USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 MET CE :methyl 177:sc= -2.01! (180deg=-2.08!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 166:sc= -4.3! (180deg=-3.91!) USER MOD Set 2.2: A 52 SER OG : rot 168:sc= -1.42! USER MOD Set 3.1: A 34 ASN : amide:sc= -4.87! C(o=-5.8!,f=-8.4!) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.898 K(o=-5.8,f=-12!) USER MOD Set 4.1: A 12 THR OG1 : rot 170:sc= 0.192 USER MOD Set 4.2: A 15 HIS : no HD1:sc= -24! C(o=-24!,f=-31!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -10.9! (180deg=-11.2!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -20.1! C(o=-20!,f=-13!) USER MOD Single : A 20 THR OG1 : rot 105:sc= -0.0149! USER MOD Single : A 24 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -53:sc= -0.802 USER MOD Single : A 28 LYS NZ :NH3+ -95:sc= 0.812 (180deg=-1.58!) USER MOD Single : A 30 ASN : amide:sc= -0.0707 K(o=-0.071,f=-1.7!) USER MOD Single : A 31 SER OG : rot 110:sc= -4.7! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -12:sc= 0.835 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 167:sc= -2.7 (180deg=-3.78!) USER MOD Single : A 57 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.96) USER MOD Single : A 59 SER OG : rot 180:sc= -0.661 USER MOD Single : A 62 THR OG1 : rot 73:sc= -8.92! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0906 USER MOD Single : A 74 MET CE :methyl -164:sc= -3.61! (180deg=-4.74!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -9.54! C(o=-9.5!,f=-11!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.820 -11.273 -7.525 1.00 1.00 N ATOM 2 CA MET A 1 -1.322 -11.703 -8.819 1.00 1.00 C ATOM 3 C MET A 1 -1.612 -10.502 -9.722 1.00 1.00 C ATOM 4 O MET A 1 -1.560 -10.614 -10.946 1.00 1.00 O ATOM 5 CB MET A 1 -2.603 -12.518 -8.625 1.00 1.00 C ATOM 6 CG MET A 1 -2.457 -13.500 -7.461 1.00 1.00 C ATOM 7 SD MET A 1 -3.395 -14.982 -7.791 1.00 1.00 S ATOM 8 CE MET A 1 -2.084 -16.062 -8.340 1.00 1.00 C ATOM 0 H1 MET A 1 -0.457 -12.096 -7.002 1.00 1.00 H new ATOM 0 H2 MET A 1 -0.053 -10.584 -7.662 1.00 1.00 H new ATOM 0 H3 MET A 1 -1.590 -10.831 -6.983 1.00 1.00 H new ATOM 0 HA MET A 1 -0.559 -12.317 -9.298 1.00 1.00 H new ATOM 0 HB2 MET A 1 -3.440 -11.846 -8.436 1.00 1.00 H new ATOM 0 HB3 MET A 1 -2.833 -13.064 -9.540 1.00 1.00 H new ATOM 0 HG2 MET A 1 -1.406 -13.750 -7.315 1.00 1.00 H new ATOM 0 HG3 MET A 1 -2.806 -13.037 -6.538 1.00 1.00 H new ATOM 0 HE1 MET A 1 -2.498 -17.039 -8.589 1.00 1.00 H new ATOM 0 HE2 MET A 1 -1.606 -15.635 -9.222 1.00 1.00 H new ATOM 0 HE3 MET A 1 -1.347 -16.172 -7.545 1.00 1.00 H new ATOM 18 N GLU A 2 -1.911 -9.381 -9.083 1.00 1.00 N ATOM 19 CA GLU A 2 -2.210 -8.161 -9.813 1.00 1.00 C ATOM 20 C GLU A 2 -1.798 -6.937 -8.992 1.00 1.00 C ATOM 21 O GLU A 2 -1.498 -7.054 -7.805 1.00 1.00 O ATOM 22 CB GLU A 2 -3.691 -8.095 -10.189 1.00 1.00 C ATOM 23 CG GLU A 2 -4.149 -9.400 -10.843 1.00 1.00 C ATOM 24 CD GLU A 2 -5.569 -9.266 -11.399 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.406 -8.679 -10.682 1.00 1.00 O ATOM 26 OE2 GLU A 2 -5.783 -9.753 -12.530 1.00 1.00 O ATOM 0 H GLU A 2 -1.953 -9.292 -8.068 1.00 1.00 H new ATOM 0 HA GLU A 2 -1.634 -8.165 -10.739 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.288 -7.902 -9.298 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -3.860 -7.263 -10.872 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -3.464 -9.668 -11.647 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.115 -10.208 -10.113 1.00 1.00 H new ATOM 33 N LYS A 3 -1.796 -5.791 -9.657 1.00 1.00 N ATOM 34 CA LYS A 3 -1.426 -4.547 -9.004 1.00 1.00 C ATOM 35 C LYS A 3 -2.592 -3.561 -9.097 1.00 1.00 C ATOM 36 O LYS A 3 -3.170 -3.376 -10.166 1.00 1.00 O ATOM 37 CB LYS A 3 -0.117 -4.007 -9.583 1.00 1.00 C ATOM 38 CG LYS A 3 -0.351 -2.702 -10.346 1.00 1.00 C ATOM 39 CD LYS A 3 0.861 -2.346 -11.209 1.00 1.00 C ATOM 40 CE LYS A 3 1.026 -3.342 -12.359 1.00 1.00 C ATOM 41 NZ LYS A 3 1.615 -2.674 -13.542 1.00 1.00 N ATOM 0 H LYS A 3 -2.045 -5.698 -10.642 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.234 -4.715 -7.944 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.598 -3.838 -8.778 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.323 -4.748 -10.250 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.235 -2.799 -10.976 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.549 -1.895 -9.641 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.744 -1.339 -11.609 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.761 -2.342 -10.594 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.665 -4.167 -12.044 1.00 1.00 H new ATOM 0 HE3 LYS A 3 0.058 -3.769 -12.620 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 1.720 -3.364 -14.313 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 0.991 -1.901 -13.851 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 2.548 -2.287 -13.294 1.00 1.00 H new ATOM 55 N LYS A 4 -2.903 -2.953 -7.961 1.00 1.00 N ATOM 56 CA LYS A 4 -3.989 -1.990 -7.900 1.00 1.00 C ATOM 57 C LYS A 4 -3.421 -0.606 -7.580 1.00 1.00 C ATOM 58 O LYS A 4 -2.943 -0.369 -6.472 1.00 1.00 O ATOM 59 CB LYS A 4 -5.064 -2.457 -6.916 1.00 1.00 C ATOM 60 CG LYS A 4 -6.383 -1.719 -7.155 1.00 1.00 C ATOM 61 CD LYS A 4 -7.055 -2.199 -8.443 1.00 1.00 C ATOM 62 CE LYS A 4 -8.321 -1.392 -8.734 1.00 1.00 C ATOM 63 NZ LYS A 4 -9.055 -1.974 -9.880 1.00 1.00 N ATOM 0 H LYS A 4 -2.421 -3.109 -7.076 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.486 -1.914 -8.867 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.219 -3.531 -7.024 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.726 -2.284 -5.894 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -7.052 -1.880 -6.310 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -6.198 -0.647 -7.215 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.360 -2.105 -9.277 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.306 -3.256 -8.355 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.962 -1.380 -7.853 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -8.058 -0.357 -8.951 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.912 -1.414 -10.064 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.447 -1.963 -10.723 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.323 -2.954 -9.659 1.00 1.00 H new ATOM 77 N GLU A 5 -3.493 0.271 -8.571 1.00 1.00 N ATOM 78 CA GLU A 5 -2.992 1.625 -8.408 1.00 1.00 C ATOM 79 C GLU A 5 -4.039 2.500 -7.717 1.00 1.00 C ATOM 80 O GLU A 5 -5.233 2.210 -7.778 1.00 1.00 O ATOM 81 CB GLU A 5 -2.581 2.223 -9.756 1.00 1.00 C ATOM 82 CG GLU A 5 -1.711 1.245 -10.547 1.00 1.00 C ATOM 83 CD GLU A 5 -2.517 0.568 -11.657 1.00 1.00 C ATOM 84 OE1 GLU A 5 -3.676 0.196 -11.371 1.00 1.00 O ATOM 85 OE2 GLU A 5 -1.957 0.438 -12.767 1.00 1.00 O ATOM 0 H GLU A 5 -3.890 0.070 -9.489 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.104 1.589 -7.777 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.471 2.473 -10.334 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -2.035 3.152 -9.594 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.863 1.776 -10.980 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.304 0.489 -9.875 1.00 1.00 H new ATOM 92 N PHE A 6 -3.555 3.552 -7.074 1.00 1.00 N ATOM 93 CA PHE A 6 -4.434 4.470 -6.371 1.00 1.00 C ATOM 94 C PHE A 6 -3.766 5.834 -6.184 1.00 1.00 C ATOM 95 O PHE A 6 -2.651 6.053 -6.654 1.00 1.00 O ATOM 96 CB PHE A 6 -4.714 3.859 -4.997 1.00 1.00 C ATOM 97 CG PHE A 6 -5.364 2.475 -5.052 1.00 1.00 C ATOM 98 CD1 PHE A 6 -6.686 2.356 -5.347 1.00 1.00 C ATOM 99 CD2 PHE A 6 -4.619 1.364 -4.805 1.00 1.00 C ATOM 100 CE1 PHE A 6 -7.289 1.071 -5.398 1.00 1.00 C ATOM 101 CE2 PHE A 6 -5.222 0.079 -4.856 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.544 -0.040 -5.152 1.00 1.00 C ATOM 0 H PHE A 6 -2.564 3.789 -7.025 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.350 4.619 -6.943 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.777 3.787 -4.445 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.363 4.532 -4.437 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -7.277 3.238 -5.542 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -3.569 1.459 -4.570 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -8.339 0.976 -5.632 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -4.631 -0.803 -4.660 1.00 1.00 H new ATOM 0 HZ PHE A 6 -7.002 -1.017 -5.192 1.00 1.00 H new ATOM 112 N HIS A 7 -4.477 6.715 -5.495 1.00 1.00 N ATOM 113 CA HIS A 7 -3.967 8.052 -5.240 1.00 1.00 C ATOM 114 C HIS A 7 -4.363 8.491 -3.829 1.00 1.00 C ATOM 115 O HIS A 7 -5.508 8.311 -3.417 1.00 1.00 O ATOM 116 CB HIS A 7 -4.437 9.029 -6.319 1.00 1.00 C ATOM 117 CG HIS A 7 -4.765 10.408 -5.799 1.00 1.00 C ATOM 118 ND1 HIS A 7 -4.217 11.561 -6.333 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.590 10.806 -4.788 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.697 12.600 -5.667 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.547 12.130 -4.709 1.00 1.00 N ATOM 0 H HIS A 7 -5.401 6.529 -5.106 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.878 8.045 -5.289 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.661 9.114 -7.080 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.320 8.617 -6.808 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -6.178 10.154 -4.159 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.458 13.637 -5.850 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -6.064 12.702 -4.042 1.00 1.00 H new ATOM 129 N ILE A 8 -3.394 9.060 -3.126 1.00 1.00 N ATOM 130 CA ILE A 8 -3.628 9.527 -1.770 1.00 1.00 C ATOM 131 C ILE A 8 -4.682 10.636 -1.792 1.00 1.00 C ATOM 132 O ILE A 8 -4.545 11.613 -2.526 1.00 1.00 O ATOM 133 CB ILE A 8 -2.311 9.943 -1.113 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.303 8.792 -1.128 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.549 10.478 0.301 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.014 7.439 -1.070 1.00 1.00 C ATOM 0 H ILE A 8 -2.445 9.208 -3.470 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.025 8.722 -1.152 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.880 10.756 -1.697 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.695 8.849 -2.031 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.625 8.887 -0.280 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.597 10.767 0.746 