USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot -3:sc= 0.965 USER MOD Set 1.2: A 101 TYR OH : rot 6:sc= 1.1 USER MOD Set 1.3: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= -1.03 USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc=-0.00457 USER MOD Single : A 18 THR OG1 : rot -29:sc= 0.198 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.027) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -2.78! (180deg=-3.35!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -3.6 K(o=-3.6,f=-4.3!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.919 USER MOD Single : A 42 GLN : amide:sc= -0.0135 X(o=-0.014,f=-0.23) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -116:sc= -0.263 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.791 K(o=-0.79,f=0) USER MOD Single : A 56 THR OG1 : rot -128:sc= 0.396 USER MOD Single : A 71 THR OG1 : rot -54:sc=-0.00707 USER MOD Single : A 74 ASN : amide:sc= -0.41 K(o=-0.41,f=-3.2!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -147:sc= 0.108 (180deg=-0.0787) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.073 USER MOD Single : A 83 LYS NZ :NH3+ 137:sc= -0.392 (180deg=-2.54!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 173:sc= -2.93 (180deg=-3.55) USER MOD Single : A 91 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.68) USER MOD Single : A 94 LYS NZ :NH3+ 147:sc= 1.15 (180deg=-0.819) USER MOD Single : A 100 HIS : no HE2:sc= -0.642 X(o=-0.64,f=-0.45) USER MOD Single : A 102 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.8) USER MOD Single : B 122 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 18 0.279 -8.306 -10.514 1.00 0.00 N ATOM 2 CA THR A 18 0.007 -7.508 -9.324 1.00 0.00 C ATOM 3 C THR A 18 -0.554 -6.142 -9.707 1.00 0.00 C ATOM 4 O THR A 18 -0.766 -5.858 -10.886 1.00 0.00 O ATOM 5 CB THR A 18 1.280 -7.336 -8.495 1.00 0.00 C ATOM 6 OG1 THR A 18 2.348 -6.877 -9.305 1.00 0.00 O ATOM 7 CG2 THR A 18 1.733 -8.614 -7.821 1.00 0.00 C ATOM 0 HA THR A 18 -0.737 -8.034 -8.725 1.00 0.00 H new ATOM 0 HB THR A 18 1.026 -6.608 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.218 -7.189 -10.225 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.641 -8.422 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.950 -8.969 -7.150 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.934 -9.373 -8.577 1.00 0.00 H new ATOM 15 N VAL A 19 -0.792 -5.300 -8.707 1.00 0.00 N ATOM 16 CA VAL A 19 -1.329 -3.965 -8.947 1.00 0.00 C ATOM 17 C VAL A 19 -0.355 -2.884 -8.481 1.00 0.00 C ATOM 18 O VAL A 19 -0.507 -2.330 -7.392 1.00 0.00 O ATOM 19 CB VAL A 19 -2.679 -3.764 -8.234 1.00 0.00 C ATOM 20 CG1 VAL A 19 -3.317 -2.451 -8.658 1.00 0.00 C ATOM 21 CG2 VAL A 19 -3.610 -4.934 -8.515 1.00 0.00 C ATOM 0 H VAL A 19 -0.622 -5.517 -7.725 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.478 -3.876 -10.023 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.499 -3.722 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.270 -2.327 -8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.655 -1.625 -8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.484 -2.459 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.559 -4.775 -8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.785 -5.010 -9.588 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.154 -5.856 -8.155 1.00 0.00 H new ATOM 31 N PRO A 20 0.660 -2.567 -9.305 1.00 0.00 N ATOM 32 CA PRO A 20 1.657 -1.545 -8.972 1.00 0.00 C ATOM 33 C PRO A 20 1.028 -0.167 -8.797 1.00 0.00 C ATOM 34 O PRO A 20 0.291 0.304 -9.664 1.00 0.00 O ATOM 35 CB PRO A 20 2.605 -1.549 -10.178 1.00 0.00 C ATOM 36 CG PRO A 20 2.358 -2.847 -10.866 1.00 0.00 C ATOM 37 CD PRO A 20 0.914 -3.176 -10.619 1.00 0.00 C ATOM 0 HA PRO A 20 2.156 -1.760 -8.027 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.402 -0.708 -10.841 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.645 -1.463 -9.862 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.564 -2.768 -11.934 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.009 -3.628 -10.473 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.267 -2.758 -11.390 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.741 -4.252 -10.606 1.00 0.00 H new ATOM 45 N GLY A 21 1.323 0.479 -7.674 1.00 0.00 N ATOM 46 CA GLY A 21 0.774 1.796 -7.412 1.00 0.00 C ATOM 47 C GLY A 21 1.691 2.653 -6.562 1.00 0.00 C ATOM 48 O GLY A 21 2.085 2.254 -5.465 1.00 0.00 O ATOM 0 H GLY A 21 1.932 0.114 -6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.585 2.302 -8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.188 1.691 -6.910 1.00 0.00 H new ATOM 52 N LYS A 22 2.026 3.835 -7.067 1.00 0.00 N ATOM 53 CA LYS A 22 2.900 4.756 -6.347 1.00 0.00 C ATOM 54 C LYS A 22 2.116 5.965 -5.849 1.00 0.00 C ATOM 55 O LYS A 22 1.642 6.779 -6.640 1.00 0.00 O ATOM 56 CB LYS A 22 4.048 5.214 -7.250 1.00 0.00 C ATOM 57 CG LYS A 22 3.584 5.781 -8.583 1.00 0.00 C ATOM 58 CD LYS A 22 4.113 7.190 -8.806 1.00 0.00 C ATOM 59 CE LYS A 22 4.411 7.450 -10.275 1.00 0.00 C ATOM 60 NZ LYS A 22 3.693 8.650 -10.784 1.00 0.00 N ATOM 0 H LYS A 22 1.706 4.179 -7.972 1.00 0.00 H new ATOM 0 HA LYS A 22 3.313 4.231 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.632 5.971 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.713 4.370 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.921 5.133 -9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.495 5.791 -8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.381 7.915 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.020 7.336 -8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.484 7.585 -10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.124 6.579 -10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.923 8.792 -11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.668 8.511 -10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.986 9.487 -10.240 1.00 0.00 H new ATOM 74 N VAL A 23 1.980 6.075 -4.530 1.00 0.00 N ATOM 75 CA VAL A 23 1.250 7.184 -3.929 1.00 0.00 C ATOM 76 C VAL A 23 2.203 8.207 -3.321 1.00 0.00 C ATOM 77 O VAL A 23 3.224 7.848 -2.734 1.00 0.00 O ATOM 78 CB VAL A 23 0.273 6.690 -2.843 1.00 0.00 C ATOM 79 CG1 VAL A 23 1.029 6.028 -1.700 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.590 7.835 -2.334 1.00 0.00 C ATOM 0 H VAL A 23 2.366 5.410 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 23 0.680 7.659 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.385 5.944 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.321 5.687 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.592 5.176 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.717 6.747 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.272 7.464 -1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.048 8.609 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.165 8.253 -3.161 1.00 0.00 H new ATOM 90 N THR A 24 1.863 9.484 -3.466 1.00 0.00 N ATOM 91 CA THR A 24 2.689 10.561 -2.929 1.00 0.00 C ATOM 92 C THR A 24 2.013 11.217 -1.730 1.00 0.00 C ATOM 93 O THR A 24 1.289 12.203 -1.875 1.00 0.00 O ATOM 94 CB THR A 24 2.964 11.607 -4.011 1.00 0.00 C ATOM 95 OG1 THR A 24 3.516 11.000 -5.165 1.00 0.00 O ATOM 96 CG2 THR A 24 3.916 12.695 -3.562 1.00 0.00 C ATOM 0 H THR A 24 1.022 9.799 -3.950 1.00 0.00 H new ATOM 0 HA THR A 24 3.635 10.132 -2.600 1.00 0.00 H new ATOM 0 HB THR A 24 1.997 12.061 -4.229 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.684 11.684 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.068 13.404 -4.376 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.494 13.215 -2.702 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.872 12.250 -3.284 1.00 0.00 H new ATOM 104 N LEU A 25 2.257 10.666 -0.546 1.00 0.00 N ATOM 105 CA LEU A 25 1.674 11.199 0.680 1.00 0.00 C ATOM 106 C LEU A 25 2.652 12.129 1.387 1.00 0.00 C ATOM 107 O LEU A 25 3.849 11.851 1.457 1.00 0.00 O ATOM 108 CB LEU A 25 1.269 10.060 1.617 1.00 0.00 C ATOM 109 CG LEU A 25 0.519 8.907 0.947 1.00 0.00 C ATOM 110 CD1 LEU A 25 0.815 7.595 1.659 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.978 9.182 0.927 1.00 0.00 C ATOM 0 H LEU A 25 2.854 9.851 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 25 0.786 11.770 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.167 9.663 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.643 10.468 2.411 1.00 0.00 H new ATOM 0 HG LEU A 25 0.864 8.824 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.274 6.785 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.885 7.392 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.498 7.666 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.494 8.351 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.341 9.293 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.172 10.099 0.371 1.00 0.00 H new ATOM 123 N GLN A 26 2.136 13.235 1.914 1.00 0.00 N ATOM 124 CA GLN A 26 2.966 14.205 2.618 1.00 0.00 C ATOM 125 C GLN A 26 3.199 13.772 4.062 1.00 0.00 C ATOM 126 O GLN A 26 2.492 12.911 4.584 1.00 0.00 O ATOM 127 CB GLN A 26 2.311 15.589 2.584 1.00 0.00 C ATOM 128 CG GLN A 26 3.084 16.608 1.761 1.00 0.00 C ATOM 129 CD GLN A 26 2.362 16.999 0.487 1.00 0.00 C ATOM 130 OE1 GLN A 26 2.343 18.170 0.106 1.00 0.00 O ATOM 131 NE2 GLN A 26 1.762 16.020 -0.179 1.00 0.00 N ATOM 0 H GLN A 26 1.147 13.481 1.867 1.00 0.00 H new ATOM 0 HA GLN A 26 3.931 14.257 2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.304 15.495 2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.210 15.959 3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.258 17.499 2.364 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.062 16.198 1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.803 15.064 0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.260 16.224 -1.043 1.00 0.00 H new ATOM 140 N LYS A 27 4.197 14.375 4.701 1.00 0.00 N ATOM 141 CA LYS A 27 4.524 14.051 6.083 1.00 0.00 C ATOM 142 C LYS A 27 3.543 14.716 7.045 1.00 0.00 C ATOM 143 O LYS A 27 3.288 15.917 6.954 1.00 0.00 O ATOM 144 CB LYS A 27 5.952 14.491 6.406 1.00 0.00 C ATOM 145 CG LYS A 27 7.016 13.663 5.703 1.00 0.00 C ATOM 146 CD LYS A 27 7.654 12.655 6.646 1.00 0.00 C ATOM 147 CE LYS A 27 7.959 11.345 5.938 1.00 0.00 C ATOM 148 NZ LYS A 27 6.746 10.494 5.792 1.00 0.00 N ATOM 0 H LYS A 27 4.792 15.090 4.283 1.00 0.00 H new ATOM 0 HA LYS A 27 4.448 12.971 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.073 15.537 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.108 14.429 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.571 