USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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+ -177:sc= -0.101 (180deg=-0.154) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -109:sc= -0.689 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -1.96 K(o=-2,f=-3.8!) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -0.0606 (180deg=-0.593) USER MOD Single : A 34 THR OG1 : rot 180:sc=0.000523 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -149:sc= -0.308 (180deg=-1.44!) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= -0.588 (180deg=-0.589) USER MOD Single : A 48 MET CE :methyl 177:sc= -5.61! (180deg=-5.7!) USER MOD Single : A 52 ASN : amide:sc= -0.0358 X(o=-0.036,f=-0.036) USER MOD Single : A 55 SER OG : rot 180:sc=-0.00132 USER MOD Single : A 60 MET CE :methyl 159:sc= -4.03! (180deg=-5.31!) USER MOD Single : A 62 MET CE :methyl -159:sc= -3.04! (180deg=-4.45!) USER MOD Single : A 66 THR OG1 : rot 101:sc= 0.902 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 140:sc= -2.3 (180deg=-3.68!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.836 27.080 -3.477 1.00 0.00 N ATOM 2 CA MET A 1 -11.417 27.663 -4.783 1.00 0.00 C ATOM 3 C MET A 1 -10.591 26.635 -5.559 1.00 0.00 C ATOM 4 O MET A 1 -10.282 26.823 -6.719 1.00 0.00 O ATOM 5 CB MET A 1 -10.572 28.914 -4.535 1.00 0.00 C ATOM 6 CG MET A 1 -9.946 29.377 -5.853 1.00 0.00 C ATOM 7 SD MET A 1 -9.875 31.185 -5.883 1.00 0.00 S ATOM 8 CE MET A 1 -10.308 31.400 -7.627 1.00 0.00 C ATOM 0 H1 MET A 1 -12.440 27.759 -2.971 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.367 26.202 -3.643 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.994 26.872 -2.904 1.00 0.00 H new ATOM 0 HA MET A 1 -12.301 27.930 -5.362 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.191 29.707 -4.116 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.792 28.700 -3.805 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.944 28.961 -5.958 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.533 29.011 -6.695 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.323 32.463 -7.870 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.569 30.896 -8.250 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.293 30.971 -7.813 1.00 0.00 H new ATOM 20 N THR A 2 -10.231 25.551 -4.929 1.00 0.00 N ATOM 21 CA THR A 2 -9.424 24.515 -5.632 1.00 0.00 C ATOM 22 C THR A 2 -10.206 23.200 -5.671 1.00 0.00 C ATOM 23 O THR A 2 -9.639 22.133 -5.787 1.00 0.00 O ATOM 24 CB THR A 2 -8.106 24.301 -4.884 1.00 0.00 C ATOM 25 OG1 THR A 2 -8.178 24.930 -3.612 1.00 0.00 O ATOM 26 CG2 THR A 2 -6.955 24.904 -5.689 1.00 0.00 C ATOM 0 H THR A 2 -10.461 25.338 -3.958 1.00 0.00 H new ATOM 0 HA THR A 2 -9.216 24.845 -6.650 1.00 0.00 H new ATOM 0 HB THR A 2 -7.932 23.233 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.335 24.792 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.018 24.750 -5.154 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.900 24.420 -6.664 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.125 25.972 -5.823 1.00 0.00 H new ATOM 34 N PHE A 3 -11.506 23.270 -5.577 1.00 0.00 N ATOM 35 CA PHE A 3 -12.324 22.025 -5.609 1.00 0.00 C ATOM 36 C PHE A 3 -12.048 21.199 -4.351 1.00 0.00 C ATOM 37 O PHE A 3 -11.379 21.644 -3.438 1.00 0.00 O ATOM 38 CB PHE A 3 -11.958 21.207 -6.849 1.00 0.00 C ATOM 39 CG PHE A 3 -13.066 21.317 -7.868 1.00 0.00 C ATOM 40 CD1 PHE A 3 -13.221 22.494 -8.611 1.00 0.00 C ATOM 41 CD2 PHE A 3 -13.940 20.242 -8.071 1.00 0.00 C ATOM 42 CE1 PHE A 3 -14.249 22.595 -9.555 1.00 0.00 C ATOM 43 CE2 PHE A 3 -14.968 20.344 -9.015 1.00 0.00 C ATOM 44 CZ PHE A 3 -15.122 21.521 -9.757 1.00 0.00 C ATOM 0 H PHE A 3 -12.037 24.136 -5.479 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.382 22.286 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -11.022 21.569 -7.273 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.802 20.163 -6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.547 23.324 -8.455 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -13.821 19.334 -7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -14.368 23.503 -10.128 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -15.642 19.515 -9.171 1.00 0.00 H new ATOM 0 HZ PHE A 3 -15.915 21.600 -10.486 1.00 0.00 H new ATOM 54 N ILE A 4 -12.559 20.000 -4.291 1.00 0.00 N ATOM 55 CA ILE A 4 -12.329 19.150 -3.089 1.00 0.00 C ATOM 56 C ILE A 4 -11.206 18.149 -3.372 1.00 0.00 C ATOM 57 O ILE A 4 -10.897 17.851 -4.509 1.00 0.00 O ATOM 58 CB ILE A 4 -13.613 18.391 -2.748 1.00 0.00 C ATOM 59 CG1 ILE A 4 -13.307 17.315 -1.704 1.00 0.00 C ATOM 60 CG2 ILE A 4 -14.168 17.729 -4.011 1.00 0.00 C ATOM 61 CD1 ILE A 4 -14.608 16.638 -1.271 1.00 0.00 C ATOM 0 H ILE A 4 -13.126 19.572 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 4 -12.045 19.783 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 4 -14.350 19.088 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -12.621 16.576 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -12.812 17.761 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -15.083 17.189 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -14.386 18.494 -4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -13.431 17.033 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -14.389 15.872 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -15.279 17.381 -0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -15.084 16.178 -2.137 1.00 0.00 H new ATOM 73 N THR A 5 -10.596 17.626 -2.344 1.00 0.00 N ATOM 74 CA THR A 5 -9.495 16.642 -2.548 1.00 0.00 C ATOM 75 C THR A 5 -9.666 15.481 -1.565 1.00 0.00 C ATOM 76 O THR A 5 -9.030 15.432 -0.531 1.00 0.00 O ATOM 77 CB THR A 5 -8.147 17.324 -2.302 1.00 0.00 C ATOM 78 OG1 THR A 5 -8.353 18.713 -2.084 1.00 0.00 O ATOM 79 CG2 THR A 5 -7.242 17.125 -3.519 1.00 0.00 C ATOM 0 H THR A 5 -10.813 17.838 -1.370 1.00 0.00 H new ATOM 0 HA THR A 5 -9.528 16.264 -3.570 1.00 0.00 H new ATOM 0 HB THR A 5 -7.673 16.885 -1.424 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.491 19.151 -1.925 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.283 17.611 -3.342 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.084 16.059 -3.684 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.714 17.563 -4.399 1.00 0.00 H new ATOM 87 N LYS A 6 -10.524 14.549 -1.878 1.00 0.00 N ATOM 88 CA LYS A 6 -10.740 13.393 -0.961 1.00 0.00 C ATOM 89 C LYS A 6 -9.930 12.190 -1.454 1.00 0.00 C ATOM 90 O LYS A 6 -9.864 11.914 -2.635 1.00 0.00 O ATOM 91 CB LYS A 6 -12.229 13.036 -0.937 1.00 0.00 C ATOM 92 CG LYS A 6 -12.422 11.668 -0.279 1.00 0.00 C ATOM 93 CD LYS A 6 -13.913 11.420 -0.047 1.00 0.00 C ATOM 94 CE LYS A 6 -14.278 11.804 1.388 1.00 0.00 C ATOM 95 NZ LYS A 6 -13.987 10.660 2.297 1.00 0.00 N ATOM 0 H LYS A 6 -11.085 14.538 -2.730 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.414 13.659 0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.786 13.796 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.625 13.021 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.007 10.885 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.884 11.629 0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.504 12.005 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.150 10.371 -0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.710 12.681 1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.333 12.070 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.235 10.920 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.548 9.834 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.975 10.426 2.248 1.00 0.00 H new ATOM 109 N THR A 7 -9.314 11.470 -0.555 1.00 0.00 N ATOM 110 CA THR A 7 -8.511 10.286 -0.973 1.00 0.00 C ATOM 111 C THR A 7 -8.700 9.157 0.046 1.00 0.00 C ATOM 112 O THR A 7 -8.798 9.406 1.231 1.00 0.00 O ATOM 113 CB THR A 7 -7.030 10.671 -1.040 1.00 0.00 C ATOM 114 OG1 THR A 7 -6.838 11.917 -0.385 1.00 0.00 O ATOM 115 CG2 THR A 7 -6.597 10.789 -2.503 1.00 0.00 C ATOM 0 H THR A 7 -9.332 11.651 0.449 1.00 0.00 H new ATOM 0 HA THR A 7 -8.843 9.949 -1.955 1.00 0.00 H new ATOM 0 HB THR A 7 -6.431 9.904 -0.548 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.641 12.609 -1.050 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.543 11.063 -2.550 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.746 9.833 -3.005 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.193 11.555 -2.998 1.00 0.00 H new ATOM 123 N PRO A 8 -8.745 7.945 -0.449 1.00 0.00 N ATOM 124 CA PRO A 8 -8.919 6.750 0.395 1.00 0.00 C ATOM 125 C PRO A 8 -7.598 6.379 1.078 1.00 0.00 C ATOM 126 O PRO A 8 -6.574 6.978 0.811 1.00 0.00 O ATOM 127 CB PRO A 8 -9.344 5.667 -0.601 1.00 0.00 C ATOM 128 CG PRO A 8 -8.847 6.132 -1.990 1.00 0.00 C ATOM 129 CD PRO A 8 -8.627 7.653 -1.892 1.00 0.00 C ATOM 0 HA PRO A 8 -9.643 6.892 1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.909 4.703 