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.206 11.346 0.256 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.014 9.703 0.910 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.274 6.638 -1.082 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.602 7.376 -0.154 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.673 7.337 -1.932 1.00 1.00 H new ATOM 148 N VAL A 9 -5.710 10.447 -0.978 1.00 1.00 N ATOM 149 CA VAL A 9 -6.786 11.419 -0.894 1.00 1.00 C ATOM 150 C VAL A 9 -6.913 11.910 0.550 1.00 1.00 C ATOM 151 O VAL A 9 -7.822 12.674 0.872 1.00 1.00 O ATOM 152 CB VAL A 9 -8.083 10.812 -1.435 1.00 1.00 C ATOM 153 CG1 VAL A 9 -8.018 10.647 -2.955 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.391 9.479 -0.752 1.00 1.00 C ATOM 0 H VAL A 9 -5.820 9.635 -0.371 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.565 12.287 -1.515 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.896 11.501 -1.207 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.952 10.214 -3.314 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.867 11.621 -3.421 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.189 9.988 -3.214 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.317 9.069 -1.155 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.575 8.780 -0.935 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.500 9.637 0.321 1.00 1.00 H new ATOM 164 N ALA A 10 -5.990 11.450 1.381 1.00 1.00 N ATOM 165 CA ALA A 10 -5.987 11.833 2.783 1.00 1.00 C ATOM 166 C ALA A 10 -5.324 13.204 2.931 1.00 1.00 C ATOM 167 O ALA A 10 -5.512 13.882 3.940 1.00 1.00 O ATOM 168 CB ALA A 10 -5.282 10.752 3.605 1.00 1.00 C ATOM 0 H ALA A 10 -5.239 10.815 1.111 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.006 11.917 3.161 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.279 11.038 4.657 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -5.809 9.805 3.488 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.255 10.642 3.256 1.00 1.00 H new ATOM 174 N GLU A 11 -4.561 13.570 1.911 1.00 1.00 N ATOM 175 CA GLU A 11 -3.869 14.848 1.916 1.00 1.00 C ATOM 176 C GLU A 11 -3.185 15.076 3.265 1.00 1.00 C ATOM 177 O GLU A 11 -2.833 16.205 3.604 1.00 1.00 O ATOM 178 CB GLU A 11 -4.830 15.993 1.588 1.00 1.00 C ATOM 179 CG GLU A 11 -5.894 16.145 2.678 1.00 1.00 C ATOM 180 CD GLU A 11 -6.658 17.461 2.517 1.00 1.00 C ATOM 181 OE1 GLU A 11 -7.239 17.650 1.426 1.00 1.00 O ATOM 182 OE2 GLU A 11 -6.645 18.247 3.489 1.00 1.00 O ATOM 0 H GLU A 11 -4.407 13.004 1.076 1.00 1.00 H new ATOM 0 HA GLU A 11 -3.103 14.827 1.141 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -4.272 16.924 1.487 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.312 15.805 0.628 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.590 15.308 2.631 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.422 16.112 3.660 1.00 1.00 H new ATOM 189 N THR A 12 -3.016 13.986 3.999 1.00 1.00 N ATOM 190 CA THR A 12 -2.380 14.053 5.303 1.00 1.00 C ATOM 191 C THR A 12 -0.857 14.076 5.154 1.00 1.00 C ATOM 192 O THR A 12 -0.208 15.053 5.526 1.00 1.00 O ATOM 193 CB THR A 12 -2.890 12.878 6.139 1.00 1.00 C ATOM 194 OG1 THR A 12 -3.159 13.450 7.416 1.00 1.00 O ATOM 195 CG2 THR A 12 -1.800 11.840 6.418 1.00 1.00 C ATOM 0 H THR A 12 -3.309 13.051 3.715 1.00 1.00 H new ATOM 0 HA THR A 12 -2.639 14.976 5.821 1.00 1.00 H new ATOM 0 HB THR A 12 -3.722 12.400 5.622 1.00 1.00 H new ATOM 0 HG1 THR A 12 -3.642 12.801 7.970 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.215 11.028 7.015 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.426 11.443 5.474 1.00 1.00 H new ATOM 0 HG23 THR A 12 -0.982 12.309 6.964 1.00 1.00 H new ATOM 203 N GLY A 13 -0.332 12.990 4.607 1.00 1.00 N ATOM 204 CA GLY A 13 1.102 12.873 4.404 1.00 1.00 C ATOM 205 C GLY A 13 1.574 11.437 4.639 1.00 1.00 C ATOM 206 O GLY A 13 2.755 11.202 4.894 1.00 1.00 O ATOM 0 H GLY A 13 -0.874 12.183 4.298 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.356 13.181 3.390 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.625 13.547 5.082 1.00 1.00 H new ATOM 210 N ILE A 14 0.629 10.514 4.544 1.00 1.00 N ATOM 211 CA ILE A 14 0.933 9.107 4.743 1.00 1.00 C ATOM 212 C ILE A 14 2.012 8.971 5.819 1.00 1.00 C ATOM 213 O ILE A 14 3.161 8.654 5.515 1.00 1.00 O ATOM 214 CB ILE A 14 1.303 8.446 3.414 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.060 8.212 2.554 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.092 7.155 3.645 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.982 9.308 2.786 1.00 1.00 C ATOM 0 H ILE A 14 -0.349 10.713 4.332 1.00 1.00 H new ATOM 0 HA ILE A 14 0.053 8.574 5.103 1.00 1.00 H new ATOM 0 HB ILE A 14 1.953 9.126 2.863 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.341 8.190 1.501 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.372 7.239 2.790 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.343 6.705 2.684 1.00 1.00 H new ATOM 0 HG22 ILE A 14 3.009 7.381 4.190 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.488 6.458 4.226 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.855 9.117 2.162 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.279 9.312 3.835 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.555 10.277 2.526 1.00 1.00 H new ATOM 229 N HIS A 15 1.605 9.217 7.056 1.00 1.00 N ATOM 230 CA HIS A 15 2.523 9.126 8.179 1.00 1.00 C ATOM 231 C HIS A 15 2.360 7.768 8.865 1.00 1.00 C ATOM 232 O HIS A 15 1.519 6.964 8.467 1.00 1.00 O ATOM 233 CB HIS A 15 2.326 10.302 9.137 1.00 1.00 C ATOM 234 CG HIS A 15 0.897 10.776 9.244 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.008 10.235 10.140 1.00 1.00 N ATOM 236 CD2 HIS A 15 0.226 11.746 8.558 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.168 10.858 9.992 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.021 11.793 9.010 1.00 1.00 N ATOM 0 H HIS A 15 0.651 9.479 7.305 1.00 1.00 H new ATOM 0 HA HIS A 15 3.550 9.192 7.821 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.677 10.013 10.128 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.950 11.133 8.808 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.639 12.370 7.779 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.071 10.660 10.551 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -1.750 12.425 8.678 1.00 1.00 H new ATOM 246 N ALA A 16 3.180 7.555 9.884 1.00 1.00 N ATOM 247 CA ALA A 16 3.138 6.308 10.629 1.00 1.00 C ATOM 248 C ALA A 16 1.681 5.880 10.818 1.00 1.00 C ATOM 249 O ALA A 16 1.374 4.689 10.811 1.00 1.00 O ATOM 250 CB ALA A 16 3.871 6.484 11.960 1.00 1.00 C ATOM 0 H ALA A 16 3.877 8.224 10.211 1.00 1.00 H new ATOM 0 HA ALA A 16 3.646 5.515 10.079 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.840 5.549 12.519 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.909 6.759 11.770 1.00 1.00 H new ATOM 0 HB3 ALA A 16 3.388 7.270 12.540 1.00 1.00 H new ATOM 256 N ARG A 17 0.822 6.876 10.984 1.00 1.00 N ATOM 257 CA ARG A 17 -0.595 6.618 11.175 1.00 1.00 C ATOM 258 C ARG A 17 -1.199 6.009 9.908 1.00 1.00 C ATOM 259 O ARG A 17 -1.505 4.818 9.872 1.00 1.00 O ATOM 260 CB ARG A 17 -1.347 7.904 11.522 1.00 1.00 C ATOM 261 CG ARG A 17 -1.552 8.028 13.033 1.00 1.00 C ATOM 262 CD ARG A 17 -0.210 8.123 13.763 1.00 1.00 C ATOM 263 NE ARG A 17 0.052 9.525 14.159 1.00 1.00 N ATOM 264 CZ ARG A 17 0.860 9.882 15.166 1.00 1.00 C ATOM 265 NH1 ARG A 17 1.489 8.944 15.886 1.00 1.00 N ATOM 266 NH2 ARG A 17 1.038 11.179 15.454 1.00 1.00 N ATOM 0 H ARG A 17 1.081 7.863 10.990 1.00 1.00 H new ATOM 0 HA ARG A 17 -0.696 5.917 12.003 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -0.790 8.766 11.155 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.314 7.912 11.018 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.152 8.912 13.251 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.109 7.166 13.400 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.220 7.483 14.645 1.00 1.00 H new ATOM 0 HD3 ARG A 17 0.591 7.763 13.117 1.00 1.00 H new ATOM 0 HE ARG A 17 -0.412 10.265 13.632 1.00 1.00 H new ATOM 0 HH11 ARG A 17 1.353 7.957 15.668 1.00 1.00 H new ATOM 0 HH12 ARG A 17 2.104 9.217 16.653 1.00 1.00 H new ATOM 0 HH21 ARG A 17 0.558 11.893 14.906 1.00 1.00 H new ATOM 0 HH22 ARG A 17 1.653 11.451 16.221 1.00 1.00 H new ATOM 280 N PRO A 18 -1.355 6.875 8.871 1.00 1.00 N ATOM 281 CA PRO A 18 -1.917 6.435 7.606 1.00 1.00 C ATOM 282 C PRO A 18 -0.900 5.614 6.811 1.00 1.00 C ATOM 283 O PRO A 18 -1.275 4.726 6.047 1.00 1.00 O ATOM 284 CB PRO A 18 -2.335 7.712 6.895 1.00 1.00 C ATOM 285 CG PRO A 18 -1.575 8.837 7.578 1.00 1.00 C ATOM 286 CD PRO A 18 -1.003 8.292 8.877 1.00 1.00 C ATOM 0 HA PRO A 18 -2.770 5.769 7.734 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.093 7.665 5.833 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.411 7.866 6.970 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.776 9.204 6.934 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.237 9.680 7.776 1.00 1.00 H new ATOM 0 HD2 PRO A 18 0.077 8.432 8.924 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.428 8.802 9.742 1.00 1.00 H new ATOM 294 N ALA A 19 0.367 5.940 7.017 1.00 1.00 N ATOM 295 CA ALA A 19 1.441 5.244 6.329 1.00 1.00 C ATOM 296 C ALA A 19 1.351 3.748 6.635 1.00 1.00 C ATOM 297 O ALA A 19 1.297 2.926 5.720 1.00 1.00 O ATOM 298 CB ALA A 19 2.786 5.844 6.744 1.00 1.00 C ATOM 0 H ALA A 19 0.674 6.677 7.651 1.00 1.00 H new ATOM 0 HA ALA A 19 1.348 5.366 5.250 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.592 5.322 6.228 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.810 6.901 6.479 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.915 5.737 7.821 1.00 1.00 H new ATOM 304 N THR A 20 1.338 3.439 7.923 1.00 1.00 N ATOM 305 CA THR A 20 1.255 2.056 8.360 1.00 1.00 C ATOM 306 C THR A 20 -0.144 1.495 8.095 1.00 1.00 C ATOM 307 O THR A 20 -0.293 0.321 7.761 1.00 1.00 O ATOM 308 CB THR A 20 1.663 2.000 9.834 1.00 1.00 C ATOM 309 OG1 THR A 20 2.489 3.148 10.009 1.00 1.00 O ATOM 310 CG2 THR A 20 2.591 0.823 10.140 1.00 1.00 C ATOM 0 H THR A 20 1.384 4.123 8.678 1.00 1.00 H new ATOM 0 HA THR A 20 1.938 1.422 7.795 1.00 1.00 H new ATOM 0 HB THR A 20 0.770 1.929 10.455 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.989 3.841 10.489 1.00 1.00 H new ATOM 0 HG21 THR A 20 2.850 0.830 11.199 1.00 1.00 H new ATOM 0 HG22 THR A 20 2.086 -0.112 9.896 1.00 1.00 H new