USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 708 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 72 THR OG1 : rot -160:sc= 0.0582 USER MOD Set 1.2: A 74 ASN : amide:sc= 0 K(o=0.058,f=0.64) USER MOD Set 2.1: A 55 GLN : amide:sc= 0.539 X(o=0.56,f=0.24) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.0236 X(o=0.56,f=0.51) USER MOD Set 3.1: A 3 MET CE :methyl 170:sc= -0.0276 (180deg=-0.239) USER MOD Set 3.2: A 59 GLN : amide:sc= -2.26! C(o=-2.3!,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 3.02 (180deg=2.24) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -166:sc= -0.133 (180deg=-0.564) USER MOD Single : A 34 LYS NZ :NH3+ -141:sc= 1.91 (180deg=0.971) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.827 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 49 GLN : amide:sc= 1.15 K(o=1.2,f=-0.16) USER MOD Single : A 67 SER OG : rot 2:sc= 0.613 USER MOD Single : A 73 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.09) USER MOD Single : A 78 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 82 ASN : amide:sc= 1.15 K(o=1.1,f=-0.011) USER MOD Single : A 83 THR OG1 : rot -97:sc= 0.872 USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= 1.31 (180deg=1.22) USER MOD Single : A 86 ASN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.304 -12.206 3.305 1.00 0.00 N ATOM 2 CA GLY A 1 13.651 -13.251 2.351 1.00 0.00 C ATOM 3 C GLY A 1 13.166 -12.898 0.968 1.00 0.00 C ATOM 4 O GLY A 1 13.550 -11.866 0.415 1.00 0.00 O ATOM 0 H1 GLY A 1 13.648 -12.471 4.250 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.745 -11.310 3.014 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.271 -12.090 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.732 -13.392 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.210 -14.197 2.665 1.00 0.00 H new ATOM 10 N HIS A 2 12.317 -13.731 0.415 1.00 0.00 N ATOM 11 CA HIS A 2 11.757 -13.505 -0.901 1.00 0.00 C ATOM 12 C HIS A 2 10.477 -12.695 -0.774 1.00 0.00 C ATOM 13 O HIS A 2 9.474 -13.179 -0.226 1.00 0.00 O ATOM 14 CB HIS A 2 11.495 -14.864 -1.592 1.00 0.00 C ATOM 15 CG HIS A 2 10.799 -14.810 -2.937 1.00 0.00 C ATOM 16 ND1 HIS A 2 11.453 -14.762 -4.144 1.00 0.00 N ATOM 17 CD2 HIS A 2 9.473 -14.837 -3.235 1.00 0.00 C ATOM 18 CE1 HIS A 2 10.537 -14.760 -5.114 1.00 0.00 C ATOM 19 NE2 HIS A 2 9.312 -14.808 -4.615 1.00 0.00 N ATOM 0 H HIS A 2 11.993 -14.587 0.864 1.00 0.00 H new ATOM 0 HA HIS A 2 12.459 -12.941 -1.515 1.00 0.00 H new ATOM 0 HB2 HIS A 2 12.451 -15.372 -1.721 1.00 0.00 H new ATOM 0 HB3 HIS A 2 10.895 -15.479 -0.921 1.00 0.00 H new ATOM 0 HD2 HIS A 2 8.671 -14.875 -2.513 1.00 0.00 H new ATOM 0 HE1 HIS A 2 10.765 -14.724 -6.169 1.00 0.00 H new ATOM 0 HE2 HIS A 2 8.434 -14.821 -5.134 1.00 0.00 H new ATOM 27 N MET A 3 10.509 -11.469 -1.238 1.00 0.00 N ATOM 28 CA MET A 3 9.337 -10.640 -1.192 1.00 0.00 C ATOM 29 C MET A 3 8.483 -10.960 -2.389 1.00 0.00 C ATOM 30 O MET A 3 8.883 -10.730 -3.532 1.00 0.00 O ATOM 31 CB MET A 3 9.691 -9.155 -1.178 1.00 0.00 C ATOM 32 CG MET A 3 8.478 -8.249 -0.997 1.00 0.00 C ATOM 33 SD MET A 3 8.916 -6.499 -0.962 1.00 0.00 S ATOM 34 CE MET A 3 7.368 -5.762 -0.440 1.00 0.00 C ATOM 0 H MET A 3 11.332 -11.028 -1.649 1.00 0.00 H new ATOM 0 HA MET A 3 8.795 -10.846 -0.269 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.401 -8.965 -0.373 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.191 -8.899 -2.112 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.772 -8.427 -1.809 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.969 -8.511 -0.069 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.528 -4.710 -0.202 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.636 -5.845 -1.244 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.997 -6.282 0.444 1.00 0.00 H new ATOM 44 N GLU A 4 7.343 -11.514 -2.143 1.00 0.00 N ATOM 45 CA GLU A 4 6.467 -11.896 -3.208 1.00 0.00 C ATOM 46 C GLU A 4 5.514 -10.763 -3.480 1.00 0.00 C ATOM 47 O GLU A 4 4.701 -10.446 -2.633 1.00 0.00 O ATOM 48 CB GLU A 4 5.712 -13.153 -2.824 1.00 0.00 C ATOM 49 CG GLU A 4 4.781 -13.663 -3.897 1.00 0.00 C ATOM 50 CD GLU A 4 4.108 -14.953 -3.526 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.153 -15.358 -2.346 1.00 0.00 O ATOM 52 OE2 GLU A 4 3.519 -15.594 -4.412 1.00 0.00 O ATOM 0 H GLU A 4 6.991 -11.715 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 4 7.041 -12.106 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.430 -13.935 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.135 -12.956 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.021 -12.908 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.343 -13.805 -4.820 1.00 0.00 H new ATOM 59 N LEU A 5 5.655 -10.131 -4.627 1.00 0.00 N ATOM 60 CA LEU A 5 4.821 -9.005 -4.997 1.00 0.00 C ATOM 61 C LEU A 5 3.570 -9.508 -5.670 1.00 0.00 C ATOM 62 O LEU A 5 3.645 -10.266 -6.646 1.00 0.00 O ATOM 63 CB LEU A 5 5.559 -8.028 -5.938 1.00 0.00 C ATOM 64 CG LEU A 5 6.879 -7.416 -5.438 1.00 0.00 C ATOM 65 CD1 LEU A 5 6.758 -6.897 -4.028 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.062 -8.358 -5.596 1.00 0.00 C ATOM 0 H LEU A 5 6.351 -10.383 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 5 4.567 -8.462 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.764 -8.552 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.878 -7.210 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 5 7.083 -6.560 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.712 -6.473 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.988 -6.127 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.487 -7.715 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.965 -7.873 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.880 -9.269 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.189 -8.609 -6.649 1.00 0.00 H new ATOM 78 N PHE A 6 2.444 -9.110 -5.173 1.00 0.00 N ATOM 79 CA PHE A 6 1.193 -9.574 -5.688 1.00 0.00 C ATOM 80 C PHE A 6 0.140 -8.473 -5.749 1.00 0.00 C ATOM 81 O PHE A 6 0.121 -7.573 -4.921 1.00 0.00 O ATOM 82 CB PHE A 6 0.681 -10.766 -4.867 1.00 0.00 C ATOM 83 CG PHE A 6 0.779 -10.615 -3.383 1.00 0.00 C ATOM 84 CD1 PHE A 6 -0.065 -9.762 -2.705 1.00 0.00 C ATOM 85 CD2 PHE A 6 1.699 -11.338 -2.674 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.016 -9.626 -1.337 1.00 0.00 C ATOM 87 CE2 PHE A 6 1.792 -11.213 -1.315 1.00 0.00 C ATOM 88 CZ PHE A 6 0.947 -10.353 -0.637 1.00 0.00 C ATOM 0 H PHE A 6 2.364 -8.453 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 6 1.372 -9.898 -6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.362 -10.944 -5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.239 -11.655 -5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.800 -9.192 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.360 -12.016 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.649 -8.952 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.527 -11.787 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.019 -10.254 0.436 1.00 0.00 H new ATOM 98 N PRO A 7 -0.719 -8.522 -6.753 1.00 0.00 N ATOM 99 CA PRO A 7 -1.820 -7.599 -6.880 1.00 0.00 C ATOM 100 C PRO A 7 -3.020 -8.016 -6.041 1.00 0.00 C ATOM 101 O PRO A 7 -3.510 -9.158 -6.116 1.00 0.00 O ATOM 102 CB PRO A 7 -2.184 -7.683 -8.342 1.00 0.00 C ATOM 103 CG PRO A 7 -1.822 -9.077 -8.741 1.00 0.00 C ATOM 104 CD PRO A 7 -0.667 -9.476 -7.867 1.00 0.00 C ATOM 0 HA PRO A 7 -1.546 -6.600 -6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.245 -7.489 -8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.635 -6.947 -8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.666 -9.753 -8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.546 -9.121 -9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.767 -10.504 -7.518 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.280 -9.412 -8.403 1.00 0.00 H new ATOM 112 N VAL A 8 -3.459 -7.135 -5.228 1.00 0.00 N ATOM 113 CA VAL A 8 -4.628 -7.358 -4.461 1.00 0.00 C ATOM 114 C VAL A 8 -5.700 -6.436 -4.968 1.00 0.00 C ATOM 115 O VAL A 8 -5.638 -5.229 -4.725 1.00 0.00 O ATOM 116 CB VAL A 8 -4.409 -7.085 -2.951 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.619 -7.496 -2.134 1.00 0.00 C ATOM 118 CG2 VAL A 8 -3.145 -7.747 -2.439 1.00 0.00 C ATOM 0 H VAL A 8 -3.016 -6.230 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.908 -8.406 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.281 -6.009 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.433 -7.291 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.490 -6.931 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.805 -8.561 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.026 -7.532 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.214 -8.825 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.285 -7.360 -2.985 1.00 0.00 H new ATOM 128 N GLU A 9 -6.620 -6.963 -5.733 1.00 0.00 N ATOM 129 CA GLU A 9 -7.732 -6.174 -6.167 1.00 0.00 C ATOM 130 C GLU A 9 -8.735 -6.177 -5.047 1.00 0.00 C ATOM 131 O GLU A 9 -9.346 -7.216 -4.739 1.00 0.00 O ATOM 132 CB GLU A 9 -8.374 -6.720 -7.431 1.00 0.00 C ATOM 133 CG GLU A 9 -9.450 -5.810 -8.000 1.00 0.00 C ATOM 134 CD GLU A 9 -10.237 -6.469 -9.088 1.00 0.00 C ATOM 135 OE1 GLU A 9 -9.752 -6.548 -10.240 1.00 0.00 O ATOM 136 OE2 GLU A 9 -11.354 -6.953 -8.799 1.00 0.00 O ATOM 0 H GLU A 9 -6.618 -7.928 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.387 -5.168 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.602 -6.874 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.809 -7.696 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.125 -5.506 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.987 -4.903 -8.389 1.00 0.00 H new ATOM 143 N LEU A 10 -8.865 -5.073 -4.414 1.00 0.00 N ATOM 144 CA LEU A 10 -9.741 -4.957 -3.310 1.00 0.00 C ATOM 145 C LEU A 10 -10.948 -4.223 -3.803 1.00 0.00 C ATOM 146 O LEU A 10 -10.803 -3.280 -4.559 1.00 0.00 O ATOM 147 CB LEU A 10 -9.067 -4.110 -2.230 1.00 0.00 C ATOM 148 CG LEU A 10 -9.288 -4.507 -0.765 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.754 -4.681 -0.429 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.498 -5.747 -0.436 1.00 0.00 C ATOM 0 H LEU A 10 -8.363 -4.217 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.998 -5.934 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.994 -4.118 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.405 -3.081 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.926 -3.688 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.856 -4.962 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.282 -3.744 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.181 -5.463 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.664 -6.018 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.821 -6.565 