USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 646 hydrogens (35 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -168:sc= 1.19 (180deg=0.913) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 4 GLN : amide:sc= -0.818 K(o=-0.82,f=-1.8) USER MOD Single : A 16 ASN :FLIP amide:sc= -8.85! C(o=-12!,f=-8.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 78:sc= 0.212 USER MOD Single : A 33 THR OG1 : rot 57:sc= 0.951 USER MOD Single : A 42 SER OG : rot 56:sc= 1.23 USER MOD Single : A 43 MET CE :methyl 175:sc= -4.37! (180deg=-4.63!) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0.82 (180deg=0.607) USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.116 (180deg=-0.613) USER MOD Single : A 65 ASN : amide:sc= -0.0705 X(o=-0.071,f=0.21!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -86:sc= 2.2 USER MOD Single : A 73 THR OG1 : rot 103:sc= 1.28 USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.0885 (180deg=-0.512) USER MOD Single : A 75 TYR OH : rot -13:sc= -2.04! USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.691 K(o=-0.69,f=-6.4!) USER MOD Single : A 101 SYO O33 : rot 141:sc= 0.166 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.109 -5.893 5.134 1.00 1.42 N ATOM 2 CA ALA A 1 13.794 -5.825 3.712 1.00 0.94 C ATOM 3 C ALA A 1 13.277 -7.153 3.249 1.00 0.83 C ATOM 4 O ALA A 1 13.481 -8.173 3.910 1.00 1.23 O ATOM 5 CB ALA A 1 15.009 -5.388 2.905 1.00 1.13 C ATOM 0 H1 ALA A 1 14.271 -4.933 5.500 1.00 1.42 H new ATOM 0 H2 ALA A 1 13.315 -6.329 5.645 1.00 1.42 H new ATOM 0 H3 ALA A 1 14.966 -6.466 5.273 1.00 1.42 H new ATOM 0 HA ALA A 1 13.018 -5.076 3.554 1.00 0.94 H new ATOM 0 HB1 ALA A 1 14.747 -5.345 1.848 1.00 1.13 H new ATOM 0 HB2 ALA A 1 15.332 -4.402 3.239 1.00 1.13 H new ATOM 0 HB3 ALA A 1 15.818 -6.103 3.050 1.00 1.13 H new ATOM 13 N ALA A 2 12.576 -7.126 2.146 1.00 0.85 N ATOM 14 CA ALA A 2 11.949 -8.276 1.565 1.00 1.24 C ATOM 15 C ALA A 2 11.544 -7.907 0.147 1.00 1.16 C ATOM 16 O ALA A 2 12.151 -7.020 -0.452 1.00 1.77 O ATOM 17 CB ALA A 2 10.730 -8.656 2.392 1.00 1.85 C ATOM 0 H ALA A 2 12.423 -6.271 1.612 1.00 0.85 H new ATOM 0 HA ALA A 2 12.626 -9.130 1.547 1.00 1.24 H new ATOM 0 HB1 ALA A 2 10.251 -9.531 1.953 1.00 1.85 H new ATOM 0 HB2 ALA A 2 11.039 -8.886 3.412 1.00 1.85 H new ATOM 0 HB3 ALA A 2 10.026 -7.824 2.405 1.00 1.85 H new ATOM 23 N THR A 3 10.571 -8.574 -0.389 1.00 0.54 N ATOM 24 CA THR A 3 10.119 -8.299 -1.728 1.00 0.48 C ATOM 25 C THR A 3 8.592 -8.179 -1.750 1.00 0.35 C ATOM 26 O THR A 3 7.952 -8.175 -0.692 1.00 0.35 O ATOM 27 CB THR A 3 10.629 -9.387 -2.736 1.00 0.59 C ATOM 28 OG1 THR A 3 10.323 -9.021 -4.101 1.00 0.66 O ATOM 29 CG2 THR A 3 10.005 -10.738 -2.424 1.00 0.66 C ATOM 0 H THR A 3 10.065 -9.324 0.083 1.00 0.54 H new ATOM 0 HA THR A 3 10.541 -7.347 -2.050 1.00 0.48 H new ATOM 0 HB THR A 3 11.711 -9.454 -2.626 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.654 -9.716 -4.708 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.371 -11.480 -3.134 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.276 -11.039 -1.412 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.920 -10.665 -2.502 1.00 0.66 H new ATOM 37 N GLN A 4 8.031 -8.111 -2.947 1.00 0.32 N ATOM 38 CA GLN A 4 6.588 -7.986 -3.191 1.00 0.28 C ATOM 39 C GLN A 4 5.753 -8.985 -2.413 1.00 0.27 C ATOM 40 O GLN A 4 4.713 -8.623 -1.873 1.00 0.26 O ATOM 41 CB GLN A 4 6.267 -8.044 -4.713 1.00 0.33 C ATOM 42 CG GLN A 4 4.770 -8.231 -5.054 1.00 0.37 C ATOM 43 CD GLN A 4 4.342 -9.702 -5.099 1.00 0.39 C ATOM 44 OE1 GLN A 4 5.127 -10.571 -5.470 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.147 -10.000 -4.660 1.00 0.48 N ATOM 0 H GLN A 4 8.578 -8.142 -3.808 1.00 0.32 H new ATOM 0 HA GLN A 4 6.304 -7.003 -2.815 