ATOM 0 HG23 THR A 20 3.499 0.911 9.544 1.00 1.00 H new ATOM 318 N LEU A 21 -1.133 2.362 8.255 1.00 1.00 N ATOM 319 CA LEU A 21 -2.515 1.969 8.037 1.00 1.00 C ATOM 320 C LEU A 21 -2.593 1.049 6.817 1.00 1.00 C ATOM 321 O LEU A 21 -3.141 -0.049 6.896 1.00 1.00 O ATOM 322 CB LEU A 21 -3.414 3.202 7.936 1.00 1.00 C ATOM 323 CG LEU A 21 -4.825 2.962 7.394 1.00 1.00 C ATOM 324 CD1 LEU A 21 -5.826 3.932 8.023 1.00 1.00 C ATOM 325 CD2 LEU A 21 -4.844 3.029 5.866 1.00 1.00 C ATOM 0 H LEU A 21 -1.005 3.335 8.533 1.00 1.00 H new ATOM 0 HA LEU A 21 -2.888 1.401 8.889 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.498 3.648 8.927 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -2.921 3.935 7.298 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.133 1.955 7.676 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -6.821 3.740 7.621 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.839 3.792 9.104 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.533 4.957 7.793 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -5.858 2.855 5.507 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -4.508 4.013 5.541 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -4.180 2.266 5.460 1.00 1.00 H new ATOM 337 N LEU A 22 -2.036 1.532 5.716 1.00 1.00 N ATOM 338 CA LEU A 22 -2.036 0.767 4.480 1.00 1.00 C ATOM 339 C LEU A 22 -1.055 -0.401 4.609 1.00 1.00 C ATOM 340 O LEU A 22 -1.424 -1.553 4.387 1.00 1.00 O ATOM 341 CB LEU A 22 -1.752 1.679 3.285 1.00 1.00 C ATOM 342 CG LEU A 22 -0.543 2.607 3.422 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.605 2.148 2.521 1.00 1.00 C ATOM 344 CD2 LEU A 22 -0.934 4.062 3.155 1.00 1.00 C ATOM 0 H LEU A 22 -1.582 2.443 5.654 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.021 0.338 4.297 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.608 1.055 2.403 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.636 2.291 3.102 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.187 2.553 4.451 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.452 2.825 2.637 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.906 1.138 2.801 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.276 2.154 1.482 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.056 4.700 3.259 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.330 4.153 2.144 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.694 4.372 3.872 1.00 1.00 H new ATOM 356 N VAL A 23 0.175 -0.062 4.966 1.00 1.00 N ATOM 357 CA VAL A 23 1.211 -1.069 5.127 1.00 1.00 C ATOM 358 C VAL A 23 0.728 -2.139 6.107 1.00 1.00 C ATOM 359 O VAL A 23 0.861 -3.333 5.843 1.00 1.00 O ATOM 360 CB VAL A 23 2.520 -0.407 5.562 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.546 1.070 5.163 1.00 1.00 C ATOM 362 CG2 VAL A 23 2.746 -0.574 7.065 1.00 1.00 C ATOM 0 H VAL A 23 0.478 0.895 5.148 1.00 1.00 H new ATOM 0 HA VAL A 23 1.413 -1.565 4.178 1.00 1.00 H new ATOM 0 HB VAL A 23 3.338 -0.908 5.044 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.487 1.517 5.484 1.00 1.00 H new ATOM 0 HG12 VAL A 23 2.454 1.156 4.080 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.716 1.591 5.640 1.00 1.00 H new ATOM 0 HG21 VAL A 23 3.683 -0.094 7.348 1.00 1.00 H new ATOM 0 HG22 VAL A 23 1.923 -0.112 7.610 1.00 1.00 H new ATOM 0 HG23 VAL A 23 2.793 -1.635 7.310 1.00 1.00 H new ATOM 372 N GLN A 24 0.178 -1.674 7.219 1.00 1.00 N ATOM 373 CA GLN A 24 -0.326 -2.577 8.240 1.00 1.00 C ATOM 374 C GLN A 24 -1.367 -3.525 7.643 1.00 1.00 C ATOM 375 O GLN A 24 -1.423 -4.699 8.006 1.00 1.00 O ATOM 376 CB GLN A 24 -0.906 -1.798 9.422 1.00 1.00 C ATOM 377 CG GLN A 24 -2.218 -1.113 9.036 1.00 1.00 C ATOM 378 CD GLN A 24 -3.143 -0.976 10.248 1.00 1.00 C ATOM 379 OE1 GLN A 24 -4.218 -1.550 10.308 1.00 1.00 O ATOM 380 NE2 GLN A 24 -2.666 -0.187 11.206 1.00 1.00 N ATOM 0 H GLN A 24 0.070 -0.683 7.436 1.00 1.00 H new ATOM 0 HA GLN A 24 0.506 -3.173 8.614 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.077 -2.475 10.259 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.187 -1.051 9.758 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.009 -0.127 8.620 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.717 -1.688 8.256 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -1.758 0.263 11.091 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -3.208 -0.032 12.056 1.00 1.00 H new ATOM 389 N THR A 25 -2.167 -2.980 6.739 1.00 1.00 N ATOM 390 CA THR A 25 -3.204 -3.763 6.088 1.00 1.00 C ATOM 391 C THR A 25 -2.626 -4.529 4.896 1.00 1.00 C ATOM 392 O THR A 25 -3.151 -5.571 4.510 1.00 1.00 O ATOM 393 CB THR A 25 -4.343 -2.816 5.707 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.358 -3.087 6.671 1.00 1.00 O ATOM 395 CG2 THR A 25 -4.990 -3.186 4.371 1.00 1.00 C ATOM 0 H THR A 25 -2.118 -2.006 6.442 1.00 1.00 H new ATOM 0 HA THR A 25 -3.605 -4.523 6.759 1.00 1.00 H new ATOM 0 HB THR A 25 -3.964 -1.795 5.657 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.134 -2.514 6.499 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.792 -2.482 4.148 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.241 -3.145 3.580 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.399 -4.195 4.432 1.00 1.00 H new ATOM 403 N ALA A 26 -1.552 -3.981 4.347 1.00 1.00 N ATOM 404 CA ALA A 26 -0.896 -4.599 3.207 1.00 1.00 C ATOM 405 C ALA A 26 0.086 -5.662 3.703 1.00 1.00 C ATOM 406 O ALA A 26 0.233 -6.714 3.084 1.00 1.00 O ATOM 407 CB ALA A 26 -0.212 -3.520 2.365 1.00 1.00 C ATOM 0 H ALA A 26 -1.120 -3.116 4.670 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.625 -5.097 2.568 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.280 -3.983 1.510 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.957 -2.807 2.012 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.529 -3.000 2.972 1.00 1.00 H new ATOM 413 N SER A 27 0.734 -5.350 4.816 1.00 1.00 N ATOM 414 CA SER A 27 1.698 -6.265 5.403 1.00 1.00 C ATOM 415 C SER A 27 1.007 -7.167 6.427 1.00 1.00 C ATOM 416 O SER A 27 1.528 -7.385 7.519 1.00 1.00 O ATOM 417 CB SER A 27 2.851 -5.503 6.060 1.00 1.00 C ATOM 418 OG SER A 27 3.985 -6.337 6.279 1.00 1.00 O ATOM 0 H SER A 27 0.610 -4.476 5.327 1.00 1.00 H new ATOM 0 HA SER A 27 2.113 -6.882 4.606 1.00 1.00 H new ATOM 0 HB2 SER A 27 3.136 -4.662 5.428 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.517 -5.089 7.011 1.00 1.00 H new ATOM 0 HG SER A 27 3.711 -7.138 6.772 1.00 1.00 H new ATOM 424 N LYS A 28 -0.156 -7.669 6.037 1.00 1.00 N ATOM 425 CA LYS A 28 -0.924 -8.543 6.907 1.00 1.00 C ATOM 426 C LYS A 28 -1.682 -9.564 6.057 1.00 1.00 C ATOM 427 O LYS A 28 -2.689 -10.117 6.496 1.00 1.00 O ATOM 428 CB LYS A 28 -1.825 -7.722 7.832 1.00 1.00 C ATOM 429 CG LYS A 28 -2.655 -6.714 7.034 1.00 1.00 C ATOM 430 CD LYS A 28 -3.823 -7.403 6.326 1.00 1.00 C ATOM 431 CE LYS A 28 -4.871 -7.879 7.335 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.785 -9.345 7.518 1.00 1.00 N ATOM 0 H LYS A 28 -0.585 -7.487 5.130 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.260 -9.105 7.564 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.488 -8.388 8.385 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.215 -7.196 8.567 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.035 -5.941 7.702 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.022 -6.217 6.299 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.282 -6.713 5.618 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.454 -8.252 5.751 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.718 -7.378 8.291 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.868 -7.608 6.988 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -5.470 -9.814 6.891 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -3.824 -9.668 7.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -5.000 -9.585 8.507 1.00 1.00 H new ATOM 446 N PHE A 29 -1.168 -9.783 4.856 1.00 1.00 N ATOM 447 CA PHE A 29 -1.785 -10.729 3.940 1.00 1.00 C ATOM 448 C PHE A 29 -0.839 -11.892 3.635 1.00 1.00 C ATOM 449 O PHE A 29 0.326 -11.679 3.302 1.00 1.00 O ATOM 450 CB PHE A 29 -2.076 -9.970 2.643 1.00 1.00 C ATOM 451 CG PHE A 29 -3.025 -8.783 2.817 1.00 1.00 C ATOM 452 CD1 PHE A 29 -4.062 -8.864 3.692 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.831 -7.646 2.095 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.943 -7.762 3.853 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.712 -6.544 2.256 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.749 -6.625 3.132 1.00 1.00 C ATOM 0 H PHE A 29 -0.332 -9.323 4.496 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.692 -11.140 4.383 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -1.135 -9.612 2.225 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.505 -10.662 1.918 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.216 -9.767 4.265 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -2.007 -7.582 1.400 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.767 -7.827 4.548 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.558 -5.642 1.683 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.419 -5.787 3.255 1.00 1.00 H new ATOM 466 N ASN A 30 -1.376 -13.097 3.759 1.00 1.00 N ATOM 467 CA ASN A 30 -0.595 -14.295 3.501 1.00 1.00 C ATOM 468 C ASN A 30 0.061 -14.184 2.123 1.00 1.00 C ATOM 469 O ASN A 30 0.989 -14.928 1.811 1.00 1.00 O ATOM 470 CB ASN A 30 -1.481 -15.542 3.504 1.00 1.00 C ATOM 471 CG ASN A 30 -1.597 -16.129 4.912 1.00 1.00 C ATOM 472 OD1 ASN A 30 -1.086 -15.591 5.881 1.00 1.00 O ATOM 473 ND2 ASN A 30 -2.296 -17.259 4.971 1.00 1.00 N ATOM 0 H ASN A 30 -2.343 -13.269 4.035 1.00 1.00 H new ATOM 0 HA ASN A 30 0.155 -14.384 4.287 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -2.473 -15.289 3.129 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -1.066 -16.289 2.828 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -2.431 -17.729 5.866 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -2.697 -17.656 4.121 1.00 1.00 H new ATOM 480 N SER A 31 -0.449 -13.248 1.335 1.00 1.00 N ATOM 481 CA SER A 31 0.076 -13.030 -0.003 1.00 1.00 C ATOM 482 C SER A 31 0.947 -11.773 -0.025 1.00 1.00 C ATOM 483 O SER A 31 1.161 -11.143 1.010 1.00 1.00 O ATOM 484 CB SER A 31 -1.056 -12.910 -1.025 1.00 1.00 C ATOM 485 OG SER A 31 -2.030 -11.946 -0.632 1.00 1.00 O ATOM 0 H SER A 31 -1.219 -12.633 1.597 1.00 1.00 H new ATOM 0 HA