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.437 -5.556 -0.597 1.00 0.00 H new ATOM 162 N GLU A 11 -12.112 -4.666 -3.450 1.00 0.00 N ATOM 163 CA GLU A 11 -13.275 -3.898 -3.751 1.00 0.00 C ATOM 164 C GLU A 11 -13.768 -3.295 -2.459 1.00 0.00 C ATOM 165 O GLU A 11 -14.389 -3.966 -1.631 1.00 0.00 O ATOM 166 CB GLU A 11 -14.349 -4.718 -4.452 1.00 0.00 C ATOM 167 CG GLU A 11 -15.510 -3.881 -4.949 1.00 0.00 C ATOM 168 CD GLU A 11 -16.461 -4.667 -5.792 1.00 0.00 C ATOM 169 OE1 GLU A 11 -16.190 -4.853 -7.006 1.00 0.00 O ATOM 170 OE2 GLU A 11 -17.497 -5.103 -5.288 1.00 0.00 O ATOM 0 H GLU A 11 -12.281 -5.544 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.022 -3.108 -4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.902 -5.245 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.724 -5.476 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.045 -3.464 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.127 -3.040 -5.527 1.00 0.00 H new ATOM 177 N LYS A 12 -13.399 -2.071 -2.253 1.00 0.00 N ATOM 178 CA LYS A 12 -13.722 -1.355 -1.062 1.00 0.00 C ATOM 179 C LYS A 12 -15.087 -0.725 -1.083 1.00 0.00 C ATOM 180 O LYS A 12 -15.804 -0.731 -2.090 1.00 0.00 O ATOM 181 CB LYS A 12 -12.642 -0.317 -0.698 1.00 0.00 C ATOM 182 CG LYS A 12 -11.405 -0.908 -0.017 1.00 0.00 C ATOM 183 CD LYS A 12 -11.748 -1.608 1.308 1.00 0.00 C ATOM 184 CE LYS A 12 -11.365 -0.836 2.568 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.180 0.377 2.756 1.00 0.00 N ATOM 0 H LYS A 12 -12.853 -1.530 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.746 -2.111 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.331 0.200 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.082 0.432 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.928 -1.621 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.682 -0.114 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.820 -1.801 1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.249 -2.577 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.479 -1.485 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.312 -0.558 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.738 0.984 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.244 0.895 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.135 0.109 3.069 1.00 0.00 H new ATOM 199 N ASP A 13 -15.411 -0.191 0.051 1.00 0.00 N ATOM 200 CA ASP A 13 -16.643 0.457 0.346 1.00 0.00 C ATOM 201 C ASP A 13 -16.557 1.917 -0.014 1.00 0.00 C ATOM 202 O ASP A 13 -15.479 2.430 -0.311 1.00 0.00 O ATOM 203 CB ASP A 13 -16.958 0.277 1.841 1.00 0.00 C ATOM 204 CG ASP A 13 -15.767 0.611 2.740 1.00 0.00 C ATOM 205 OD1 ASP A 13 -14.736 -0.135 2.699 1.00 0.00 O ATOM 206 OD2 ASP A 13 -15.821 1.594 3.490 1.00 0.00 O ATOM 0 H ASP A 13 -14.775 -0.198 0.849 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.446 0.013 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.801 0.914 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.267 -0.753 2.022 1.00 0.00 H new ATOM 211 N GLU A 14 -17.680 2.584 0.074 1.00 0.00 N ATOM 212 CA GLU A 14 -17.839 3.973 -0.368 1.00 0.00 C ATOM 213 C GLU A 14 -17.060 4.994 0.473 1.00 0.00 C ATOM 214 O GLU A 14 -16.965 6.179 0.108 1.00 0.00 O ATOM 215 CB GLU A 14 -19.319 4.324 -0.461 1.00 0.00 C ATOM 216 CG GLU A 14 -20.101 4.074 0.811 1.00 0.00 C ATOM 217 CD GLU A 14 -21.563 4.335 0.630 1.00 0.00 C ATOM 218 OE1 GLU A 14 -21.987 5.500 0.764 1.00 0.00 O ATOM 219 OE2 GLU A 14 -22.319 3.387 0.338 1.00 0.00 O ATOM 0 H GLU A 14 -18.534 2.181 0.460 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.392 4.038 -1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.414 5.376 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.767 3.745 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.954 3.042 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.714 4.712 1.606 1.00 0.00 H new ATOM 226 N ASP A 15 -16.509 4.553 1.576 1.00 0.00 N ATOM 227 CA ASP A 15 -15.669 5.412 2.388 1.00 0.00 C ATOM 228 C ASP A 15 -14.345 5.600 1.685 1.00 0.00 C ATOM 229 O ASP A 15 -13.738 6.678 1.719 1.00 0.00 O ATOM 230 CB ASP A 15 -15.428 4.794 3.756 1.00 0.00 C ATOM 231 CG ASP A 15 -14.577 5.667 4.660 1.00 0.00 C ATOM 232 OD1 ASP A 15 -15.114 6.590 5.285 1.00 0.00 O ATOM 233 OD2 ASP A 15 -13.354 5.423 4.784 1.00 0.00 O ATOM 0 H ASP A 15 -16.624 3.606 1.936 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.169 6.371 2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.387 4.608 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.941 3.827 3.631 1.00 0.00 H new ATOM 238 N GLY A 16 -13.930 4.563 1.007 1.00 0.00 N ATOM 239 CA GLY A 16 -12.679 4.567 0.334 1.00 0.00 C ATOM 240 C GLY A 16 -11.866 3.475 0.901 1.00 0.00 C ATOM 241 O GLY A 16 -12.338 2.344 0.986 1.00 0.00 O ATOM 0 H GLY A 16 -14.458 3.695 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.820 4.423 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.177 5.526 0.464 1.00 0.00 H new ATOM 245 N LEU A 17 -10.680 3.759 1.333 1.00 0.00 N ATOM 246 CA LEU A 17 -9.910 2.734 1.988 1.00 0.00 C ATOM 247 C LEU A 17 -10.023 2.938 3.447 1.00 0.00 C ATOM 248 O LEU A 17 -10.322 2.001 4.195 1.00 0.00 O ATOM 249 CB LEU A 17 -8.440 2.763 1.623 1.00 0.00 C ATOM 250 CG LEU A 17 -8.112 2.911 0.171 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.631 2.800 -0.044 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.883 1.941 -0.707 1.00 0.00 C ATOM 0 H LEU A 17 -10.225 4.668 1.251 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.307 1.772 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.971 3.585 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.981 1.842 1.983 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.431 3.907 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.408 2.910 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.122 3.584 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.285 1.825 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.605 2.094 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.646 0.918 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.953 2.114 -0.588 1.00 0.00 H new ATOM 264 N GLY A 18 -9.800 4.172 3.844 1.00 0.00 N ATOM 265 CA GLY A 18 -9.808 4.523 5.218 1.00 0.00 C ATOM 266 C GLY A 18 -8.567 4.016 5.877 1.00 0.00 C ATOM 267 O GLY A 18 -8.586 3.648 7.045 1.00 0.00 O ATOM 0 H GLY A 18 -9.610 4.949 3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.872 5.606 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.687 4.102 5.705 1.00 0.00 H new ATOM 271 N ILE A 19 -7.474 3.947 5.119 1.00 0.00 N ATOM 272 CA ILE A 19 -6.233 3.433 5.673 1.00 0.00 C ATOM 273 C ILE A 19 -5.203 4.549 5.811 1.00 0.00 C ATOM 274 O ILE A 19 -5.468 5.699 5.467 1.00 0.00 O ATOM 275 CB ILE A 19 -5.638 2.240 4.856 1.00 0.00 C ATOM 276 CG1 ILE A 19 -5.082 2.707 3.513 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.700 1.163 4.642 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.391 1.613 2.716 1.00 0.00 C ATOM 0 H ILE A 19 -7.426 4.235 4.142 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.478 3.041 6.660 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.814 1.819 5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.897 3.117 2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.375 3.518 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.272 0.338 4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.045 0.795 5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.541 1.586 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.024 2.024 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.553 1.218 3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.099 0.811 2.509 1.00 0.00 H new ATOM 290 N SER A 20 -4.057 4.222 6.328 1.00 0.00 N ATOM 291 CA SER A 20 -2.999 5.179 6.537 1.00 0.00 C ATOM 292 C SER A 20 -1.669 4.536 6.186 1.00 0.00 C ATOM 293 O SER A 20 -1.529 3.312 6.263 1.00 0.00 O ATOM 294 CB SER A 20 -3.027 5.618 8.000 1.00 0.00 C ATOM 295 OG SER A 20 -4.304 6.137 8.333 1.00 0.00 O ATOM 0 H SER A 20 -3.822 3.274 6.622 1.00 0.00 H new ATOM 0 HA SER A 20 -3.134 6.054 5.901 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.791 4.772 8.645 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.262 6.375 8.174 1.00 0.00 H new ATOM 0 HG SER A 20 -4.310 6.413 9.273 1.00 0.00 H new ATOM 301 N ILE A 21 -0.703 5.343 5.824 1.00 0.00 N ATOM 302 CA ILE A 21 0.609 4.863 5.416 1.00 0.00 C ATOM 303 C ILE A 21 1.673 5.537 6.241 1.00 0.00 C ATOM 304 O ILE A 21 1.387 6.516 6.936 1.00 0.00 O ATOM 305 CB ILE A 21 0.859 5.126 3.901 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.708 6.622 3.541 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.050 4.266 3.035 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.969 7.459 3.713 1.00 0.00 C ATOM 0 H ILE A 21 -0.798 6.358 5.801 1.00 0.00 H new ATOM 0 HA ILE A 21 0.648 3.786 5.580 1.00 0.00 H new ATOM 0 HB ILE A 21 1.892 4.844 3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.378 6.699 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.081 7.051 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.148 4.472 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.141 3.213 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.091 4.496 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.761 8.492 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.292 7.421 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.758 7.064 3.073 1.00 0.00 H new ATOM 320 N ILE A 22 2.868 5.034 6.194 1.00 0.00 N ATOM 321 CA ILE A 22 3.943 5.650 6.901 1.00 0.00 C ATOM 322 C ILE A 22 5.215 5.622 6.073 1.00 0.00 C ATOM 323 O ILE A 22 5.538 4.606 5.448 1.00 0.00 O ATOM 324 CB ILE A 22 4.149 5.027 8.311 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.234 5.776 9.108 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.451 3.536 8.225 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.441 5.256 10.515 1.00 0.00 C ATOM 0 H ILE A 22 3.122 4.196 5.671 1.00 0.00 H new ATOM 0 HA ILE A 22 3.677 6.694 7.066 1.00 0.00 H new ATOM 0 HB ILE A 22 3.211 5.139 8.854 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.177 5.710 8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.968 6.832 9.158 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.589 3.134 9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.620 3.024 7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.360 3.382 7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.221 5.837 11.007 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.512 5.347 11.077 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.740 4.208 10.475 1.00 0.00 H new ATOM 339 N GLY A 23 5.897 6.737 6.031 1.00 0.00 N ATOM 340 CA GLY A 23 7.099 6.833 5.272 1.00 0.00 C ATOM 341 C GLY A 23 8.303 6.534 6.101 1.00 0.00 C ATOM 342 