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.619 -7.124 -5.179 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.832 -8.863 -5.158 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.167 -7.706 -4.313 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.563 -7.769 -6.019 1.00 0.37 H new ATOM 0 HE21 GLN A 4 2.515 -9.259 -4.358 1.00 0.48 H new ATOM 0 HE22 GLN A 4 2.847 -10.974 -4.619 1.00 0.48 H new ATOM 54 N GLU A 5 6.217 -10.216 -2.342 1.00 0.33 N ATOM 55 CA GLU A 5 5.481 -11.290 -1.684 1.00 0.40 C ATOM 56 C GLU A 5 5.254 -11.017 -0.202 1.00 0.39 C ATOM 57 O GLU A 5 4.311 -11.517 0.389 1.00 0.55 O ATOM 58 CB GLU A 5 6.180 -12.622 -1.894 1.00 0.57 C ATOM 59 CG GLU A 5 6.324 -12.984 -3.353 1.00 0.85 C ATOM 60 CD GLU A 5 6.887 -14.353 -3.561 1.00 1.88 C ATOM 61 OE1 GLU A 5 6.111 -15.321 -3.569 1.00 2.37 O ATOM 62 OE2 GLU A 5 8.101 -14.489 -3.745 1.00 2.66 O ATOM 0 H GLU A 5 7.112 -10.505 -2.736 1.00 0.33 H new ATOM 0 HA GLU A 5 4.495 -11.336 -2.147 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.168 -12.585 -1.434 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.620 -13.405 -1.384 1.00 0.57 H new ATOM 0 HG2 GLU A 5 5.349 -12.921 -3.836 1.00 0.85 H new ATOM 0 HG3 GLU A 5 6.969 -12.254 -3.841 1.00 0.85 H new ATOM 69 N GLU A 6 6.110 -10.229 0.374 1.00 0.36 N ATOM 70 CA GLU A 6 5.983 -9.838 1.752 1.00 0.42 C ATOM 71 C GLU A 6 5.097 -8.601 1.840 1.00 0.32 C ATOM 72 O GLU A 6 4.340 -8.412 2.794 1.00 0.37 O ATOM 73 CB GLU A 6 7.368 -9.507 2.286 1.00 0.55 C ATOM 74 CG GLU A 6 7.421 -9.167 3.752 1.00 0.82 C ATOM 75 CD GLU A 6 6.969 -10.302 4.621 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.739 -11.265 4.827 1.00 2.05 O ATOM 77 OE2 GLU A 6 5.825 -10.261 5.109 1.00 2.73 O ATOM 0 H GLU A 6 6.923 -9.834 -0.099 1.00 0.36 H new ATOM 0 HA GLU A 6 5.539 -10.644 2.336 1.00 0.42 H new ATOM 0 HB2 GLU A 6 8.025 -10.357 2.102 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.768 -8.667 1.719 1.00 0.55 H new ATOM 0 HG2 GLU A 6 8.441 -8.891 4.021 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.794 -8.296 3.943 1.00 0.82 H new ATOM 84 N ILE A 7 5.151 -7.800 0.805 1.00 0.21 N ATOM 85 CA ILE A 7 4.508 -6.525 0.801 1.00 0.16 C ATOM 86 C ILE A 7 3.034 -6.665 0.524 1.00 0.14 C ATOM 87 O ILE A 7 2.249 -6.423 1.383 1.00 0.18 O ATOM 88 CB ILE A 7 5.173 -5.637 -0.253 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.635 -5.435 0.124 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.451 -4.300 -0.366 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.450 -4.763 -0.934 1.00 0.23 C ATOM 0 H ILE A 7 5.646 -8.022 -0.059 1.00 0.21 H new ATOM 0 HA ILE A 7 4.614 -6.067 1.784 1.00 0.16 H new ATOM 0 HB ILE A 7 5.115 -6.123 -1.227 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.685 -4.843 1.038 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.079 -6.405 0.348 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.941 -3.685 -1.121 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.413 -4.470 -0.653 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.482 -3.787 0.595 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.478 -4.656 -0.588 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.433 -5.364 -1.843 1.00 0.23 H new ATOM 0 HD13 ILE A 7 7.034 -3.778 -1.143 1.00 0.23 H new ATOM 103 N VAL A 8 2.683 -7.097 -0.652 1.00 0.13 N ATOM 104 CA VAL A 8 1.281 -7.242 -1.053 1.00 0.15 C ATOM 105 C VAL A 8 0.497 -8.097 -0.074 1.00 0.18 C ATOM 106 O VAL A 8 -0.587 -7.700 0.357 1.00 0.25 O ATOM 107 CB VAL A 8 1.179 -7.789 -2.487 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.270 -7.974 -2.928 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.896 -6.862 -3.429 1.00 0.17 C ATOM 0 H VAL A 8 3.351 -7.364 -1.375 1.00 0.13 H new ATOM 0 HA VAL A 8 0.829 -6.250 -1.036 1.00 0.15 H new ATOM 0 HB VAL A 8 1.649 -8.772 -2.506 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.294 -8.362 -3.946 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.767 -8.678 -2.260 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.786 -7.015 -2.893 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.824 -7.249 -4.445 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.440 -5.873 -3.384 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.945 -6.791 -3.141 1.00 0.17 H new ATOM 119 N ALA A 9 1.058 -9.224 0.302 1.00 0.18 N ATOM 120 CA ALA A 9 0.435 -10.105 1.264 1.00 0.22 C ATOM 121 C ALA A 9 0.136 -9.378 2.584 1.00 0.21 C ATOM 122 O ALA A 9 -0.942 -9.546 3.160 1.00 0.27 O ATOM 123 CB ALA A 9 1.318 -11.307 1.525 1.00 0.26 C ATOM 0 H ALA A 9 1.957 -9.555 -0.049 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.512 -10.439 0.841 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.836 -11.962 2.251 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.476 -11.852 0.594 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.279 -10.974 1.918 1.00 0.26 H new ATOM 129 N GLY A 10 1.071 -8.532 3.007 1.00 0.18 N ATOM 130 CA GLY A 10 0.953 -7.844 4.248 1.00 0.18 C ATOM 131 C GLY A 10 0.148 -6.588 4.143 1.00 0.15 C ATOM 132 O GLY A 10 -0.554 -6.209 5.069 1.00 0.16 O ATOM 0 H GLY A 10 1.922 -8.318 2.487 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.492 -8.505 4.982 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.949 -7.601 4.619 1.00 0.18 H new ATOM 136 N LEU A 11 0.244 -5.944 3.006 1.00 0.14 N ATOM 137 CA LEU A 11 -0.433 -4.708 2.750 1.00 0.13 C ATOM 138 C LEU A 11 -1.901 -4.994 2.654 1.00 0.14 C ATOM 139 O LEU A 11 -2.720 -4.204 3.090 1.00 0.16 O ATOM 140 CB LEU A 11 0.094 -4.091 1.458 1.00 0.13 C ATOM 141 CG LEU A 11 0.346 -2.579 1.462 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.899 -2.149 0.121 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.918 -1.814 1.788 1.00 0.20 C ATOM 0 H LEU A 11 0.806 -6.275 2.222 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.256 -3.994 3.555 1.00 0.13 H new ATOM 0 HB2 LEU A 11 1.029 -4.590 1.201 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.616 -4.314 0.662 1.00 0.13 H new ATOM 0 HG LEU A 11 1.077 -2.352 2.238 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.077 -1.074 0.129 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.837 -2.670 -0.070 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.182 -2.393 -0.663 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.707 -0.745 1.783 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.681 -2.037 1.042 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.278 -2.109 2.774 1.00 0.20 H new ATOM 155 N ALA A 12 -2.217 -6.166 2.110 1.00 0.12 N ATOM 156 CA ALA A 12 -3.567 -6.654 2.067 1.00 0.13 C ATOM 157 C ALA A 12 -4.123 -6.665 3.462 1.00 0.11 C ATOM 158 O ALA A 12 -5.200 -6.147 3.698 1.00 0.13 O ATOM 159 CB ALA A 12 -3.595 -8.052 1.506 1.00 0.14 C ATOM 0 H ALA A 12 -1.533 -6.795 1.689 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.167 -6.006 1.428 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.623 -8.412 1.478 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.184 -8.047 0.496 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.997 -8.709 2.137 1.00 0.14 H new ATOM 165 N GLU A 13 -3.322 -7.190 4.391 1.00 0.12 N ATOM 166 CA GLU A 13 -3.682 -7.292 5.794 1.00 0.13 C ATOM 167 C GLU A 13 -3.919 -5.945 6.409 1.00 0.15 C ATOM 168 O GLU A 13 -4.888 -5.756 7.130 1.00 0.19 O ATOM 169 CB GLU A 13 -2.640 -8.048 6.562 1.00 0.18 C ATOM 170 CG GLU A 13 -2.452 -9.459 6.086 1.00 0.23 C ATOM 171 CD GLU A 13 -1.350 -10.134 6.830 1.00 0.36 C ATOM 172 OE1 GLU A 13 -1.570 -10.514 7.992 1.00 0.68 O ATOM 173 