SER A 31 0.686 -13.891 -0.276 1.00 1.00 H new ATOM 0 HB2 SER A 31 -0.642 -12.632 -1.994 1.00 1.00 H new ATOM 0 HB3 SER A 31 -1.536 -13.881 -1.150 1.00 1.00 H new ATOM 0 HG SER A 31 -1.974 -11.165 -1.222 1.00 1.00 H new ATOM 491 N ASP A 32 1.427 -11.445 -1.216 1.00 1.00 N ATOM 492 CA ASP A 32 2.270 -10.274 -1.386 1.00 1.00 C ATOM 493 C ASP A 32 1.389 -9.047 -1.625 1.00 1.00 C ATOM 494 O ASP A 32 0.255 -9.172 -2.083 1.00 1.00 O ATOM 495 CB ASP A 32 3.197 -10.434 -2.593 1.00 1.00 C ATOM 496 CG ASP A 32 4.663 -10.082 -2.334 1.00 1.00 C ATOM 497 OD1 ASP A 32 4.912 -8.906 -1.990 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.501 -10.996 -2.487 1.00 1.00 O ATOM 0 H ASP A 32 1.248 -11.970 -2.072 1.00 1.00 H new ATOM 0 HA ASP A 32 2.870 -10.156 -0.484 1.00 1.00 H new ATOM 0 HB2 ASP A 32 3.143 -11.466 -2.939 1.00 1.00 H new ATOM 0 HB3 ASP A 32 2.826 -9.806 -3.403 1.00 1.00 H new ATOM 503 N ILE A 33 1.944 -7.887 -1.303 1.00 1.00 N ATOM 504 CA ILE A 33 1.223 -6.638 -1.477 1.00 1.00 C ATOM 505 C ILE A 33 2.107 -5.476 -1.021 1.00 1.00 C ATOM 506 O ILE A 33 2.508 -5.415 0.141 1.00 1.00 O ATOM 507 CB ILE A 33 -0.130 -6.698 -0.766 1.00 1.00 C ATOM 508 CG1 ILE A 33 -1.021 -5.526 -1.184 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.050 -6.767 0.752 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.797 -4.315 -0.275 1.00 1.00 C ATOM 0 H ILE A 33 2.885 -7.787 -0.922 1.00 1.00 H new ATOM 0 HA ILE A 33 0.997 -6.472 -2.530 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.636 -7.614 -1.072 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.808 -5.254 -2.218 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.068 -5.828 -1.143 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.927 -6.809 1.233 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.620 -7.659 1.011 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.586 -5.882 1.095 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.442 -3.496 -0.594 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -1.034 -4.584 0.754 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.245 -4.001 -0.337 1.00 1.00 H new ATOM 522 N ASN A 34 2.385 -4.582 -1.958 1.00 1.00 N ATOM 523 CA ASN A 34 3.214 -3.425 -1.667 1.00 1.00 C ATOM 524 C ASN A 34 2.568 -2.175 -2.267 1.00 1.00 C ATOM 525 O ASN A 34 1.522 -2.260 -2.909 1.00 1.00 O ATOM 526 CB ASN A 34 4.608 -3.578 -2.280 1.00 1.00 C ATOM 527 CG ASN A 34 5.261 -4.888 -1.837 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.792 -5.575 -0.945 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.368 -5.194 -2.507 1.00 1.00 N ATOM 0 H ASN A 34 2.051 -4.636 -2.920 1.00 1.00 H new ATOM 0 HA ASN A 34 3.304 -3.339 -0.584 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.536 -3.553 -3.367 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.234 -2.737 -1.983 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.879 -6.049 -2.285 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.706 -4.574 -3.243 1.00 1.00 H new ATOM 536 N LEU A 35 3.217 -1.043 -2.038 1.00 1.00 N ATOM 537 CA LEU A 35 2.719 0.222 -2.548 1.00 1.00 C ATOM 538 C LEU A 35 3.736 0.807 -3.531 1.00 1.00 C ATOM 539 O LEU A 35 4.940 0.617 -3.370 1.00 1.00 O ATOM 540 CB LEU A 35 2.366 1.164 -1.395 1.00 1.00 C ATOM 541 CG LEU A 35 3.351 2.306 -1.137 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.440 3.237 -2.348 1.00 1.00 C ATOM 543 CD2 LEU A 35 2.989 3.064 0.142 1.00 1.00 C ATOM 0 H LEU A 35 4.084 -0.976 -1.505 1.00 1.00 H new ATOM 0 HA LEU A 35 1.792 0.071 -3.100 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.384 1.595 -1.591 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.278 0.573 -0.483 1.00 1.00 H new ATOM 0 HG LEU A 35 4.341 1.876 -0.987 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.147 4.040 -2.138 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.779 2.673 -3.217 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.458 3.663 -2.553 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.705 3.870 0.302 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.987 3.482 0.046 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.017 2.380 0.990 1.00 1.00 H new ATOM 555 N GLU A 36 3.213 1.507 -4.527 1.00 1.00 N ATOM 556 CA GLU A 36 4.060 2.121 -5.535 1.00 1.00 C ATOM 557 C GLU A 36 3.682 3.592 -5.722 1.00 1.00 C ATOM 558 O GLU A 36 2.585 3.901 -6.182 1.00 1.00 O ATOM 559 CB GLU A 36 3.974 1.360 -6.860 1.00 1.00 C ATOM 560 CG GLU A 36 4.842 2.025 -7.931 1.00 1.00 C ATOM 561 CD GLU A 36 3.989 2.864 -8.885 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.634 3.993 -8.484 1.00 1.00 O ATOM 563 OE2 GLU A 36 3.713 2.357 -9.994 1.00 1.00 O ATOM 0 H GLU A 36 2.213 1.662 -4.657 1.00 1.00 H new ATOM 0 HA GLU A 36 5.094 2.073 -5.192 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.297 0.329 -6.713 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.938 1.325 -7.197 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.591 2.658 -7.456 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.380 1.262 -8.494 1.00 1.00 H new ATOM 570 N TYR A 37 4.614 4.460 -5.355 1.00 1.00 N ATOM 571 CA TYR A 37 4.393 5.891 -5.476 1.00 1.00 C ATOM 572 C TYR A 37 5.388 6.519 -6.453 1.00 1.00 C ATOM 573 O TYR A 37 6.598 6.362 -6.299 1.00 1.00 O ATOM 574 CB TYR A 37 4.629 6.473 -4.081 1.00 1.00 C ATOM 575 CG TYR A 37 4.679 8.002 -4.046 1.00 1.00 C ATOM 576 CD1 TYR A 37 3.989 8.737 -4.988 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.414 8.646 -3.072 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.036 10.176 -4.955 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.461 10.085 -3.038 1.00 1.00 C ATOM 580 CZ TYR A 37 4.770 10.779 -3.981 1.00 1.00 C ATOM 581 OH TYR A 37 4.814 12.138 -3.950 1.00 1.00 O ATOM 0 H TYR A 37 5.524 4.200 -4.974 1.00 1.00 H new ATOM 0 HA TYR A 37 3.389 6.094 -5.850 1.00 1.00 H new ATOM 0 HB2 TYR A 37 3.836 6.130 -3.416 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.567 6.080 -3.688 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.413 8.233 -5.750 1.00 1.00 H new ATOM 0 HD2 TYR A 37 5.954 8.071 -2.335 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.501 10.763 -5.687 1.00 1.00 H new ATOM 0 HE2 TYR A 37 6.032 10.601 -2.281 1.00 1.00 H new ATOM 0 HH TYR A 37 5.374 12.430 -3.201 1.00 1.00 H new ATOM 591 N LYS A 38 4.842 7.216 -7.438 1.00 1.00 N ATOM 592 CA LYS A 38 5.667 7.868 -8.441 1.00 1.00 C ATOM 593 C LYS A 38 6.266 6.810 -9.369 1.00 1.00 C ATOM 594 O LYS A 38 7.011 7.138 -10.292 1.00 1.00 O ATOM 595 CB LYS A 38 6.712 8.765 -7.774 1.00 1.00 C ATOM 596 CG LYS A 38 6.055 9.732 -6.787 1.00 1.00 C ATOM 597 CD LYS A 38 6.727 11.106 -6.835 1.00 1.00 C ATOM 598 CE LYS A 38 8.059 11.091 -6.083 1.00 1.00 C ATOM 599 NZ LYS A 38 8.481 12.469 -5.749 1.00 1.00 N ATOM 0 H LYS A 38 3.838 7.344 -7.563 1.00 1.00 H new ATOM 0 HA LYS A 38 5.062 8.530 -9.061 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.445 8.150 -7.252 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.252 9.328 -8.535 1.00 1.00 H new ATOM 0 HG2 LYS A 38 4.995 9.833 -7.022 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.120 9.327 -5.777 1.00 1.00 H new ATOM 0 HD2 LYS A 38 6.894 11.397 -7.872 1.00 1.00 H new ATOM 0 HD3 LYS A 38 6.066 11.854 -6.396 1.00 1.00 H new ATOM 0 HE2 LYS A 38 7.962 10.503 -5.170 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.822 10.608 -6.693 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 9.387 12.441 -5.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 8.594 13.019 -6.624 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 7.760 12.917 -5.149 1.00 1.00 H new ATOM 613 N GLY A 39 5.920 5.562 -9.092 1.00 1.00 N ATOM 614 CA GLY A 39 6.415 4.453 -9.890 1.00 1.00 C ATOM 615 C GLY A 39 7.300 3.527 -9.053 1.00 1.00 C ATOM 616 O GLY A 39 7.764 2.497 -9.542 1.00 1.00 O ATOM 0 H GLY A 39 5.303 5.294 -8.326 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.575 3.890 -10.297 1.00 1.00 H new ATOM 0 HA3 GLY A 39 6.983 4.836 -10.738 1.00 1.00 H new ATOM 620 N LYS A 40 7.509 3.927 -7.807 1.00 1.00 N ATOM 621 CA LYS A 40 8.330 3.145 -6.898 1.00 1.00 C ATOM 622 C LYS A 40 7.431 2.230 -6.065 1.00 1.00 C ATOM 623 O LYS A 40 6.708 2.696 -5.186 1.00 1.00 O ATOM 624 CB LYS A 40 9.221 4.063 -6.058 1.00 1.00 C ATOM 625 CG LYS A 40 9.880 3.290 -4.914 1.00 1.00 C ATOM 626 CD LYS A 40 10.729 4.218 -4.043 1.00 1.00 C ATOM 627 CE LYS A 40 10.409 4.023 -2.560 1.00 1.00 C ATOM 628 NZ LYS A 40 10.975 5.130 -1.758 1.00 1.00 N ATOM 0 H LYS A 40 7.124 4.782 -7.406 1.00 1.00 H new ATOM 0 HA LYS A 40 9.010 2.502 -7.456 1.00 1.00 H new ATOM 0 HB2 LYS A 40 9.989 4.509 -6.690 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.626 4.882 -5.653 1.00 1.00 H new ATOM 0 HG2 LYS A 40 9.113 2.813 -4.303 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.505 2.494 -5.320 1.00 1.00 H new ATOM 0 HD2 LYS A 40 11.787 4.021 -4.219 1.00 1.00 H new ATOM 0 HD3 LYS A 40 10.546 5.255 -4.325 1.00 1.00 H new ATOM 0 HE2 LYS A 40 9.329 3.978 -2.418 1.00 1.00 H new ATOM 0 HE3 LYS A 40 10.816 3.072 -2.216 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.558 5.117 -0.805 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 12.006 5.015 -1.686 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.759 6.037 -2.218 1.00 1.00 H new ATOM 642 N SER A 41 7.506 0.942 -6.371 1.00 1.00 N ATOM 643 CA SER A 41 6.709 -0.043 -5.661 1.00 1.00 C ATOM 644 C SER A 41 7.575 -0.777 -4.636 1.00 1.00 C ATOM 645 O SER A 41 8.536 -1.454 -5.000 1.00 1.00 O ATOM 646 CB SER A 41 6.074 -1.041 -6.632 1.00 1.00 C ATOM 647 OG SER A 41 6.943 -2.135 -6.916 1.00 1.00 O ATOM 0 H SER A 41 8.107 0.559 -7.101 1.00 1.00 H new ATOM 0 HA SER A 41 5.905 0.478 -5.141 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.143 -1.418 -6.208 1.00 1.00 H new ATOM 0 HB3 SER A 41 5.818 -0.531 -7.560 1.00 1.00 H new ATOM 0 HG SER A 41 7.844 -1.930 -6.590 1.00 1.00 H new ATOM 653 N VAL A 42 7.204 -0.619 -3.374 1.00 1.00 N ATOM 654 CA VAL A 42 7.935 -1.259 -2.293 1.00 1.00 C ATOM 655 C VAL A 42 6.961 -1.630 -1.173 1.00 1.00 C ATOM 656 O VAL A 42 5.958 -0.948 -0.967 1.00 1.00 O ATOM 657 CB VAL A 42 9.071 -0.349 -1.820 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.640 0.467 -2.982 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.605 0.564 -0.684 1.00 1.00 C ATOM 0 H VAL A 42 6.407 -0.057 -3.076 1.00 1.00 H new ATOM 0 HA VAL A 42 