O GLY A 23 8.685 7.322 6.969 1.00 0.00 O ATOM 0 H GLY A 23 5.631 7.592 6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.055 6.140 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.186 7.836 4.854 1.00 0.00 H new ATOM 346 N MET A 24 8.875 5.394 5.858 1.00 0.00 N ATOM 347 CA MET A 24 10.063 4.950 6.556 1.00 0.00 C ATOM 348 C MET A 24 11.131 4.679 5.537 1.00 0.00 C ATOM 349 O MET A 24 11.127 3.639 4.904 1.00 0.00 O ATOM 350 CB MET A 24 9.793 3.672 7.370 1.00 0.00 C ATOM 351 CG MET A 24 8.742 3.816 8.458 1.00 0.00 C ATOM 352 SD MET A 24 9.162 5.071 9.688 1.00 0.00 S ATOM 353 CE MET A 24 10.724 4.439 10.304 1.00 0.00 C ATOM 0 H MET A 24 8.533 4.731 5.162 1.00 0.00 H new ATOM 0 HA MET A 24 10.377 5.727 7.253 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.481 2.882 6.686 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.727 3.347 7.828 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.786 4.070 8.000 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.611 2.856 8.957 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.986 4.955 11.228 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.633 3.370 10.499 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.503 4.607 9.561 1.00 0.00 H new ATOM 363 N GLY A 25 12.010 5.627 5.340 1.00 0.00 N ATOM 364 CA GLY A 25 13.024 5.502 4.313 1.00 0.00 C ATOM 365 C GLY A 25 14.018 4.390 4.580 1.00 0.00 C ATOM 366 O GLY A 25 14.932 4.532 5.387 1.00 0.00 O ATOM 0 H GLY A 25 12.048 6.495 5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.539 5.323 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.561 6.446 4.227 1.00 0.00 H new ATOM 370 N VAL A 26 13.814 3.292 3.907 1.00 0.00 N ATOM 371 CA VAL A 26 14.653 2.110 4.006 1.00 0.00 C ATOM 372 C VAL A 26 15.198 1.839 2.589 1.00 0.00 C ATOM 373 O VAL A 26 15.600 0.723 2.203 1.00 0.00 O ATOM 374 CB VAL A 26 13.781 0.918 4.555 1.00 0.00 C ATOM 375 CG1 VAL A 26 12.694 0.485 3.571 1.00 0.00 C ATOM 376 CG2 VAL A 26 14.622 -0.256 5.015 1.00 0.00 C ATOM 0 H VAL A 26 13.039 3.182 3.253 1.00 0.00 H new ATOM 0 HA VAL A 26 15.490 2.238 4.693 1.00 0.00 H new ATOM 0 HB VAL A 26 13.272 1.304 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.123 -0.339 3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.027 1.324 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.156 0.160 2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.970 -1.048 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.212 -0.631 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.290 0.066 5.814 1.00 0.00 H new ATOM 386 N GLY A 27 15.320 2.926 1.882 1.00 0.00 N ATOM 387 CA GLY A 27 15.576 2.893 0.470 1.00 0.00 C ATOM 388 C GLY A 27 17.020 2.937 0.043 1.00 0.00 C ATOM 389 O GLY A 27 17.319 2.551 -1.069 1.00 0.00 O ATOM 0 H GLY A 27 15.244 3.866 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.129 1.986 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.060 3.736 0.011 1.00 0.00 H new ATOM 393 N ALA A 28 17.919 3.373 0.878 1.00 0.00 N ATOM 394 CA ALA A 28 19.289 3.498 0.417 1.00 0.00 C ATOM 395 C ALA A 28 20.297 2.869 1.350 1.00 0.00 C ATOM 396 O ALA A 28 20.787 1.762 1.093 1.00 0.00 O ATOM 397 CB ALA A 28 19.631 4.950 0.122 1.00 0.00 C ATOM 0 H ALA A 28 17.748 3.641 1.847 1.00 0.00 H new ATOM 0 HA ALA A 28 19.354 2.931 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 28 20.663 5.018 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.965 5.331 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.511 5.543 1.028 1.00 0.00 H new ATOM 403 N ASP A 29 20.569 3.544 2.445 1.00 0.00 N ATOM 404 CA ASP A 29 21.605 3.130 3.419 1.00 0.00 C ATOM 405 C ASP A 29 21.299 1.771 4.032 1.00 0.00 C ATOM 406 O ASP A 29 22.209 0.993 4.349 1.00 0.00 O ATOM 407 CB ASP A 29 21.752 4.177 4.529 1.00 0.00 C ATOM 408 CG ASP A 29 22.843 3.829 5.530 1.00 0.00 C ATOM 409 OD1 ASP A 29 24.020 4.142 5.278 1.00 0.00 O ATOM 410 OD2 ASP A 29 22.545 3.249 6.592 1.00 0.00 O ATOM 0 H ASP A 29 20.085 4.404 2.704 1.00 0.00 H new ATOM 0 HA ASP A 29 22.544 3.049 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.973 5.146 4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.802 4.278 5.055 1.00 0.00 H new ATOM 415 N ALA A 30 20.020 1.482 4.157 1.00 0.00 N ATOM 416 CA ALA A 30 19.546 0.236 4.732 1.00 0.00 C ATOM 417 C ALA A 30 19.972 -0.984 3.913 1.00 0.00 C ATOM 418 O ALA A 30 20.085 -2.077 4.449 1.00 0.00 O ATOM 419 CB ALA A 30 18.047 0.271 4.878 1.00 0.00 C ATOM 0 H ALA A 30 19.272 2.109 3.860 1.00 0.00 H new ATOM 0 HA ALA A 30 20.006 0.137 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 30 17.701 -0.668 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.764 1.097 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 30 17.589 0.410 3.899 1.00 0.00 H new ATOM 425 N GLY A 31 20.192 -0.793 2.617 1.00 0.00 N ATOM 426 CA GLY A 31 20.638 -1.891 1.778 1.00 0.00 C ATOM 427 C GLY A 31 19.503 -2.656 1.128 1.00 0.00 C ATOM 428 O GLY A 31 19.728 -3.581 0.350 1.00 0.00 O ATOM 0 H GLY A 31 20.071 0.097 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 31 21.294 -1.500 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 31 21.232 -2.579 2.380 1.00 0.00 H new ATOM 432 N LEU A 32 18.288 -2.290 1.453 1.00 0.00 N ATOM 433 CA LEU A 32 17.128 -2.959 0.888 1.00 0.00 C ATOM 434 C LEU A 32 16.777 -2.369 -0.461 1.00 0.00 C ATOM 435 O LEU A 32 16.399 -3.096 -1.380 1.00 0.00 O ATOM 436 CB LEU A 32 15.913 -2.915 1.838 1.00 0.00 C ATOM 437 CG LEU A 32 15.950 -3.830 3.091 1.00 0.00 C ATOM 438 CD1 LEU A 32 17.078 -3.472 4.048 1.00 0.00 C ATOM 439 CD2 LEU A 32 14.619 -3.778 3.810 1.00 0.00 C ATOM 0 H LEU A 32 18.070 -1.535 2.104 1.00 0.00 H new ATOM 0 HA LEU A 32 17.392 -4.008 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.787 -1.886 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.025 -3.171 1.260 1.00 0.00 H new ATOM 0 HG LEU A 32 16.141 -4.844 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.055 -4.145 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 32 18.035 -3.570 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.953 -2.444 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.654 -4.423 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.413 -2.754 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.830 -4.120 3.140 1.00 0.00 H new ATOM 451 N GLU A 33 16.928 -1.050 -0.555 1.00 0.00 N ATOM 452 CA GLU A 33 16.662 -0.271 -1.761 1.00 0.00 C ATOM 453 C GLU A 33 15.267 -0.500 -2.314 1.00 0.00 C ATOM 454 O GLU A 33 15.063 -1.255 -3.281 1.00 0.00 O ATOM 455 CB GLU A 33 17.737 -0.441 -2.833 1.00 0.00 C ATOM 456 CG GLU A 33 19.120 0.007 -2.405 1.00 0.00 C ATOM 457 CD GLU A 33 20.103 -0.065 -3.534 1.00 0.00 C ATOM 458 OE1 GLU A 33 20.649 -1.151 -3.799 1.00 0.00 O ATOM 459 OE2 GLU A 33 20.336 0.961 -4.198 1.00 0.00 O ATOM 0 H GLU A 33 17.247 -0.478 0.227 1.00 0.00 H new ATOM 0 HA GLU A 33 16.705 0.772 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.781 -1.491 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.443 0.122 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.071 1.029 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.466 -0.618 -1.582 1.00 0.00 H new ATOM 466 N LYS A 34 14.315 0.107 -1.666 1.00 0.00 N ATOM 467 CA LYS A 34 12.941 -0.004 -2.006 1.00 0.00 C ATOM 468 C LYS A 34 12.241 1.156 -1.340 1.00 0.00 C ATOM 469 O LYS A 34 12.853 1.857 -0.529 1.00 0.00 O ATOM 470 CB LYS A 34 12.389 -1.340 -1.454 1.00 0.00 C ATOM 471 CG LYS A 34 12.320 -1.401 0.076 1.00 0.00 C ATOM 472 CD LYS A 34 12.207 -2.826 0.608 1.00 0.00 C ATOM 473 CE LYS A 34 10.960 -3.530 0.121 1.00 0.00 C ATOM 474 NZ LYS A 34 10.884 -4.911 0.633 1.00 0.00 N ATOM 0 H LYS A 34 14.488 0.710 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 34 12.788 0.014 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.391 -1.504 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.016 -2.156 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.211 -0.932 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.463 -0.821 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.085 -3.395 0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.206 -2.804 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.079 -2.974 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.951 -3.544 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.514 -5.537 -0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.833 -5.230 0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.251 -4.941 1.458 1.00 0.00 H new ATOM 488 N LEU A 35 11.013 1.378 -1.704 1.00 0.00 N ATOM 489 CA LEU A 35 10.161 2.339 -1.061 1.00 0.00 C ATOM 490 C LEU A 35 10.012 1.972 0.419 1.00 0.00 C ATOM 491 O LEU A 35 10.082 0.798 0.785 1.00 0.00 O ATOM 492 CB LEU A 35 8.810 2.248 -1.743 1.00 0.00 C ATOM 493 CG LEU A 35 8.155 0.872 -1.647 1.00 0.00 C ATOM 494 CD1 LEU A 35 7.002 0.881 -0.693 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.771 0.332 -2.994 1.00 0.00 C ATOM 0 H LEU A 35 10.563 0.885 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 35 10.572 3.346 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.142 2.988 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.927 2.510 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 35 8.902 0.188 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.559 -0.114 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.353 1.167 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.254 1.597 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.309 -0.648 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.064 1.011 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.661 0.240 -3.616 1.00 0.00 H new ATOM 507 N GLY A 36 9.815 2.940 1.255 1.00 0.00 N ATOM 508 CA GLY A 36 9.632 2.633 2.633 1.00 0.00 C ATOM 509 C GLY A 36 8.263 2.994 3.104 1.00 0.00 C ATOM 510 O GLY A 36 8.074 3.375 4.244 1.00 0.00 O ATOM 0 H GLY A 36 9.777 3.930 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.803 1.569 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.373 3.168 3.226 1.00 0.00 H new ATOM 514 N ILE A 37 7.304 2.881 2.241 1.00 0.00 N ATOM 515 CA ILE A 37 5.960 3.230 2.594 1.00 0.00 C ATOM 516 C ILE A 37 5.236 2.025 3.128 1.00 0.00 C ATOM 517 O ILE A 37 4.768 1.161 2.384 1.00 0.00 O ATOM 518 CB ILE A 37 5.183 3.846 1.425 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.941 5.076 0.882 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.773 4.233 1.892 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.961 6.269 1.802 1.00 0.00 C ATOM 0 H ILE A 37 7.424 2.549 1.284 1.00 0.00 H new ATOM 0 HA ILE A 37 6.020 3.993 3.370 1.00 0.00 H new ATOM 0 HB ILE A 37 5.094 3.117 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.969 4.785 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.490 5.374 -0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.222 