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.427 5.540 -0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.922 5.623 -2.261 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.579 5.895 -2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.648 7.939 -2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.370 8.201 -2.471 1.00 0.00 H new ATOM 137 N PRO A 9 -7.662 5.399 1.942 1.00 0.00 N ATOM 138 CA PRO A 9 -6.485 4.917 2.686 1.00 0.00 C ATOM 139 C PRO A 9 -5.614 4.028 1.794 1.00 0.00 C ATOM 140 O PRO A 9 -6.050 3.547 0.766 1.00 0.00 O ATOM 141 CB PRO A 9 -7.094 4.111 3.837 1.00 0.00 C ATOM 142 CG PRO A 9 -8.515 3.705 3.382 1.00 0.00 C ATOM 143 CD PRO A 9 -8.913 4.678 2.257 1.00 0.00 C ATOM 0 HA PRO A 9 -5.837 5.722 3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.490 3.230 4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.134 4.706 4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.528 2.675 3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.219 3.764 4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.296 4.145 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.697 5.363 2.581 1.00 0.00 H new ATOM 151 N ALA A 10 -4.386 3.809 2.176 1.00 0.00 N ATOM 152 CA ALA A 10 -3.487 2.956 1.349 1.00 0.00 C ATOM 153 C ALA A 10 -3.769 1.479 1.636 1.00 0.00 C ATOM 154 O ALA A 10 -3.374 0.606 0.889 1.00 0.00 O ATOM 155 CB ALA A 10 -2.028 3.270 1.693 1.00 0.00 C ATOM 0 H ALA A 10 -3.966 4.184 3.026 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.667 3.160 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.369 2.646 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.823 4.321 1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.851 3.067 2.749 1.00 0.00 H new ATOM 161 N ALA A 11 -4.446 1.190 2.713 1.00 0.00 N ATOM 162 CA ALA A 11 -4.745 -0.233 3.043 1.00 0.00 C ATOM 163 C ALA A 11 -5.903 -0.733 2.175 1.00 0.00 C ATOM 164 O ALA A 11 -6.329 -1.864 2.288 1.00 0.00 O ATOM 165 CB ALA A 11 -5.133 -0.343 4.520 1.00 0.00 C ATOM 0 H ALA A 11 -4.805 1.875 3.378 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.861 -0.841 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.352 -1.383 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.308 0.008 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.016 0.267 4.711 1.00 0.00 H new ATOM 171 N VAL A 12 -6.419 0.100 1.312 1.00 0.00 N ATOM 172 CA VAL A 12 -7.549 -0.337 0.447 1.00 0.00 C ATOM 173 C VAL A 12 -7.063 -0.488 -0.999 1.00 0.00 C ATOM 174 O VAL A 12 -7.443 -1.405 -1.699 1.00 0.00 O ATOM 175 CB VAL A 12 -8.671 0.705 0.523 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.350 1.895 -0.386 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.986 0.066 0.076 1.00 0.00 C ATOM 0 H VAL A 12 -6.107 1.061 1.170 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.928 -1.299 0.791 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.760 1.057 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.154 2.628 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.414 2.355 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.253 1.551 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.786 0.805 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.888 -0.289 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.223 -0.773 0.730 1.00 0.00 H new ATOM 187 N LEU A 13 -6.223 0.404 -1.451 1.00 0.00 N ATOM 188 CA LEU A 13 -5.712 0.308 -2.849 1.00 0.00 C ATOM 189 C LEU A 13 -4.508 -0.635 -2.886 1.00 0.00 C ATOM 190 O LEU A 13 -4.328 -1.391 -3.818 1.00 0.00 O ATOM 191 CB LEU A 13 -5.282 1.694 -3.334 1.00 0.00 C ATOM 192 CG LEU A 13 -6.445 2.675 -3.184 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.898 4.077 -2.914 1.00 0.00 C ATOM 194 CD2 LEU A 13 -7.266 2.690 -4.476 1.00 0.00 C ATOM 0 H LEU A 13 -5.869 1.195 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.500 -0.076 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.424 2.041 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.968 1.644 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.078 2.365 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.727 4.777 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.310 4.068 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.266 4.388 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.096 3.389 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.632 3.001 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.655 1.691 -4.671 1.00 0.00 H new ATOM 206 N LEU A 14 -3.679 -0.591 -1.879 1.00 0.00 N ATOM 207 CA LEU A 14 -2.484 -1.480 -1.856 1.00 0.00 C ATOM 208 C LEU A 14 -2.889 -2.897 -2.274 1.00 0.00 C ATOM 209 O LEU A 14 -2.618 -3.329 -3.376 1.00 0.00 O ATOM 210 CB LEU A 14 -1.901 -1.512 -0.442 1.00 0.00 C ATOM 211 CG LEU A 14 -1.011 -0.286 -0.229 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.330 -0.380 1.138 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.056 -0.234 -1.325 1.00 0.00 C ATOM 0 H LEU A 14 -3.778 0.023 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.735 -1.099 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.705 -1.523 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.323 -2.424 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.621 0.616 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.304 0.494 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.088 -0.418 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.280 -1.282 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.691 0.639 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.665 -1.137 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.427 -0.167 -2.300 1.00 0.00 H new ATOM 225 N LYS A 15 -3.530 -3.622 -1.398 1.00 0.00 N ATOM 226 CA LYS A 15 -3.949 -5.011 -1.740 1.00 0.00 C ATOM 227 C LYS A 15 -4.508 -5.048 -3.165 1.00 0.00 C ATOM 228 O LYS A 15 -4.196 -5.930 -3.940 1.00 0.00 O ATOM 229 CB LYS A 15 -5.027 -5.474 -0.757 1.00 0.00 C ATOM 230 CG LYS A 15 -4.377 -6.275 0.373 1.00 0.00 C ATOM 231 CD LYS A 15 -5.407 -7.221 0.989 1.00 0.00 C ATOM 232 CE LYS A 15 -5.898 -6.645 2.320 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.171 -5.903 2.099 1.00 0.00 N ATOM 0 H LYS A 15 -3.782 -3.312 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.086 -5.674 -1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.556 -4.613 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.766 -6.087 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.530 -6.844 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.988 -5.599 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.247 -7.355 0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.964 -8.204 1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.053 -7.448 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.145 -5.979 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.506 -5.511 3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.009 -5.128 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.888 -6.551 1.716 1.00 0.00 H new ATOM 247 N LYS A 16 -5.332 -4.099 -3.515 1.00 0.00 N ATOM 248 CA LYS A 16 -5.906 -4.085 -4.890 1.00 0.00 C ATOM 249 C LYS A 16 -4.795 -4.335 -5.911 1.00 0.00 C ATOM 250 O LYS A 16 -4.881 -5.228 -6.731 1.00 0.00 O ATOM 251 CB LYS A 16 -6.548 -2.722 -5.159 1.00 0.00 C ATOM 252 CG LYS A 16 -7.981 -2.922 -5.656 1.00 0.00 C ATOM 253 CD LYS A 16 -8.577 -1.569 -6.052 1.00 0.00 C ATOM 254 CE LYS A 16 -8.991 -1.603 -7.524 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.477 -1.668 -7.620 1.00 0.00 N ATOM 0 H LYS A 16 -5.632 -3.335 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.660 -4.867 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.548 -2.122 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.967 -2.175 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.990 -3.599 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.587 -3.384 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.440 -1.343 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.847 -0.776 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.621 -0.716 -8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.546 -2.466 -8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.760 -1.691 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.818 -2.527 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.891 -0.831 -7.163 1.00 0.00 H new ATOM 269 N ALA A 17 -3.750 -3.555 -5.867 1.00 0.00 N ATOM 270 CA ALA A 17 -2.634 -3.748 -6.835 1.00 0.00 C ATOM 271 C ALA A 17 -2.220 -5.221 -6.847 1.00 0.00 C ATOM 272 O ALA A 17 -2.087 -5.829 -7.892 1.00 0.00 O ATOM 273 CB ALA A 17 -1.442 -2.886 -6.415 1.00 0.00 C ATOM 0 H ALA A 17 -3.621 -2.792 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.961 -3.455 -7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.625 -3.026 -7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.737 -1.837 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.114 -3.180 -5.418 1.00 0.00 H new ATOM 279 N