8.398 -2.183 -2.640 1.00 1.00 H new ATOM 0 HB VAL A 42 9.869 -0.983 -1.434 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.446 1.105 -2.618 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.028 -0.208 -3.745 1.00 1.00 H new ATOM 0 HG13 VAL A 42 8.853 1.086 -3.412 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.431 1.200 -0.366 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.781 1.186 -1.032 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.271 -0.043 0.157 1.00 1.00 H new ATOM 669 N ASN A 43 7.290 -2.710 -0.480 1.00 1.00 N ATOM 670 CA ASN A 43 6.456 -3.181 0.613 1.00 1.00 C ATOM 671 C ASN A 43 6.042 -1.991 1.481 1.00 1.00 C ATOM 672 O ASN A 43 6.713 -1.668 2.460 1.00 1.00 O ATOM 673 CB ASN A 43 7.216 -4.170 1.499 1.00 1.00 C ATOM 674 CG ASN A 43 8.198 -5.003 0.673 1.00 1.00 C ATOM 675 OD1 ASN A 43 7.836 -5.673 -0.280 1.00 1.00 O ATOM 676 ND2 ASN A 43 9.459 -4.924 1.090 1.00 1.00 N ATOM 0 H ASN A 43 8.123 -3.273 -0.654 1.00 1.00 H new ATOM 0 HA ASN A 43 5.585 -3.677 0.184 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.756 -3.628 2.275 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.509 -4.829 2.004 1.00 1.00 H new ATOM 0 HD21 ASN A 43 10.190 -5.443 0.604 1.00 1.00 H new ATOM 0 HD22 ASN A 43 9.694 -4.344 1.895 1.00 1.00 H new ATOM 683 N LEU A 44 4.938 -1.370 1.090 1.00 1.00 N ATOM 684 CA LEU A 44 4.426 -0.223 1.820 1.00 1.00 C ATOM 685 C LEU A 44 4.989 -0.237 3.242 1.00 1.00 C ATOM 686 O LEU A 44 5.337 0.811 3.786 1.00 1.00 O ATOM 687 CB LEU A 44 2.897 -0.191 1.764 1.00 1.00 C ATOM 688 CG LEU A 44 2.233 -1.302 0.948 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.527 -2.677 1.551 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.731 -1.050 0.800 1.00 1.00 C ATOM 0 H LEU A 44 4.384 -1.640 0.277 1.00 1.00 H new ATOM 0 HA LEU A 44 4.758 0.705 1.354 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.515 -0.238 2.784 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.588 0.770 1.352 1.00 1.00 H new ATOM 0 HG LEU A 44 2.662 -1.292 -0.054 1.00 1.00 H new ATOM 0 HD11 LEU A 44 2.043 -3.448 0.952 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.604 -2.847 1.561 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.144 -2.717 2.571 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.283 -1.854 0.216 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.269 -1.017 1.787 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.570 -0.099 0.292 1.00 1.00 H new ATOM 702 N LYS A 45 5.062 -1.434 3.805 1.00 1.00 N ATOM 703 CA LYS A 45 5.577 -1.597 5.154 1.00 1.00 C ATOM 704 C LYS A 45 7.088 -1.356 5.151 1.00 1.00 C ATOM 705 O LYS A 45 7.754 -1.556 6.165 1.00 1.00 O ATOM 706 CB LYS A 45 5.173 -2.960 5.720 1.00 1.00 C ATOM 707 CG LYS A 45 5.831 -3.206 7.079 1.00 1.00 C ATOM 708 CD LYS A 45 4.827 -3.787 8.077 1.00 1.00 C ATOM 709 CE LYS A 45 5.492 -4.061 9.427 1.00 1.00 C ATOM 710 NZ LYS A 45 4.841 -3.269 10.495 1.00 1.00 N ATOM 0 H LYS A 45 4.773 -2.301 3.351 1.00 1.00 H new ATOM 0 HA LYS A 45 5.137 -0.857 5.822 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.089 -3.008 5.823 1.00 1.00 H new ATOM 0 HB3 LYS A 45 5.463 -3.747 5.024 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.671 -3.891 6.962 1.00 1.00 H new ATOM 0 HG3 LYS A 45 6.234 -2.270 7.466 1.00 1.00 H new ATOM 0 HD2 LYS A 45 3.998 -3.092 8.210 1.00 1.00 H new ATOM 0 HD3 LYS A 45 4.408 -4.711 7.680 1.00 1.00 H new ATOM 0 HE2 LYS A 45 5.427 -5.123 9.662 1.00 1.00 H new ATOM 0 HE3 LYS A 45 6.552 -3.811 9.375 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 5.304 -3.466 11.405 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 4.925 -2.256 10.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 3.835 -3.528 10.555 1.00 1.00 H new ATOM 724 N SER A 46 7.584 -0.929 3.999 1.00 1.00 N ATOM 725 CA SER A 46 9.004 -0.658 3.851 1.00 1.00 C ATOM 726 C SER A 46 9.298 0.802 4.203 1.00 1.00 C ATOM 727 O SER A 46 9.369 1.655 3.320 1.00 1.00 O ATOM 728 CB SER A 46 9.478 -0.966 2.429 1.00 1.00 C ATOM 729 OG SER A 46 10.899 -1.026 2.342 1.00 1.00 O ATOM 0 H SER A 46 7.028 -0.764 3.160 1.00 1.00 H new ATOM 0 HA SER A 46 9.549 -1.307 4.536 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.054 -1.916 2.103 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.105 -0.201 1.749 1.00 1.00 H new ATOM 0 HG SER A 46 11.162 -1.226 1.419 1.00 1.00 H new ATOM 735 N ILE A 47 9.461 1.044 5.495 1.00 1.00 N ATOM 736 CA ILE A 47 9.745 2.386 5.975 1.00 1.00 C ATOM 737 C ILE A 47 10.723 3.069 5.017 1.00 1.00 C ATOM 738 O ILE A 47 10.350 3.997 4.301 1.00 1.00 O ATOM 739 CB ILE A 47 10.233 2.344 7.425 1.00 1.00 C ATOM 740 CG1 ILE A 47 9.152 2.851 8.382 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.546 3.114 7.584 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.780 2.289 8.005 1.00 1.00 C ATOM 0 H ILE A 47 9.402 0.334 6.225 1.00 1.00 H new ATOM 0 HA ILE A 47 8.836 2.987 5.986 1.00 1.00 H new ATOM 0 HB ILE A 47 10.435 1.306 7.688 1.00 1.00 H new ATOM 0 HG12 ILE A 47 9.400 2.561 9.403 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.122 3.940 8.358 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.871 3.069 8.623 1.00 1.00 H new ATOM 0 HG22 ILE A 47 12.309 2.668 6.946 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.395 4.154 7.296 1.00 1.00 H new ATOM 0 HD11 ILE A 47 7.029 2.664 8.700 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.525 2.601 6.992 1.00 1.00 H new ATOM 0 HD13 ILE A 47 7.807 1.200 8.053 1.00 1.00 H new ATOM 754 N MET A 48 11.956 2.583 5.034 1.00 1.00 N ATOM 755 CA MET A 48 12.990 3.135 4.175 1.00 1.00 C ATOM 756 C MET A 48 12.474 3.322 2.747 1.00 1.00 C ATOM 757 O MET A 48 12.481 4.434 2.221 1.00 1.00 O ATOM 758 CB MET A 48 14.198 2.197 4.163 1.00 1.00 C ATOM 759 CG MET A 48 13.773 0.751 4.429 1.00 1.00 C ATOM 760 SD MET A 48 14.772 -0.367 3.460 1.00 1.00 S ATOM 761 CE MET A 48 14.271 0.115 1.816 1.00 1.00 C ATOM 0 H MET A 48 12.262 1.813 5.629 1.00 1.00 H new ATOM 0 HA MET A 48 13.280 4.110 4.567 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.702 2.260 3.199 1.00 1.00 H new ATOM 0 HB3 MET A 48 14.916 2.514 4.919 1.00 1.00 H new ATOM 0 HG2 MET A 48 13.880 0.521 5.489 1.00 1.00 H new ATOM 0 HG3 MET A 48 12.720 0.621 4.179 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.842 -0.452 1.081 1.00 1.00 H new ATOM 0 HE2 MET A 48 13.208 -0.089 1.685 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.456 1.180 1.677 1.00 1.00 H new ATOM 771 N GLY A 49 12.040 2.217 2.159 1.00 1.00 N ATOM 772 CA GLY A 49 11.521 2.245 0.802 1.00 1.00 C ATOM 773 C GLY A 49 10.312 3.176 0.696 1.00 1.00 C ATOM 774 O GLY A 49 9.854 3.482 -0.404 1.00 1.00 O ATOM 0 H GLY A 49 12.037 1.296 2.598 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.301 2.577 0.117 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.237 1.238 0.497 1.00 1.00 H new ATOM 778 N VAL A 50 9.829 3.600 1.854 1.00 1.00 N ATOM 779 CA VAL A 50 8.681 4.490 1.906 1.00 1.00 C ATOM 780 C VAL A 50 9.133 5.872 2.382 1.00 1.00 C ATOM 781 O VAL A 50 8.711 6.890 1.835 1.00 1.00 O ATOM 782 CB VAL A 50 7.587 3.882 2.787 1.00 1.00 C ATOM 783 CG1 VAL A 50 6.907 4.958 3.636 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.563 3.121 1.942 1.00 1.00 C ATOM 0 H VAL A 50 10.212 3.344 2.764 1.00 1.00 H new ATOM 0 HA VAL A 50 8.249 4.614 0.913 1.00 1.00 H new ATOM 0 HB VAL A 50 8.058 3.169 3.464 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.134 4.500 4.253 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.647 5.437 4.278 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.455 5.705 2.983 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.797 2.699 2.592 1.00 1.00 H new ATOM 0 HG22 VAL A 50 6.099 3.804 1.230 1.00 1.00 H new ATOM 0 HG23 VAL A 50 7.063 2.317 1.401 1.00 1.00 H new ATOM 794 N MET A 51 9.986 5.863 3.396 1.00 1.00 N ATOM 795 CA MET A 51 10.500 7.103 3.952 1.00 1.00 C ATOM 796 C MET A 51 10.957 8.053 2.843 1.00 1.00 C ATOM 797 O MET A 51 10.621 9.236 2.857 1.00 1.00 O ATOM 798 CB MET A 51 11.677 6.798 4.881 1.00 1.00 C ATOM 799 CG MET A 51 12.176 8.069 5.570 1.00 1.00 C ATOM 800 SD MET A 51 10.895 8.738 6.618 1.00 1.00 S ATOM 801 CE MET A 51 10.085 7.229 7.120 1.00 1.00 C ATOM 0 H MET A 51 10.334 5.017 3.847 1.00 1.00 H new ATOM 0 HA MET A 51 9.700 7.587 4.512 1.00 1.00 H new ATOM 0 HB2 MET A 51 11.373 6.069 5.632 1.00 1.00 H new ATOM 0 HB3 MET A 51 12.489 6.347 4.310 1.00 1.00 H new ATOM 0 HG2 MET A 51 13.063 7.847 6.163 1.00 1.00 H new ATOM 0 HG3 MET A 51 12.468 8.807 4.823 1.00 1.00 H new ATOM 0 HE1 MET A 51 9.412 7.437 7.952 1.00 1.00 H new ATOM 0 HE2 MET A 51 9.514 6.827 6.283 1.00 1.00 H new ATOM 0 HE3 MET A 51 10.834 6.501 7.432 1.00 1.00 H new ATOM 811 N SER A 52 11.717 7.499 1.910 1.00 1.00 N ATOM 812 CA SER A 52 12.224 8.283 0.796 1.00 1.00 C ATOM 813 C SER A 52 11.076 8.664 -0.141 1.00 1.00 C ATOM 814 O SER A 52 11.145 9.680 -0.830 1.00 1.00 O ATOM 815 CB SER A 52 13.303 7.515 0.029 1.00 1.00 C ATOM 816 OG SER A 52 12.747 6.683 -0.985 1.00 1.00 O ATOM 0 H SER A 52 11.994 6.517 1.902 1.00 1.00 H new ATOM 0 HA SER A 52 12.676 9.191 1.194 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.999 8.222 -0.423 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.877 6.904 0.725 1.00 1.00 H new ATOM 0 HG SER A 52 13.462 6.362 -1.573 1.00 1.00 H new ATOM 822 N LEU A 53 10.048 7.828 -0.136 1.00 1.00 N ATOM 823 CA LEU A 53 8.887 8.065 -0.977 1.00 1.00 C ATOM 824 C LEU A 53 7.827 8.822 -0.174 1.00 1.00 C ATOM 825 O LEU A 53 7.808 10.052 -0.169 1.00 1.00 O ATOM 826 CB LEU A 53 8.383 6.751 -1.576 1.00 1.00 C ATOM 827 CG LEU A 53 8.445 6.642 -3.101 1.00 1.00 C ATOM 828 CD1 LEU A 53 7.698 5.400 -3.592 1.00 1.00 C ATOM 829 CD2 LEU A 53 7.929 7.920 -3.764 1.00 1.00 C ATOM 0 H LEU A 53 9.995 6.986 0.437 1.00 1.00 H new ATOM 0 HA LEU A 53 9.153 8.694 -1.826 1.00 1.00 H new ATOM 0 HB2 LEU A 53 8.964 5.934 -1.149 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.349 6.605 -1.263 1.00 1.00 H new ATOM 0 HG LEU A 53 9.489 6.527 -3.393 1.00 1.00 H new ATOM 0 HD11 LEU A 53 7.757 5.346 -4.679 1.00 1.00 H new ATOM 0 HD12 LEU A 53 8.151 4.508 -3.159 1.00 1.00 H new ATOM 0 HD13 LEU A 53 6.653 5.460 -3.288 1.00 1.00 H new ATOM 0 HD21 LEU A 53 7.984 7.816 -4.848 1.00 1.00 H new ATOM 0 HD22 LEU A 53 6.894 8.091 -3.468 1.00 1.00 H new ATOM 0 HD23 LEU A 53 8.541 8.766 -3.449 1.00 1.00 H new ATOM 