4.671 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.250 3.344 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.844 4.959 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.516 7.081 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.939 6.594 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.442 5.996 2.741 1.00 0.00 H new ATOM 533 N PHE A 38 5.180 1.955 4.402 1.00 0.00 N ATOM 534 CA PHE A 38 4.525 0.880 5.068 1.00 0.00 C ATOM 535 C PHE A 38 3.112 1.262 5.354 1.00 0.00 C ATOM 536 O PHE A 38 2.760 2.444 5.292 1.00 0.00 O ATOM 537 CB PHE A 38 5.245 0.528 6.364 1.00 0.00 C ATOM 538 CG PHE A 38 6.578 -0.121 6.171 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.656 -1.485 5.985 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.748 0.620 6.185 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.867 -2.105 5.811 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.970 0.006 6.015 1.00 0.00 C ATOM 543 CZ PHE A 38 9.031 -1.358 5.827 1.00 0.00 C ATOM 0 H PHE A 38 5.591 2.648 5.027 1.00 0.00 H new ATOM 0 HA PHE A 38 4.542 0.003 4.422 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.378 1.437 6.950 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.611 -0.138 6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.751 -2.074 5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.702 1.689 6.331 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.912 -3.174 5.662 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.877 0.592 6.029 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.987 -1.843 5.692 1.00 0.00 H new ATOM 553 N VAL A 39 2.298 0.292 5.629 1.00 0.00 N ATOM 554 CA VAL A 39 0.953 0.564 6.017 1.00 0.00 C ATOM 555 C VAL A 39 0.978 0.961 7.490 1.00 0.00 C ATOM 556 O VAL A 39 1.572 0.271 8.326 1.00 0.00 O ATOM 557 CB VAL A 39 0.018 -0.654 5.779 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.424 -0.306 6.126 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.113 -1.121 4.333 1.00 0.00 C ATOM 0 H VAL A 39 2.543 -0.697 5.591 1.00 0.00 H new ATOM 0 HA VAL A 39 0.549 1.371 5.407 1.00 0.00 H new ATOM 0 HB VAL A 39 0.342 -1.464 6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.060 -1.174 5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.486 -0.016 7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.759 0.521 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.548 -1.975 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.185 -0.310 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.140 -1.413 4.112 1.00 0.00 H new ATOM 569 N LYS A 40 0.405 2.084 7.783 1.00 0.00 N ATOM 570 CA LYS A 40 0.400 2.623 9.119 1.00 0.00 C ATOM 571 C LYS A 40 -0.794 2.099 9.877 1.00 0.00 C ATOM 572 O LYS A 40 -0.659 1.563 10.984 1.00 0.00 O ATOM 573 CB LYS A 40 0.369 4.153 9.041 1.00 0.00 C ATOM 574 CG LYS A 40 0.243 4.891 10.356 1.00 0.00 C ATOM 575 CD LYS A 40 1.407 4.640 11.289 1.00 0.00 C ATOM 576 CE LYS A 40 1.199 5.424 12.553 1.00 0.00 C ATOM 577 NZ LYS A 40 2.284 5.234 13.540 1.00 0.00 N ATOM 0 H LYS A 40 -0.080 2.665 7.099 1.00 0.00 H new ATOM 0 HA LYS A 40 1.301 2.314 9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.281 4.488 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.465 4.446 8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.166 5.960 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.682 4.590 10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.486 3.577 11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.342 4.935 10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.121 6.483 12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.251 5.130 13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.084 5.800 14.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.345 4.229 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.188 5.540 13.126 1.00 0.00 H new ATOM 591 N THR A 41 -1.941 2.216 9.275 1.00 0.00 N ATOM 592 CA THR A 41 -3.163 1.815 9.895 1.00 0.00 C ATOM 593 C THR A 41 -4.109 1.398 8.784 1.00 0.00 C ATOM 594 O THR A 41 -3.887 1.741 7.611 1.00 0.00 O ATOM 595 CB THR A 41 -3.827 3.007 10.607 1.00 0.00 C ATOM 596 OG1 THR A 41 -2.837 3.920 11.131 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.701 2.546 11.759 1.00 0.00 C ATOM 0 H THR A 41 -2.052 2.595 8.335 1.00 0.00 H new ATOM 0 HA THR A 41 -2.960 1.020 10.612 1.00 0.00 H new ATOM 0 HB THR A 41 -4.439 3.513 9.860 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.286 4.669 11.577 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.155 3.412 12.240 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.484 1.889 11.381 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.092 2.006 12.484 1.00 0.00 H new ATOM 605 N VAL A 42 -5.124 0.687 9.131 1.00 0.00 N ATOM 606 CA VAL A 42 -6.152 0.302 8.221 1.00 0.00 C ATOM 607 C VAL A 42 -7.473 0.716 8.878 1.00 0.00 C ATOM 608 O VAL A 42 -7.495 0.973 10.092 1.00 0.00 O ATOM 609 CB VAL A 42 -6.157 -1.261 7.961 1.00 0.00 C ATOM 610 CG1 VAL A 42 -7.256 -1.669 6.985 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.814 -1.740 7.437 1.00 0.00 C ATOM 0 H VAL A 42 -5.269 0.346 10.081 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.997 0.780 7.254 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.353 -1.734 8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.226 -2.748 6.833 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.227 -1.387 7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.102 -1.164 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.852 -2.816 7.269 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.588 -1.234 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.037 -1.514 8.167 1.00 0.00 H new ATOM 621 N THR A 43 -8.528 0.853 8.089 1.00 0.00 N ATOM 622 CA THR A 43 -9.873 1.067 8.597 1.00 0.00 C ATOM 623 C THR A 43 -10.240 -0.097 9.542 1.00 0.00 C ATOM 624 O THR A 43 -9.610 -1.165 9.470 1.00 0.00 O ATOM 625 CB THR A 43 -10.885 1.114 7.410 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.209 1.276 7.890 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.808 -0.158 6.575 1.00 0.00 C ATOM 0 H THR A 43 -8.474 0.818 7.071 1.00 0.00 H new ATOM 0 HA THR A 43 -9.915 2.013 9.137 1.00 0.00 H new ATOM 0 HB THR A 43 -10.618 1.966 6.785 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.830 1.305 7.133 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.523 -0.099 5.755 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.801 -0.268 6.171 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.044 -1.019 7.201 1.00 0.00 H new ATOM 635 N GLU A 44 -11.267 0.087 10.377 1.00 0.00 N ATOM 636 CA GLU A 44 -11.666 -0.918 11.372 1.00 0.00 C ATOM 637 C GLU A 44 -11.940 -2.272 10.700 1.00 0.00 C ATOM 638 O GLU A 44 -11.634 -3.335 11.255 1.00 0.00 O ATOM 639 CB GLU A 44 -12.888 -0.438 12.169 1.00 0.00 C ATOM 640 CG GLU A 44 -13.348 -1.407 13.244 1.00 0.00 C ATOM 641 CD GLU A 44 -14.532 -0.901 14.013 1.00 0.00 C ATOM 642 OE1 GLU A 44 -15.664 -0.959 13.493 1.00 0.00 O ATOM 643 OE2 GLU A 44 -14.368 -0.470 15.169 1.00 0.00 O ATOM 0 H GLU A 44 -11.842 0.929 10.384 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.841 -1.053 12.071 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.651 0.519 12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.712 -0.261 11.478 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.601 -2.362 12.782 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.525 -1.595 13.934 1.00 0.00 H new ATOM 650 N GLY A 45 -12.468 -2.216 9.504 1.00 0.00 N ATOM 651 CA GLY A 45 -12.695 -3.407 8.749 1.00 0.00 C ATOM 652 C GLY A 45 -12.906 -3.093 7.299 1.00 0.00 C ATOM 653 O GLY A 45 -12.101 -3.489 6.428 1.00 0.00 O ATOM 0 H GLY A 45 -12.747 -1.353 9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.844 -4.079 8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.567 -3.930 9.142 1.00 0.00 H new ATOM 657 N GLY A 46 -13.908 -2.280 7.083 1.00 0.00 N ATOM 658 CA GLY A 46 -14.433 -1.895 5.799 1.00 0.00 C ATOM 659 C GLY A 46 -14.626 -3.079 4.924 1.00 0.00 C ATOM 660 O GLY A 46 -15.569 -3.847 5.054 1.00 0.00 O ATOM 0 H GLY A 46 -14.413 -1.840 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.383 -1.378 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.752 -1.192 5.320 1.00 0.00 H new ATOM 664 N ALA A 47 -13.715 -3.217 4.065 1.00 0.00 N ATOM 665 CA ALA A 47 -13.620 -4.360 3.204 1.00 0.00 C ATOM 666 C ALA A 47 -12.164 -4.758 3.075 1.00 0.00 C ATOM 667 O ALA A 47 -11.833 -5.703 2.407 1.00 0.00 O ATOM 668 CB ALA A 47 -14.237 -4.090 1.837 1.00 0.00 C ATOM 0 H ALA A 47 -12.977 -2.528 3.917 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.185 -5.181 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.145 -4.980 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.291 -3.838 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.717 -3.259 1.361 1.00 0.00 H new ATOM 674 N ALA A 48 -11.298 -4.042 3.799 1.00 0.00 N ATOM 675 CA ALA A 48 -9.859 -4.250 3.709 1.00 0.00 C ATOM 676 C ALA A 48 -9.467 -5.315 4.669 1.00 0.00 C ATOM 677 O ALA A 48 -8.884 -6.308 4.291 1.00 0.00 O ATOM 678 CB ALA A 48 -9.093 -2.972 4.010 1.00 0.00 C ATOM 0 H ALA A 48 -11.575 -3.312 4.455 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.611 -4.550 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.023 -3.163 3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.376 -2.201 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.331 -2.634 5.019 1.00 0.00 H new ATOM 684 N GLN A 49 -9.815 -5.135 5.928 1.00 0.00 N ATOM 685 CA GLN A 49 -9.521 -6.169 6.875 1.00 0.00 C ATOM 686 C GLN A 49 -10.496 -7.322 6.736 1.00 0.00 C ATOM 687 O GLN A 49 -10.196 -8.454 7.115 1.00 0.00 O ATOM 688 CB GLN A 49 -9.438 -5.634 8.271 1.00 0.00 C ATOM 689 CG GLN A 49 -8.213 -4.788 8.489 1.00 0.00 C ATOM 690 CD GLN A 49 -7.968 -4.484 9.937 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.293 -5.237 10.634 1.00 0.00 O ATOM 692 NE2 GLN A 49 -8.471 -3.394 10.408 1.00 0.00 N ATOM 0 H GLN A 49 -10.285 -4.310 6.301 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.531 -6.567 6.651 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.328 -5.042 8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.432 -6.465 8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.344 -5.302 8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.320 -3.853 7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.028 -2.787 9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.312 -3.138 11.383 1.00 0.00 H new ATOM 701 N ARG A 50 -11.670 -7.032 6.158 1.00 0.00 N ATOM 702 CA ARG A 50 -12.608 -8.092 5.810 1.00 0.00 C ATOM 703 C ARG A 50 -12.056 -8.926 4.670 1.00 0.00 C ATOM 704 O ARG A 50 -12.451 -10.073 4.474 1.00 0.00 O ATOM 705 CB ARG A 50 -13.988 -7.565 5.479 1.00 0.00 C ATOM 706 CG ARG A 50 -14.772 -7.106 6.692 1.00 0.00 C ATOM 707 CD ARG A 50 -15.012 -8.255 7.676 1.00 0.00 C ATOM 708 NE ARG A 50 -15.676 -9.410 7.047 1.00 0.00 N ATOM 709 CZ ARG A 50 -15.719 -10.654 7.562 1.00 0.00 C ATOM 710 NH1 ARG A 50 -15.111 -10.931 8.719 1.00 0.00 N ATOM 711 NH2 ARG A 50 -16.378 -11.612 6.925 1.00 0.00 N ATOM 0 H ARG A 50 -11.983 -6.089 5.928 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.723 -8.724 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.892 -6.732 4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.552 -8.345 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.231 -6.304 7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.729 -6.694 6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.058 -8.574 8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.622 -7.897 8.505 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.139 -9.256 6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.609 -10.198 9.220 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.149 -11.876 9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.852 -11.407 6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.411 -12.554 7.314 1.00 0.00 H new ATOM 725 N ASP A 51 -11.164 -8.330 3.899 1.00 0.00 N ATOM 726 CA ASP A 51 -10.414 -9.072 2.910 1.00 0.00 C ATOM 727 C ASP A 51 -9.412 -9.958 3.642 1.00 0.00 C ATOM 728 O ASP A 51 -9.524 -11.185 3.615 1.00 0.00 O ATOM 729 CB ASP A 51 -9.708 -8.124 1.944 1.00 0.00 C ATOM 730 CG ASP A 51 -8.701 -8.810 1.061 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.097 -9.457 0.067 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.510 -8.714 1.355 1.00 0.00 O ATOM 0 H ASP A 51 -10.944 -7.335 3.941 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.086 -9.691 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.454 -7.633 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.207 -7.343 2.515 1.00 0.00 H new ATOM 737 N GLY A 52 -8.465 -9.331 4.324 1.00 0.00 N ATOM 738 CA GLY A 52 -7.521 -10.065 5.155 1.00 0.00 C ATOM 739 C GLY A 52 -6.302 -10.562 4.403 1.00 0.00 C ATOM 740 O GLY A 52 -5.361 -11.111 5.005 1.00 0.00 O ATOM 0 H GLY A 52 -8.330 -8.320 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.195 -9.422 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.032 -10.917 5.604 1.00 0.00 H new ATOM 744 N ARG A 53 -6.301 -10.375 3.106 1.00 0.00 N ATOM 745 CA ARG A 53 -5.196 -10.774 2.282 1.00 0.00 C ATOM 746 C ARG A 53 -4.212 -9.612 2.328 1.00 0.00 C ATOM 747 O ARG A 53 -2.986 -9.804 2.287 1.00 0.00 O ATOM 748 CB ARG A 53 -5.711 -11.091 0.851 1.00 0.00 C ATOM 749 CG ARG A 53 -4.793 -11.922 -0.042 1.00 0.00 C ATOM 750 CD ARG A 53 -3.614 -11.149 -0.600 1.00 0.00 C ATOM 751 NE ARG A 53 -2.747 -12.021 -1.408 1.00 0.00 N ATOM 752 CZ ARG A 53 -2.623 -11.992 -2.750 1.00 0.00 C ATOM 753 NH1 ARG A 53 -3.319 -11.125 -3.488 1.00 0.00 N ATOM 754 NH2 ARG A 53 -1.805 -12.842 -3.349 1.00 0.00 N ATOM 0 H ARG A 53 -7.070 -9.941 2.595 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.701 -11.682 2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.663 -11.615 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.913 -10.147 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.420 -12.773 0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.376 -12.325 -0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.974 -10.321 -1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.039 -10.715 0.218 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.188 -12.711 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.958 -10.470 -3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.212 -11.118 -4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.273 -13.514 -2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.706 -12.826 -4.364 1.00 0.00 H new ATOM 768 N ILE A 54 -4.772 -8.419 2.436 1.00 0.00 N ATOM 769 CA ILE A 54 -4.009 -7.219 2.702 1.00 0.00 C ATOM 770 C ILE A 54 -4.023 -7.014 4.227 1.00 0.00 C ATOM 771 O ILE A 54 -5.030 -7.341 4.893 1.00 0.00 O ATOM 772 CB ILE A 54 -4.632 -5.965 2.002 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.687 -4.758 2.133 1.00 0.00 C ATOM 774 CG2 ILE A 54 -6.000 -5.632 2.616 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.161 -3.514 1.410 1.00 0.00 C ATOM 0 H ILE A 54 -5.775 -8.259 2.340 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.997 -7.332 2.312 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.770 -6.192 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.560 -4.524 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.706 -5.036 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.419 -4.758 2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.673 -6.480 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.880 -5.422 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.437 -2.712 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.260 -3.727 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.127 -3.207 1.810 1.00 0.00 H new ATOM 787 N GLN A 55 -2.940 -6.542 4.788 1.00 0.00 N ATOM 788 CA GLN A 55 -2.870 -6.330 6.224 1.00 0.00 C ATOM 789 C GLN A 55 -2.144 -5.001 6.566 1.00 0.00 C ATOM 790 O GLN A 55 -1.691 -4.286 5.673 1.00 0.00 O ATOM 791 CB GLN A 55 -2.204 -7.546 6.899 1.00 0.00 C ATOM 792 CG GLN A 55 -3.057 -8.813 6.856 1.00 0.00 C ATOM 793 CD GLN A 55 -2.294 -10.093 7.127 1.00 0.00 C ATOM 794 OE1 GLN A 55 -1.288 -10.116 7.848 1.00 0.00 O ATOM 795 NE2 GLN A 55 -2.769 -11.173 6.560 1.00 0.00 N ATOM 0 H GLN A 55 -2.091 -6.295 4.279 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.883 -6.237 6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.249 -7.744 6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.986 -7.300 7.938 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.859 -8.721 7.588 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.528 -8.886 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.600 -11.117 5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.308 -12.071 6.706 1.00 0.00 H new ATOM 804 N VAL A 56 -2.043 -4.674 7.858 1.00 0.00 N ATOM 805 CA VAL A 56 -1.432 -3.402 8.292 1.00 0.00 C ATOM 806 C VAL A 56 0.091 -3.533 8.385 1.00 0.00 C ATOM 807 O VAL A 56 0.824 -2.544 8.418 1.00 0.00 O ATOM 808 CB VAL A 56 -2.001 -2.914 9.677 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.465 -3.710 10.863 1.00 0.00 C ATOM 810 CG2 VAL A 56 -1.805 -1.419 9.886 1.00 0.00 C ATOM 0 H VAL A 56 -2.373 -5.265 8.622 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.688 -2.658 7.538 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.073 -3.106 9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.896 -3.323 11.786 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.735 -4.760 10.749 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.380 -3.617 10.903 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.213 -1.130 10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.741 -1.184 9.856 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.320 -0.871 9.097 1.00 0.00 H new ATOM 820 N ASN A 57 0.569 -4.751 8.379 1.00 0.00 N ATOM 821 CA ASN A 57 1.998 -5.004 8.534 1.00 0.00 C ATOM 822 C ASN A 57 2.659 -5.050 7.160 1.00 0.00 C ATOM 823 O ASN A 57 3.856 -5.346 7.013 1.00 0.00 O ATOM 824 CB ASN A 57 2.241 -6.316 9.305 1.00 0.00 C ATOM 825 CG ASN A 57 2.069 -7.583 8.462 1.00 0.00 C ATOM 826 OD1 ASN A 57 3.030 -8.086 7.875 1.00 0.00 O ATOM 827 ND2 ASN A 57 0.884 -8.121 8.424 1.00 0.00 N ATOM 0 H ASN A 57 -0.001 -5.590 8.269 1.00 0.00 H new ATOM 0 HA ASN A 57 2.442 -4.194 9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.251 -6.301 9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.554 -6.360 10.150 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.731 -8.982 7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.108 -7.682 8.920 1.00 0.00 H new ATOM 834 N ASP A 58 1.880 -4.703 6.182 1.00 0.00 N ATOM 835 CA ASP A 58 2.262 -4.749 4.796 1.00 0.00 C ATOM 836 C ASP A 58 2.918 -3.454 4.377 1.00 0.00 C ATOM 837 O ASP A 58 3.133 -2.531 5.195 1.00 0.00 O ATOM 838 CB ASP A 58 1.025 -5.000 3.907 1.00 0.00 C ATOM 839 CG ASP A 58 0.302 -6.315 4.176 1.00 0.00 C ATOM 840 OD1 ASP A 58 0.533 -6.947 5.224 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.514 -6.746 3.339 1.00 0.00 O ATOM 0 H ASP A 58 0.928 -4.368 6.327 1.00 0.00 H new ATOM 0 HA ASP A 58 2.973 -5.566 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.322 -4.179 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.335 -4.979 2.862 1.00 0.00 H new ATOM 846 N GLN A 59 3.211 -3.371 3.118 1.00 0.00 N ATOM 847 CA GLN A 59 3.850 -2.242 2.533 1.00 0.00 C ATOM 848 C GLN A 59 3.246 -1.986 1.166 1.00 0.00 C ATOM 849 O GLN A 59 3.140 -2.906 0.356 1.00 0.00 O ATOM 850 CB GLN A 59 5.349 -2.512 2.437 1.00 0.00 C ATOM 851 CG GLN A 59 6.104 -1.496 1.629 1.00 0.00 C ATOM 852 CD GLN A 59 7.584 -1.672 1.695 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.168 -2.400 0.912 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.208 -0.994 2.614 1.00 0.00 N ATOM 0 H GLN A 59 3.004 -4.113 2.450 1.00 0.00 H new ATOM 0 HA GLN A 59 3.701 -1.354 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.767 -2.544 3.443 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.502 -3.497 1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.784 -1.558 0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.848 -0.497 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.683 -0.395 3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.222 -1.062 2.697 1.00 0.00 H new ATOM 863 N ILE A 60 2.840 -0.755 0.916 1.00 0.00 N ATOM 864 CA ILE A 60 2.228 -0.406 -0.348 1.00 0.00 C ATOM 865 C ILE A 60 3.323 -0.282 -1.392 1.00 0.00 C ATOM 866 O ILE A 60 4.061 0.682 -1.393 1.00 0.00 O ATOM 867 CB ILE A 60 1.476 0.952 -0.294 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.431 1.003 0.834 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.809 1.220 -1.626 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.641 -0.068 0.766 1.00 0.00 C ATOM 0 H ILE A 60 2.924 0.020 1.574 1.00 0.00 H new ATOM 0 HA ILE A 60 1.507 -1.187 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 60 2.215 1.724 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.947 0.919 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.052 1.980 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.283 2.174 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.565 1.257 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.099 0.423 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.329 0.052 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.190 0.026 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.176 -1.052 0.817 1.00 0.00 H new ATOM 882 N VAL A 61 3.429 -1.247 -2.255 1.00 0.00 N ATOM 883 CA VAL A 61 4.475 -1.241 -3.257 1.00 0.00 C ATOM 884 C