ALA A 18 -2.016 -5.802 -5.696 1.00 0.00 N ATOM 280 CA ALA A 18 -1.614 -7.235 -5.646 1.00 0.00 C ATOM 281 C ALA A 18 -2.715 -8.095 -6.270 1.00 0.00 C ATOM 282 O ALA A 18 -2.589 -8.572 -7.379 1.00 0.00 O ATOM 283 CB ALA A 18 -1.402 -7.656 -4.190 1.00 0.00 C ATOM 0 H ALA A 18 -2.111 -5.346 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.686 -7.371 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.108 -8.705 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.618 -7.044 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.329 -7.520 -3.633 1.00 0.00 H new ATOM 289 N GLY A 19 -3.793 -8.297 -5.563 1.00 0.00 N ATOM 290 CA GLY A 19 -4.901 -9.127 -6.116 1.00 0.00 C ATOM 291 C GLY A 19 -5.254 -10.233 -5.122 1.00 0.00 C ATOM 292 O GLY A 19 -5.504 -11.361 -5.496 1.00 0.00 O ATOM 0 H GLY A 19 -3.955 -7.924 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.775 -8.504 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.603 -9.562 -7.070 1.00 0.00 H new ATOM 296 N ILE A 20 -5.274 -9.919 -3.855 1.00 0.00 N ATOM 297 CA ILE A 20 -5.608 -10.953 -2.837 1.00 0.00 C ATOM 298 C ILE A 20 -7.109 -10.914 -2.546 1.00 0.00 C ATOM 299 O ILE A 20 -7.582 -10.098 -1.781 1.00 0.00 O ATOM 300 CB ILE A 20 -4.832 -10.671 -1.551 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.379 -10.336 -1.900 1.00 0.00 C ATOM 302 CG2 ILE A 20 -4.868 -11.907 -0.651 1.00 0.00 C ATOM 303 CD1 ILE A 20 -3.067 -8.904 -1.464 1.00 0.00 C ATOM 0 H ILE A 20 -5.073 -8.991 -3.482 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.336 -11.938 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.286 -9.829 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.704 -11.034 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.217 -10.444 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.314 -11.706 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.902 -12.148 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.413 -12.750 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.033 -8.665 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.733 -8.213 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.212 -8.812 -0.388 1.00 0.00 H new ATOM 315 N GLU A 21 -7.860 -11.793 -3.151 1.00 0.00 N ATOM 316 CA GLU A 21 -9.331 -11.808 -2.909 1.00 0.00 C ATOM 317 C GLU A 21 -9.708 -13.089 -2.163 1.00 0.00 C ATOM 318 O GLU A 21 -10.094 -13.059 -1.012 1.00 0.00 O ATOM 319 CB GLU A 21 -10.076 -11.761 -4.247 1.00 0.00 C ATOM 320 CG GLU A 21 -9.222 -11.038 -5.293 1.00 0.00 C ATOM 321 CD GLU A 21 -10.117 -10.154 -6.163 1.00 0.00 C ATOM 322 OE1 GLU A 21 -10.515 -9.102 -5.689 1.00 0.00 O ATOM 323 OE2 GLU A 21 -10.390 -10.543 -7.286 1.00 0.00 O ATOM 0 H GLU A 21 -7.519 -12.501 -3.802 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.608 -10.939 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.300 -12.773 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.029 -11.247 -4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.462 -10.431 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.697 -11.764 -5.914 1.00 0.00 H new ATOM 330 N SER A 22 -9.598 -14.217 -2.811 1.00 0.00 N ATOM 331 CA SER A 22 -9.949 -15.500 -2.140 1.00 0.00 C ATOM 332 C SER A 22 -9.203 -16.650 -2.821 1.00 0.00 C ATOM 333 O SER A 22 -9.002 -16.649 -4.019 1.00 0.00 O ATOM 334 CB SER A 22 -11.457 -15.736 -2.250 1.00 0.00 C ATOM 335 OG SER A 22 -11.814 -16.867 -1.469 1.00 0.00 O ATOM 0 H SER A 22 -9.280 -14.305 -3.776 1.00 0.00 H new ATOM 0 HA SER A 22 -9.664 -15.452 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.000 -14.856 -1.906 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.737 -15.896 -3.291 1.00 0.00 H new ATOM 0 HG SER A 22 -12.780 -17.019 -1.536 1.00 0.00 H new ATOM 341 N GLY A 23 -8.790 -17.632 -2.067 1.00 0.00 N ATOM 342 CA GLY A 23 -8.056 -18.779 -2.673 1.00 0.00 C ATOM 343 C GLY A 23 -8.457 -20.076 -1.967 1.00 0.00 C ATOM 344 O GLY A 23 -8.422 -20.172 -0.757 1.00 0.00 O ATOM 0 H GLY A 23 -8.929 -17.690 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.282 -18.847 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.981 -18.623 -2.585 1.00 0.00 H new ATOM 348 N SER A 24 -8.836 -21.077 -2.715 1.00 0.00 N ATOM 349 CA SER A 24 -9.237 -22.366 -2.085 1.00 0.00 C ATOM 350 C SER A 24 -8.059 -22.935 -1.293 1.00 0.00 C ATOM 351 O SER A 24 -8.216 -23.824 -0.481 1.00 0.00 O ATOM 352 CB SER A 24 -9.645 -23.360 -3.172 1.00 0.00 C ATOM 353 OG SER A 24 -8.483 -23.820 -3.849 1.00 0.00 O ATOM 0 H SER A 24 -8.885 -21.057 -3.734 1.00 0.00 H new ATOM 0 HA SER A 24 -10.079 -22.195 -1.414 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.179 -24.201 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.327 -22.885 -3.878 1.00 0.00 H new ATOM 0 HG SER A 24 -8.742 -24.459 -4.546 1.00 0.00 H new ATOM 359 N GLY A 25 -6.878 -22.429 -1.523 1.00 0.00 N ATOM 360 CA GLY A 25 -5.692 -22.942 -0.782 1.00 0.00 C ATOM 361 C GLY A 25 -4.485 -22.992 -1.722 1.00 0.00 C ATOM 362 O GLY A 25 -3.587 -22.179 -1.638 1.00 0.00 O ATOM 0 H GLY A 25 -6.684 -21.683 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.476 -22.298 0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.899 -23.936 -0.386 1.00 0.00 H new ATOM 366 N GLU A 26 -4.456 -23.943 -2.616 1.00 0.00 N ATOM 367 CA GLU A 26 -3.308 -24.043 -3.558 1.00 0.00 C ATOM 368 C GLU A 26 -3.734 -24.828 -4.803 1.00 0.00 C ATOM 369 O GLU A 26 -3.518 -26.021 -4.886 1.00 0.00 O ATOM 370 CB GLU A 26 -2.148 -24.767 -2.869 1.00 0.00 C ATOM 371 CG GLU A 26 -1.143 -23.741 -2.346 1.00 0.00 C ATOM 372 CD GLU A 26 0.119 -24.461 -1.866 1.00 0.00 C ATOM 373 OE1 GLU A 26 -0.003 -25.321 -1.011 1.00 0.00 O ATOM 374 OE2 GLU A 26 1.186 -24.139 -2.363 1.00 0.00 O ATOM 0 H GLU A 26 -5.178 -24.654 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.990 -23.043 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.523 -25.376 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.660 -25.444 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.892 -23.029 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.582 -23.170 -1.528 1.00 0.00 H new ATOM 381 N PRO A 27 -4.332 -24.131 -5.736 1.00 0.00 N ATOM 382 CA PRO A 27 -4.806 -24.729 -6.996 1.00 0.00 C ATOM 383 C PRO A 27 -3.636 -24.941 -7.960 1.00 0.00 C ATOM 384 O PRO A 27 -2.491 -24.997 -7.558 1.00 0.00 O ATOM 385 CB PRO A 27 -5.783 -23.683 -7.543 1.00 0.00 C ATOM 386 CG PRO A 27 -5.390 -22.336 -6.890 1.00 0.00 C ATOM 387 CD PRO A 27 -4.588 -22.680 -5.620 1.00 0.00 C ATOM 0 HA PRO A 27 -5.268 -25.707 -6.861 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.718 -23.622 -8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.812 -23.947 -7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.793 -21.733 -7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.277 -21.752 -6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.658 -22.114 -5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.152 -22.446 -4.717 1.00 0.00 H new ATOM 395 N ASN A 28 -3.914 -25.061 -9.229 1.00 0.00 N ATOM 396 CA ASN A 28 -2.818 -25.269 -10.214 1.00 0.00 C ATOM 397 C ASN A 28 -1.997 -23.985 -10.343 1.00 0.00 C ATOM 398 O ASN A 28 -2.522 -22.927 -10.630 1.00 0.00 O ATOM 399 CB ASN A 28 -3.416 -25.631 -11.575 1.00 0.00 C ATOM 400 CG ASN A 28 -2.799 -26.939 -12.073 1.00 0.00 C ATOM 401 OD1 ASN A 28 -3.199 -28.009 -11.659 1.00 0.00 O ATOM 402 ND2 ASN A 28 -1.833 -26.898 -12.949 1.00 0.00 N ATOM 0 H ASN A 28 -4.853 -25.024 -9.625 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.174 -26.079 -9.874 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.498 -25.735 -11.492 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.227 -24.832 -12.291 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.413 -27.764 -13.286 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.497 -26.000 -13.296 1.00 0.00 H new ATOM 409 N ARG A 29 -0.712 -24.069 -10.134 1.00 0.00 N ATOM 410 CA ARG A 29 0.143 -22.853 -10.247 1.00 0.00 C ATOM 411 C ARG A 29 -0.370 -21.773 -9.293 1.00 0.00 C ATOM 412 O ARG A 29 -1.317 -21.071 -9.584 1.00 0.00 O ATOM 413 CB ARG A 29 0.097 -22.330 -11.684 1.00 0.00 C ATOM 414 CG ARG A 29 1.497 -22.397 -12.297 1.00 0.00 C ATOM 415 CD ARG A 29 1.391 -22.323 -13.822 1.00 0.00 C ATOM 416 NE ARG A 29 0.558 -23.454 -14.316 1.00 0.00 N ATOM 417 CZ ARG A 29 1.076 -24.346 -15.116 1.00 0.00 C ATOM 418 NH1 ARG A 29 2.094 -25.063 -14.723 1.00 0.00 N ATOM 419 NH2 ARG A 29 0.577 -24.519 -16.310 1.00 0.00 N ATOM 0 H ARG A 29 -0.217 -24.927 -9.890 1.00 0.00 H new ATOM 0 HA ARG A 29 1.170 -23.107 -9.985 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.599 -22.924 -12.276 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.268 -21.303 -11.697 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.108 -21.575 -11.924 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.991 -23.322 -12.001 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.948 -21.373 -14.121 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.384 -22.366 -14.269 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.418 -23.532 -14.029 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.485 -24.926 -13.791 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.499 -25.760 -15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.217 -23.957 -16.617 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.981 -25.216 -16.936 1.00 0.00 H new ATOM 433 N ASN A 30 0.253 -21.632 -8.153 1.00 0.00 N ATOM 434 CA ASN A 30 -0.195 -20.595 -7.182 1.00 0.00 C ATOM 435 C ASN A 30 0.974 -19.661 -6.864 1.00 0.00 C ATOM 436 O ASN A 30 2.087 -20.096 -6.645 1.00 0.00 O ATOM 437 CB ASN A 30 -0.672 -21.270 -5.894 1.00 0.00 C ATOM 438 CG ASN A 30 -1.832 -20.469 -5.298 1.00 0.00 C ATOM 439 OD1 ASN A 30 -2.543 -19.788 -6.010 1.00 0.00 O ATOM 440 ND2 ASN A 30 -2.054 -20.521 -4.013 1.00 0.00 N ATOM 0 H ASN A 30 1.052 -22.191 -7.854 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.015 -20.022 -7.615 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.990 -22.291 -6.102 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.147 -21.331 -5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.824 -19.990 -3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.457 -21.093 -3.415 1.00 0.00 H new ATOM 447 N LYS A 31 0.733 -18.378 -6.842 1.00 0.00 N ATOM 448 CA LYS A 31 1.833 -17.418 -6.542 1.00 0.00 C ATOM 449 C LYS A 31 1.551 -16.715 -5.214 1.00 0.00 C ATOM 450 O LYS A 31 0.426 -16.373 -4.906 1.00 0.00 O ATOM 451 CB LYS A 31 1.917 -16.376 -7.660 1.00 0.00 C ATOM 452 CG LYS A 31 1.740 -17.064 -9.015 1.00 0.00 C ATOM 453 CD LYS A 31 2.636 -16.388 -10.053 1.00 0.00 C ATOM 454 CE LYS A 31 2.161 -14.952 -10.280 1.00 0.00 C ATOM 455 NZ LYS A 31 0.795 -14.969 -10.875 1.00 0.00 N ATOM 0 H LYS A 31 -0.178 -17.954 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 31 2.777 -17.958 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.147 -15.617 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.879 -15.864 -7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.994 -18.121 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.698 -17.010 -9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.671 -16.390 -9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.608 -16.944 -10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.151 -14.407 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.851 -14.430 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.619 -14.069 -11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.722 -15.753 -11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.090 -15.097 -10.121 1.00 0.00 H new ATOM 469 N VAL A 32 2.566 -16.496 -4.422 1.00 0.00 N ATOM 470 CA VAL A 32 2.358 -15.814 -3.114 1.00 0.00 C ATOM 471 C VAL A 32 2.044 -14.335 -3.356 1.00 0.00 C ATOM 472 O VAL A 32 2.236 -13.821 -4.440 1.00 0.00 O ATOM 473 CB VAL A 32 3.625 -15.934 -2.267 1.00 0.00 C ATOM 474 CG1 VAL A 32 4.801 -15.303 -3.015 1.00 0.00 C ATOM 475 CG2 VAL A 32 3.419 -15.206 -0.936 1.00 0.00 C ATOM 0 H VAL A 32 3.530 -16.760 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 32 1.526 -16.282 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 32 3.837 -16.986 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.704 -15.389 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.948 -15.820 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.589 -14.251 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.322 -15.291 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.207 -14.154 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.581 -15.654 -0.402 1.00 0.00 H new ATOM 485 N ALA A 33 1.562 -13.651 -2.356 1.00 0.00 N ATOM 486 CA ALA A 33 1.236 -12.207 -2.531 1.00 0.00 C ATOM 487 C ALA A 33 2.502 -11.368 -2.350 1.00 0.00 C ATOM 488 O ALA A 33 2.779 -10.870 -1.277 1.00 0.00 O ATOM 489 CB ALA A 33 0.197 -11.790 -1.489 1.00 0.00 C ATOM 0 H ALA A 33 1.380 -14.028 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 33 0.835 -12.046 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.042 -10.734 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.707 -12.385 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.599 -11.953 -0.489 1.00 0.00 H new ATOM 495 N THR A 34 3.272 -11.203 -3.390 1.00 0.00 N ATOM 496 CA THR A 34 4.516 -10.392 -3.270 1.00 0.00 C ATOM 497 C THR A 34 4.365 -9.105 -4.083 1.00 0.00 C ATOM 498 O THR A 34 4.019 -9.132 -5.248 1.00 0.00 O ATOM 499 CB THR A 34 5.707 -11.193 -3.799 1.00 0.00 C ATOM 500 OG1 THR A 34 5.237 -12.250 -4.626 1.00 0.00 O ATOM 501 CG2 THR A 34 6.497 -11.768 -2.621 1.00 0.00 C ATOM 0 H THR A 34 3.094 -11.594 -4.315 1.00 0.00 H new ATOM 0 HA THR A 34 4.686 -10.144 -2.222 1.00 0.00 H new ATOM 0 HB THR A 34 6.356 -10.541 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.000 -12.763 -4.967 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.346 -12.339 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.857 -10.954 -1.992 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.851 -12.421 -2.034 1.00 0.00 H new ATOM 509 N ILE A 35 4.618 -7.975 -3.479 1.00 0.00 N ATOM 510 CA ILE A 35 4.487 -6.689 -4.219 1.00 0.00 C ATOM 511 C ILE A 35 5.854 -6.014 -4.320 1.00 0.00 C ATOM 512 O ILE A 35 6.366 -5.481 -3.356 1.00 0.00 O ATOM 513 CB ILE A 35 3.522 -5.766 -3.471 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.194 -6.493 -3.243 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.277 -4.504 -4.302 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.129 -5.488 -2.796 1.00 0.00 C ATOM 0 H ILE A 35 4.910 -7.888 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 35 4.104 -6.887 -5.220 1.00 0.00 H new ATOM 0 HB ILE A 35 3.954 -5.490 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.878 -6.990 -4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.317 -7.268 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.590 -3.846 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.222 -3.986 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.844 -4.780 -5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.184 -6.007 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.445 -5.012 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.998 -4.729 -3.567 1.00 0.00 H new ATOM 528 N LYS A 36 6.451 -6.027 -5.480 1.00 0.00 N ATOM 529 CA LYS A 36 7.782 -5.377 -5.635 1.00 0.00 C ATOM 530 C LYS A 36 7.752 -4.013 -4.946 1.00 0.00 C ATOM 531 O LYS A 36 6.703 -3.513 -4.589 1.00 0.00 O ATOM 532 CB LYS A 36 8.094 -5.194 -7.121 1.00 0.00 C ATOM 533 CG LYS A 36 8.854 -6.418 -7.636 1.00 0.00 C ATOM 534 CD LYS A 36 7.874 -7.573 -7.849 1.00 0.00 C ATOM 535 CE LYS A 36 8.404 -8.494 -8.949 1.00 0.00 C ATOM 536 NZ LYS A 36 7.681 -9.797 -8.896 1.00 0.00 N ATOM 0 H LYS A 36 6.076 -6.458 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 36 8.552 -6.002 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.170 -5.063 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.689 -4.293 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.360 -6.179 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.625 -6.708 -6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.747 -8.132 -6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.893 -7.186 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.267 -8.029 -9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.474 -8.654 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.041 -10.424 -9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.834 -10.241 -7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.664 -9.636 -9.039 1.00 0.00 H new ATOM 550 N ARG A 37 8.888 -3.403 -4.758 1.00 0.00 N ATOM 551 CA ARG A 37 8.905 -2.071 -4.095 1.00 0.00 C ATOM 552 C ARG A 37 8.604 -1.001 -5.141 1.00 0.00 C ATOM 553 O ARG A 37 8.020 0.024 -4.851 1.00 0.00 O ATOM 554 CB ARG A 37 10.284 -1.815 -3.485 1.00 0.00 C ATOM 555 CG ARG A 37 10.117 -1.164 -2.112 1.00 0.00 C ATOM 556 CD ARG A 37 9.477 -2.165 -1.146 1.00 0.00 C ATOM 557 NE ARG A 37 10.530 -2.761 -0.277 1.00 0.00 N ATOM 558 CZ ARG A 37 10.974 -2.101 0.759 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.144 -1.694 1.679 1.00 0.00 N ATOM 560 NH2 ARG A 37 12.250 -1.847 0.873 1.00 0.00 N ATOM 0 H ARG A 37 9.800 -3.767 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 37 8.156 -2.042 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.832 -2.752 -3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.869 -1.167 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.086 -0.843 -1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.495 -0.273 -2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.725 -1.666 -0.534 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.965 -2.949 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 37 10.905 -3.685 -0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.147 -1.891 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.492 -1.179 