OE2 GLU A 13 -0.231 -10.261 6.304 1.00 0.52 O ATOM 0 H GLU A 13 -2.395 -7.559 4.181 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.619 -7.846 5.846 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.690 -7.518 6.488 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -2.916 -8.062 7.616 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.379 -10.017 6.218 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.228 -9.459 5.019 1.00 0.23 H new ATOM 180 N ILE A 14 -3.064 -5.011 6.096 1.00 0.14 N ATOM 181 CA ILE A 14 -3.219 -3.629 6.574 1.00 0.17 C ATOM 182 C ILE A 14 -4.567 -3.067 6.100 1.00 0.18 C ATOM 183 O ILE A 14 -5.296 -2.431 6.850 1.00 0.22 O ATOM 184 CB ILE A 14 -2.079 -2.762 6.029 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.764 -3.344 6.485 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.217 -1.334 6.526 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.413 -2.828 5.753 1.00 0.25 C ATOM 0 H ILE A 14 -2.243 -5.164 5.510 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.188 -3.620 7.664 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.120 -2.750 4.940 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.637 -3.137 7.548 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -0.801 -4.428 6.374 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.400 -0.731 6.130 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.168 -0.922 6.190 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.182 -1.323 7.615 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.317 -3.296 6.142 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.312 -3.059 4.693 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.479 -1.748 5.885 1.00 0.25 H new ATOM 199 N VAL A 15 -4.920 -3.393 4.880 1.00 0.15 N ATOM 200 CA VAL A 15 -6.144 -2.931 4.267 1.00 0.17 C ATOM 201 C VAL A 15 -7.353 -3.618 4.923 1.00 0.18 C ATOM 202 O VAL A 15 -8.483 -3.132 4.874 1.00 0.22 O ATOM 203 CB VAL A 15 -6.130 -3.144 2.727 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.395 -2.667 2.091 1.00 0.27 C ATOM 205 CG2 VAL A 15 -4.985 -2.402 2.121 1.00 0.23 C ATOM 0 H VAL A 15 -4.359 -3.994 4.277 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.227 -1.857 4.433 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.030 -4.215 2.548 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.346 -2.833 1.015 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.240 -3.217 2.505 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.523 -1.603 2.288 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -4.982 -2.556 1.042 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.087 -1.338 2.335 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.049 -2.769 2.543 1.00 0.23 H new ATOM 215 N ASN A 16 -7.098 -4.744 5.532 1.00 0.16 N ATOM 216 CA ASN A 16 -8.145 -5.495 6.235 1.00 0.20 C ATOM 217 C ASN A 16 -8.340 -4.851 7.588 1.00 0.25 C ATOM 218 O ASN A 16 -9.451 -4.520 7.987 1.00 0.34 O ATOM 219 CB ASN A 16 -7.760 -6.975 6.506 1.00 0.20 C ATOM 220 CG ASN A 16 -7.148 -7.722 5.372 1.00 0.19 C ATOM 221 OD1 ASN A 16 -7.568 -7.466 4.192 1.00 0.21 O flip ATOM 222 ND2 ASN A 16 -6.333 -8.608 5.579 1.00 0.27 N flip ATOM 0 H ASN A 16 -6.175 -5.177 5.565 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.034 -5.479 5.604 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.064 -6.998 7.345 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.657 -7.508 6.821 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -6.012 -8.794 6.529 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -5.973 -9.162 4.802 1.00 0.27 H new ATOM 229 N GLU A 17 -7.228 -4.661 8.272 1.00 0.26 N ATOM 230 CA GLU A 17 -7.200 -4.145 9.621 1.00 0.35 C ATOM 231 C GLU A 17 -7.651 -2.678 9.693 1.00 0.38 C ATOM 232 O GLU