841 N GLY A 54 6.971 8.055 0.486 1.00 1.00 N ATOM 842 CA GLY A 54 5.911 8.638 1.290 1.00 1.00 C ATOM 843 C GLY A 54 5.010 9.538 0.442 1.00 1.00 C ATOM 844 O GLY A 54 5.491 10.252 -0.437 1.00 1.00 O ATOM 0 H GLY A 54 6.990 7.035 0.480 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.316 7.845 1.743 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.345 9.217 2.105 1.00 1.00 H new ATOM 848 N VAL A 55 3.720 9.475 0.735 1.00 1.00 N ATOM 849 CA VAL A 55 2.748 10.276 0.010 1.00 1.00 C ATOM 850 C VAL A 55 1.897 11.065 1.007 1.00 1.00 C ATOM 851 O VAL A 55 2.182 11.068 2.204 1.00 1.00 O ATOM 852 CB VAL A 55 1.914 9.381 -0.910 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.385 9.497 -2.361 1.00 1.00 C ATOM 854 CG2 VAL A 55 1.949 7.926 -0.438 1.00 1.00 C ATOM 0 H VAL A 55 3.325 8.882 1.465 1.00 1.00 H new ATOM 0 HA VAL A 55 3.252 10.999 -0.631 1.00 1.00 H new ATOM 0 HB VAL A 55 0.880 9.724 -0.864 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.776 8.851 -2.994 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.286 10.530 -2.694 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.429 9.192 -2.430 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.349 7.311 -1.109 1.00 1.00 H new ATOM 0 HG22 VAL A 55 2.978 7.567 -0.441 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.545 7.861 0.572 1.00 1.00 H new ATOM 864 N GLY A 56 0.871 11.714 0.478 1.00 1.00 N ATOM 865 CA GLY A 56 -0.023 12.504 1.307 1.00 1.00 C ATOM 866 C GLY A 56 -0.781 13.535 0.468 1.00 1.00 C ATOM 867 O GLY A 56 -1.885 13.265 -0.004 1.00 1.00 O ATOM 0 H GLY A 56 0.639 11.709 -0.515 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.732 11.848 1.811 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.549 13.012 2.084 1.00 1.00 H new ATOM 871 N GLN A 57 -0.159 14.694 0.308 1.00 1.00 N ATOM 872 CA GLN A 57 -0.762 15.766 -0.466 1.00 1.00 C ATOM 873 C GLN A 57 -1.368 15.212 -1.757 1.00 1.00 C ATOM 874 O GLN A 57 -0.747 15.278 -2.817 1.00 1.00 O ATOM 875 CB GLN A 57 0.259 16.865 -0.767 1.00 1.00 C ATOM 876 CG GLN A 57 1.197 16.447 -1.902 1.00 1.00 C ATOM 877 CD GLN A 57 2.573 17.095 -1.742 1.00 1.00 C ATOM 878 OE1 GLN A 57 3.100 17.233 -0.650 1.00 1.00 O ATOM 879 NE2 GLN A 57 3.125 17.483 -2.888 1.00 1.00 N ATOM 0 H GLN A 57 0.756 14.914 0.701 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.562 16.211 0.126 1.00 1.00 H new ATOM 0 HB2 GLN A 57 -0.260 17.784 -1.039 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.841 17.081 0.129 1.00 1.00 H new ATOM 0 HG2 GLN A 57 1.301 15.362 -1.912 1.00 1.00 H new ATOM 0 HG3 GLN A 57 0.765 16.735 -2.860 1.00 1.00 H new ATOM 0 HE21 GLN A 57 2.630 17.338 -3.768 1.00 1.00 H new ATOM 0 HE22 GLN A 57 4.044 17.926 -2.887 1.00 1.00 H new ATOM 888 N GLY A 58 -2.574 14.680 -1.626 1.00 1.00 N ATOM 889 CA GLY A 58 -3.272 14.115 -2.769 1.00 1.00 C ATOM 890 C GLY A 58 -2.328 13.264 -3.621 1.00 1.00 C ATOM 891 O GLY A 58 -2.669 12.886 -4.741 1.00 1.00 O ATOM 0 H GLY A 58 -3.086 14.628 -0.745 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -4.107 13.505 -2.425 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.692 14.917 -3.376 1.00 1.00 H new ATOM 895 N SER A 59 -1.161 12.988 -3.058 1.00 1.00 N ATOM 896 CA SER A 59 -0.166 12.188 -3.753 1.00 1.00 C ATOM 897 C SER A 59 -0.788 10.873 -4.224 1.00 1.00 C ATOM 898 O SER A 59 -1.528 10.230 -3.480 1.00 1.00 O ATOM 899 CB SER A 59 1.043 11.913 -2.856 1.00 1.00 C ATOM 900 OG SER A 59 1.511 13.095 -2.212 1.00 1.00 O ATOM 0 H SER A 59 -0.882 13.304 -2.129 1.00 1.00 H new ATOM 0 HA SER A 59 0.180 12.750 -4.621 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.774 11.172 -2.103 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.847 11.483 -3.453 1.00 1.00 H new ATOM 0 HG SER A 59 2.282 12.877 -1.648 1.00 1.00 H new ATOM 906 N ASP A 60 -0.465 10.510 -5.457 1.00 1.00 N ATOM 907 CA ASP A 60 -0.983 9.283 -6.036 1.00 1.00 C ATOM 908 C ASP A 60 0.076 8.184 -5.923 1.00 1.00 C ATOM 909 O ASP A 60 1.272 8.457 -6.018 1.00 1.00 O ATOM 910 CB ASP A 60 -1.314 9.469 -7.518 1.00 1.00 C ATOM 911 CG ASP A 60 -0.101 9.649 -8.433 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.541 10.716 -8.321 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.156 8.717 -9.225 1.00 1.00 O ATOM 0 H ASP A 60 0.149 11.045 -6.071 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.890 9.012 -5.495 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.883 8.604 -7.859 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.962 10.339 -7.624 1.00 1.00 H new ATOM 918 N VAL A 61 -0.401 6.965 -5.721 1.00 1.00 N ATOM 919 CA VAL A 61 0.489 5.824 -5.594 1.00 1.00 C ATOM 920 C VAL A 61 -0.186 4.586 -6.189 1.00 1.00 C ATOM 921 O VAL A 61 -1.344 4.644 -6.600 1.00 1.00 O ATOM 922 CB VAL A 61 0.895 5.638 -4.131 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.691 6.843 -3.625 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.329 5.381 -3.250 1.00 1.00 C ATOM 0 H VAL A 61 -1.393 6.742 -5.642 1.00 1.00 H new ATOM 0 HA VAL A 61 1.409 5.993 -6.154 1.00 1.00 H new ATOM 0 HB VAL A 61 1.540 4.761 -4.072 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.967 6.685 -2.582 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.593 6.961 -4.225 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.081 7.742 -3.706 1.00 1.00 H new ATOM 0 HG21 VAL A 61 -0.012 5.252 -2.215 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -1.011 6.229 -3.318 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.838 4.478 -3.588 1.00 1.00 H new ATOM 934 N THR A 62 0.567 3.496 -6.216 1.00 1.00 N ATOM 935 CA THR A 62 0.056 2.247 -6.754 1.00 1.00 C ATOM 936 C THR A 62 0.319 1.099 -5.778 1.00 1.00 C ATOM 937 O THR A 62 1.399 1.010 -5.196 1.00 1.00 O ATOM 938 CB THR A 62 0.687 2.032 -8.131 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.259 2.590 -9.038 1.00 1.00 O ATOM 940 CG2 THR A 62 0.750 0.553 -8.521 1.00 1.00 C ATOM 0 H THR A 62 1.527 3.452 -5.874 1.00 1.00 H new ATOM 0 HA THR A 62 -1.026 2.283 -6.879 1.00 1.00 H new ATOM 0 HB THR A 62 1.692 2.453 -8.139 1.00 1.00 H new ATOM 0 HG1 THR A 62 -0.235 3.568 -8.976 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.206 0.456 -9.506 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.347 0.009 -7.789 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.258 0.140 -8.546 1.00 1.00 H new ATOM 948 N ILE A 63 -0.686 0.249 -5.629 1.00 1.00 N ATOM 949 CA ILE A 63 -0.576 -0.891 -4.734 1.00 1.00 C ATOM 950 C ILE A 63 -0.510 -2.178 -5.559 1.00 1.00 C ATOM 951 O ILE A 63 -1.060 -2.245 -6.657 1.00 1.00 O ATOM 952 CB ILE A 63 -1.711 -0.876 -3.707 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.160 -0.943 -2.281 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.717 -1.994 -3.986 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.240 0.424 -1.598 1.00 1.00 C ATOM 0 H ILE A 63 -1.581 0.327 -6.113 1.00 1.00 H new ATOM 0 HA ILE A 63 0.347 -0.835 -4.157 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.246 0.069 -3.802 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.724 -1.676 -1.703 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.125 -1.283 -2.303 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.513 -1.961 -3.242 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.143 -1.860 -4.980 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.212 -2.959 -3.935 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.842 0.349 -0.586 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.655 1.149 -2.165 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.279 0.749 -1.556 1.00 1.00 H new ATOM 967 N THR A 64 0.169 -3.168 -4.998 1.00 1.00 N ATOM 968 CA THR A 64 0.315 -4.449 -5.667 1.00 1.00 C ATOM 969 C THR A 64 0.008 -5.594 -4.700 1.00 1.00 C ATOM 970 O THR A 64 0.323 -5.510 -3.514 1.00 1.00 O ATOM 971 CB THR A 64 1.724 -4.515 -6.260 1.00 1.00 C ATOM 972 OG1 THR A 64 2.041 -3.157 -6.554 1.00 1.00 O ATOM 973 CG2 THR A 64 1.753 -5.207 -7.624 1.00 1.00 C ATOM 0 H THR A 64 0.624 -3.108 -4.087 1.00 1.00 H new ATOM 0 HA THR A 64 -0.401 -4.553 -6.482 1.00 1.00 H new ATOM 0 HB THR A 64 2.383 -5.043 -5.571 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.940 -3.107 -6.941 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.776 -5.227 -8.000 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.384 -6.227 -7.522 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.120 -4.660 -8.323 1.00 1.00 H new ATOM 981 N VAL A 65 -0.602 -6.637 -5.243 1.00 1.00 N ATOM 982 CA VAL A 65 -0.954 -7.798 -4.443 1.00 1.00 C ATOM 983 C VAL A 65 -0.685 -9.069 -5.251 1.00 1.00 C ATOM 984 O VAL A 65 -1.133 -9.193 -6.390 1.00 1.00 O ATOM 985 CB VAL A 65 -2.405 -7.687 -3.970 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.378 -8.036 -5.099 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.651 -8.566 -2.743 1.00 1.00 C ATOM 0 H VAL A 65 -0.862 -6.703 -6.227 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.336 -7.845 -3.546 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.585 -6.651 -3.681 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.402 -7.949 -4.736 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.229 -7.350 -5.933 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.197 -9.058 -5.433 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.690 -8.468 -2.428 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.444 -9.606 -2.993 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.995 -8.251 -1.932 1.00 1.00 H new ATOM 997 N ASP A 66 0.046 -9.983 -4.629 1.00 1.00 N ATOM 998 CA ASP A 66 0.381 -11.240 -5.275 1.00 1.00 C ATOM 999 C ASP A 66 0.398 -12.358 -4.230 1.00 1.00 C ATOM 1000 O ASP A 66 1.142 -12.287 -3.253 1.00 1.00 O ATOM 1001 CB ASP A 66 1.766 -11.176 -5.922 1.00 1.00 C ATOM 1002 CG ASP A 66 2.286 -9.764 -6.199 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.528 -8.993 -6.827 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.429 -9.486 -5.775 1.00 1.00 O ATOM 0 H ASP A 66 0.415 -9.877 -3.684 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.367 -11.433 -6.044 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.477 -11.688 -5.274 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.737 -11.727 -6.862 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.430 -13.363 -4.472 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.519 -14.493 -3.563 1.00 1.00 C ATOM 1011 C GLY