VAL A 61 4.017 -0.422 -4.462 1.00 0.00 C ATOM 885 O VAL A 61 4.718 0.481 -4.948 1.00 0.00 O ATOM 886 CB VAL A 61 4.830 -2.703 -3.658 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.862 -2.785 -4.756 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.282 -3.491 -2.444 1.00 0.00 C ATOM 0 H VAL A 61 2.807 -2.054 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 61 5.376 -0.779 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 61 3.917 -3.145 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.064 -3.831 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.486 -2.282 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.782 -2.302 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.526 -4.511 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.164 -3.019 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.481 -3.511 -1.705 1.00 0.00 H new ATOM 898 N GLU A 62 2.837 -0.713 -4.910 1.00 0.00 N ATOM 899 CA GLU A 62 2.242 -0.035 -6.005 1.00 0.00 C ATOM 900 C GLU A 62 0.739 -0.055 -5.841 1.00 0.00 C ATOM 901 O GLU A 62 0.171 -1.060 -5.466 1.00 0.00 O ATOM 902 CB GLU A 62 2.621 -0.733 -7.306 1.00 0.00 C ATOM 903 CG GLU A 62 1.921 -0.182 -8.517 1.00 0.00 C ATOM 904 CD GLU A 62 2.178 -0.990 -9.735 1.00 0.00 C ATOM 905 OE1 GLU A 62 3.273 -0.899 -10.280 1.00 0.00 O ATOM 906 OE2 GLU A 62 1.283 -1.737 -10.155 1.00 0.00 O ATOM 0 H GLU A 62 2.251 -1.447 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 62 2.596 0.996 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.698 -0.650 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.392 -1.795 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.848 -0.146 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.249 0.843 -8.688 1.00 0.00 H new ATOM 913 N VAL A 63 0.111 1.057 -6.062 1.00 0.00 N ATOM 914 CA VAL A 63 -1.321 1.126 -6.072 1.00 0.00 C ATOM 915 C VAL A 63 -1.787 1.638 -7.404 1.00 0.00 C ATOM 916 O VAL A 63 -1.223 2.590 -7.925 1.00 0.00 O ATOM 917 CB VAL A 63 -1.892 1.962 -4.883 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.269 2.526 -5.205 1.00 0.00 C ATOM 919 CG2 VAL A 63 -2.013 1.063 -3.681 1.00 0.00 C ATOM 0 H VAL A 63 0.576 1.947 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.713 0.119 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.215 2.795 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.634 3.102 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.202 3.173 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.958 1.707 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.411 1.631 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.685 0.237 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.030 0.670 -3.421 1.00 0.00 H new ATOM 929 N ASP A 64 -2.715 0.905 -8.004 1.00 0.00 N ATOM 930 CA ASP A 64 -3.382 1.246 -9.293 1.00 0.00 C ATOM 931 C ASP A 64 -2.458 1.107 -10.508 1.00 0.00 C ATOM 932 O ASP A 64 -2.892 1.062 -11.654 1.00 0.00 O ATOM 933 CB ASP A 64 -4.051 2.642 -9.244 1.00 0.00 C ATOM 934 CG ASP A 64 -4.802 2.984 -10.514 1.00 0.00 C ATOM 935 OD1 ASP A 64 -5.837 2.342 -10.791 1.00 0.00 O ATOM 936 OD2 ASP A 64 -4.364 3.892 -11.269 1.00 0.00 O ATOM 0 H ASP A 64 -3.048 0.025 -7.610 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.170 0.504 -9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.740 2.679 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.287 3.399 -9.065 1.00 0.00 H new ATOM 941 N GLY A 65 -1.220 0.951 -10.237 1.00 0.00 N ATOM 942 CA GLY A 65 -0.231 0.929 -11.263 1.00 0.00 C ATOM 943 C GLY A 65 0.473 2.249 -11.342 1.00 0.00 C ATOM 944 O GLY A 65 1.147 2.548 -12.322 1.00 0.00 O ATOM 0 H GLY A 65 -0.853 0.833 -9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.491 0.137 -11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.698 0.701 -12.221 1.00 0.00 H new ATOM 948 N ILE A 66 0.307 3.059 -10.293 1.00 0.00 N ATOM 949 CA ILE A 66 0.919 4.376 -10.222 1.00 0.00 C ATOM 950 C ILE A 66 2.431 4.242 -9.982 1.00 0.00 C ATOM 951 O ILE A 66 3.212 5.121 -10.322 1.00 0.00 O ATOM 952 CB ILE A 66 0.260 5.234 -9.084 1.00 0.00 C ATOM 953 CG1 ILE A 66 0.440 6.713 -9.388 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.874 4.902 -7.715 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.267 7.618 -8.423 1.00 0.00 C ATOM 0 H ILE A 66 -0.254 2.816 -9.476 1.00 0.00 H new ATOM 0 HA ILE A 66 0.756 4.886 -11.172 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.803 4.996 -9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.504 6.949 -9.381 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.075 6.915 -10.395 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.399 5.511 -6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.716 3.847 -7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.943 5.112 -7.735 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.093 8.657 -8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.337 7.410 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.114 7.446 -7.416 1.00 0.00 H new ATOM 967 N SER A 67 2.807 3.076 -9.461 1.00 0.00 N ATOM 968 CA SER A 67 4.164 2.732 -9.051 1.00 0.00 C ATOM 969 C SER A 67 4.784 3.815 -8.162 1.00 0.00 C ATOM 970 O SER A 67 5.442 4.743 -8.622 1.00 0.00 O ATOM 971 CB SER A 67 5.061 2.332 -10.245 1.00 0.00 C ATOM 972 OG SER A 67 5.120 3.353 -11.239 1.00 0.00 O ATOM 0 H SER A 67 2.146 2.315 -9.307 1.00 0.00 H new ATOM 0 HA SER A 67 4.093 1.838 -8.432 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.068 2.118 -9.886 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.680 1.414 -10.692 1.00 0.00 H new ATOM 0 HG SER A 67 4.595 4.126 -10.945 1.00 0.00 H new ATOM 978 N LEU A 68 4.552 3.687 -6.886 1.00 0.00 N ATOM 979 CA LEU A 68 5.009 4.663 -5.924 1.00 0.00 C ATOM 980 C LEU A 68 6.302 4.183 -5.287 1.00 0.00 C ATOM 981 O LEU A 68 6.699 4.605 -4.204 1.00 0.00 O ATOM 982 CB LEU A 68 3.915 4.887 -4.896 1.00 0.00 C ATOM 983 CG LEU A 68 3.465 3.659 -4.146 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.920 3.700 -2.700 1.00 0.00 C ATOM 985 CD2 LEU A 68 1.980 3.495 -4.275 1.00 0.00 C ATOM 0 H LEU A 68 4.041 2.904 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 68 5.219 5.616 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.265 5.624 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.051 5.320 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 68 3.935 2.781 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.580 2.801 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.008 3.750 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.499 4.579 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.663 2.606 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.480 4.371 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.716 3.389 -5.327 1.00 0.00 H new ATOM 997 N VAL A 69 6.930 3.278 -5.980 1.00 0.00 N ATOM 998 CA VAL A 69 8.226 2.741 -5.619 1.00 0.00 C ATOM 999 C VAL A 69 9.276 3.864 -5.507 1.00 0.00 C ATOM 1000 O VAL A 69 9.826 4.332 -6.510 1.00 0.00 O ATOM 1001 CB VAL A 69 8.709 1.666 -6.639 1.00 0.00 C ATOM 1002 CG1 VAL A 69 10.050 1.061 -6.220 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.661 0.573 -6.818 1.00 0.00 C ATOM 0 H VAL A 69 6.551 2.877 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 69 8.113 2.262 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 69 8.851 2.165 -7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.358 0.315 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.803 1.848 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.947 0.588 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.023 -0.164 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.475 0.087 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.735 1.014 -7.187 1.00 0.00 H new ATOM 1013 N GLY A 70 9.457 4.347 -4.301 1.00 0.00 N ATOM 1014 CA GLY A 70 10.466 5.338 -4.025 1.00 0.00 C ATOM 1015 C GLY A 70 9.879 6.707 -3.758 1.00 0.00 C ATOM 1016 O GLY A 70 10.537 7.725 -3.993 1.00 0.00 O ATOM 0 H GLY A 70 8.911 4.065 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.052 5.023 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.151 5.399 -4.871 1.00 0.00 H new ATOM 1020 N VAL A 71 8.657 6.750 -3.266 1.00 0.00 N ATOM 1021 CA VAL A 71 8.010 8.045 -2.990 1.00 0.00 C ATOM 1022 C VAL A 71 7.955 8.346 -1.496 1.00 0.00 C ATOM 1023 O VAL A 71 8.337 7.515 -0.662 1.00 0.00 O ATOM 1024 CB VAL A 71 6.572 8.150 -3.570 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.567 7.893 -5.067 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.614 7.216 -2.834 1.00 0.00 C ATOM 0 H VAL A 71 8.091 5.930 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 71 8.637 8.781 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 71 6.218 9.169 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.548 7.973 -5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.198 8.629 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.951 6.892 -5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.615 7.310 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.958 6.187 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.584 7.484 -1.778 1.00 0.00 H new ATOM 1036 N THR A 72 7.463 9.519 -1.181 1.00 0.00 N ATOM 1037 CA THR A 72 7.311 9.979 0.170 1.00 0.00 C ATOM 1038 C THR A 72 5.930 9.657 0.687 1.00 0.00 C ATOM 1039 O THR A 72 5.037 9.226 -0.081 1.00 0.00 O ATOM 1040 CB THR A 72 7.512 11.488 0.218 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.781 12.086 -0.863 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.977 11.844 0.134 1.00 0.00 C ATOM 0 H THR A 72 7.150 10.195 -1.878 1.00 0.00 H new ATOM 0 HA THR A 72 8.053 9.478 0.792 1.00 0.00 H new ATOM 0 HB THR A 72 7.140 11.871 1.168 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.138 12.981 -1.044 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.091 12.927 0.170 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.509 11.395 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.390 11.467 -0.802 1.00 0.00 H new ATOM 1050 N GLN A 73 5.720 9.900 1.974 1.00 0.00 N ATOM 1051 CA GLN A 73 4.442 9.607 2.580 1.00 0.00 C ATOM 1052 C GLN A 73 3.350 10.507 1.999 1.00 0.00 C ATOM 1053 O GLN A 73 2.220 10.087 1.848 1.00 0.00 O ATOM 1054 CB GLN A 73 4.475 9.664 4.150 1.00 0.00 C ATOM 1055 CG GLN A 73 3.977 10.965 4.813 1.00 0.00 C ATOM 1056 CD GLN A 73 4.835 12.171 4.532 1.00 0.00 C ATOM 1057 OE1 GLN A 73 4.343 13.298 4.469 1.00 0.00 O ATOM 1058 NE2 GLN A 73 6.100 11.961 4.383 1.00 0.00 N ATOM 0 H GLN A 73 6.415 10.295 2.608 1.00 0.00 H new ATOM 0 HA GLN A 73 4.202 8.573 2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.875 8.838 4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.501 9.490 4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.962 11.168 4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.926 