A 17 -8.536 -2.336 10.482 1.00 0.47 O ATOM 233 CB GLU A 17 -5.799 -4.354 10.223 1.00 0.41 C ATOM 234 CG GLU A 17 -5.387 -5.835 10.275 1.00 0.46 C ATOM 235 CD GLU A 17 -4.037 -6.074 10.916 1.00 1.22 C ATOM 236 OE1 GLU A 17 -3.897 -5.922 12.150 1.00 1.35 O ATOM 237 OE2 GLU A 17 -3.080 -6.413 10.188 1.00 2.07 O ATOM 0 H GLU A 17 -6.303 -4.866 7.895 1.00 0.26 H new ATOM 0 HA GLU A 17 -7.921 -4.702 10.219 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.069 -3.799 9.634 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -5.776 -3.940 11.231 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -6.144 -6.393 10.826 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -5.372 -6.234 9.261 1.00 0.46 H new ATOM 244 N ILE A 18 -7.078 -1.834 8.856 1.00 0.32 N ATOM 245 CA ILE A 18 -7.422 -0.408 8.830 1.00 0.38 C ATOM 246 C ILE A 18 -8.826 -0.222 8.247 1.00 0.39 C ATOM 247 O ILE A 18 -9.700 0.400 8.864 1.00 0.43 O ATOM 248 CB ILE A 18 -6.422 0.364 7.919 1.00 0.45 C ATOM 249 CG1 ILE A 18 -4.971 0.211 8.420 1.00 0.47 C ATOM 250 CG2 ILE A 18 -6.805 1.844 7.807 1.00 0.65 C ATOM 251 CD1 ILE A 18 -4.607 1.007 9.656 1.00 0.58 C ATOM 0 H ILE A 18 -6.366 -2.105 8.177 1.00 0.32 H new ATOM 0 HA ILE A 18 -7.379 -0.026 9.850 1.00 0.38 H new ATOM 0 HB ILE A 18 -6.480 -0.077 6.924 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -4.788 -0.844 8.625 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -4.297 0.501 7.614 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.089 2.357 7.165 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -7.804 1.930 7.379 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -6.795 2.298 8.798 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -3.565 0.821 9.915 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -4.748 2.070 9.459 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -5.246 0.704 10.485 1.00 0.58 H new ATOM 263 N ALA A 19 -9.045 -0.775 7.076 1.00 0.39 N ATOM 264 CA ALA A 19 -10.293 -0.583 6.388 1.00 0.44 C ATOM 265 C ALA A 19 -11.228 -1.767 6.600 1.00 0.41 C ATOM 266 O ALA A 19 -11.974 -1.812 7.584 1.00 0.54 O ATOM 267 CB ALA A 19 -10.050 -0.305 4.909 1.00 0.48 C ATOM 0 H ALA A 19 -8.372 -1.361 6.583 1.00 0.39 H new ATOM 0 HA ALA A 19 -10.789 0.291 6.811 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.005 -0.162 4.404 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -9.445 0.596 4.803 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -9.526 -1.149 4.461 1.00 0.48 H new ATOM 273 N GLY A 20 -11.147 -2.741 5.728 1.00 0.34 N ATOM 274 CA GLY A 20 -11.992 -3.911 5.849 1.00 0.33 C ATOM 275 C GLY A 20 -12.030 -4.745 4.595 1.00 0.32 C ATOM 276 O GLY A 20 -13.077 -5.257 4.212 1.00 0.43 O ATOM 0 H GLY A 20 -10.511 -2.751 4.931 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.636 -4.525 6.676 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.005 -3.596 6.099 1.00 0.33 H new ATOM 280 N ILE A 21 -10.901 -4.868 3.946 1.00 0.27 N ATOM 281 CA ILE A 21 -10.794 -5.710 2.772 1.00 0.26 C ATOM 282 C ILE A 21 -10.621 -7.163 3.204 1.00 0.25 C ATOM 283 O ILE A 21 -10.187 -7.410 4.299 1.00 0.24 O ATOM 284 CB ILE A 21 -9.639 -5.211 1.821 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.179 -4.287 0.709 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.724 -6.312 1.258 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.842 -3.012 1.200 1.00 0.29 C ATOM 0 H ILE A 21 -10.036 -4.395 4.209 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.712 -5.645 2.188 1.00 0.26 H new ATOM 0 HB ILE A 21 -8.985 -4.629 2.470 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.355 -4.019 0.048 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.899 -4.846 0.111 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.965 -5.862 0.618 