A 67 -1.968 -14.962 -3.411 1.00 1.00 C ATOM 1012 O GLY A 67 -2.827 -14.607 -4.218 1.00 1.00 O ATOM 0 H GLY A 67 -1.045 -13.419 -5.284 1.00 1.00 H new ATOM 0 HA2 GLY A 67 0.095 -15.313 -3.935 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -0.120 -14.213 -2.588 1.00 1.00 H new ATOM 1016 N ALA A 68 -2.195 -15.751 -2.371 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.525 -16.271 -2.103 1.00 1.00 C ATOM 1018 C ALA A 68 -4.431 -15.128 -1.639 1.00 1.00 C ATOM 1019 O ALA A 68 -5.518 -14.934 -2.182 1.00 1.00 O ATOM 1020 CB ALA A 68 -3.434 -17.398 -1.073 1.00 1.00 C ATOM 0 H ALA A 68 -1.480 -16.043 -1.704 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.963 -16.691 -3.008 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -4.432 -17.788 -0.872 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.803 -18.197 -1.463 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -3.002 -17.013 -0.149 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.950 -14.403 -0.640 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.703 -13.285 -0.097 1.00 1.00 C ATOM 1028 C ASP A 69 -4.896 -12.229 -1.187 1.00 1.00 C ATOM 1029 O ASP A 69 -5.814 -11.413 -1.110 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.956 -12.632 1.068 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.547 -12.909 2.451 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -4.665 -14.107 2.789 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.867 -11.917 3.141 1.00 1.00 O ATOM 0 H ASP A 69 -3.048 -14.568 -0.192 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.662 -13.664 0.257 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.922 -12.977 1.056 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.935 -11.554 0.908 1.00 1.00 H new ATOM 1038 N GLU A 70 -4.016 -12.277 -2.176 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.078 -11.334 -3.280 1.00 1.00 C ATOM 1040 C GLU A 70 -5.426 -10.610 -3.284 1.00 1.00 C ATOM 1041 O GLU A 70 -5.476 -9.383 -3.210 1.00 1.00 O ATOM 1042 CB GLU A 70 -3.829 -12.036 -4.616 1.00 1.00 C ATOM 1043 CG GLU A 70 -4.827 -13.176 -4.831 1.00 1.00 C ATOM 1044 CD GLU A 70 -6.071 -12.683 -5.573 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -5.916 -11.735 -6.373 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -7.149 -13.264 -5.323 1.00 1.00 O ATOM 0 H GLU A 70 -3.256 -12.954 -2.236 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.290 -10.593 -3.144 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -3.913 -11.316 -5.430 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.812 -12.428 -4.641 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.353 -13.976 -5.400 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -5.116 -13.597 -3.868 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.486 -11.400 -3.370 1.00 1.00 N ATOM 1054 CA ALA A 71 -7.831 -10.850 -3.385 1.00 1.00 C ATOM 1055 C ALA A 71 -8.077 -10.081 -2.085 1.00 1.00 C ATOM 1056 O ALA A 71 -8.123 -8.852 -2.086 1.00 1.00 O ATOM 1057 CB ALA A 71 -8.842 -11.979 -3.595 1.00 1.00 C ATOM 0 H ALA A 71 -6.441 -12.417 -3.430 1.00 1.00 H new ATOM 0 HA ALA A 71 -7.950 -10.148 -4.211 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -9.851 -11.567 -3.606 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.642 -12.475 -4.545 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.754 -12.701 -2.784 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.228 -10.837 -1.008 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.468 -10.241 0.296 1.00 1.00 C ATOM 1065 C GLU A 72 -7.410 -9.178 0.597 1.00 1.00 C ATOM 1066 O GLU A 72 -7.738 -8.079 1.041 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.498 -11.311 1.390 1.00 1.00 C ATOM 1068 CG GLU A 72 -8.163 -12.690 0.818 1.00 1.00 C ATOM 1069 CD GLU A 72 -8.080 -13.739 1.928 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -7.066 -13.712 2.659 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -9.032 -14.543 2.022 1.00 1.00 O ATOM 0 H GLU A 72 -8.189 -11.856 -1.011 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.445 -9.758 0.279 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -7.785 -11.055 2.173 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -9.485 -11.335 1.853 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -8.923 -12.982 0.094 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -7.214 -12.645 0.284 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.161 -9.543 0.343 1.00 1.00 N ATOM 1079 CA GLY A 73 -5.053 -8.634 0.581 1.00 1.00 C ATOM 1080 C GLY A 73 -5.352 -7.244 0.016 1.00 1.00 C ATOM 1081 O GLY A 73 -5.685 -6.325 0.763 1.00 1.00 O ATOM 0 H GLY A 73 -5.893 -10.456 -0.025 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.861 -8.562 1.652 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.148 -9.030 0.121 1.00 1.00 H new ATOM 1085 N MET A 74 -5.224 -7.135 -1.298 1.00 1.00 N ATOM 1086 CA MET A 74 -5.476 -5.872 -1.972 1.00 1.00 C ATOM 1087 C MET A 74 -6.873 -5.344 -1.641 1.00 1.00 C ATOM 1088 O MET A 74 -7.066 -4.138 -1.493 1.00 1.00 O ATOM 1089 CB MET A 74 -5.349 -6.067 -3.484 1.00 1.00 C ATOM 1090 CG MET A 74 -6.260 -7.195 -3.971 1.00 1.00 C ATOM 1091 SD MET A 74 -7.719 -6.514 -4.741 1.00 1.00 S ATOM 1092 CE MET A 74 -8.657 -8.009 -5.006 1.00 1.00 C ATOM 0 H MET A 74 -4.949 -7.900 -1.914 1.00 1.00 H new ATOM 0 HA MET A 74 -4.742 -5.144 -1.627 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.607 -5.140 -3.996 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.314 -6.295 -3.739 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.724 -7.825 -4.681 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.545 -7.831 -3.133 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.456 -7.815 -5.722 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.000 -8.786 -5.397 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.088 -8.340 -4.061 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.812 -6.273 -1.533 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.186 -5.915 -1.222 1.00 1.00 C ATOM 1104 C ALA A 75 -9.197 -4.898 -0.080 1.00 1.00 C ATOM 1105 O ALA A 75 -9.783 -3.823 -0.207 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.979 -7.180 -0.885 1.00 1.00 C ATOM 0 H ALA A 75 -7.649 -7.272 -1.655 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.666 -5.449 -2.083 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -11.009 -6.912 -0.652 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.965 -7.857 -1.739 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.528 -7.673 -0.024 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.543 -5.272 1.010 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.471 -4.405 2.174 1.00 1.00 C ATOM 1114 C ALA A 76 -7.787 -3.093 1.785 1.00 1.00 C ATOM 1115 O ALA A 76 -8.375 -2.020 1.915 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.740 -5.130 3.306 1.00 1.00 C ATOM 0 H ALA A 76 -8.058 -6.164 1.112 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.471 -4.162 2.534 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.686 -4.480 4.179 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.281 -6.040 3.564 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.732 -5.387 2.982 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.555 -3.221 1.317 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.785 -2.058 0.909 1.00 1.00 C ATOM 1124 C ILE A 77 -6.665 -1.142 0.057 1.00 1.00 C ATOM 1125 O ILE A 77 -6.836 0.034 0.377 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.492 -2.489 0.213 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.298 -2.390 1.164 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.269 -1.690 -1.073 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.323 -1.072 1.941 1.00 1.00 C ATOM 0 H ILE A 77 -6.070 -4.112 1.211 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.475 -1.482 1.781 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.590 -3.537 -0.072 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.314 -3.228 1.861 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.370 -2.464 0.597 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.344 -2.016 -1.548 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.104 -1.856 -1.754 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.200 -0.629 -0.835 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.463 -1.027 2.610 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.283 -0.237 1.242 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.241 -1.012 2.526 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.202 -1.714 -1.010 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.061 -0.963 -1.910 1.00 1.00 C ATOM 1143 C VAL A 78 -9.161 -0.274 -1.101 1.00 1.00 C ATOM 1144 O VAL A 78 -9.260 0.952 -1.100 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.610 -1.885 -3.001 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.232 -1.077 -4.141 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.520 -2.823 -3.525 1.00 1.00 C ATOM 0 H VAL A 78 -7.059 -2.689 -1.272 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.493 -0.183 -2.418 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.395 -2.497 -2.558 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.614 -1.757 -4.902 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.050 -0.470 -3.753 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.476 -0.427 -4.581 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -7.936 -3.468 -4.299 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.703 -2.234 -3.943 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.143 -3.436 -2.706 1.00 1.00 H new ATOM 1157 N GLU A 79 -9.960 -1.092 -0.431 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.049 -0.576 0.380 1.00 1.00 C ATOM 1159 C GLU A 79 -10.522 0.447 1.388 1.00 1.00 C ATOM 1160 O GLU A 79 -11.098 1.522 1.547 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.791 -1.711 1.088 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.124 -2.010 0.398 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.298 -1.776 1.351 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.394 -0.641 1.865 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -15.073 -2.738 1.543 1.00 1.00 O ATOM 0 H GLU A 79 -9.875 -2.108 -0.434 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.760 -0.076 -0.278 