2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.899 -2.164 0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.597 -1.332 1.682 1.00 0.00 H new ATOM 574 N ASP A 38 8.998 -1.239 -6.361 1.00 0.00 N ATOM 575 CA ASP A 38 8.733 -0.244 -7.435 1.00 0.00 C ATOM 576 C ASP A 38 7.226 -0.163 -7.685 1.00 0.00 C ATOM 577 O ASP A 38 6.727 0.803 -8.228 1.00 0.00 O ATOM 578 CB ASP A 38 9.442 -0.677 -8.720 1.00 0.00 C ATOM 579 CG ASP A 38 9.791 0.557 -9.553 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.541 1.655 -9.082 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.301 0.384 -10.647 1.00 0.00 O ATOM 0 H ASP A 38 9.492 -2.080 -6.660 1.00 0.00 H new ATOM 0 HA ASP A 38 9.107 0.733 -7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.348 -1.233 -8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.801 -1.346 -9.294 1.00 0.00 H new ATOM 586 N LYS A 39 6.497 -1.172 -7.287 1.00 0.00 N ATOM 587 CA LYS A 39 5.022 -1.156 -7.497 1.00 0.00 C ATOM 588 C LYS A 39 4.336 -0.632 -6.234 1.00 0.00 C ATOM 589 O LYS A 39 3.649 0.370 -6.260 1.00 0.00 O ATOM 590 CB LYS A 39 4.531 -2.575 -7.794 1.00 0.00 C ATOM 591 CG LYS A 39 3.011 -2.563 -7.974 1.00 0.00 C ATOM 592 CD LYS A 39 2.554 -3.895 -8.573 1.00 0.00 C ATOM 593 CE LYS A 39 2.879 -3.921 -10.067 1.00 0.00 C ATOM 594 NZ LYS A 39 2.230 -2.758 -10.737 1.00 0.00 N ATOM 0 H LYS A 39 6.860 -2.006 -6.826 1.00 0.00 H new ATOM 0 HA LYS A 39 4.781 -0.507 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.011 -2.956 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.806 -3.244 -6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.522 -2.398 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.718 -1.740 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.051 -4.723 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.483 -4.026 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.958 -3.884 -10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.527 -4.853 -10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.985 -3.013 -11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.366 -2.498 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.886 -1.951 -10.743 1.00 0.00 H new ATOM 608 N VAL A 40 4.518 -1.298 -5.125 1.00 0.00 N ATOM 609 CA VAL A 40 3.877 -0.829 -3.866 1.00 0.00 C ATOM 610 C VAL A 40 4.181 0.662 -3.679 1.00 0.00 C ATOM 611 O VAL A 40 3.303 1.459 -3.410 1.00 0.00 O ATOM 612 CB VAL A 40 4.411 -1.657 -2.679 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.544 -0.917 -1.955 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.268 -1.917 -1.695 1.00 0.00 C ATOM 0 H VAL A 40 5.081 -2.144 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 40 2.796 -0.963 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 40 4.804 -2.599 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.901 -1.524 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.363 -0.736 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.173 0.035 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.639 -2.502 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.877 -0.966 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.473 -2.468 -2.198 1.00 0.00 H new ATOM 624 N ARG A 41 5.422 1.041 -3.827 1.00 0.00 N ATOM 625 CA ARG A 41 5.788 2.476 -3.669 1.00 0.00 C ATOM 626 C ARG A 41 5.100 3.290 -4.764 1.00 0.00 C ATOM 627 O ARG A 41 4.723 4.427 -4.563 1.00 0.00 O ATOM 628 CB ARG A 41 7.307 2.629 -3.791 1.00 0.00 C ATOM 629 CG ARG A 41 7.693 4.093 -3.571 1.00 0.00 C ATOM 630 CD ARG A 41 9.175 4.179 -3.198 1.00 0.00 C ATOM 631 NE ARG A 41 9.909 4.935 -4.251 1.00 0.00 N ATOM 632 CZ ARG A 41 10.002 4.450 -5.460 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.326 3.198 -5.637 1.00 0.00 N ATOM 634 NH2 ARG A 41 9.770 5.217 -6.490 1.00 0.00 N ATOM 0 H ARG A 41 6.198 0.418 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 41 5.467 2.835 -2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.807 1.996 -3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.638 2.299 -4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.500 4.671 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.082 4.526 -2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.290 4.673 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.594 3.178 -3.095 1.00 0.00 H new ATOM 0 HE ARG A 41 10.339 5.832 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.506 2.599 -4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.399 2.819 -6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.516 6.195 -6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.843 4.838 -7.434 1.00 0.00 H new ATOM 648 N GLU A 42 4.926 2.712 -5.922 1.00 0.00 N ATOM 649 CA GLU A 42 4.255 3.449 -7.028 1.00 0.00 C ATOM 650 C GLU A 42 2.912 3.979 -6.527 1.00 0.00 C ATOM 651 O GLU A 42 2.593 5.142 -6.684 1.00 0.00 O ATOM 652 CB GLU A 42 4.021 2.499 -8.204 1.00 0.00 C ATOM 653 CG GLU A 42 4.550 3.136 -9.491 1.00 0.00 C ATOM 654 CD GLU A 42 3.410 3.858 -10.211 1.00 0.00 C ATOM 655 OE1 GLU A 42 2.672 4.568 -9.547 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.293 3.687 -11.413 1.00 0.00 O ATOM 0 H GLU A 42 5.220 1.762 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 42 4.882 4.279 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.524 1.549 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.957 2.283 -8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.350 3.839 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.976 2.370 -10.139 1.00 0.00 H new ATOM 663 N ILE A 43 2.124 3.134 -5.919 1.00 0.00 N ATOM 664 CA ILE A 43 0.803 3.589 -5.401 1.00 0.00 C ATOM 665 C ILE A 43 1.026 4.662 -4.336 1.00 0.00 C ATOM 666 O ILE A 43 0.406 5.708 -4.355 1.00 0.00 O ATOM 667 CB ILE A 43 0.062 2.401 -4.784 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.015 1.266 -5.808 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.352 2.831 -4.394 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.093 -0.077 -5.078 1.00 0.00 C ATOM 0 H ILE A 43 2.338 2.150 -5.759 1.00 0.00 H new ATOM 0 HA ILE A 43 0.209 4.001 -6.217 1.00 0.00 H new ATOM 0 HB ILE A 43 0.595 2.058 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.889 1.396 -6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.860 1.288 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.881 1.986 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.298 3.643 -3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.886 3.172 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.148 -0.885 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.795 -0.207 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.982 -0.097 -4.447 1.00 0.00 H new ATOM 682 N ALA A 44 1.913 4.418 -3.411 1.00 0.00 N ATOM 683 CA ALA A 44 2.181 5.431 -2.352 1.00 0.00 C ATOM 684 C ALA A 44 2.565 6.754 -3.016 1.00 0.00 C ATOM 685 O ALA A 44 2.419 7.815 -2.442 1.00 0.00 O ATOM 686 CB ALA A 44 3.329 4.951 -1.462 1.00 0.00 C ATOM 0 H ALA A 44 2.463 3.562 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 44 1.289 5.571 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.524 5.693 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.057 4.004 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.225 4.814 -2.067 1.00 0.00 H new ATOM 692 N GLU A 45 3.052 6.695 -4.226 1.00 0.00 N ATOM 693 CA GLU A 45 3.441 7.946 -4.933 1.00 0.00 C ATOM 694 C GLU A 45 2.178 8.674 -5.397 1.00 0.00 C ATOM 695 O GLU A 45 2.051 9.873 -5.249 1.00 0.00 O ATOM 696 CB GLU A 45 4.308 7.598 -6.146 1.00 0.00 C ATOM 697 CG GLU A 45 5.433 8.626 -6.282 1.00 0.00 C ATOM 698 CD GLU A 45 6.705 7.930 -6.767 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.734 6.711 -6.752 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.631 8.630 -7.148 1.00 0.00 O ATOM 0 H GLU A 45 3.197 5.834 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 45 4.007 8.589 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.727 6.598 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.699 7.588 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.143 9.407 -6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.614 9.111 -5.323 1.00 0.00 H new ATOM 707 N LEU A 46 1.239 7.956 -5.950 1.00 0.00 N ATOM 708 CA LEU A 46 -0.018 8.607 -6.415 1.00 0.00 C ATOM 709 C LEU A 46 -0.714 9.263 -5.222 1.00 0.00 C ATOM 710 O LEU A 46 -1.385 10.267 -5.355 1.00 0.00 O ATOM 711 CB LEU A 46 -0.944 7.551 -7.026 1.00 0.00 C ATOM 712 CG LEU A 46 -1.279 7.936 -8.468 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.977 9.297 -8.487 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.012 8.015 -9.286 1.00 0.00 C ATOM 0 H LEU A 46 1.288 6.948 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 46 0.216 9.362 -7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.463 6.573 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.859 7.471 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.940 7.184 -8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.215 