13.140 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.785 14.323 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.574 13.071 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.986 12.468 7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.376 11.554 4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.719 10.799 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.031 9.514 5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.194 10.522 6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.164 10.851 5.007 1.00 0.00 H new ATOM 162 N ASP A 28 2.995 13.927 7.963 1.00 0.00 N ATOM 163 CA ASP A 28 2.040 14.439 8.940 1.00 0.00 C ATOM 164 C ASP A 28 2.702 15.446 9.875 1.00 0.00 C ATOM 165 O ASP A 28 3.852 15.835 9.671 1.00 0.00 O ATOM 166 CB ASP A 28 1.443 13.288 9.751 1.00 0.00 C ATOM 167 CG ASP A 28 -0.031 13.489 10.041 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.748 13.997 9.154 1.00 0.00 O ATOM 169 OD2 ASP A 28 -0.470 13.138 11.157 1.00 0.00 O ATOM 0 H ASP A 28 3.195 12.931 8.051 1.00 0.00 H new ATOM 0 HA ASP A 28 1.241 14.946 8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.579 12.354 9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.985 13.190 10.691 1.00 0.00 H new ATOM 174 N ALA A 29 1.967 15.866 10.901 1.00 0.00 N ATOM 175 CA ALA A 29 2.481 16.827 11.868 1.00 0.00 C ATOM 176 C ALA A 29 3.683 16.266 12.616 1.00 0.00 C ATOM 177 O ALA A 29 4.577 17.007 13.024 1.00 0.00 O ATOM 178 CB ALA A 29 1.387 17.229 12.845 1.00 0.00 C ATOM 0 H ALA A 29 1.013 15.555 11.083 1.00 0.00 H new ATOM 0 HA ALA A 29 2.809 17.712 11.323 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.785 17.947 13.562 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.560 17.682 12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.031 16.346 13.376 1.00 0.00 H new ATOM 184 N GLN A 30 3.698 14.948 12.794 1.00 0.00 N ATOM 185 CA GLN A 30 4.792 14.285 13.494 1.00 0.00 C ATOM 186 C GLN A 30 5.788 13.689 12.505 1.00 0.00 C ATOM 187 O GLN A 30 6.423 12.675 12.787 1.00 0.00 O ATOM 188 CB GLN A 30 4.249 13.184 14.407 1.00 0.00 C ATOM 189 CG GLN A 30 3.467 12.111 13.667 1.00 0.00 C ATOM 190 CD GLN A 30 2.206 11.697 14.401 1.00 0.00 C ATOM 191 OE1 GLN A 30 2.259 10.948 15.376 1.00 0.00 O ATOM 192 NE2 GLN A 30 1.062 12.186 13.935 1.00 0.00 N ATOM 0 H GLN A 30 2.966 14.319 12.463 1.00 0.00 H new ATOM 0 HA GLN A 30 5.306 15.031 14.099 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.081 12.717 14.934 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.606 13.635 15.163 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.202 12.479 12.676 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.103 11.237 13.523 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.064 12.804 13.124 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.181 11.944 14.389 1.00 0.00 H new ATOM 201 N ASN A 31 5.916 14.328 11.343 1.00 0.00 N ATOM 202 CA ASN A 31 6.833 13.870 10.301 1.00 0.00 C ATOM 203 C ASN A 31 6.732 12.359 10.094 1.00 0.00 C ATOM 204 O ASN A 31 7.736 11.686 9.865 1.00 0.00 O ATOM 205 CB ASN A 31 8.274 14.260 10.645 1.00 0.00 C ATOM 206 CG ASN A 31 8.799 13.539 11.872 1.00 0.00 C ATOM 207 OD1 ASN A 31 8.589 13.978 13.004 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.486 12.423 11.654 1.00 0.00 N ATOM 0 H ASN A 31 5.393 15.169 11.099 1.00 0.00 H new ATOM 0 HA ASN A 31 6.546 14.358 9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.919 14.038 9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.325 15.336 10.811 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.863 11.894 12.441 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.637 12.095 10.700 1.00 0.00 H new ATOM 215 N LEU A 32 5.512 11.834 10.175 1.00 0.00 N ATOM 216 CA LEU A 32 5.281 10.406 9.997 1.00 0.00 C ATOM 217 C LEU A 32 3.957 10.150 9.284 1.00 0.00 C ATOM 218 O LEU A 32 2.885 10.356 9.852 1.00 0.00 O ATOM 219 CB LEU A 32 5.286 9.691 11.349 1.00 0.00 C ATOM 220 CG LEU A 32 6.601 9.774 12.125 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.350 9.625 13.619 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.575 8.712 11.636 1.00 0.00 C ATOM 0 H LEU A 32 4.669 12.377 10.363 1.00 0.00 H new ATOM 0 HA LEU A 32 6.089 10.012 9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.491 10.110 11.966 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.044 8.641 11.187 1.00 0.00 H new ATOM 0 HG LEU A 32 7.045 10.754 11.949 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.297 9.687 14.155 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.689 10.422 13.958 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.884 8.659 13.815 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.506 8.785 12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.139 7.724 11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.779 8.866 10.576 1.00 0.00 H new ATOM 234 N ILE A 33 4.038 9.697 8.035 1.00 0.00 N ATOM 235 CA ILE A 33 2.844 9.411 7.244 1.00 0.00 C ATOM 236 C ILE A 33 1.905 8.461 7.987 1.00 0.00 C ATOM 237 O ILE A 33 0.694 8.475 7.770 1.00 0.00 O ATOM 238 CB ILE A 33 3.198 8.801 5.871 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.295 7.742 6.013 1.00 0.00 C ATOM 240 CG2 ILE A 33 3.632 9.891 4.903 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.654 7.068 4.706 1.00 0.00 C ATOM 0 H ILE A 33 4.917 9.520 7.549 1.00 0.00 H new ATOM 0 HA ILE A 33 2.341 10.365 7.083 1.00 0.00 H new ATOM 0 HB ILE A 33 2.307 8.316 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.188 8.208 6.430 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.968 6.985 6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.878 9.445 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.821 10.608 4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.508 10.403 5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.437 6.330 4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.773 6.573 4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.011 7.815 3.997 1.00 0.00 H new ATOM 253 N GLY A 34 2.473 7.642 8.867 1.00 0.00 N ATOM 254 CA GLY A 34 1.674 6.706 9.635 1.00 0.00 C ATOM 255 C GLY A 34 1.452 5.389 8.916 1.00 0.00 C ATOM 256 O GLY A 34 0.334 5.083 8.500 1.00 0.00 O ATOM 0 H GLY A 34 3.474 7.610 9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.165 6.515 10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.708 7.159 9.859 1.00 0.00 H new ATOM 260 N ILE A 35 2.516 4.604 8.782 1.00 0.00 N ATOM 261 CA ILE A 35 2.435 3.305 8.120 1.00 0.00 C ATOM 262 C ILE A 35 3.440 2.329 8.719 1.00 0.00 C ATOM 263 O ILE A 35 4.645 2.587 8.723 1.00 0.00 O ATOM 264 CB ILE A 35 2.693 3.412 6.603 1.00 0.00 C ATOM 265 CG1 ILE A 35 3.866 4.352 6.321 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.442 3.883 5.876 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.892 3.767 5.373 1.00 0.00 C ATOM 0 H ILE A 35 3.447 4.845 9.123 1.00 0.00 H new ATOM 0 HA ILE A 35 1.420 2.939 8.277 1.00 0.00 H new ATOM 0 HB ILE A 35 2.951 2.421 6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.483 5.282 5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.354 4.604 7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.646 3.952 4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.633 3.172 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.149 4.863 6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.696 4.487 5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.302 2.852 5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.418 3.541 4.418 1.00 0.00 H new ATOM 279 N SER A 36 2.941 1.206 9.220 1.00 0.00 N ATOM 280 CA SER A 36 3.799 0.190 9.816 1.00 0.00 C ATOM 281 C SER A 36 4.286 -0.791 8.757 1.00 0.00 C ATOM 282 O SER A 36 3.664 -0.945 7.707 1.00 0.00 O ATOM 283 CB SER A 36 3.047 -0.560 10.918 1.00 0.00 C ATOM 284 OG SER A 36 3.813 -1.648 11.408 1.00 0.00 O ATOM 0 H SER A 36 1.947 0.976 9.225 1.00 0.00 H new ATOM 0 HA SER A 36 4.665 0.687 10.253 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.816 0.123 11.735 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.096 -0.926 10.530 1.00 0.00 H new ATOM 0 HG SER A 36 3.312 -2.110 12.112 1.00 0.00 H new ATOM 290 N ILE A 37 5.405 -1.452 9.037 1.00 0.00 N ATOM 291 CA ILE A 37 5.975 -2.417 8.105 1.00 0.00 C ATOM 292 C ILE A 37 6.673 -3.552 8.847 1.00 0.00 C ATOM 293 O ILE A 37 6.767 -3.540 10.074 1.00 0.00 O ATOM 294 CB ILE A 37 6.981 -1.750 7.148 1.00 0.00 C ATOM 295 CG1 ILE A 37 7.999 -0.924 7.935 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.251 -0.879 6.136 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.190 -0.489 7.110 1.00 0.00 C ATOM 0 H ILE A 37 5.934 -1.337 9.901 1.00 0.00 H new ATOM 0 HA ILE A 37 5.146 -2.821 7.524 1.00 0.00 H new ATOM 0 HB ILE A 37 7.517 -2.530 6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.504 -0.040 8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.350 -1.509 8.785 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.975 -0.414 5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.563 -1.494 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.691 -0.104 6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.871 0.092 7.732 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.709 -1.368 6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.850 0.123 6.274 1.00 0.00 H new ATOM 309 N GLY A 38 7.162 -4.530 8.092 1.00 0.00 N ATOM 310 CA GLY A 38 7.846 -5.660 8.694 1.00 0.00 C ATOM 311 C GLY A 38 8.557 -6.520 7.669 1.00 0.00 C ATOM 312 O GLY A 38 7.967 -6.917 6.666 1.00 0.00 O ATOM 0 H GLY A 38 7.097 -4.561 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.570 -5.296 9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.125 -6.270 9.238 1.00 0.00 H new ATOM 316 N GLY A 39 9.830 -6.810 7.923 1.00 0.00 N ATOM 317 CA GLY A 39 10.600 -7.627 7.006 1.00 0.00 C ATOM 318 C GLY A 39 11.937 -8.046 7.586 1.00 0.00 C ATOM 319 O GLY A 39 12.369 -7.520 8.612 1.00 0.00 O ATOM 0 H GLY A 39 10.340 -6.493 8.747 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.025 -8.516 6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.766 -7.073 6.082 1.00 0.00 H new ATOM 323 N GLY A 40 12.595 -8.993 6.924 1.00 0.00 N ATOM 324 CA GLY A 40 13.885 -9.466 7.393 1.00 0.00 C ATOM 325 C GLY A 40 15.001 -9.175 6.409 1.00 0.00 C ATOM 326 O GLY A 40 15.136 -8.048 5.931 1.00 0.00 O ATOM 0 H GLY A 40 12.258 -9.441 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.116 -8.996 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.832 -10.540 7.571 1.00 0.00 H new ATOM 330 N ALA A 41 15.801 -10.192 6.108 1.00 0.00 N ATOM 331 CA ALA A 41 16.911 -10.041 5.173 1.00 0.00 C ATOM 332 C ALA A 41 17.605 -11.375 4.924 1.00 0.00 C ATOM 333 O ALA A 41 17.689 -11.839 3.788 1.00 0.00 O ATOM 334 CB ALA A 41 17.905 -9.015 5.698 1.00 0.00 C ATOM 0 H ALA A 41 15.702 -11.130 6.497 1.00 0.00 H new ATOM 0 HA ALA A 41 16.509 -9.689 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 41 18.728 -8.911 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 41 17.406 -8.053 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 41 18.293 -9.345 6.662 1.00 0.00 H new ATOM 340 N GLN A 42 18.101 -11.986 5.996 1.00 0.00 N ATOM 341 CA GLN A 42 18.789 -13.268 5.893 1.00 0.00 C ATOM 342 C GLN A 42 17.796 -14.405 5.675 1.00 0.00 C ATOM 343 O GLN A 42 18.118 -15.408 5.038 1.00 0.00 O ATOM 344 CB GLN A 42 19.615 -13.530 7.154 1.00 0.00 C ATOM 345 CG GLN A 42 20.888 -14.317 6.895 1.00 0.00 C ATOM 346 CD GLN A 42 22.105 -13.694 7.554 1.00 0.00 C ATOM 347 OE1 GLN A 42 22.336 -12.491 7.443 1.00 0.00 O ATOM 348 NE2 GLN A 42 22.890 -14.516 8.242 1.00 0.00 N ATOM 0 H GLN A 42 18.039 -11.615 6.944 1.00 0.00 H new ATOM 0 HA GLN A 42 19.456 -13.225 5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.875 -12.576 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 42 19.002 -14.073 7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 42 20.762 -15.335 7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 42 21.056 -14.385 5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 42 22.658 -15.507 8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.724 -14.156 8.705 1.00 0.00 H new ATOM 357 N TYR A 43 16.590 -14.243 6.207 1.00 0.00 N ATOM 358 CA TYR A 43 15.551 -15.257 6.070 1.00 0.00 C ATOM 359 C TYR A 43 14.374 -14.729 5.258 1.00 0.00 C ATOM 360 O TYR A 43 13.789 -15.452 4.451 1.00 0.00 O ATOM 361 CB TYR A 43 15.070 -15.715 7.448 1.00 0.00 C ATOM 362 CG TYR A 43 16.162 -16.319 8.302 1.00 0.00 C ATOM 363 CD1 TYR A 43 17.035 -17.264 7.779 1.00 0.00 C ATOM 364 CD2 TYR A 43 16.320 -15.945 9.631 1.00 0.00 C ATOM 365 CE1 TYR A 43 18.035 -17.820 8.556 1.00 0.00 C ATOM 366 CE2 TYR A 43 17.316 -16.497 10.414 1.00 0.00 C ATOM 367 CZ TYR A 43 18.170 -17.433 9.872 1.00 0.00 C ATOM 368 OH TYR A 43 19.163 -17.983 10.649 1.00 0.00 O ATOM 0 H TYR A 43 16.307 -13.419 6.737 1.00 0.00 H new ATOM 0 HA TYR A 43 15.980 -16.108 5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 43 14.638 -14.864 7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 43 14.273 -16.448 7.320 1.00 0.00 H new ATOM 0 HD1 TYR A 43 16.931 -17.570 6.748 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.653 -15.211 10.059 1.00 0.00 H new ATOM 0 HE1 TYR A 43 18.706 -18.553 8.134 1.00 0.00 H new ATOM 0 HE2 TYR A 43 17.425 -16.196 11.446 1.00 0.00 H new ATOM 0 HH TYR A 43 19.122 -17.602 11.551 1.00 0.00 H new ATOM 378 N CYS A 44 14.030 -13.465 5.477 1.00 0.00 N ATOM 379 CA CYS A 44 12.920 -12.840 4.764 1.00 0.00 C ATOM 380 C CYS A 44 13.330 -11.482 4.199 1.00 0.00 C ATOM 381 O CYS A 44 13.144 -10.449 4.843 1.00 0.00 O ATOM 382 CB CYS A 44 11.716 -12.678 5.694 1.00 0.00 C ATOM 383 SG CYS A 44 10.134 -13.116 4.935 1.00 0.00 S ATOM 0 H CYS A 44 14.503 -12.853 6.142 1.00 0.00 H new ATOM 0 HA CYS A 44 12.643 -13.489 3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.867 -13.298 6.578 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.670 -11.644 6.034 1.00 0.00 H new ATOM 0 HG CYS A 44 9.177 -12.949 5.799 1.00 0.00 H new ATOM 389 N PRO A 45 13.895 -11.465 2.980 1.00 0.00 N ATOM 390 CA PRO A 45 14.331 -10.225 2.328 1.00 0.00 C ATOM 391 C PRO A 45 13.156 -9.363 1.879 1.00 0.00 C ATOM 392 O PRO A 45 13.271 -8.140 1.787 1.00 0.00 O ATOM 393 CB PRO A 45 15.125 -10.720 1.118 1.00 0.00 C ATOM 394 CG PRO A 45 14.554 -12.061 0.816 1.00 0.00 C ATOM 395 CD PRO A 45 14.154 -12.651 2.141 1.00 0.00 C ATOM 0 HA PRO A 45 14.907 -9.591 3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.018 -10.044 0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.190 -10.784 1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.695 -11.978 0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.286 -12.692 0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.268 -13.280 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.945 -13.274 2.559 1.00 0.00 H new ATOM 403 N CYS A 46 12.029 -10.008 1.597 1.00 0.00 N ATOM 404 CA CYS A 46 10.834 -9.299 1.156 1.00 0.00 C ATOM 405 C CYS A 46 10.250 -8.455 2.285 1.00 0.00 C ATOM 406 O CYS A 46 10.123 -8.918 3.418 1.00 0.00 O ATOM 407 CB CYS A 46 9.784 -10.293 0.653 1.00 0.00 C ATOM 408 SG CYS A 46 8.357 -9.519 -0.143 1.00 0.00 S ATOM 0 H CYS A 46 11.918 -11.020 1.666 1.00 0.00 H new ATOM 0 HA CYS A 46 11.118 -8.634 0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.255 -10.976 -0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.436 -10.894 1.493 1.00 0.00 H new ATOM 0 HG CYS A 46 7.284 -9.775 0.545 1.00 0.00 H new ATOM 414 N LEU A 47 9.898 -7.214 1.966 1.00 0.00 N ATOM 415 CA LEU A 47 9.327 -6.305 2.952 1.00 0.00 C ATOM 416 C LEU A 47 7.821 -6.161 2.750 1.00 0.00 C ATOM 417 O LEU A 47 7.349 -6.006 1.623 1.00 0.00 O ATOM 418 CB LEU A 47 10.002 -4.933 2.864 1.00 0.00 C ATOM 419 CG LEU A 47 10.998 -4.629 3.985 1.00 0.00 C ATOM 420 CD1 LEU A 47 10.278 -4.509 5.319 1.00 0.00 C ATOM 421 CD2 LEU A 47 12.072 -5.704 4.050 1.00 0.00 C ATOM 0 H LEU A 47 9.998 -6.815 1.033 1.00 0.00 H new ATOM 0 HA LEU A 47 9.503 -6.724 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.521 -4.861 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.230 -4.164 2.866 1.00 0.00 H new ATOM 0 HG LEU A 47 11.480 -3.676 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.002 -4.293 6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.547 -3.702 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.768 -5.446 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.772 -5.471 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.608 -6.671 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.608 -5.741 3.101 1.00 0.00 H new ATOM 433 N TYR A 48 7.073 -6.214 3.847 1.00 0.00 N ATOM 434 CA TYR A 48 5.620 -6.091 3.787 1.00 0.00 C ATOM 435 C TYR A 48 5.138 -4.908 4.620 1.00 0.00 C ATOM 436 O TYR A 48 5.851 -4.421 5.498 1.00 0.00 O ATOM 437 CB TYR A 48 4.958 -7.380 4.281 1.00 0.00 C ATOM 438 CG TYR A 48 4.825 -8.441 3.213 1.00 0.00 C ATOM 439 CD1 TYR A 48 3.757 -8.429 2.325 1.00 0.00 C ATOM 440 CD2 TYR A 48 5.768 -9.453 3.092 1.00 0.00 C ATOM 441 CE1 TYR A 48 3.631 -9.398 1.347 1.00 0.00 C ATOM 442 CE2 TYR A 48 5.651 -10.425 2.117 1.00 0.00 C ATOM 443 CZ TYR A 48 4.581 -10.394 1.247 1.00 0.00 C ATOM 444 OH TYR A 48 4.460 -11.360 0.275 1.00 0.00 O ATOM 0 H TYR A 48 7.448 -6.341 4.787 1.00 0.00 H new ATOM 0 HA TYR A 48 5.338 -5.919 2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.540 -7.782 5.110 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.968 -7.143 4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.013 -7.650 2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.607 -9.481 3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.794 -9.376 0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.394 -11.205 2.036 1.00 0.00 H new ATOM 0 HH TYR A 48 5.211 -11.986 0.340 1.00 0.00 H new ATOM 454 N ILE A 49 3.923 -4.452 4.338 1.00 0.00 N ATOM 455 CA ILE A 49 3.341 -3.327 5.059 1.00 0.00 C ATOM 456 C ILE A 49 2.307 -3.803 6.075 1.00 0.00 C ATOM 457 O ILE A 49 1.446 -4.623 5.761 1.00 0.00 O ATOM 458 CB ILE A 49 2.673 -2.326 4.095 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.648 -1.929 2.984 1.00 0.00 C ATOM 460 CG2 ILE A 49 2.193 -1.097 4.852 1.00 0.00 C ATOM 461 CD1 ILE A 49 3.074 -0.933 2.002 1.00 0.00 C ATOM 0 H ILE A 49 3.321 -4.845 3.614 1.00 0.00 H new ATOM 0 HA ILE A 49 4.158 -2.828 5.580 1.00 0.00 H new ATOM 0 HB ILE A 49 1.807 -2.806 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.546 -1.506 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.954 -2.825 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.724 -0.401 4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.469 -1.396 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.042 -0.612 5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.821 -0.698 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.193 -1.360 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.794 -0.021 2.530 1.00 0.00 H new ATOM 473 N VAL A 50 2.400 -3.282 7.294 1.00 0.00 N ATOM 474 CA VAL A 50 1.474 -3.649 8.356 1.00 0.00 C ATOM 475 C VAL A 50 0.375 -2.602 8.508 1.00 0.00 C ATOM 476 O VAL A 50 0.514 -1.471 8.039 1.00 0.00 O ATOM 477 CB VAL A 50 2.200 -3.815 9.705 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.280 -4.449 10.737 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.466 -4.642 9.532 1.00 0.00 C ATOM 0 H VAL A 50 3.109 -2.603 7.570 1.00 0.00 H new ATOM 0 HA VAL A 50 1.030 -4.603 8.074 1.00 0.00 H new ATOM 0 HB VAL A 50 2.483 -2.826 10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.813 -4.557 11.682 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.406 -3.815 10.884 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.961 -5.430 10.386 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.965 -4.749 10.495 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.207 -5.628 9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.134 -4.142 8.830 1.00 0.00 H new ATOM 489 N GLN A 51 -0.720 -2.984 9.162 1.00 0.00 N ATOM 490 CA GLN A 51 -1.848 -2.080 9.374 1.00 0.00 C ATOM 491 C GLN A 51 -1.378 -0.710 9.860 1.00 0.00 C ATOM 492 O GLN A 51 -0.557 -0.611 10.771 1.00 0.00 O ATOM 493 CB GLN A 51 -2.824 -2.682 10.388 1.00 0.00 C ATOM 494 CG GLN A 51 -2.237 -2.832 11.782 1.00 0.00 C ATOM 495 CD GLN A 51 -3.063 -3.747 12.666 1.00 0.00 C ATOM 496 OE1 GLN A 51 -4.119 -3.359 13.165 1.00 0.00 O ATOM 497 NE2 GLN A 51 -2.583 -4.968 12.866 1.00 0.00 N ATOM 0 H GLN A 51 -0.850 -3.916 9.555 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.354 -1.948 8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.712 -2.053 10.443 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.148 -3.660 10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.223 -3.225 11.705 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.164 -1.850 12.249 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.703 -5.247 12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.094 -5.627 13.453 1.00 0.00 H new ATOM 506 N VAL A 52 -1.907 0.344 9.246 1.00 0.00 N ATOM 507 CA VAL A 52 -1.544 1.706 9.617 1.00 0.00 C ATOM 508 C VAL A 52 -2.289 2.148 10.870 1.00 0.00 C