 8.608 -6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -17.508 8.544 -5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.654 10.412 -5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.752 9.780 -3.996 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.840 9.288 -4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.832 9.141 -2.880 1.00 0.00 H new ATOM 1027 N GLN A 64 -15.161 4.968 -5.756 1.00 0.00 N ATOM 1028 CA GLN A 64 -14.779 3.902 -6.664 1.00 0.00 C ATOM 1029 C GLN A 64 -15.197 2.558 -6.089 1.00 0.00 C ATOM 1030 O GLN A 64 -16.044 1.867 -6.654 1.00 0.00 O ATOM 1031 CB GLN A 64 -13.262 3.861 -6.911 1.00 0.00 C ATOM 1032 CG GLN A 64 -12.650 5.177 -7.359 1.00 0.00 C ATOM 1033 CD GLN A 64 -11.238 5.007 -7.888 1.00 0.00 C ATOM 1034 OE1 GLN A 64 -11.032 4.795 -9.082 1.00 0.00 O ATOM 1035 NE2 GLN A 64 -10.255 5.082 -7.008 1.00 0.00 N ATOM 0 H GLN A 64 -15.004 4.743 -4.774 1.00 0.00 H new ATOM 0 HA GLN A 64 -15.282 4.100 -7.610 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.768 3.541 -5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.052 3.104 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.275 5.620 -8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.640 5.874 -6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -10.463 5.259 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.289 4.963 -7.312 1.00 0.00 H new ATOM 1044 N ALA A 65 -14.619 2.193 -4.946 1.00 0.00 N ATOM 1045 CA ALA A 65 -14.762 0.837 -4.453 1.00 0.00 C ATOM 1046 C ALA A 65 -14.755 0.744 -2.936 1.00 0.00 C ATOM 1047 O ALA A 65 -15.808 0.702 -2.297 1.00 0.00 O ATOM 1048 CB ALA A 65 -13.653 -0.017 -5.034 1.00 0.00 C ATOM 0 H ALA A 65 -14.058 2.809 -4.358 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.738 0.474 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.752 -1.039 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.722 -0.012 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.687 0.385 -4.730 1.00 0.00 H new ATOM 1054 N THR A 66 -13.565 0.677 -2.374 1.00 0.00 N ATOM 1055 CA THR A 66 -13.384 0.529 -0.946 1.00 0.00 C ATOM 1056 C THR A 66 -13.813 1.800 -0.226 1.00 0.00 C ATOM 1057 O THR A 66 -13.905 2.836 -0.850 1.00 0.00 O ATOM 1058 CB THR A 66 -11.894 0.190 -0.665 1.00 0.00 C ATOM 1059 OG1 THR A 66 -11.698 -1.226 -0.730 1.00 0.00 O ATOM 1060 CG2 THR A 66 -11.386 0.719 0.670 1.00 0.00 C ATOM 0 H THR A 66 -12.692 0.724 -2.899 1.00 0.00 H new ATOM 0 HA THR A 66 -14.007 -0.282 -0.570 1.00 0.00 H new ATOM 0 HB THR A 66 -11.313 0.694 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.757 -1.434 -0.554 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.339 0.443 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.481 1.805 0.691 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.974 0.288 1.480 1.00 0.00 H new ATOM 1068 N LEU A 67 -14.207 1.671 1.039 1.00 0.00 N ATOM 1069 CA LEU A 67 -14.275 2.792 1.976 1.00 0.00 C ATOM 1070 C LEU A 67 -13.936 2.275 3.356 1.00 0.00 C ATOM 1071 O LEU A 67 -12.883 2.566 3.918 1.00 0.00 O ATOM 1072 CB LEU A 67 -15.664 3.440 2.041 1.00 0.00 C ATOM 1073 CG LEU A 67 -16.234 3.920 0.719 1.00 0.00 C ATOM 1074 CD1 LEU A 67 -17.668 4.393 0.885 1.00 0.00 C ATOM 1075 CD2 LEU A 67 -15.370 5.040 0.182 1.00 0.00 C ATOM 0 H LEU A 67 -14.490 0.780 1.446 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.573 3.550 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.359 2.721 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.616 4.289 2.723 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.237 3.090 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -18.053 4.732 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.282 3.571 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.699 5.216 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.775 5.389 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.358 5.864 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.354 4.675 0.031 1.00 0.00 H new ATOM 1087 N GLU A 68 -14.847 1.474 3.878 1.00 0.00 N ATOM 1088 CA GLU A 68 -14.681 0.869 5.187 1.00 0.00 C ATOM 1089 C GLU A 68 -14.502 -0.634 5.050 1.00 0.00 C ATOM 1090 O GLU A 68 -14.514 -1.379 6.030 1.00 0.00 O ATOM 1091 CB GLU A 68 -15.879 1.193 6.082 1.00 0.00 C ATOM 1092 CG GLU A 68 -17.200 0.591 5.615 1.00 0.00 C ATOM 1093 CD GLU A 68 -17.865 1.404 4.523 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -18.533 2.409 4.854 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -17.724 1.045 3.335 1.00 0.00 O ATOM 0 H GLU A 68 -15.718 1.225 3.410 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.787 1.282 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.669 0.838 7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.989 2.276 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -17.024 -0.421 5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -17.878 0.511 6.465 1.00 0.00 H new ATOM 1102 N ALA A 69 -14.322 -1.061 3.816 1.00 0.00 N ATOM 1103 CA ALA A 69 -14.127 -2.468 3.503 1.00 0.00 C ATOM 1104 C ALA A 69 -12.662 -2.840 3.565 1.00 0.00 C ATOM 1105 O ALA A 69 -12.308 -3.989 3.305 1.00 0.00 O ATOM 1106 CB ALA A 69 -14.646 -2.779 2.119 1.00 0.00 C ATOM 0 H ALA A 69 -14.306 -0.447 3.002 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.678 -3.047 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.492 -3.836 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.710 -2.550 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.111 -2.176 1.386 1.00 0.00 H new ATOM 1112 N ALA A 70 -11.826 -1.846 3.877 1.00 0.00 N ATOM 1113 CA ALA A 70 -10.373 -2.009 3.916 1.00 0.00 C ATOM 1114 C ALA A 70 -9.978 -3.328 4.560 1.00 0.00 C ATOM 1115 O ALA A 70 -10.112 -3.508 5.772 1.00 0.00 O ATOM 1116 CB ALA A 70 -9.732 -0.849 4.657 1.00 0.00 C ATOM 0 H ALA A 70 -12.140 -0.904 4.110 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.011 -2.018 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.651 -0.984 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.971 0.085 4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.113 -0.814 5.678 1.00 0.00 H new TER 1122 ALA A 70