9.570 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.896 9.243 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.318 10.050 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.225 8.289 -10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.672 8.767 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.510 7.045 -9.275 1.00 0.00 H new ATOM 726 N LYS A 47 -0.556 8.702 -4.054 1.00 0.00 N ATOM 727 CA LYS A 47 -1.205 9.290 -2.849 1.00 0.00 C ATOM 728 C LYS A 47 -0.137 9.917 -1.950 1.00 0.00 C ATOM 729 O LYS A 47 -0.194 9.815 -0.740 1.00 0.00 O ATOM 730 CB LYS A 47 -1.936 8.190 -2.077 1.00 0.00 C ATOM 731 CG LYS A 47 -2.640 7.254 -3.062 1.00 0.00 C ATOM 732 CD LYS A 47 -3.858 7.962 -3.658 1.00 0.00 C ATOM 733 CE LYS A 47 -5.136 7.269 -3.183 1.00 0.00 C ATOM 734 NZ LYS A 47 -6.185 7.384 -4.237 1.00 0.00 N ATOM 0 H LYS A 47 -0.005 7.861 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.918 10.055 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.229 7.628 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.663 8.631 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.953 6.960 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.950 6.341 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.866 9.009 -3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.805 7.944 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.935 6.220 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.486 7.723 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.049 6.898 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.395 8.388 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.843 6.946 -5.116 1.00 0.00 H new ATOM 748 N MET A 48 0.838 10.565 -2.527 1.00 0.00 N ATOM 749 CA MET A 48 1.905 11.195 -1.697 1.00 0.00 C ATOM 750 C MET A 48 1.366 12.477 -1.052 1.00 0.00 C ATOM 751 O MET A 48 1.455 12.646 0.147 1.00 0.00 O ATOM 752 CB MET A 48 3.114 11.528 -2.574 1.00 0.00 C ATOM 753 CG MET A 48 4.329 10.732 -2.097 1.00 0.00 C ATOM 754 SD MET A 48 5.767 11.826 -1.996 1.00 0.00 S ATOM 755 CE MET A 48 5.574 12.297 -0.259 1.00 0.00 C ATOM 0 H MET A 48 0.942 10.685 -3.534 1.00 0.00 H new ATOM 0 HA MET A 48 2.210 10.499 -0.916 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.897 11.290 -3.615 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.326 12.596 -2.528 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.127 10.289 -1.122 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.531 9.911 -2.784 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.402 12.941 0.037 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.633 12.832 -0.129 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.571 11.402 0.363 1.00 0.00 H new ATOM 765 N PRO A 49 0.822 13.344 -1.869 1.00 0.00 N ATOM 766 CA PRO A 49 0.260 14.627 -1.407 1.00 0.00 C ATOM 767 C PRO A 49 -1.148 14.427 -0.831 1.00 0.00 C ATOM 768 O PRO A 49 -1.883 15.375 -0.633 1.00 0.00 O ATOM 769 CB PRO A 49 0.200 15.470 -2.682 1.00 0.00 C ATOM 770 CG PRO A 49 0.175 14.471 -3.865 1.00 0.00 C ATOM 771 CD PRO A 49 0.722 13.135 -3.329 1.00 0.00 C ATOM 0 HA PRO A 49 0.851 15.088 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.688 16.102 -2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.063 16.132 -2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.839 14.349 -4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.785 14.835 -4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.055 12.307 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.693 12.898 -3.765 1.00 0.00 H new ATOM 779 N ASP A 50 -1.534 13.208 -0.569 1.00 0.00 N ATOM 780 CA ASP A 50 -2.897 12.966 -0.017 1.00 0.00 C ATOM 781 C ASP A 50 -2.794 12.389 1.397 1.00 0.00 C ATOM 782 O ASP A 50 -3.774 11.958 1.972 1.00 0.00 O ATOM 783 CB ASP A 50 -3.637 11.975 -0.918 1.00 0.00 C ATOM 784 CG ASP A 50 -3.919 12.629 -2.271 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.895 13.355 -2.364 1.00 0.00 O ATOM 786 OD2 ASP A 50 -3.154 12.392 -3.192 1.00 0.00 O ATOM 0 H ASP A 50 -0.967 12.372 -0.713 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.442 13.909 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.038 11.075 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.572 11.668 -0.449 1.00 0.00 H new ATOM 791 N LEU A 51 -1.619 12.377 1.965 1.00 0.00 N ATOM 792 CA LEU A 51 -1.466 11.827 3.345 1.00 0.00 C ATOM 793 C LEU A 51 -0.581 12.764 4.167 1.00 0.00 C ATOM 794 O LEU A 51 -0.042 12.386 5.190 1.00 0.00 O ATOM 795 CB LEU A 51 -0.817 10.433 3.305 1.00 0.00 C ATOM 796 CG LEU A 51 -0.695 9.930 1.864 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.342 8.808 1.804 1.00 0.00 C ATOM 798 CD2 LEU A 51 -2.049 9.394 1.394 1.00 0.00 C ATOM 0 H LEU A 51 -0.760 12.723 1.536 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.454 11.745 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.170 10.473 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.413 9.733 3.890 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.384 10.751 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.430 8.449 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.307 9.186 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.029 7.988 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.962 9.036 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.359 8.573 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.791 10.191 1.439 1.00 0.00 H new ATOM 810 N ASN A 52 -0.421 13.982 3.730 1.00 0.00 N ATOM 811 CA ASN A 52 0.435 14.938 4.487 1.00 0.00 C ATOM 812 C ASN A 52 1.853 14.374 4.587 1.00 0.00 C ATOM 813 O ASN A 52 2.560 14.610 5.547 1.00 0.00 O ATOM 814 CB ASN A 52 -0.132 15.134 5.894 1.00 0.00 C ATOM 815 CG ASN A 52 -1.638 15.394 5.807 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.417 14.741 6.472 1.00 0.00 O ATOM 817 ND2 ASN A 52 -2.082 16.326 5.010 1.00 0.00 N ATOM 0 H ASN A 52 -0.846 14.357 2.882 1.00 0.00 H new ATOM 0 HA ASN A 52 0.455 15.897 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.060 14.250 6.501 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.365 15.971 6.384 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.084 16.507 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.427 16.874 4.452 1.00 0.00 H new ATOM 824 N ALA A 53 2.274 13.629 3.603 1.00 0.00 N ATOM 825 CA ALA A 53 3.645 13.048 3.641 1.00 0.00 C ATOM 826 C ALA A 53 4.655 14.096 3.168 1.00 0.00 C ATOM 827 O ALA A 53 4.465 14.744 2.159 1.00 0.00 O ATOM 828 CB ALA A 53 3.706 11.828 2.721 1.00 0.00 C ATOM 0 H ALA A 53 1.727 13.397 2.774 1.00 0.00 H new ATOM 0 HA ALA A 53 3.885 12.746 4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.709 11.402 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.986 11.082 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.467 12.129 1.701 1.00 0.00 H new ATOM 834 N ALA A 54 5.728 14.264 3.890 1.00 0.00 N ATOM 835 CA ALA A 54 6.750 15.268 3.482 1.00 0.00 C ATOM 836 C ALA A 54 7.698 14.640 2.458 1.00 0.00 C ATOM 837 O ALA A 54 8.500 15.314 1.845 1.00 0.00 O ATOM 838 CB ALA A 54 7.546 15.712 4.711 1.00 0.00 C ATOM 0 H ALA A 54 5.941 13.750 4.745 1.00 0.00 H new ATOM 0 HA ALA A 54 6.256 16.132 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.294 16.447 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.870 16.157 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.042 14.849 5.155 1.00 0.00 H new ATOM 844 N SER A 55 7.610 13.352 2.269 1.00 0.00 N ATOM 845 CA SER A 55 8.504 12.679 1.285 1.00 0.00 C ATOM 846 C SER A 55 8.045 11.233 1.089 1.00 0.00 C ATOM 847 O SER A 55 7.085 10.790 1.688 1.00 0.00 O ATOM 848 CB SER A 55 9.939 12.689 1.809 1.00 0.00 C ATOM 849 OG SER A 55 9.920 12.659 3.230 1.00 0.00 O ATOM 0 H SER A 55 6.957 12.736 2.754 1.00 0.00 H new ATOM 0 HA SER A 55 8.461 13.209 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.485 11.829 1.423 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.460 13.580 1.459 1.00 0.00 H new ATOM 0 HG SER A 55 10.839 12.664 3.570 1.00 0.00 H new ATOM 855 N ILE A 56 8.724 10.493 0.256 1.00 0.00 N ATOM 856 CA ILE A 56 8.327 9.076 0.025 1.00 0.00 C ATOM 857 C ILE A 56 8.574 8.267 1.297 1.00 0.00 C ATOM 858 O ILE A 56 7.739 7.497 1.728 1.00 0.00 O ATOM 859 CB ILE A 56 9.160 8.493 -1.114 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.084 9.420 -2.328 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.616 7.112 -1.489 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.663 9.403 -2.897 1.00 0.00 C ATOM 0 H ILE A 56 9.536 10.809 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 56 7.270 9.033 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 56 10.198 8.399 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.360 10.435 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.795 9.099 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.210 6.695 -2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.672 6.452 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.578 