ATOM 509 O VAL A 52 -3.047 1.376 11.459 1.00 0.00 O ATOM 510 CB VAL A 52 -1.839 2.703 8.477 1.00 0.00 C ATOM 511 CG1 VAL A 52 -1.072 2.324 7.220 1.00 0.00 C ATOM 512 CG2 VAL A 52 -3.332 2.774 8.195 1.00 0.00 C ATOM 0 H VAL A 52 -2.588 0.280 8.490 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.472 1.704 9.814 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.506 3.691 8.795 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.294 3.040 6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.002 2.335 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.369 1.325 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.517 3.483 7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.694 1.789 7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.857 3.102 9.093 1.00 0.00 H new ATOM 522 N PHE A 53 -2.076 3.396 11.269 1.00 0.00 N ATOM 523 CA PHE A 53 -2.734 3.943 12.449 1.00 0.00 C ATOM 524 C PHE A 53 -3.744 5.014 12.052 1.00 0.00 C ATOM 525 O PHE A 53 -3.542 5.740 11.080 1.00 0.00 O ATOM 526 CB PHE A 53 -1.699 4.524 13.413 1.00 0.00 C ATOM 527 CG PHE A 53 -1.001 3.479 14.236 1.00 0.00 C ATOM 528 CD1 PHE A 53 -1.528 3.067 15.449 1.00 0.00 C ATOM 529 CD2 PHE A 53 0.181 2.906 13.792 1.00 0.00 C ATOM 530 CE1 PHE A 53 -0.890 2.101 16.205 1.00 0.00 C ATOM 531 CE2 PHE A 53 0.823 1.941 14.545 1.00 0.00 C ATOM 532 CZ PHE A 53 0.287 1.538 15.753 1.00 0.00 C ATOM 0 H PHE A 53 -1.453 4.048 10.793 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.266 3.135 12.951 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.957 5.084 12.844 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.191 5.233 14.079 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.447 3.505 15.808 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.604 3.217 12.848 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.312 1.787 17.148 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.743 1.502 14.189 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.788 0.784 16.343 1.00 0.00 H new ATOM 542 N ASP A 54 -4.833 5.102 12.803 1.00 0.00 N ATOM 543 CA ASP A 54 -5.876 6.081 12.523 1.00 0.00 C ATOM 544 C ASP A 54 -5.335 7.504 12.626 1.00 0.00 C ATOM 545 O ASP A 54 -4.279 7.738 13.215 1.00 0.00 O ATOM 546 CB ASP A 54 -7.048 5.898 13.489 1.00 0.00 C ATOM 547 CG ASP A 54 -7.937 4.732 13.104 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.394 4.692 11.943 1.00 0.00 O ATOM 549 OD2 ASP A 54 -8.175 3.857 13.965 1.00 0.00 O ATOM 0 H ASP A 54 -5.018 4.508 13.611 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.224 5.919 11.503 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.664 5.741 14.497 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.642 6.812 13.513 1.00 0.00 H new ATOM 554 N ASN A 55 -6.073 8.450 12.053 1.00 0.00 N ATOM 555 CA ASN A 55 -5.686 9.856 12.078 1.00 0.00 C ATOM 556 C ASN A 55 -4.384 10.100 11.317 1.00 0.00 C ATOM 557 O ASN A 55 -3.737 11.132 11.499 1.00 0.00 O ATOM 558 CB ASN A 55 -5.545 10.346 13.520 1.00 0.00 C ATOM 559 CG ASN A 55 -6.877 10.408 14.242 1.00 0.00 C ATOM 560 OD1 ASN A 55 -7.423 11.487 14.469 1.00 0.00 O ATOM 561 ND2 ASN A 55 -7.406 9.246 14.609 1.00 0.00 N ATOM 0 H ASN A 55 -6.948 8.266 11.563 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.476 10.419 11.581 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.871 9.682 14.062 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.087 11.335 13.522 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.300 9.225 15.100 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.918 8.375 14.400 1.00 0.00 H new ATOM 568 N THR A 56 -4.001 9.156 10.459 1.00 0.00 N ATOM 569 CA THR A 56 -2.778 9.297 9.676 1.00 0.00 C ATOM 570 C THR A 56 -3.103 9.581 8.213 1.00 0.00 C ATOM 571 O THR A 56 -4.133 9.139 7.702 1.00 0.00 O ATOM 572 CB THR A 56 -1.922 8.034 9.782 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.573 6.933 9.172 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.597 7.647 11.208 1.00 0.00 C ATOM 0 H THR A 56 -4.516 8.292 10.290 1.00 0.00 H new ATOM 0 HA THR A 56 -2.216 10.139 10.080 1.00 0.00 H new ATOM 0 HB THR A 56 -0.991 8.274 9.269 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.605 6.182 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.988 6.743 11.210 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.047 8.456 11.688 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.522 7.462 11.755 1.00 0.00 H new ATOM 582 N PRO A 57 -2.230 10.325 7.515 1.00 0.00 N ATOM 583 CA PRO A 57 -2.432 10.664 6.104 1.00 0.00 C ATOM 584 C PRO A 57 -2.517 9.423 5.221 1.00 0.00 C ATOM 585 O PRO A 57 -3.160 9.438 4.172 1.00 0.00 O ATOM 586 CB PRO A 57 -1.194 11.495 5.743 1.00 0.00 C ATOM 587 CG PRO A 57 -0.189 11.178 6.799 1.00 0.00 C ATOM 588 CD PRO A 57 -0.977 10.891 8.043 1.00 0.00 C ATOM 0 HA PRO A 57 -3.371 11.195 5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.820 11.235 4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.426 12.560 5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.419 10.319 6.515 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.493 12.014 6.953 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.460 10.188 8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.156 11.795 8.626 1.00 0.00 H new ATOM 596 N ALA A 58 -1.864 8.348 5.655 1.00 0.00 N ATOM 597 CA ALA A 58 -1.867 7.099 4.904 1.00 0.00 C ATOM 598 C ALA A 58 -3.130 6.293 5.184 1.00 0.00 C ATOM 599 O ALA A 58 -3.634 5.588 4.311 1.00 0.00 O ATOM 600 CB ALA A 58 -0.630 6.280 5.243 1.00 0.00 C ATOM 0 H ALA A 58 -1.327 8.318 6.522 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.851 7.341 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.643 5.349 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.264 6.848 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.624 6.055 6.310 1.00 0.00 H new ATOM 606 N ALA A 59 -3.638 6.402 6.407 1.00 0.00 N ATOM 607 CA ALA A 59 -4.844 5.684 6.803 1.00 0.00 C ATOM 608 C ALA A 59 -6.098 6.451 6.399 1.00 0.00 C ATOM 609 O ALA A 59 -7.147 5.857 6.147 1.00 0.00 O ATOM 610 CB ALA A 59 -4.839 5.429 8.303 1.00 0.00 C ATOM 0 H ALA A 59 -3.233 6.982 7.142 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.853 4.726 6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.745 4.892 8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.967 4.831 8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.802 6.380 8.834 1.00 0.00 H new ATOM 616 N LEU A 60 -5.985 7.773 6.341 1.00 0.00 N ATOM 617 CA LEU A 60 -7.110 8.623 5.969 1.00 0.00 C ATOM 618 C LEU A 60 -7.270 8.678 4.452 1.00 0.00 C ATOM 619 O LEU A 60 -8.383 8.592 3.932 1.00 0.00 O ATOM 620 CB LEU A 60 -6.917 10.035 6.526 1.00 0.00 C ATOM 621 CG LEU A 60 -6.942 10.136 8.052 1.00 0.00 C ATOM 622 CD1 LEU A 60 -6.570 11.542 8.500 1.00 0.00 C ATOM 623 CD2 LEU A 60 -8.311 9.749 8.589 1.00 0.00 C ATOM 0 H LEU A 60 -5.124 8.280 6.547 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.016 8.193 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.964 10.424 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.698 10.679 6.121 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.205 9.441 8.455 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.593 11.595 9.588 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.568 11.783 8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.282 12.256 8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.311 9.827 9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.066 10.419 8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.539 8.723 8.299 1.00 0.00 H new ATOM 635 N ASP A 61 -6.152 8.821 3.748 1.00 0.00 N ATOM 636 CA ASP A 61 -6.169 8.885 2.292 1.00 0.00 C ATOM 637 C ASP A 61 -6.592 7.548 1.694 1.00 0.00 C ATOM 638 O ASP A 61 -7.194 7.500 0.620 1.00 0.00 O ATOM 639 CB ASP A 61 -4.790 9.281 1.761 1.00 0.00 C ATOM 640 CG ASP A 61 -4.476 10.744 2.002 1.00 0.00 C ATOM 641 OD1 ASP A 61 -5.100 11.345 2.900 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.606 11.290 1.290 1.00 0.00 O ATOM 0 H ASP A 61 -5.223 8.895 4.163 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.895 9.642 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.029 8.665 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.742 9.073 0.692 1.00 0.00 H new ATOM 647 N GLY A 62 -6.274 6.464 2.393 1.00 0.00 N ATOM 648 CA GLY A 62 -6.629 5.141 1.915 1.00 0.00 C ATOM 649 C GLY A 62 -5.850 4.743 0.677 1.00 0.00 C ATOM 650 O GLY A 62 -6.420 4.589 -0.402 1.00 0.00 O ATOM 0 H GLY A 62 -5.776 6.478 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.447 4.412 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.696 5.112 1.694 1.00 0.00 H new ATOM 654 N THR A 63 -4.540 4.577 0.835 1.00 0.00 N ATOM 655 CA THR A 63 -3.679 4.195 -0.278 1.00 0.00 C ATOM 656 C THR A 63 -2.767 3.038 0.111 1.00 0.00 C ATOM 657 O THR A 63 -2.621 2.070 -0.636 1.00 0.00 O ATOM 658 CB THR A 63 -2.837 5.389 -0.732 1.00 0.00 C ATOM 659 OG1 THR A 63 -2.090 5.067 -1.892 1.00 0.00 O ATOM 660 CG2 THR A 63 -1.862 5.870 0.322 1.00 0.00 C ATOM 0 H THR A 63 -4.053 4.701 1.722 1.00 0.00 H new ATOM 0 HA THR A 63 -4.316 3.872 -1.101 1.00 0.00 H new ATOM 0 HB THR A 63 -3.554 6.185 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.234 4.125 -2.123 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.297 6.718 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.411 6.176 1.213 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.175 5.063 0.578 1.00 0.00 H new ATOM 668 N VAL A 64 -2.153 3.145 1.285 1.00 0.00 N ATOM 669 CA VAL A 64 -1.252 2.110 1.774 1.00 0.00 C ATOM 670 C VAL A 64 -1.721 1.560 3.116 1.00 0.00 C ATOM 671 O VAL A 64 -2.198 2.306 3.971 1.00 0.00 O ATOM 672 CB VAL A 64 0.183 2.650 1.925 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.814 2.878 0.560 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.188 3.932 2.742 1.00 0.00 C ATOM 0 H VAL A 64 -2.264 3.939 1.915 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.258 1.307 1.037 1.00 0.00 H new ATOM 0 HB VAL A 64 0.777 1.906 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.827 3.259 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.847 1.936 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.221 3.602 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.210 4.298 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.422 4.684 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.221 3.734 3.733 1.00 0.00 H new ATOM 684 N ALA A 65 -1.581 0.251 3.294 1.00 0.00 N ATOM 685 CA ALA A 65 -1.990 -0.400 4.531 1.00 0.00 C