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.171 -2.608 1.093 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.969 -1.440 2.129 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.233 -1.376 -0.482 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.134 -3.043 0.049 1.00 1.00 H new ATOM 1172 N THR A 80 -9.431 0.077 2.043 1.00 1.00 N ATOM 1173 CA THR A 80 -8.820 0.949 3.032 1.00 1.00 C ATOM 1174 C THR A 80 -8.359 2.254 2.379 1.00 1.00 C ATOM 1175 O THR A 80 -8.563 3.334 2.932 1.00 1.00 O ATOM 1176 CB THR A 80 -7.687 0.175 3.708 1.00 1.00 C ATOM 1177 OG1 THR A 80 -8.029 0.197 5.091 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.350 0.917 3.643 1.00 1.00 C ATOM 0 H THR A 80 -8.955 -0.815 1.908 1.00 1.00 H new ATOM 0 HA THR A 80 -9.537 1.241 3.799 1.00 1.00 H new ATOM 0 HB THR A 80 -7.583 -0.802 3.236 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.347 -0.285 5.604 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.580 0.324 4.137 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.072 1.076 2.601 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.444 1.880 4.144 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.746 2.111 1.213 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.255 3.265 0.480 1.00 1.00 C ATOM 1188 C LEU A 81 -8.354 4.327 0.414 1.00 1.00 C ATOM 1189 O LEU A 81 -8.104 5.502 0.678 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.725 2.842 -0.892 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.318 2.242 -0.911 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.376 3.079 -1.778 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.780 2.061 0.510 1.00 1.00 C ATOM 0 H LEU A 81 -7.578 1.214 0.758 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.408 3.714 0.999 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.415 2.113 -1.317 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.736 3.712 -1.548 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.375 1.252 -1.362 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.383 2.630 -1.774 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.755 3.112 -2.799 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.318 4.092 -1.379 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.778 1.633 0.468 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.740 3.029 1.010 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.437 1.392 1.066 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.549 3.876 0.059 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.687 4.773 -0.046 1.00 1.00 C ATOM 1207 C GLN A 82 -11.480 4.779 1.263 1.00 1.00 C ATOM 1208 O GLN A 82 -12.315 5.655 1.483 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.580 4.390 -1.227 1.00 1.00 C ATOM 1210 CG GLN A 82 -10.822 3.515 -2.227 1.00 1.00 C ATOM 1211 CD GLN A 82 -11.359 2.082 -2.220 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -12.222 1.719 -1.438 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -10.801 1.291 -3.132 1.00 1.00 N ATOM 0 H GLN A 82 -9.753 2.901 -0.159 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.315 5.781 -0.227 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.459 3.857 -0.865 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -11.937 5.292 -1.725 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.915 3.937 -3.228 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -9.760 3.510 -1.980 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -10.083 1.659 -3.756 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -11.091 0.316 -3.207 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.191 3.790 2.097 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.868 3.670 3.377 1.00 1.00 C ATOM 1224 C LYS A 83 -11.194 4.595 4.393 1.00 1.00 C ATOM 1225 O LYS A 83 -11.871 5.273 5.165 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.922 2.206 3.819 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.410 2.047 5.252 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.562 0.602 5.732 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.543 -0.372 4.551 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.828 -1.749 5.012 1.00 1.00 N ATOM 0 H LYS A 83 -10.498 3.065 1.911 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.906 3.991 3.291 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.946 1.840 3.752 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.321 1.596 3.144 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.362 2.342 5.302 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.961 2.714 5.915 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.755 0.358 6.423 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.497 0.494 6.282 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.283 -0.069 3.810 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.570 -0.340 4.061 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.811 -2.398 4.199 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -11.107 -2.040 5.702 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.767 -1.778 5.459 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.870 4.593 4.360 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.097 5.423 5.269 1.00 1.00 C ATOM 1246 C GLU A 84 -8.779 6.770 4.616 1.00 1.00 C ATOM 1247 O GLU A 84 -7.926 7.512 5.100 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.817 4.711 5.708 1.00 1.00 C ATOM 1249 CG GLU A 84 -8.061 3.213 5.901 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.972 2.956 7.103 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.835 3.825 7.357 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -8.785 1.898 7.741 1.00 1.00 O ATOM 0 H GLU A 84 -9.312 4.030 3.718 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.696 5.606 6.161 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.038 4.863 4.961 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.455 5.147 6.639 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.514 2.796 5.001 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -7.109 2.702 6.046 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.483 7.045 3.528 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.287 8.290 2.805 1.00 1.00 C ATOM 1261 C GLY A 85 -7.805 8.519 2.500 1.00 1.00 C ATOM 1262 O GLY A 85 -7.355 9.660 2.412 1.00 1.00 O ATOM 0 H GLY A 85 -10.190 6.427 3.130 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -9.854 8.268 1.875 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.674 9.122 3.394 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.088 7.415 2.348 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.666 7.481 2.055 1.00 1.00 C ATOM 1268 C LEU A 86 -5.459 7.427 0.540 1.00 1.00 C ATOM 1269 O LEU A 86 -4.394 7.789 0.042 1.00 1.00 O ATOM 1270 CB LEU A 86 -4.910 6.392 2.819 1.00 1.00 C ATOM 1271 CG LEU A 86 -4.182 6.843 4.086 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.507 5.660 4.781 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -3.191 7.968 3.777 1.00 1.00 C ATOM 0 H LEU A 86 -7.465 6.470 2.422 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.249 8.427 2.400 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.618 5.608 3.090 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.180 5.943 2.145 1.00 1.00 H new ATOM 0 HG LEU A 86 -4.920 7.245 4.780 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -2.997 6.008 5.679 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.260 4.921 5.055 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -2.783 5.206 4.105 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -2.686 8.271 4.695 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.453 7.615 3.057 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.727 8.820 3.359 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.493 6.971 -0.151 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.438 6.865 -1.599 1.00 1.00 C ATOM 1287 C ALA A 87 -7.859 6.738 -2.151 1.00 1.00 C ATOM 1288 O ALA A 87 -8.777 6.352 -1.430 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.553 5.680 -1.990 1.00 1.00 C ATOM 0 H ALA A 87 -7.374 6.670 0.265 1.00 1.00 H new ATOM 0 HA ALA A 87 -5.995 7.761 -2.033 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.511 5.600 -3.076 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.547 5.832 -1.598 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -5.969 4.762 -1.574 1.00 1.00 H new ATOM 1295 N GLU A 88 -7.996 7.071 -3.427 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.289 7.000 -4.084 1.00 1.00 C ATOM 1297 C GLU A 88 -9.499 5.612 -4.694 1.00 1.00 C ATOM 1298 O GLU A 88 -8.664 4.725 -4.528 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.425 8.092 -5.147 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.168 8.173 -6.014 1.00 1.00 C ATOM 1301 CD GLU A 88 -8.515 8.589 -7.445 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -9.442 7.968 -8.008 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -7.844 9.519 -7.944 1.00 1.00 O ATOM 0 H GLU A 88 -7.232 7.391 -4.023 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.064 7.168 -3.336 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -10.292 7.887 -5.775 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -9.601 9.054 -4.665 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -7.470 8.890 -5.582 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.666 7.206 -6.024 1.00 1.00 H new ATOM 1310 N GLN A 89 -10.619 5.469 -5.387 1.00 1.00 N ATOM 1311 CA GLN A 89 -10.949 4.205 -6.023 1.00 1.00 C ATOM 1312 C GLN A 89 -10.316 4.128 -7.414 1.00 1.00 C ATOM 1313 O GLN A 89 -10.331 3.076 -8.049 1.00 1.00 O ATOM 1314 CB GLN A 89 -12.464 4.008 -6.098 1.00 1.00 C ATOM 1315 CG GLN A 89 -13.120 5.112 -6.930 1.00 1.00 C ATOM 1316 CD GLN A 89 -13.940 4.520 -8.078 1.00 1.00 C ATOM 1317 OE1 GLN A 89 -15.109 4.200 -7.940 1.00 1.00 O ATOM 1318 NE2 GLN A 89 -13.264 4.392 -9.216 1.00 1.00 N ATOM 0 H GLN A 89 -11.309 6.208 -5.522 1.00 1.00 H new ATOM 0 HA GLN A 89 -10.540 3.398 -5.415 1.00 1.00 H new ATOM 0 HB2 GLN A 89 -12.687 3.036 -6.537 1.00 1.00 H new ATOM 0 HB3 GLN A 89 -12.884 4.007 -5.092 1.00 1.00 H new ATOM 0 HG2 GLN A 89 -13.764 5.718 -6.293 1.00 1.00 H new ATOM 0 HG3 GLN A 89 -12.353 5.775 -7.330 1.00 1.00 H new ATOM 0 HE21 GLN A 89 -12.287 4.680 -9.264 1.00 1.00 H new ATOM 0 HE22 GLN A 89 -13.723 4.006 -10.041 1.00 1.00 H new TER 1327 GLN A 89