7.204 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.610 10.064 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.404 8.388 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.962 9.745 -2.135 1.00 0.00 H new ATOM 874 N GLU A 57 9.716 8.434 1.908 1.00 0.00 N ATOM 875 CA GLU A 57 10.003 7.674 3.155 1.00 0.00 C ATOM 876 C GLU A 57 8.784 7.748 4.074 1.00 0.00 C ATOM 877 O GLU A 57 8.558 6.880 4.894 1.00 0.00 O ATOM 878 CB GLU A 57 11.219 8.282 3.859 1.00 0.00 C ATOM 879 CG GLU A 57 12.499 7.769 3.197 1.00 0.00 C ATOM 880 CD GLU A 57 13.521 8.904 3.104 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.303 9.923 3.737 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.503 8.735 2.401 1.00 0.00 O ATOM 0 H GLU A 57 10.458 9.061 1.598 1.00 0.00 H new ATOM 0 HA GLU A 57 10.217 6.633 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.179 9.370 3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.212 8.016 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.912 6.941 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.276 7.384 2.202 1.00 0.00 H new ATOM 889 N ALA A 58 7.990 8.775 3.935 1.00 0.00 N ATOM 890 CA ALA A 58 6.779 8.906 4.790 1.00 0.00 C ATOM 891 C ALA A 58 5.600 8.214 4.103 1.00 0.00 C ATOM 892 O ALA A 58 4.769 7.602 4.743 1.00 0.00 O ATOM 893 CB ALA A 58 6.453 10.388 4.992 1.00 0.00 C ATOM 0 H ALA A 58 8.130 9.530 3.264 1.00 0.00 H new ATOM 0 HA ALA A 58 6.963 8.441 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.566 10.483 5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.294 10.883 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.266 10.855 4.025 1.00 0.00 H new ATOM 899 N ALA A 59 5.524 8.301 2.801 1.00 0.00 N ATOM 900 CA ALA A 59 4.399 7.643 2.076 1.00 0.00 C ATOM 901 C ALA A 59 4.675 6.142 1.969 1.00 0.00 C ATOM 902 O ALA A 59 3.987 5.330 2.556 1.00 0.00 O ATOM 903 CB ALA A 59 4.276 8.241 0.673 1.00 0.00 C ATOM 0 H ALA A 59 6.191 8.798 2.210 1.00 0.00 H new ATOM 0 HA ALA A 59 3.469 7.805 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.454 7.760 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.082 9.311 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.205 8.079 0.126 1.00 0.00 H new ATOM 909 N MET A 60 5.678 5.766 1.224 1.00 0.00 N ATOM 910 CA MET A 60 5.995 4.318 1.086 1.00 0.00 C ATOM 911 C MET A 60 5.985 3.668 2.470 1.00 0.00 C ATOM 912 O MET A 60 5.701 2.497 2.615 1.00 0.00 O ATOM 913 CB MET A 60 7.378 4.154 0.453 1.00 0.00 C ATOM 914 CG MET A 60 7.423 2.848 -0.344 1.00 0.00 C ATOM 915 SD MET A 60 8.769 1.809 0.276 1.00 0.00 S ATOM 916 CE MET A 60 10.099 2.565 -0.687 1.00 0.00 C ATOM 0 H MET A 60 6.290 6.397 0.707 1.00 0.00 H new ATOM 0 HA MET A 60 5.250 3.839 0.451 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.593 4.999 -0.201 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.145 4.147 1.227 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.473 2.322 -0.255 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.571 3.061 -1.403 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.057 2.352 -0.213 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.095 2.156 -1.697 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.948 3.644 -0.732 1.00 0.00 H new ATOM 926 N ARG A 61 6.291 4.424 3.491 1.00 0.00 N ATOM 927 CA ARG A 61 6.294 3.851 4.867 1.00 0.00 C ATOM 928 C ARG A 61 4.913 3.278 5.175 1.00 0.00 C ATOM 929 O ARG A 61 4.777 2.145 5.594 1.00 0.00 O ATOM 930 CB ARG A 61 6.629 4.950 5.878 1.00 0.00 C ATOM 931 CG ARG A 61 7.978 4.649 6.534 1.00 0.00 C ATOM 932 CD ARG A 61 8.039 5.323 7.907 1.00 0.00 C ATOM 933 NE ARG A 61 9.234 4.832 8.650 1.00 0.00 N ATOM 934 CZ ARG A 61 10.240 5.633 8.870 1.00 0.00 C ATOM 935 NH1 ARG A 61 10.248 6.395 9.930 1.00 0.00 N ATOM 936 NH2 ARG A 61 11.238 5.672 8.031 1.00 0.00 N ATOM 0 H ARG A 61 6.538 5.412 3.431 1.00 0.00 H new ATOM 0 HA ARG A 61 7.042 3.061 4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.664 5.919 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.849 5.010 6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.111 3.572 6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.790 5.010 5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.090 6.406 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.132 5.105 8.471 1.00 0.00 H new ATOM 0 HE ARG A 61 9.265 3.870 8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.468 6.364 10.586 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.035 7.021 10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.232 5.076 7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.025 6.298 8.203 1.00 0.00 H new ATOM 950 N MET A 62 3.886 4.050 4.963 1.00 0.00 N ATOM 951 CA MET A 62 2.509 3.554 5.236 1.00 0.00 C ATOM 952 C MET A 62 2.218 2.356 4.327 1.00 0.00 C ATOM 953 O MET A 62 1.526 1.432 4.703 1.00 0.00 O ATOM 954 CB MET A 62 1.499 4.668 4.956 1.00 0.00 C ATOM 955 CG MET A 62 1.898 5.926 5.730 1.00 0.00 C ATOM 956 SD MET A 62 0.749 7.267 5.334 1.00 0.00 S ATOM 957 CE MET A 62 1.993 8.535 4.984 1.00 0.00 C ATOM 0 H MET A 62 3.940 5.006 4.611 1.00 0.00 H new ATOM 0 HA MET A 62 2.428 3.250 6.280 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.464 4.881 3.888 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.499 4.349 5.250 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.885 5.726 6.801 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.916 6.217 5.472 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.542 9.523 5.080 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.817 8.442 5.692 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.370 8.405 3.970 1.00 0.00 H new ATOM 967 N ILE A 63 2.749 2.366 3.134 1.00 0.00 N ATOM 968 CA ILE A 63 2.510 1.226 2.202 1.00 0.00 C ATOM 969 C ILE A 63 3.285 0.000 2.692 1.00 0.00 C ATOM 970 O ILE A 63 2.979 -1.120 2.339 1.00 0.00 O ATOM 971 CB ILE A 63 2.980 1.611 0.795 1.00 0.00 C ATOM 972 CG1 ILE A 63 1.953 2.548 0.156 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.123 0.356 -0.067 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.731 3.760 1.062 1.00 0.00 C ATOM 0 H ILE A 63 3.337 3.113 2.765 1.00 0.00 H new ATOM 0 HA ILE A 63 1.446 0.991 2.173 1.00 0.00 H new ATOM 0 HB ILE A 63 3.945 2.113 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.302 2.873 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.012 2.021 0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.457 0.637 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.854 -0.315 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.160 -0.150 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.999 4.426 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.362 3.426 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.673 4.292 1.195 1.00 0.00 H new ATOM 986 N GLU A 64 4.288 0.203 3.502 1.00 0.00 N ATOM 987 CA GLU A 64 5.077 -0.956 4.009 1.00 0.00 C ATOM 988 C GLU A 64 4.342 -1.600 5.186 1.00 0.00 C ATOM 989 O GLU A 64 3.787 -2.674 5.070 1.00 0.00 O ATOM 990 CB GLU A 64 6.455 -0.474 4.469 1.00 0.00 C ATOM 991 CG GLU A 64 7.513 -1.507 4.079 1.00 0.00 C ATOM 992 CD GLU A 64 8.176 -2.062 5.341 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.553 -2.870 6.007 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.298 -1.669 5.618 1.00 0.00 O ATOM 0 H GLU A 64 4.595 1.118 3.834 1.00 0.00 H new ATOM 0 HA GLU A 64 5.196 -1.689 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.686 0.489 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.458 -0.324 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.054 -2.316 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.262 -1.049 3.433 1.00 0.00 H new ATOM 1001 N GLY A 65 4.335 -0.955 6.320 1.00 0.00 N ATOM 1002 CA GLY A 65 3.635 -1.533 7.502 1.00 0.00 C ATOM 1003 C GLY A 65 2.232 -1.987 7.096 1.00 0.00 C ATOM 1004 O GLY A 65 1.745 -3.006 7.545 1.00 0.00 O ATOM 0 H GLY A 65 4.784 -0.053 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.201 -2.377 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.572 -0.792 8.299 1.00 0.00 H new ATOM 1008 N THR A 66 1.579 -1.239 6.250 1.00 0.00 N ATOM 1009 CA THR A 66 0.207 -1.627 5.815 1.00 0.00 C ATOM 1010 C THR A 66 0.292 -2.801 4.835 1.00 0.00 C ATOM 1011 O THR A 66 -0.469 -3.745 4.916 1.00 0.00 O ATOM 1012 CB THR A 66 -0.466 -0.436 5.129 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.597 0.630 6.059 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.849 -0.848 4.625 1.00 0.00 C ATOM 0 H THR A 66 1.936 -0.376 5.841 1.00 0.00 H new ATOM 0 HA THR A 66 -0.379 -1.924 6.685 1.00 0.00 H new ATOM 0 HB THR A 66 0.142 -0.111 4.285 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.113 1.288 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.326 0.002 4.137 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.748 -1.666 3.912 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.461 -1.174 5.466 1.00 0.00 H new ATOM 1022 N ALA A 67 1.210 -2.751 3.909 1.00 0.00 N ATOM 1023 CA ALA A 67 1.339 -3.866 2.926 1.00 0.00 C ATOM 1024 C ALA A 67 2.305 -4.919 3.473 1.00 0.00 C ATOM 1025 O ALA A 67 2.995 -5.587 2.728 1.00 0.00 O ATOM 1026 CB ALA A 67 1.877 -3.322 1.602 1.00 0.00 C ATOM 0 H ALA A 67 1.876 -1.988 3.790 1.00 0.00 H new ATOM 0 HA ALA A 67 0.361 -4.318 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.971 -4.137 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.190 -2.572 1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.855 -2.868 1.765 1.00 0.00 H new ATOM 1032 N ARG A 68 2.362 -5.072 4.767 1.00 0.00 N ATOM 1033 CA ARG A 68 3.287 -6.081 5.355 1.00 0.00 C ATOM 1034 C ARG A 68 2.580 -6.823 6.492 1.00 0.00 C ATOM 1035 O ARG A 68 2.521 -8.037 6.510 1.00 0.00 O ATOM 1036 CB ARG A 68 4.530 -5.375 5.901 1.00 0.00 C ATOM 1037 CG ARG A 68 5.542 -6.418 6.377 1.00 0.00 C ATOM 1038 CD ARG A 68 6.138 -7.140 5.168 1.00 0.00 C ATOM 1039 NE ARG A 68 6.746 -8.427 5.610 1.00 0.00 N ATOM 1040 CZ ARG A 68 6.114 -9.186 6.463 1.00 0.00 C ATOM 1041 NH1 ARG A 68 5.202 -10.018 6.045 1.00 0.00 N ATOM 1042 NH2 ARG A 68 6.395 -9.111 7.736 1.00 0.00 N ATOM 0 H ARG A 68 1.809 -4.543 5.442 1.00 0.00 H new ATOM 0 HA ARG A 68 3.582 -6.795 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.974 -4.748 5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.255 -4.717 6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.333 -5.937 6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.057 -7.135 7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.363 -7.327 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.892 -6.513 4.692 1.00 0.00 H new ATOM 0 HE ARG A 68 7.655 -8.714 5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.982 -10.076 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.708 -10.611 6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.108 -8.459 8.063 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.901 -9.704 8.403 1.00 0.00 H new ATOM 1056 N SER A 69 2.043 -6.104 7.441 1.00 0.00 N ATOM 1057 CA SER A 69 1.341 -6.771 8.574 1.00 0.00 C ATOM 1058 C SER A 69 -0.048 -7.224 8.122 1.00 0.00 C ATOM 1059 O SER A 69 -0.758 -7.894 8.845 1.00 0.00 O ATOM 1060 CB SER A 69 1.205 -5.790 9.738 1.00 0.00 C ATOM 1061 OG SER A 69 2.150 -6.124 10.747 1.00 0.00 O ATOM 0 H SER A 69 2.060 -5.085 7.480 1.00 0.00 H new ATOM 0 HA SER A 69 1.917 -7.639 8.896 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.372 -4.770 9.391 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.194 -5.827 10.144 1.00 0.00 H new ATOM 0 HG SER A 69 2.067 -5.496 11.494 1.00 0.00 H new ATOM 1067 N MET A 70 -0.442 -6.867 6.930 1.00 0.00 N ATOM 1068 CA MET A 70 -1.785 -7.282 6.437 1.00 0.00 C ATOM 1069 C MET A 70 -1.668 -8.619 5.698 1.00 0.00 C ATOM 1070 O MET A 70 -2.652 -9.194 5.277 1.00 0.00 O ATOM 1071 CB MET A 70 -2.333 -6.217 5.485 1.00 0.00 C ATOM 1072 CG MET A 70 -3.323 -5.323 6.235 1.00 0.00 C ATOM 1073 SD MET A 70 -3.252 -3.645 5.561 1.00 0.00 S ATOM 1074 CE MET A 70 -3.317 -4.099 3.811 1.00 0.00 C ATOM 0 H MET A 70 0.107 -6.307 6.278 1.00 0.00 H new ATOM 0 HA MET A 70 -2.463 -7.394 7.283 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.516 -5.617 5.085 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.826 -6.691 4.636 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.333 -5.722 6.141 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.084 -5.310 7.298 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.955 -3.395 3.276 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.312 -4.070 3.390 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.724 -5.105 3.711 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.472 -9.120 5.539 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.296 -10.419 4.830 1.00 0.00 C ATOM 1086 C GLY A 71 0.505 -10.199 3.544 1.00 0.00 C ATOM 1087 O GLY A 71 1.276 -11.042 3.132 1.00 0.00 O ATOM 0 H GLY A 71 0.390 -8.686 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.221 -11.130 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.269 -10.851 4.595 1.00 0.00 H new ATOM 1091 N ILE A 72 0.330 -9.074 2.908 1.00 0.00 N ATOM 1092 CA ILE A 72 1.082 -8.803 1.651 1.00 0.00 C ATOM 1093 C ILE A 72 2.549 -8.529 1.985 1.00 0.00 C ATOM 1094 O ILE A 72 2.861 -7.904 2.977 1.00 0.00 O ATOM 1095 CB ILE A 72 0.486 -7.577 0.956 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -1.036 -7.722 0.884 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.054 -7.460 -0.460 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.688 -6.679 1.794 1.00 0.00 C ATOM 0 H ILE A 72 -0.302 -8.330 3.205 1.00 0.00 H new ATOM 0 HA ILE A 72 1.012 -9.668 0.992 1.00 0.00 H new ATOM 0 HB ILE A 72 0.741 -6.681 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.377 -7.589 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.332 -8.725 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.627 -6.586 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.138 -7.355 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.802 -8.355 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.772 -6.780 1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.356 -6.833 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.401 -5.680 1.466 1.00 0.00 H new ATOM 1110 N VAL A 73 3.452 -8.986 1.161 1.00 0.00 N ATOM 1111 CA VAL A 73 4.895 -8.738 1.434 1.00 0.00 C ATOM 1112 C VAL A 73 5.423 -7.723 0.411 1.00 0.00 C ATOM 1113 O VAL A 73 4.684 -7.217 -0.410 1.00 0.00 O ATOM 1114 CB VAL A 73 5.669 -10.071 1.352 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.368 -10.224 -0.006 1.00 0.00 C ATOM 1116 CG2 VAL A 73 6.718 -10.112 2.465 1.00 0.00 C ATOM 0 H VAL A 73 3.254 -9.518 0.314 1.00 0.00 H new ATOM 0 HA VAL A 73 5.032 -8.329 2.435 1.00 0.00 H new ATOM 0 HB VAL A 73 4.959 -10.890 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.905 -11.172 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.624 -10.205 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.072 -9.404 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.268 -11.052 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.410 -9.279 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.224 -10.035 3.434 1.00 0.00 H new ATOM 1126 N VAL A 74 6.691 -7.421 0.450 1.00 0.00 N ATOM 1127 CA VAL A 74 7.242 -6.443 -0.526 1.00 0.00 C ATOM 1128 C VAL A 74 8.639 -6.901 -0.968 1.00 0.00 C ATOM 1129 O VAL A 74 9.390 -7.464 -0.196 1.00 0.00 O ATOM 1130 CB VAL A 74 7.284 -5.045 0.126 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.695 -4.701 0.616 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.832 -3.999 -0.894 1.00 0.00 C ATOM 0 H VAL A 74 7.365 -7.807 1.111 1.00 0.00 H new ATOM 0 HA VAL A 74 6.608 -6.387 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 74 6.615 -5.048 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.691 -3.710 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.013 -5.437 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.385 -4.711 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.860 -3.010 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.498 -4.020 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.815 -4.221 -1.216 1.00 0.00 H new ATOM 1142 N GLU A 75 8.986 -6.673 -2.206 1.00 0.00 N ATOM 1143 CA GLU A 75 10.326 -7.107 -2.696 1.00 0.00 C ATOM 1144 C GLU A 75 11.160 -5.881 -3.074 1.00 0.00 C ATOM 1145 O GLU A 75 10.633 -4.829 -3.372 1.00 0.00 O ATOM 1146 CB GLU A 75 10.150 -7.997 -3.927 1.00 0.00 C ATOM 1147 CG GLU A 75 10.403 -9.456 -3.545 1.00 0.00 C ATOM 1148 CD GLU A 75 11.078 -10.176 -4.712 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.292 -10.097 -4.808 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.371 -10.793 -5.491 1.00 0.00 O ATOM 0 H GLU A 75 8.401 -6.206 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 75 10.836 -7.662 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.143 -7.885 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.842 -7.691 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.034 -9.507 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.462 -9.947 -3.296 1.00 0.00 H new ATOM 1157 N ASP A 76 12.458 -6.013 -3.067 1.00 0.00 N ATOM 1158 CA ASP A 76 13.328 -4.858 -3.429 1.00 0.00 C ATOM 1159 C ASP A 76 14.751 -5.355 -3.691 1.00 0.00 C ATOM 1160 O ASP A 76 15.350 -5.889 -2.772 1.00 0.00 O ATOM 1161 CB ASP A 76 13.344 -3.849 -2.279 1.00 0.00 C ATOM 1162 CG ASP A 76 13.826 -4.538 -1.001 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.027 -4.567 -0.784 1.00 0.00 O ATOM 1164 OD2 ASP A 76 12.988 -5.025 -0.261 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.218 -5.192 -4.806 1.00 0.00 O ATOM 0 H ASP A 76 12.954 -6.871 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 76 12.939 -4.378 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.000 -3.013 -2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.346 -3.437 -2.129 1.00 0.00 H new TER 1170 ASP A 76