ATOM 686 C ALA A 65 -1.605 -1.875 4.526 1.00 0.00 C ATOM 687 O ALA A 65 -0.880 -2.333 3.644 1.00 0.00 O ATOM 688 CB ALA A 65 -3.488 -0.245 4.741 1.00 0.00 C ATOM 0 H ALA A 65 -1.187 -0.380 2.596 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.468 0.084 5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.778 -0.737 5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.740 0.814 4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.021 -0.701 3.907 1.00 0.00 H new ATOM 694 N ALA A 66 -2.094 -2.613 5.517 1.00 0.00 N ATOM 695 CA ALA A 66 -1.800 -4.037 5.624 1.00 0.00 C ATOM 696 C ALA A 66 -2.388 -4.809 4.448 1.00 0.00 C ATOM 697 O ALA A 66 -3.602 -5.002 4.365 1.00 0.00 O ATOM 698 CB ALA A 66 -2.331 -4.588 6.939 1.00 0.00 C ATOM 0 H ALA A 66 -2.695 -2.249 6.257 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.717 -4.162 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.105 -5.652 7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.859 -4.064 7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.410 -4.443 6.985 1.00 0.00 H new ATOM 704 N GLY A 67 -1.521 -5.245 3.541 1.00 0.00 N ATOM 705 CA GLY A 67 -1.973 -5.989 2.380 1.00 0.00 C ATOM 706 C GLY A 67 -1.138 -5.701 1.149 1.00 0.00 C ATOM 707 O GLY A 67 -0.991 -6.556 0.275 1.00 0.00 O ATOM 0 H GLY A 67 -0.513 -5.097 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.937 -7.056 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.014 -5.741 2.176 1.00 0.00 H new ATOM 711 N ASP A 68 -0.589 -4.492 1.077 1.00 0.00 N ATOM 712 CA ASP A 68 0.236 -4.091 -0.055 1.00 0.00 C ATOM 713 C ASP A 68 1.695 -4.469 0.175 1.00 0.00 C ATOM 714 O ASP A 68 2.106 -4.740 1.304 1.00 0.00 O ATOM 715 CB ASP A 68 0.117 -2.584 -0.292 1.00 0.00 C ATOM 716 CG ASP A 68 -1.324 -2.125 -0.388 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.044 -2.612 -1.285 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.734 -1.279 0.435 1.00 0.00 O ATOM 0 H ASP A 68 -0.702 -3.773 1.791 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.122 -4.619 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.612 -2.051 0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.641 -2.321 -1.211 1.00 0.00 H new ATOM 723 N GLU A 69 2.475 -4.485 -0.901 1.00 0.00 N ATOM 724 CA GLU A 69 3.889 -4.828 -0.815 1.00 0.00 C ATOM 725 C GLU A 69 4.761 -3.671 -1.291 1.00 0.00 C ATOM 726 O GLU A 69 4.842 -3.391 -2.486 1.00 0.00 O ATOM 727 CB GLU A 69 4.183 -6.078 -1.648 1.00 0.00 C ATOM 728 CG GLU A 69 5.558 -6.671 -1.387 1.00 0.00 C ATOM 729 CD GLU A 69 6.012 -7.599 -2.499 1.00 0.00 C ATOM 730 OE1 GLU A 69 5.963 -7.182 -3.676 1.00 0.00 O ATOM 731 OE2 GLU A 69 6.416 -8.740 -2.194 1.00 0.00 O ATOM 0 H GLU A 69 2.151 -4.264 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 69 4.124 -5.030 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.425 -6.832 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.099 -5.828 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.282 -5.864 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.541 -7.219 -0.445 1.00 0.00 H new ATOM 738 N ILE A 70 5.413 -3.002 -0.345 1.00 0.00 N ATOM 739 CA ILE A 70 6.281 -1.876 -0.667 1.00 0.00 C ATOM 740 C ILE A 70 7.543 -2.343 -1.385 1.00 0.00 C ATOM 741 O ILE A 70 8.071 -3.416 -1.097 1.00 0.00 O ATOM 742 CB ILE A 70 6.678 -1.091 0.601 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.517 0.134 0.234 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.435 -1.991 1.569 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.929 0.965 1.429 1.00 0.00 C ATOM 0 H ILE A 70 5.356 -3.220 0.650 1.00 0.00 H new ATOM 0 HA ILE A 70 5.716 -1.218 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 70 5.768 -0.746 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.411 -0.194 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.950 0.760 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.707 -1.422 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.802 -2.831 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.338 -2.366 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.521 1.816 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.039 1.323 1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.524 0.355 2.109 1.00 0.00 H new ATOM 757 N THR A 71 8.020 -1.531 -2.322 1.00 0.00 N ATOM 758 CA THR A 71 9.221 -1.862 -3.081 1.00 0.00 C ATOM 759 C THR A 71 9.850 -0.610 -3.683 1.00 0.00 C ATOM 760 O THR A 71 10.444 -0.657 -4.758 1.00 0.00 O ATOM 761 CB THR A 71 8.888 -2.861 -4.190 1.00 0.00 C ATOM 762 OG1 THR A 71 10.035 -3.144 -4.971 1.00 0.00 O ATOM 763 CG2 THR A 71 7.806 -2.374 -5.129 1.00 0.00 C ATOM 0 H THR A 71 7.594 -0.639 -2.574 1.00 0.00 H new ATOM 0 HA THR A 71 9.939 -2.313 -2.396 1.00 0.00 H new ATOM 0 HB THR A 71 8.529 -3.753 -3.676 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.418 -2.306 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.619 -3.130 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.891 -2.192 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.128 -1.449 -5.607 1.00 0.00 H new ATOM 771 N GLY A 72 9.716 0.511 -2.980 1.00 0.00 N ATOM 772 CA GLY A 72 10.278 1.758 -3.463 1.00 0.00 C ATOM 773 C GLY A 72 9.862 2.949 -2.621 1.00 0.00 C ATOM 774 O GLY A 72 8.755 2.982 -2.084 1.00 0.00 O ATOM 0 H GLY A 72 9.229 0.577 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.365 1.684 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.964 1.919 -4.494 1.00 0.00 H new ATOM 778 N VAL A 73 10.750 3.931 -2.510 1.00 0.00 N ATOM 779 CA VAL A 73 10.472 5.131 -1.731 1.00 0.00 C ATOM 780 C VAL A 73 11.170 6.347 -2.332 1.00 0.00 C ATOM 781 O VAL A 73 12.395 6.463 -2.273 1.00 0.00 O ATOM 782 CB VAL A 73 10.919 4.970 -0.267 1.00 0.00 C ATOM 783 CG1 VAL A 73 10.462 6.156 0.568 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.393 3.666 0.314 1.00 0.00 C ATOM 0 H VAL A 73 11.670 3.919 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 73 9.393 5.281 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 73 12.008 4.938 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.788 6.022 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.895 7.072 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.375 6.225 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.720 3.571 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.304 3.664 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.778 2.828 -0.266 1.00 0.00 H new ATOM 794 N ASN A 74 10.384 7.252 -2.905 1.00 0.00 N ATOM 795 CA ASN A 74 10.929 8.460 -3.517 1.00 0.00 C ATOM 796 C ASN A 74 11.863 8.114 -4.671 1.00 0.00 C ATOM 797 O ASN A 74 12.793 8.862 -4.976 1.00 0.00 O ATOM 798 CB ASN A 74 11.673 9.292 -2.469 1.00 0.00 C ATOM 799 CG ASN A 74 11.197 10.731 -2.424 1.00 0.00 C ATOM 800 OD1 ASN A 74 10.227 11.098 -3.088 1.00 0.00 O ATOM 801 ND2 ASN A 74 11.880 11.555 -1.639 1.00 0.00 N ATOM 0 H ASN A 74 9.369 7.173 -2.959 1.00 0.00 H new ATOM 0 HA ASN A 74 10.099 9.045 -3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.539 8.838 -1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.741 9.273 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.607 12.535 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.678 11.208 -1.106 1.00 0.00 H new ATOM 808 N GLY A 75 11.612 6.977 -5.312 1.00 0.00 N ATOM 809 CA GLY A 75 12.443 6.556 -6.426 1.00 0.00 C ATOM 810 C GLY A 75 13.494 5.543 -6.020 1.00 0.00 C ATOM 811 O GLY A 75 13.931 4.730 -6.834 1.00 0.00 O ATOM 0 H GLY A 75 10.849 6.340 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.811 6.127 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.933 7.428 -6.859 1.00 0.00 H new ATOM 815 N ARG A 76 13.904 5.592 -4.755 1.00 0.00 N ATOM 816 CA ARG A 76 14.914 4.672 -4.244 1.00 0.00 C ATOM 817 C ARG A 76 14.376 3.244 -4.202 1.00 0.00 C ATOM 818 O ARG A 76 13.165 3.025 -4.184 1.00 0.00 O ATOM 819 CB ARG A 76 15.366 5.104 -2.846 1.00 0.00 C ATOM 820 CG ARG A 76 16.769 5.688 -2.815 1.00 0.00 C ATOM 821 CD ARG A 76 17.583 5.131 -1.656 1.00 0.00 C ATOM 822 NE ARG A 76 18.590 4.174 -2.103 1.00 0.00 N ATOM 823 CZ ARG A 76 19.758 4.523 -2.639 1.00 0.00 C ATOM 824 NH1 ARG A 76 20.068 5.803 -2.798 1.00 0.00 N ATOM 825 NH2 ARG A 76 20.617 3.587 -3.018 1.00 0.00 N ATOM 0 H ARG A 76 13.553 6.258 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 76 15.770 4.698 -4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.665 5.843 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.324 4.244 -2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.276 5.468 -3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.710 6.773 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 76 18.071 5.951 -1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.915 4.647 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 76 18.387 3.180 -1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 76 19.410 6.527 -2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.964 6.063 -3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.383 2.601 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.512 3.852 -3.429 1.00 0.00 H new ATOM 839 N SER A 77 15.287 2.275 -4.186 1.00 0.00 N ATOM 840 CA SER A 77 14.906 0.868 -4.146 1.00 0.00 C ATOM 841 C SER A 77 15.043 0.309 -2.733 1.00 0.00 C ATOM 842 O SER A 77 16.127 0.325 -2.151 1.00 0.00 O ATOM 843 CB SER A 77 15.768 0.056 -5.114 1.00 0.00 C ATOM 844 OG SER A 77 16.029 0.786 -6.301 1.00 0.00 O ATOM 0 H SER A 77 16.294 2.439 -4.200 1.00 0.00 H new ATOM 0 HA SER A 77 13.862 0.791 -4.449 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.709 -0.210 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.262 -0.877 -5.361 1.00 0.00 H new ATOM 0 HG SER A 77 16.583 0.246 -6.902 1.00 0.00 H new ATOM 850 N ILE A 78 13.936 -0.184 -2.188 1.00 0.00 N ATOM 851 CA ILE A 78 13.931 -0.749 -0.842 1.00 0.00 C ATOM 852 C ILE A 78 14.007 -2.274 -0.873 1.00 0.00 C ATOM 853 O ILE A 78 14.232 -2.911 0.157 1.00 0.00 O ATOM 854 CB ILE A 78 12.675 -0.322 -0.058 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.410 -0.839 -0.749 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.629 1.193 0.082 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.813 -2.059 -0.082 1.00 0.00 C ATOM 0 H ILE A 78 13.030 -0.204 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 78 14.816 -0.361 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 78 12.722 -0.759 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.665 -0.044 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.645 -1.080 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.736 