10.813 5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.470 11.012 4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.730 12.744 4.206 1.00 0.00 H new ATOM 1067 N ASN A 74 3.723 11.719 1.601 1.00 0.00 N ATOM 1068 CA ASN A 74 2.747 12.667 1.085 1.00 0.00 C ATOM 1069 C ASN A 74 2.301 12.271 -0.314 1.00 0.00 C ATOM 1070 O ASN A 74 1.190 12.604 -0.736 1.00 0.00 O ATOM 1071 CB ASN A 74 3.249 14.132 1.117 1.00 0.00 C ATOM 1072 CG ASN A 74 4.373 14.420 0.142 1.00 0.00 C ATOM 1073 OD1 ASN A 74 4.125 14.722 -1.018 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.594 14.406 0.602 1.00 0.00 N ATOM 0 H ASN A 74 4.683 12.063 1.626 1.00 0.00 H new ATOM 0 HA ASN A 74 1.887 12.625 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.413 14.797 0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.588 14.367 2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.372 14.651 -0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.770 14.150 1.574 1.00 0.00 H new ATOM 1081 N PHE A 75 3.155 11.558 -1.045 1.00 0.00 N ATOM 1082 CA PHE A 75 2.772 11.064 -2.351 1.00 0.00 C ATOM 1083 C PHE A 75 1.845 9.894 -2.154 1.00 0.00 C ATOM 1084 O PHE A 75 0.726 9.874 -2.673 1.00 0.00 O ATOM 1085 CB PHE A 75 3.985 10.605 -3.172 1.00 0.00 C ATOM 1086 CG PHE A 75 3.642 10.219 -4.610 1.00 0.00 C ATOM 1087 CD1 PHE A 75 3.137 8.948 -4.934 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.818 11.129 -5.628 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.828 8.623 -6.243 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.510 10.804 -6.934 1.00 0.00 C ATOM 1091 CZ PHE A 75 3.015 9.552 -7.240 1.00 0.00 C ATOM 0 H PHE A 75 4.102 11.316 -0.754 1.00 0.00 H new ATOM 0 HA PHE A 75 2.289 11.873 -2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.726 11.404 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.446 9.751 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.989 8.217 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.203 12.112 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.441 7.643 -6.481 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.657 11.531 -7.719 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.774 9.302 -8.263 1.00 0.00 H new ATOM 1101 N ALA A 76 2.313 8.942 -1.362 1.00 0.00 N ATOM 1102 CA ALA A 76 1.590 7.714 -1.102 1.00 0.00 C ATOM 1103 C ALA A 76 0.212 7.976 -0.518 1.00 0.00 C ATOM 1104 O ALA A 76 -0.775 7.459 -1.028 1.00 0.00 O ATOM 1105 CB ALA A 76 2.395 6.811 -0.203 1.00 0.00 C ATOM 0 H ALA A 76 3.210 9.003 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 76 1.439 7.212 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.838 5.893 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.343 6.570 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.587 7.317 0.743 1.00 0.00 H new ATOM 1111 N ALA A 77 0.140 8.823 0.510 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.133 9.163 1.160 1.00 0.00 C ATOM 1113 C ALA A 77 -2.128 9.699 0.142 1.00 0.00 C ATOM 1114 O ALA A 77 -3.305 9.383 0.197 1.00 0.00 O ATOM 1115 CB ALA A 77 -0.922 10.172 2.277 1.00 0.00 C ATOM 0 H ALA A 77 0.952 9.290 0.914 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.541 8.252 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.880 10.406 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.249 9.752 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.485 11.083 1.867 1.00 0.00 H new ATOM 1121 N THR A 78 -1.621 10.459 -0.817 1.00 0.00 N ATOM 1122 CA THR A 78 -2.418 11.011 -1.887 1.00 0.00 C ATOM 1123 C THR A 78 -2.972 9.895 -2.789 1.00 0.00 C ATOM 1124 O THR A 78 -4.153 9.907 -3.137 1.00 0.00 O ATOM 1125 CB THR A 78 -1.581 12.008 -2.712 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.174 13.101 -1.879 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.338 12.525 -3.923 1.00 0.00 C ATOM 0 H THR A 78 -0.633 10.709 -0.869 1.00 0.00 H new ATOM 0 HA THR A 78 -3.264 11.541 -1.449 1.00 0.00 H new ATOM 0 HB THR A 78 -0.703 11.479 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.266 12.939 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.709 13.224 -4.474 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.604 11.689 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.245 13.033 -3.595 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.132 8.932 -3.142 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.553 7.805 -3.979 1.00 0.00 C ATOM 1137 C VAL A 79 -3.634 7.011 -3.270 1.00 0.00 C ATOM 1138 O VAL A 79 -4.711 6.787 -3.817 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.396 6.843 -4.313 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -1.869 5.781 -5.297 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.221 7.608 -4.864 1.00 0.00 C ATOM 0 H VAL A 79 -1.151 8.904 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.922 8.234 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.073 6.344 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.045 5.106 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.689 5.215 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.212 6.261 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.588 6.915 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.521 8.131 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.121 8.332 -4.124 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.359 6.644 -2.028 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.301 5.883 -1.215 1.00 0.00 C ATOM 1153 C LEU A 80 -5.583 6.687 -0.940 1.00 0.00 C ATOM 1154 O LEU A 80 -6.614 6.124 -0.634 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.661 5.368 0.109 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.645 4.180 0.031 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.233 2.989 -0.681 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.329 4.563 -0.607 1.00 0.00 C ATOM 0 H LEU A 80 -2.482 6.863 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.576 5.003 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.153 6.209 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.471 5.070 0.775 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.438 3.908 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.497 2.185 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.120 2.647 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.508 3.272 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.670 3.695 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.506 4.912 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.861 5.358 -0.027 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.503 7.996 -1.081 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.651 8.885 -0.913 1.00 0.00 C ATOM 1172 C ARG A 81 -7.436 9.025 -2.231 1.00 0.00 C ATOM 1173 O ARG A 81 -8.631 9.296 -2.229 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.157 10.257 -0.359 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.172 11.396 -0.268 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.309 12.144 -1.583 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.306 13.210 -1.494 1.00 0.00 N ATOM 1178 CZ ARG A 81 -9.199 13.509 -2.441 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -9.282 12.764 -3.544 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -10.026 14.533 -2.270 1.00 0.00 N ATOM 0 H ARG A 81 -4.638 8.482 -1.317 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.347 8.460 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.752 10.089 0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.331 10.594 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.142 10.994 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.867 12.091 0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.345 12.569 -1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.591 11.446 -2.372 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.321 13.769 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.662 11.963 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.965 12.995 -4.265 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.979 15.090 -1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.709 14.763 -2.992 1.00 0.00 H new ATOM 1194 N ASN A 82 -6.763 8.823 -3.341 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.388 8.961 -4.666 1.00 0.00 C ATOM 1196 C ASN A 82 -8.010 7.684 -5.150 1.00 0.00 C ATOM 1197 O ASN A 82 -8.502 7.601 -6.277 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.407 9.487 -5.703 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.364 10.986 -5.704 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.108 11.641 -6.423 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -5.538 11.545 -4.888 1.00 0.00 N ATOM 0 H ASN A 82 -5.778 8.561 -3.367 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.187 9.692 -4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.412 9.093 -5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.694 9.129 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.491 12.562 -4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.932 10.970 -4.303 1.00 0.00 H new ATOM 1208 N THR A 83 -7.970 6.695 -4.317 1.00 0.00 N ATOM 1209 CA THR A 83 -8.560 5.422 -4.601 1.00 0.00 C ATOM 1210 C THR A 83 -10.105 5.472 -4.519 1.00 0.00 C ATOM 1211 O THR A 83 -10.715 6.527 -4.252 1.00 0.00 O ATOM 1212 CB THR A 83 -8.032 4.378 -3.613 1.00 0.00 C ATOM 1213 OG1 THR A 83 -8.241 4.869 -2.287 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.547 4.109 -3.839 1.00 0.00 C ATOM 0 H THR A 83 -7.519 6.748 -3.404 1.00 0.00 H new ATOM 0 HA THR A 83 -8.286 5.149 -5.620 1.00 0.00 H new ATOM 0 HB THR A 83 -8.565 3.439 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.417 5.287 -1.959 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.199 3.364 -3.123 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.395 3.738 -4.852 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.985 5.033 -3.703 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.701 4.331 -4.735 1.00 0.00 N ATOM 1223 CA LYS A 84 -12.124 4.117 -4.732 1.00 0.00 C ATOM 1224 C LYS A 84 -12.349 2.635 -4.531 1.00 0.00 C ATOM 1225 O LYS A 84 -11.410 1.973 -4.131 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.789 4.683 -6.027 1.00 0.00 C ATOM 1227 CG LYS A 84 -11.986 4.544 -7.336 1.00 0.00 C ATOM 1228 CD LYS A 84 -11.807 3.113 -7.814 1.00 0.00 C ATOM 1229 CE LYS A 84 -10.968 3.089 -9.084 1.00 0.00 C ATOM 1230 NZ LYS A 84 -10.840 1.738 -9.663 1.00 0.00 N ATOM 0 H LYS A 84 -10.178 3.477 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.606 4.662 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.749 4.185 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.999 5.741 -5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.487 5.115 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.003 4.992 