1.480 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.515 1.536 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.602 1.649 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.920 -2.370 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.542 -2.870 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.547 -1.817 0.947 1.00 0.00 H new ATOM 869 N LYS A 79 13.821 -2.857 -2.055 1.00 0.00 N ATOM 870 CA LYS A 79 13.871 -4.309 -2.209 1.00 0.00 C ATOM 871 C LYS A 79 15.169 -4.878 -1.642 1.00 0.00 C ATOM 872 O LYS A 79 15.211 -6.023 -1.193 1.00 0.00 O ATOM 873 CB LYS A 79 13.736 -4.690 -3.684 1.00 0.00 C ATOM 874 CG LYS A 79 12.296 -4.786 -4.161 1.00 0.00 C ATOM 875 CD LYS A 79 12.021 -6.111 -4.851 1.00 0.00 C ATOM 876 CE LYS A 79 10.641 -6.647 -4.502 1.00 0.00 C ATOM 877 NZ LYS A 79 9.965 -7.254 -5.680 1.00 0.00 N ATOM 0 H LYS A 79 13.635 -2.347 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 79 13.037 -4.735 -1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.262 -3.952 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.229 -5.648 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.623 -4.671 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.085 -3.967 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.100 -5.983 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.779 -6.838 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.731 -7.392 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.026 -5.837 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.028 -7.607 -5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.856 -6.537 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.538 -8.043 -6.041 1.00 0.00 H new ATOM 891 N GLY A 80 16.224 -4.072 -1.667 1.00 0.00 N ATOM 892 CA GLY A 80 17.507 -4.514 -1.153 1.00 0.00 C ATOM 893 C GLY A 80 17.861 -3.856 0.166 1.00 0.00 C ATOM 894 O GLY A 80 19.025 -3.545 0.420 1.00 0.00 O ATOM 0 H GLY A 80 16.214 -3.120 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.489 -5.596 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.284 -4.294 -1.885 1.00 0.00 H new ATOM 898 N LYS A 81 16.854 -3.638 1.008 1.00 0.00 N ATOM 899 CA LYS A 81 17.065 -3.013 2.307 1.00 0.00 C ATOM 900 C LYS A 81 16.215 -3.684 3.380 1.00 0.00 C ATOM 901 O LYS A 81 15.184 -4.288 3.082 1.00 0.00 O ATOM 902 CB LYS A 81 16.732 -1.520 2.239 1.00 0.00 C ATOM 903 CG LYS A 81 17.440 -0.788 1.108 1.00 0.00 C ATOM 904 CD LYS A 81 18.115 0.485 1.595 1.00 0.00 C ATOM 905 CE LYS A 81 17.500 1.723 0.960 1.00 0.00 C ATOM 906 NZ LYS A 81 18.412 2.899 1.033 1.00 0.00 N ATOM 0 H LYS A 81 15.884 -3.886 0.812 1.00 0.00 H new ATOM 0 HA LYS A 81 18.115 -3.134 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.655 -1.402 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.000 -1.053 3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.185 -1.446 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.720 -0.542 0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 81 18.029 0.551 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.179 0.446 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.260 1.515 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.562 1.960 1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.850 3.768 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 19.044 2.798 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 18.979 2.953 0.163 1.00 0.00 H new ATOM 920 N THR A 82 16.656 -3.580 4.630 1.00 0.00 N ATOM 921 CA THR A 82 15.935 -4.177 5.748 1.00 0.00 C ATOM 922 C THR A 82 14.832 -3.248 6.245 1.00 0.00 C ATOM 923 O THR A 82 14.732 -2.100 5.810 1.00 0.00 O ATOM 924 CB THR A 82 16.901 -4.497 6.890 1.00 0.00 C ATOM 925 OG1 THR A 82 18.015 -3.622 6.864 1.00 0.00 O ATOM 926 CG2 THR A 82 17.430 -5.915 6.847 1.00 0.00 C ATOM 0 H THR A 82 17.509 -3.088 4.894 1.00 0.00 H new ATOM 0 HA THR A 82 15.475 -5.101 5.399 1.00 0.00 H new ATOM 0 HB THR A 82 16.320 -4.371 7.804 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.620 -3.841 7.603 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.109 -6.076 7.684 1.00 0.00 H new ATOM 0 HG22 THR A 82 16.598 -6.616 6.915 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.964 -6.076 5.911 1.00 0.00 H new ATOM 934 N LYS A 83 14.008 -3.750 7.158 1.00 0.00 N ATOM 935 CA LYS A 83 12.914 -2.962 7.715 1.00 0.00 C ATOM 936 C LYS A 83 13.447 -1.753 8.475 1.00 0.00 C ATOM 937 O LYS A 83 12.805 -0.703 8.522 1.00 0.00 O ATOM 938 CB LYS A 83 12.057 -3.825 8.643 1.00 0.00 C ATOM 939 CG LYS A 83 12.833 -4.427 9.803 1.00 0.00 C ATOM 940 CD LYS A 83 11.927 -4.717 10.989 1.00 0.00 C ATOM 941 CE LYS A 83 12.603 -4.373 12.308 1.00 0.00 C ATOM 942 NZ LYS A 83 12.805 -5.579 13.160 1.00 0.00 N ATOM 0 H LYS A 83 14.076 -4.698 7.528 1.00 0.00 H new ATOM 0 HA LYS A 83 12.298 -2.607 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.241 -3.220 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.605 -4.629 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.316 -5.349 9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.624 -3.742 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.005 -4.144 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.649 -5.771 10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.566 -3.903 12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.997 -3.645 12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.755 -5.550 13.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.090 -5.594 13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.711 -6.435 12.577 1.00 0.00 H new ATOM 956 N VAL A 84 14.627 -1.906 9.068 1.00 0.00 N ATOM 957 CA VAL A 84 15.247 -0.826 9.824 1.00 0.00 C ATOM 958 C VAL A 84 15.757 0.271 8.896 1.00 0.00 C ATOM 959 O VAL A 84 15.581 1.460 9.167 1.00 0.00 O ATOM 960 CB VAL A 84 16.415 -1.344 10.687 1.00 0.00 C ATOM 961 CG1 VAL A 84 17.511 -1.934 9.812 1.00 0.00 C ATOM 962 CG2 VAL A 84 16.966 -0.233 11.570 1.00 0.00 C ATOM 0 H VAL A 84 15.172 -2.768 9.039 1.00 0.00 H new ATOM 0 HA VAL A 84 14.479 -0.414 10.478 1.00 0.00 H new ATOM 0 HB VAL A 84 16.036 -2.135 11.334 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.325 -2.293 10.441 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.107 -2.764 9.233 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.887 -1.168 9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.789 -0.620 12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.326 0.584 10.945 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.178 0.134 12.228 1.00 0.00 H new ATOM 972 N GLU A 85 16.389 -0.134 7.799 1.00 0.00 N ATOM 973 CA GLU A 85 16.923 0.814 6.830 1.00 0.00 C ATOM 974 C GLU A 85 15.799 1.586 6.149 1.00 0.00 C ATOM 975 O GLU A 85 15.832 2.815 6.075 1.00 0.00 O ATOM 976 CB GLU A 85 17.767 0.085 5.782 1.00 0.00 C ATOM 977 CG GLU A 85 19.234 -0.031 6.158 1.00 0.00 C ATOM 978 CD GLU A 85 19.987 1.273 5.975 1.00 0.00 C ATOM 979 OE1 GLU A 85 19.573 2.082 5.118 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.988 1.486 6.690 1.00 0.00 O ATOM 0 H GLU A 85 16.543 -1.113 7.560 1.00 0.00 H new ATOM 0 HA GLU A 85 17.555 1.524 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.359 -0.914 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.685 0.611 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.315 -0.350 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.701 -0.805 5.549 1.00 0.00 H new ATOM 987 N VAL A 86 14.803 0.858 5.652 1.00 0.00 N ATOM 988 CA VAL A 86 13.668 1.476 4.979 1.00 0.00 C ATOM 989 C VAL A 86 12.937 2.439 5.908 1.00 0.00 C ATOM 990 O VAL A 86 12.568 3.544 5.510 1.00 0.00 O ATOM 991 CB VAL A 86 12.672 0.419 4.467 1.00 0.00 C ATOM 992 CG1 VAL A 86 13.310 -0.439 3.385 1.00 0.00 C ATOM 993 CG2 VAL A 86 12.172 -0.443 5.617 1.00 0.00 C ATOM 0 H VAL A 86 14.760 -0.160 5.703 1.00 0.00 H new ATOM 0 HA VAL A 86 14.068 2.028 4.128 1.00 0.00 H new ATOM 0 HB VAL A 86 11.817 0.934 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.590 -1.180 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.613 0.193 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.185 -0.947 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.469 -1.184 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.016 -0.949 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.672 0.187 6.353 1.00 0.00 H new ATOM 1003 N ALA A 87 12.732 2.012 7.151 1.00 0.00 N ATOM 1004 CA ALA A 87 12.045 2.836 8.139 1.00 0.00 C ATOM 1005 C ALA A 87 12.743 4.180 8.317 1.00 0.00 C ATOM 1006 O ALA A 87 12.105 5.232 8.264 1.00 0.00 O ATOM 1007 CB ALA A 87 11.963 2.103 9.470 1.00 0.00 C ATOM 0 H ALA A 87 13.032 1.101 7.497 1.00 0.00 H new ATOM 0 HA ALA A 87 11.035 3.027 7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.448 2.729 10.199 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.413 1.171 9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.969 1.883 9.827 1.00 0.00 H new ATOM 1013 N LYS A 88 14.054 4.139 8.525 1.00 0.00 N ATOM 1014 CA LYS A 88 14.837 5.355 8.707 1.00 0.00 C ATOM 1015 C LYS A 88 14.765 6.237 7.466 1.00 0.00 C ATOM 1016 O LYS A 88 14.816 7.464 7.559 1.00 0.00 O ATOM 1017 CB LYS A 88 16.294 5.006 9.020 1.00 0.00 C ATOM 1018 CG LYS A 88 16.633 5.082 10.501 1.00 0.00 C ATOM 1019 CD LYS A 88 17.072 3.732 11.046 1.00 0.00 C ATOM 1020 CE LYS A 88 18.581 3.658 11.203 1.00 0.00 C ATOM 1021 NZ LYS A 88 19.224 2.937 10.070 1.00 0.00 N ATOM 0 H LYS A 88 14.597 3.277 8.572 1.00 0.00 H new ATOM 0 HA LYS A 88 14.417 5.908 9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.503 3.999 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.947 5.684 8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.427 5.813 10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.763 5.434 11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.596 3.556 12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.736 2.941 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.989 4.667 11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.824 3.154 12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 20.253 2.909 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.854 1.966 10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 19.014 3.432 9.180 1.00 0.00 H new ATOM 1035 N MET A 89 14.645 5.604 6.303 1.00 0.00 N ATOM 1036 CA MET A 89 14.565 6.332 5.042 1.00 0.00 C ATOM 1037 C MET A 89 13.317 7.210 5.002 1.00 0.00 C ATOM 1038 O MET A 89 13.378 8.375 4.611 1.00 0.00 O ATOM 1039 CB MET A 89 14.555 5.357 3.865 1.00 0.00 C ATOM 1040 CG MET A 89 14.594 6.042 2.509 1.00 0.00 C ATOM 1041 SD MET A 