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.324 2.519 -7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.780 2.660 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.416 3.754 -9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.975 3.480 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.988 1.694 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.764 1.038 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.678 1.528 -10.243 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.565 2.149 -4.776 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.928 0.738 -4.624 1.00 0.00 C ATOM 1246 C GLY A 85 -12.870 -0.256 -5.080 1.00 0.00 C ATOM 1247 O GLY A 85 -12.163 -0.812 -4.255 1.00 0.00 O ATOM 0 H GLY A 85 -14.340 2.733 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.153 0.548 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.844 0.552 -5.185 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.746 -0.478 -6.364 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.772 -1.461 -6.850 1.00 0.00 C ATOM 1253 C ASN A 86 -10.388 -0.872 -6.916 1.00 0.00 C ATOM 1254 O ASN A 86 -10.133 0.063 -7.683 1.00 0.00 O ATOM 1255 CB ASN A 86 -12.158 -2.067 -8.205 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.458 -2.842 -8.153 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.535 -2.302 -8.418 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -13.387 -4.104 -7.807 1.00 0.00 N ATOM 0 H ASN A 86 -13.288 -0.010 -7.090 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.776 -2.273 -6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.245 -1.269 -8.943 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.360 -2.728 -8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.236 -4.666 -7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.482 -4.524 -7.593 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.504 -1.397 -6.106 1.00 0.00 N ATOM 1266 CA VAL A 87 -8.137 -0.919 -6.046 1.00 0.00 C ATOM 1267 C VAL A 87 -7.200 -2.058 -6.290 1.00 0.00 C ATOM 1268 O VAL A 87 -7.441 -3.157 -5.820 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.762 -0.401 -4.652 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.574 0.547 -4.711 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.931 0.181 -3.915 1.00 0.00 C ATOM 0 H VAL A 87 -9.706 -2.167 -5.468 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.061 -0.124 -6.788 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.450 -1.266 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.336 0.895 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.713 0.025 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.821 1.401 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.606 0.531 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.339 1.018 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.699 -0.582 -3.791 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.158 -1.810 -7.016 1.00 0.00 N ATOM 1282 CA ARG A 88 -5.104 -2.768 -7.164 1.00 0.00 C ATOM 1283 C ARG A 88 -3.948 -2.431 -6.271 1.00 0.00 C ATOM 1284 O ARG A 88 -3.170 -1.509 -6.557 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.655 -2.887 -8.597 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.514 -3.824 -9.392 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.119 -3.841 -10.838 1.00 0.00 C ATOM 1288 NE ARG A 88 -3.665 -4.012 -11.047 1.00 0.00 N ATOM 1289 CZ ARG A 88 -3.088 -5.041 -11.685 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -3.774 -6.157 -11.927 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -1.798 -4.973 -12.022 1.00 0.00 N ATOM 0 H ARG A 88 -6.011 -0.938 -7.524 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.501 -3.738 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.671 -1.901 -9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.622 -3.235 -8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.434 -4.830 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.559 -3.525 -9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.649 -4.649 -11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.439 -2.910 -11.305 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.050 -3.288 -10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.746 -6.234 -11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.328 -6.935 -12.413 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.255 -4.140 -11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.356 -5.754 -12.507 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.872 -3.123 -5.165 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.779 -2.967 -4.249 1.00 0.00 C ATOM 1307 C PHE A 89 -1.744 -3.983 -4.594 1.00 0.00 C ATOM 1308 O PHE A 89 -1.926 -5.152 -4.331 1.00 0.00 O ATOM 1309 CB PHE A 89 -3.211 -3.206 -2.802 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.253 -2.287 -2.292 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.903 -1.066 -1.769 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.583 -2.645 -2.324 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.853 -0.211 -1.282 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.543 -1.789 -1.838 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.175 -0.570 -1.317 1.00 0.00 C ATOM 0 H PHE A 89 -4.568 -3.811 -4.876 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.402 -1.948 -4.331 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.578 -4.229 -2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.334 -3.126 -2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.863 -0.777 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.873 -3.602 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.562 0.744 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.585 -2.073 -1.865 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.928 0.104 -0.936 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.695 -3.579 -5.194 1.00 0.00 N ATOM 1326 CA VAL A 90 0.335 -4.497 -5.514 1.00 0.00 C ATOM 1327 C VAL A 90 1.342 -4.400 -4.403 1.00 0.00 C ATOM 1328 O VAL A 90 2.192 -3.537 -4.393 1.00 0.00 O ATOM 1329 CB VAL A 90 0.987 -4.209 -6.879 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.012 -5.283 -7.242 1.00 0.00 C ATOM 1331 CG2 VAL A 90 -0.069 -4.078 -7.966 1.00 0.00 C ATOM 0 H VAL A 90 -0.521 -2.615 -5.477 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.075 -5.503 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 90 1.515 -3.259 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.454 -5.051 -8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.794 -5.311 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.520 -6.254 -7.291 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.415 -3.875 -8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.635 -5.007 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.745 -3.259 -7.720 1.00 0.00 H new ATOM 1341 N ILE A 91 1.080 -5.150 -3.401 1.00 0.00 N ATOM 1342 CA ILE A 91 1.874 -5.251 -2.216 1.00 0.00 C ATOM 1343 C ILE A 91 2.648 -6.564 -2.240 1.00 0.00 C ATOM 1344 O ILE A 91 2.317 -7.461 -2.999 1.00 0.00 O ATOM 1345 CB ILE A 91 0.892 -5.190 -1.014 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.280 -3.797 -0.949 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.512 -5.591 0.326 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.806 -3.666 0.049 1.00 0.00 C ATOM 0 H ILE A 91 0.256 -5.751 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 91 2.603 -4.445 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 91 0.118 -5.937 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.064 -3.077 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.110 -3.536 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.759 -5.521 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.878 -6.616 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.341 -4.923 0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.191 -2.646 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.610 -4.361 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.418 -3.894 1.041 1.00 0.00 H new ATOM 1360 N GLY A 92 3.685 -6.659 -1.465 1.00 0.00 N ATOM 1361 CA GLY A 92 4.399 -7.872 -1.401 1.00 0.00 C ATOM 1362 C GLY A 92 4.446 -8.384 0.010 1.00 0.00 C ATOM 1363 O GLY A 92 4.397 -7.597 0.954 1.00 0.00 O ATOM 0 H GLY A 92 4.045 -5.909 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.927 -8.613 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.413 -7.724 -1.774 1.00 0.00 H new ATOM 1367 N ARG A 93 4.563 -9.670 0.155 1.00 0.00 N ATOM 1368 CA ARG A 93 4.539 -10.294 1.467 1.00 0.00 C ATOM 1369 C ARG A 93 5.933 -10.526 2.018 1.00 0.00 C ATOM 1370 O ARG A 93 6.774 -11.164 1.370 1.00 0.00 O ATOM 1371 CB ARG A 93 3.761 -11.620 1.414 1.00 0.00 C ATOM 1372 CG ARG A 93 3.634 -12.379 2.737 1.00 0.00 C ATOM 1373 CD ARG A 93 2.917 -11.562 3.800 1.00 0.00 C ATOM 1374 NE ARG A 93 1.613 -11.050 3.347 1.00 0.00 N ATOM 1375 CZ ARG A 93 1.088 -9.887 3.762 1.00 0.00 C ATOM 1376 NH1 ARG A 93 1.635 -9.256 4.786 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -0.011 -9.391 3.193 1.00 0.00 N ATOM 0 H ARG A 93 4.678 -10.323 -0.620 1.00 0.00 H new ATOM 0 HA ARG A 93 4.033 -9.605 2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.759 -11.415 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.246 -12.273 0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.092 -13.310 2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.627 -12.648 3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.771 -12.178 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.549 -10.724 4.094 1.00 0.00 H new ATOM 0 HE ARG A 93 1.080 -11.610 2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.449 -9.654 5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.243 -8.371 5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.464 -9.897 2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.399 -8.506 3.519 1.00 0.00 H new ATOM 1391 N GLU A 94 6.169 -9.978 3.176 1.00 0.00 N ATOM 1392 CA GLU A 94 7.366 -10.208 3.941 1.00 0.00 C ATOM 1393 C GLU A 94 6.941 -10.541 5.350 1.00 0.00 C ATOM 1394 O GLU A 94 6.991 -11.704 5.739 1.00 0.00 O ATOM 1395 CB GLU A 94 8.278 -8.984 3.966 1.00 0.00 C ATOM 1396 CG GLU A 94 8.833 -8.573 2.626 1.00 0.00 C ATOM 1397 CD GLU A 94 9.799 -7.436 2.750 1.00 0.00 C ATOM 1398 OE1 GLU A 94 10.994 -7.690 3.046 1.00 0.00 O ATOM 1399 OE2 GLU A 94 9.395 -6.273 2.572 1.00 0.00 O ATOM 0 H GLU A 94 5.515 -9.339 3.629 1.00 0.00 H new ATOM 0 HA GLU A 94 7.931 -11.019 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.723 -8.145 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.110 -9.184 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.331 -9.424 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.015 -8.284 1.966 1.00 0.00 H new TER 1406 GLU A 94