89 15.628 5.169 1.318 1.00 0.00 S ATOM 1042 CE MET A 89 14.730 3.629 1.154 1.00 0.00 C ATOM 0 H MET A 89 14.601 4.589 6.208 1.00 0.00 H new ATOM 0 HA MET A 89 15.443 6.973 4.964 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.412 4.689 3.950 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.660 4.737 3.924 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.580 6.119 2.116 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.967 7.059 2.631 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.175 3.031 0.359 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.779 3.078 2.093 1.00 0.00 H new ATOM 0 HE3 MET A 89 13.689 3.839 0.910 1.00 0.00 H new ATOM 1052 N ILE A 90 12.185 6.641 5.406 1.00 0.00 N ATOM 1053 CA ILE A 90 10.924 7.372 5.417 1.00 0.00 C ATOM 1054 C ILE A 90 10.974 8.535 6.402 1.00 0.00 C ATOM 1055 O ILE A 90 10.620 9.665 6.061 1.00 0.00 O ATOM 1056 CB ILE A 90 9.743 6.454 5.785 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.766 5.184 4.932 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.423 7.191 5.607 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.807 5.452 3.444 1.00 0.00 C ATOM 0 H ILE A 90 12.116 5.676 5.730 1.00 0.00 H new ATOM 0 HA ILE A 90 10.773 7.757 4.408 1.00 0.00 H new ATOM 0 HB ILE A 90 9.841 6.167 6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.635 4.587 5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.883 4.587 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.598 6.529 5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.406 8.068 6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.318 7.504 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.822 4.505 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.925 6.022 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.704 6.022 3.202 1.00 0.00 H new ATOM 1071 N GLN A 91 11.416 8.253 7.622 1.00 0.00 N ATOM 1072 CA GLN A 91 11.514 9.277 8.655 1.00 0.00 C ATOM 1073 C GLN A 91 12.440 10.407 8.216 1.00 0.00 C ATOM 1074 O GLN A 91 12.276 11.554 8.633 1.00 0.00 O ATOM 1075 CB GLN A 91 12.021 8.665 9.963 1.00 0.00 C ATOM 1076 CG GLN A 91 10.909 8.188 10.882 1.00 0.00 C ATOM 1077 CD GLN A 91 11.356 8.078 12.327 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.057 8.948 12.841 1.00 0.00 O ATOM 1079 NE2 GLN A 91 10.949 7.001 12.991 1.00 0.00 N ATOM 0 H GLN A 91 11.712 7.324 7.920 1.00 0.00 H new ATOM 0 HA GLN A 91 10.518 9.690 8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.675 7.825 9.732 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.625 9.404 10.490 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.068 8.878 10.817 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.552 7.216 10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.368 6.304 12.525 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.217 6.872 13.966 1.00 0.00 H new ATOM 1088 N GLU A 92 13.412 10.076 7.372 1.00 0.00 N ATOM 1089 CA GLU A 92 14.362 11.064 6.877 1.00 0.00 C ATOM 1090 C GLU A 92 13.713 11.969 5.836 1.00 0.00 C ATOM 1091 O GLU A 92 13.888 13.186 5.860 1.00 0.00 O ATOM 1092 CB GLU A 92 15.585 10.370 6.275 1.00 0.00 C ATOM 1093 CG GLU A 92 16.569 9.859 7.315 1.00 0.00 C ATOM 1094 CD GLU A 92 17.970 10.406 7.114 1.00 0.00 C ATOM 1095 OE1 GLU A 92 18.718 9.830 6.297 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.317 11.408 7.773 1.00 0.00 O ATOM 0 H GLU A 92 13.562 9.132 7.017 1.00 0.00 H new ATOM 0 HA GLU A 92 14.680 11.679 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.252 9.534 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.099 11.067 5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.216 10.133 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.599 8.770 7.276 1.00 0.00 H new ATOM 1103 N VAL A 93 12.963 11.364 4.921 1.00 0.00 N ATOM 1104 CA VAL A 93 12.285 12.113 3.869 1.00 0.00 C ATOM 1105 C VAL A 93 11.316 13.133 4.461 1.00 0.00 C ATOM 1106 O VAL A 93 10.654 12.867 5.462 1.00 0.00 O ATOM 1107 CB VAL A 93 11.509 11.179 2.921 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.029 11.939 1.694 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.370 9.987 2.517 1.00 0.00 C ATOM 0 H VAL A 93 12.809 10.356 4.887 1.00 0.00 H new ATOM 0 HA VAL A 93 13.058 12.631 3.302 1.00 0.00 H new ATOM 0 HB VAL A 93 10.634 10.802 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.483 11.262 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.372 12.752 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.887 12.349 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.804 9.339 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.266 10.341 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.657 9.427 3.407 1.00 0.00 H new ATOM 1119 N LYS A 94 11.239 14.301 3.831 1.00 0.00 N ATOM 1120 CA LYS A 94 10.350 15.361 4.294 1.00 0.00 C ATOM 1121 C LYS A 94 9.484 15.879 3.152 1.00 0.00 C ATOM 1122 O LYS A 94 9.875 15.824 1.986 1.00 0.00 O ATOM 1123 CB LYS A 94 11.157 16.510 4.903 1.00 0.00 C ATOM 1124 CG LYS A 94 12.366 16.919 4.076 1.00 0.00 C ATOM 1125 CD LYS A 94 11.994 17.934 3.009 1.00 0.00 C ATOM 1126 CE LYS A 94 12.752 17.685 1.714 1.00 0.00 C ATOM 1127 NZ LYS A 94 12.101 16.633 0.885 1.00 0.00 N ATOM 0 H LYS A 94 11.781 14.537 3.000 1.00 0.00 H new ATOM 0 HA LYS A 94 9.698 14.943 5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.504 17.374 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.492 16.218 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.130 17.340 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.801 16.037 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.922 17.887 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.210 18.939 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.811 18.612 1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.775 17.386 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.241 16.849 -0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.524 15.708 1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.083 16.606 1.095 1.00 0.00 H new ATOM 1141 N GLY A 95 8.302 16.383 3.494 1.00 0.00 N ATOM 1142 CA GLY A 95 7.398 16.903 2.485 1.00 0.00 C ATOM 1143 C GLY A 95 6.601 15.809 1.805 1.00 0.00 C ATOM 1144 O GLY A 95 6.198 14.837 2.442 1.00 0.00 O ATOM 0 H GLY A 95 7.955 16.440 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.713 17.614 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.970 17.451 1.736 1.00 0.00 H new ATOM 1148 N GLU A 96 6.372 15.967 0.504 1.00 0.00 N ATOM 1149 CA GLU A 96 5.618 14.983 -0.263 1.00 0.00 C ATOM 1150 C GLU A 96 6.428 13.704 -0.454 1.00 0.00 C ATOM 1151 O GLU A 96 7.340 13.652 -1.278 1.00 0.00 O ATOM 1152 CB GLU A 96 5.228 15.560 -1.625 1.00 0.00 C ATOM 1153 CG GLU A 96 6.387 16.204 -2.368 1.00 0.00 C ATOM 1154 CD GLU A 96 6.395 17.714 -2.236 1.00 0.00 C ATOM 1155 OE1 GLU A 96 5.354 18.341 -2.525 1.00 0.00 O ATOM 1156 OE2 GLU A 96 7.443 18.270 -1.844 1.00 0.00 O ATOM 0 H GLU A 96 6.698 16.766 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 96 4.714 14.739 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.810 14.764 -2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.441 16.301 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.326 15.804 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.332 15.935 -3.423 1.00 0.00 H new ATOM 1163 N VAL A 97 6.086 12.675 0.313 1.00 0.00 N ATOM 1164 CA VAL A 97 6.780 11.395 0.228 1.00 0.00 C ATOM 1165 C VAL A 97 6.068 10.450 -0.734 1.00 0.00 C ATOM 1166 O VAL A 97 4.849 10.296 -0.678 1.00 0.00 O ATOM 1167 CB VAL A 97 6.891 10.721 1.608 1.00 0.00 C ATOM 1168 CG1 VAL A 97 7.750 9.468 1.526 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.454 11.692 2.636 1.00 0.00 C ATOM 0 H VAL A 97 5.333 12.702 1.000 1.00 0.00 H new ATOM 0 HA VAL A 97 7.783 11.602 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 97 5.890 10.429 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.816 9.007 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.301 8.764 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.750 9.734 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.524 11.196 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.445 12.019 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 97 6.796 12.557 2.718 1.00 0.00 H new ATOM 1179 N THR A 98 6.836 9.821 -1.618 1.00 0.00 N ATOM 1180 CA THR A 98 6.277 8.893 -2.593 1.00 0.00 C ATOM 1181 C THR A 98 6.734 7.463 -2.315 1.00 0.00 C ATOM 1182 O THR A 98 7.921 7.211 -2.108 1.00 0.00 O ATOM 1183 CB THR A 98 6.683 9.303 -4.010 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.724 10.713 -4.131 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.746 8.778 -5.075 1.00 0.00 C ATOM 0 H THR A 98 7.848 9.938 -1.679 1.00 0.00 H new ATOM 0 HA THR A 98 5.191 8.930 -2.507 1.00 0.00 H new ATOM 0 HB THR A 98 7.668 8.865 -4.167 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.987 10.956 -5.043 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.091 9.105 -6.056 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.730 7.689 -5.040 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.741 9.162 -4.897 1.00 0.00 H new ATOM 1193 N ILE A 99 5.784 6.535 -2.315 1.00 0.00 N ATOM 1194 CA ILE A 99 6.086 5.131 -2.066 1.00 0.00 C ATOM 1195 C ILE A 99 5.441 4.238 -3.122 1.00 0.00 C ATOM 1196 O ILE A 99 4.250 4.360 -3.410 1.00 0.00 O ATOM 1197 CB ILE A 99 5.604 4.691 -0.667 1.00 0.00 C ATOM 1198 CG1 ILE A 99 6.198 5.604 0.408 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.976 3.238 -0.400 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.421 6.885 0.609 1.00 0.00 C ATOM 0 H ILE A 99 4.797 6.730 -2.485 1.00 0.00 H new ATOM 0 HA ILE A 99 7.170 5.024 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 99 4.518 4.774 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.239 5.061 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.225 5.850 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.627 2.949 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.509 2.599 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.059 3.125 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.899 7.483 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.402 7.449 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.401 6.648 0.910 1.00 0.00 H new ATOM 1212 N HIS A 100 6.237 3.342 -3.693 1.00 0.00 N ATOM 1213 CA HIS A 100 5.747 2.427 -4.718 1.00 0.00 C ATOM 1214 C HIS A 100 5.309 1.104 -4.100 1.00 0.00 C ATOM 1215 O HIS A 100 6.138 0.254 -3.773 1.00 0.00 O ATOM 1216 CB HIS A 100 6.830 2.177 -5.770 1.00 0.00 C ATOM 1217 CG HIS A 100 7.510 3.427 -6.237 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.361 3.934 -7.510 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.347 4.273 -5.592 1.00 0.00 C ATOM 1220 CE1 HIS A 100 8.078 5.037 -7.629 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.685 5.265 -6.478 1.00 0.00 N ATOM 0 H HIS A 100 7.225 3.229 -3.464 1.00 0.00 H new ATOM 0 HA HIS A 100 4.884 2.888 -5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.577 1.499 -5.357 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.383 1.674 -6.628 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.787 3.522 -8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.686 4.184 -4.570 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.155 5.648 -8.516 1.00 0.00 H new ATOM 1230 N TYR A 101 3.999 0.935 -3.939 1.00 0.00 N ATOM 1231 CA TYR A 101 3.451 -0.284 -3.358 1.00 0.00 C ATOM 1232 C TYR A 101 2.658 -1.072 -4.396 1.00 0.00 C ATOM 1233 O TYR A 101 2.065 -0.495 -5.309 1.00 0.00 O ATOM 1234 CB TYR A 101 2.558 0.053 -2.165 1.00 0.00 C ATOM 1235 CG TYR A 101 1.351 0.891 -2.527 1.00 0.00 C ATOM 1236 CD1 TYR A 101 1.469 2.261 -2.729 1.00 0.00 C ATOM 1237 CD2 TYR A 101 0.097 0.313 -2.671 1.00 0.00 C ATOM 1238 CE1 TYR A 101 0.371 3.030 -3.060 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.007 1.076 -3.004 1.00 0.00 C ATOM 1240 CZ TYR A 101 -0.864 2.434 -3.197 1.00 0.00 C ATOM 1241 OH TYR A 101 -1.961 3.196 -3.528 1.00 0.00 O ATOM 0 H TYR A 101 3.299 1.628 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 101 4.282 -0.901 -3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.220 -0.874 -1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 101 3.148 0.585 -1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.435 2.732 -2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.018 -0.750 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.480 4.094 -3.211 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -1.976 0.611 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.676 4.113 -3.723 1.00 0.00 H new ATOM 1251 N ASN A 102 2.648 -2.393 -4.249 1.00 0.00 N ATOM 1252 CA ASN A 102 1.928 -3.262 -5.173 1.00 0.00 C ATOM 1253 C ASN A 102 0.834 -4.036 -4.444 1.00 0.00 C ATOM 1254 O ASN A 102 1.118 -4.920 -3.636 1.00 0.00 O ATOM 1255 CB ASN A 102 2.891 -4.235 -5.850 1.00 0.00 C ATOM 1256 CG ASN A 102 3.934 -3.526 -6.692 1.00 0.00 C ATOM 1257 OD1 ASN A 102 3.790 -3.404 -7.908 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.995 -3.055 -6.047 1.00 0.00 N ATOM 0 H ASN A 102 3.131 -2.886 -3.498 1.00 0.00 H new ATOM 0 HA ASN A 102 1.464 -2.636 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.390 -4.836 -5.090 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.326 -4.922 -6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.731 -2.570 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.074 -3.178 -5.038 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.420 -3.699 -4.735 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.553 -4.366 -4.106 1.00 0.00 C ATOM 1267 C LYS A 103 -1.701 -5.792 -4.626 1.00 0.00 C ATOM 1268 O LYS A 103 -1.412 -6.073 -5.790 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.845 -3.584 -4.361 1.00 0.00 C ATOM 1270 CG LYS A 103 -2.674 -2.075 -4.282 1.00 0.00 C ATOM 1271 CD LYS A 103 -4.018 -1.365 -4.238 1.00 0.00 C ATOM 1272 CE LYS A 103 -4.011 -0.103 -5.086 1.00 0.00 C ATOM 1273 NZ LYS A 103 -4.759 1.008 -4.437 1.00 0.00 N ATOM 0 H LYS A 103 -0.675 -2.970 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.366 -4.404 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.229 -3.846 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.596 -3.894 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.096 -1.819 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.105 -1.726 -5.144 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.798 -2.039 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.262 -1.110 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.982 0.208 -5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.452 -0.318 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.730 1.849 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.748 0.721 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.323 1.231 -3.520 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.149 -6.688 -3.753 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.335 -8.088 -4.121 1.00 0.00 C ATOM 1289 C LEU A 104 -3.717 -8.578 -3.703 1.00 0.00 C ATOM 1290 O LEU A 104 -4.586 -7.784 -3.347 1.00 0.00 O ATOM 1291 CB LEU A 104 -1.253 -8.958 -3.473 1.00 0.00 C ATOM 1292 CG LEU A 104 0.103 -8.277 -3.276 1.00 0.00 C ATOM 1293 CD1 LEU A 104 0.989 -9.108 -2.362 1.00 0.00 C ATOM 1294 CD2 LEU A 104 0.783 -8.048 -4.618 1.00 0.00 C ATOM 0 H LEU A 104 -2.390 -6.470 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.252 -8.168 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.615 -9.297 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.109 -9.847 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.062 -7.308 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.949 -8.608 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.506 -9.221 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.148 -10.091 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.746 -7.563 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.936 -9.005 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.154 -7.412 -5.241 1.00 0.00 H new TER 1306 LEU A 104 ATOM 1307 N GLU B 121 8.039 -8.176 14.755 1.00 0.00 N ATOM 1308 CA GLU B 121 9.092 -7.220 14.436 1.00 0.00 C ATOM 1309 C GLU B 121 8.653 -6.281 13.317 1.00 0.00 C ATOM 1310 O GLU B 121 8.963 -6.508 12.147 1.00 0.00 O ATOM 1311 CB GLU B 121 10.372 -7.955 14.029 1.00 0.00 C ATOM 1312 CG GLU B 121 11.217 -8.406 15.210 1.00 0.00 C ATOM 1313 CD GLU B 121 11.627 -7.253 16.106 1.00 0.00 C ATOM 1314 OE1 GLU B 121 10.811 -6.844 16.959 1.00 0.00 O ATOM 1315 OE2 GLU B 121 12.765 -6.761 15.955 1.00 0.00 O ATOM 0 HA GLU B 121 9.291 -6.626 15.328 1.00 0.00 H new ATOM 0 HB2 GLU B 121 10.106 -8.826 13.430 1.00 0.00 H new ATOM 0 HB3 GLU B 121 10.970 -7.301 13.394 1.00 0.00 H new ATOM 0 HG2 GLU B 121 10.657 -9.135 15.795 1.00 0.00 H new ATOM 0 HG3 GLU B 121 12.110 -8.911 14.842 1.00 0.00 H new ATOM 1322 N SER B 122 7.932 -5.229 13.685 1.00 0.00 N ATOM 1323 CA SER B 122 7.448 -4.256 12.710 1.00 0.00 C ATOM 1324 C SER B 122 7.822 -2.835 13.127 1.00 0.00 C ATOM 1325 O SER B 122 7.667 -2.457 14.288 1.00 0.00 O ATOM 1326 CB SER B 122 5.931 -4.370 12.555 1.00 0.00 C ATOM 1327 OG SER B 122 5.290 -4.399 13.818 1.00 0.00 O ATOM 0 H SER B 122 7.669 -5.027 14.650 1.00 0.00 H new ATOM 0 HA SER B 122 7.922 -4.472 11.753 1.00 0.00 H new ATOM 0 HB2 SER B 122 5.557 -3.527 11.973 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.686 -5.275 11.999 1.00 0.00 H new ATOM 0 HG SER B 122 4.321 -4.470 13.691 1.00 0.00 H new ATOM 1333 N VAL B 123 8.314 -2.055 12.169 1.00 0.00 N ATOM 1334 CA VAL B 123 8.710 -0.678 12.435 1.00 0.00 C ATOM 1335 C VAL B 123 7.676 0.305 11.895 1.00 0.00 C ATOM 1336 O VAL B 123 7.278 0.226 10.733 1.00 0.00 O ATOM 1337 CB VAL B 123 10.081 -0.357 11.809 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.568 1.011 12.262 1.00 0.00 C ATOM 1339 CG2 VAL B 123 11.094 -1.435 12.160 1.00 0.00 C ATOM 0 H VAL B 123 8.447 -2.354 11.203 1.00 0.00 H new ATOM 0 HA VAL B 123 8.779 -0.572 13.518 1.00 0.00 H new ATOM 0 HB VAL B 123 9.969 -0.336 10.725 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.537 1.220 11.810 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.852 1.773 11.954 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.664 1.022 13.348 1.00 0.00 H new ATOM 0 HG21 VAL B 123 12.056 -1.191 11.709 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.205 -1.492 13.243 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.749 -2.396 11.780 1.00 0.00 H new ATOM 1349 N LYS B 124 7.243 1.229 12.747 1.00 0.00 N ATOM 1350 CA LYS B 124 6.254 2.228 12.354 1.00 0.00 C ATOM 1351 C LYS B 124 6.931 3.535 11.959 1.00 0.00 C ATOM 1352 O LYS B 124 7.732 4.086 12.715 1.00 0.00 O ATOM 1353 CB LYS B 124 5.268 2.474 13.496 1.00 0.00 C ATOM 1354 CG LYS B 124 3.947 3.071 13.039 1.00 0.00 C ATOM 1355 CD LYS B 124 4.030 4.583 12.918 1.00 0.00 C ATOM 1356 CE LYS B 124 4.332 5.235 14.258 1.00 0.00 C ATOM 1357 NZ LYS B 124 4.014 6.690 14.252 1.00 0.00 N ATOM 0 H LYS B 124 7.561 1.307 13.713 1.00 0.00 H new ATOM 0 HA LYS B 124 5.710 1.847 11.490 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.074 1.531 14.007 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.727 3.143 14.224 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.667 2.643 12.076 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.162 2.804 13.747 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.806 4.849 12.200 1.00 0.00 H new ATOM 0 HD3 LYS B 124 3.088 4.970 12.528 1.00 0.00 H new ATOM 0 HE2 LYS B 124 3.756 4.741 15.040 1.00 0.00 H new ATOM 0 HE3 LYS B 124 5.385 5.095 14.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.431 7.140 15.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.406 7.127 13.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 2.982 6.820 14.267 1.00 0.00 H new ATOM 1371 N ILE B 125 6.602 4.030 10.769 1.00 0.00 N ATOM 1372 CA ILE B 125 7.178 5.274 10.275 1.00 0.00 C ATOM 1373 C ILE B 125 6.175 6.045 9.423 1.00 0.00 C ATOM 1374 O ILE B 125 5.071 5.510 9.182 1.00 0.00 O ATOM 1375 CB ILE B 125 8.449 5.016 9.443 1.00 0.00 C ATOM 1376 CG1 ILE B 125 8.201 3.903 8.422 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.615 4.657 10.353 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.327 4.329 7.263 1.00 0.00 C ATOM 1379 OXT ILE B 125 6.500 7.176 9.005 1.00 0.00 O ATOM 0 H ILE B 125 5.940 3.588 10.131 1.00 0.00 H new ATOM 0 HA ILE B 125 7.441 5.868 11.150 1.00 0.00 H new ATOM 0 HB ILE B 125 8.702 5.928 8.903 1.00 0.00 H new ATOM 0 HG12 ILE B 125 9.159 3.556 8.035 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.735 3.056 8.926 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.505 4.478 9.750 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.804 5.479 11.044 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.372 3.757 10.918 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.194 3.490 6.580 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.355 4.649 7.639 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.801 5.156 6.734 1.00 0.00 H new TER 1391 ILE B 125