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.239 -6.838 2.080 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.318 -7.017 0.676 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.188 -2.430 0.346 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.691 -3.265 1.835 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.123 -2.425 1.772 1.00 0.29 H new ATOM 299 N PRO A 22 -10.995 -8.118 2.369 1.00 0.29 N ATOM 300 CA PRO A 22 -10.882 -9.562 2.663 1.00 0.35 C ATOM 301 C PRO A 22 -9.532 -10.200 2.265 1.00 0.45 C ATOM 302 O PRO A 22 -9.502 -11.360 1.875 1.00 1.08 O ATOM 303 CB PRO A 22 -11.948 -10.159 1.767 1.00 0.37 C ATOM 304 CG PRO A 22 -12.640 -9.018 1.120 1.00 0.44 C ATOM 305 CD PRO A 22 -11.681 -7.905 1.119 1.00 0.34 C ATOM 0 HA PRO A 22 -10.978 -9.736 3.735 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.504 -10.817 1.020 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.649 -10.761 2.346 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.943 -9.272 0.104 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.545 -8.752 1.666 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -11.003 -7.948 0.266 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.178 -6.935 1.083 1.00 0.34 H new ATOM 313 N VAL A 23 -8.452 -9.434 2.350 1.00 0.39 N ATOM 314 CA VAL A 23 -7.014 -9.840 2.069 1.00 0.32 C ATOM 315 C VAL A 23 -6.717 -10.347 0.633 1.00 0.42 C ATOM 316 O VAL A 23 -5.605 -10.231 0.146 1.00 0.81 O ATOM 317 CB VAL A 23 -6.402 -10.800 3.179 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.892 -12.241 3.092 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.889 -10.750 3.220 1.00 0.33 C ATOM 0 H VAL A 23 -8.521 -8.455 2.629 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.485 -8.889 2.130 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.780 -10.401 4.120 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.429 -12.831 3.883 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.975 -12.265 3.209 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.623 -12.659 2.122 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.524 -11.424 3.995 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.488 -11.057 2.254 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.564 -9.733 3.441 1.00 0.33 H new ATOM 329 N GLU A 24 -7.722 -10.778 -0.044 1.00 0.33 N ATOM 330 CA GLU A 24 -7.588 -11.379 -1.344 1.00 0.40 C ATOM 331 C GLU A 24 -7.749 -10.380 -2.468 1.00 0.34 C ATOM 332 O GLU A 24 -7.288 -10.611 -3.579 1.00 0.44 O ATOM 333 CB GLU A 24 -8.615 -12.476 -1.456 1.00 0.57 C ATOM 334 CG GLU A 24 -8.318 -13.669 -0.567 1.00 1.36 C ATOM 335 CD GLU A 24 -7.073 -14.386 -1.009 1.00 1.86 C ATOM 336 OE1 GLU A 24 -7.124 -15.045 -2.067 1.00 2.20 O ATOM 337 OE2 GLU A 24 -6.028 -14.307 -0.325 1.00 2.31 O ATOM 0 H GLU A 24 -8.685 -10.726 0.289 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.579 -11.780 -1.443 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -9.595 -12.074 -1.198 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -8.670 -12.809 -2.493 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -8.201 -13.336 0.464 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -9.163 -14.358 -0.586 1.00 1.36 H new ATOM 344 N ASP A 25 -8.374 -9.259 -2.177 1.00 0.28 N ATOM 345 CA ASP A 25 -8.643 -8.259 -3.216 1.00 0.29 C ATOM 346 C ASP A 25 -7.420 -7.466 -3.533 1.00 0.25 C ATOM 347 O ASP A 25 -7.225 -7.036 -4.667 1.00 0.28 O ATOM 348 CB ASP A 25 -9.792 -7.317 -2.840 1.00 0.35 C ATOM 349 CG ASP A 25 -11.143 -7.961 -2.958 1.00 0.94 C ATOM 350 OD1 ASP A 25 -11.752 -7.898 -4.046 1.00 1.57 O ATOM 351 OD2 ASP A 25 -11.626 -8.542 -1.975 1.00 1.59 O ATOM 0 H ASP A 25 -8.706 -9.009 -1.245 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.947 -8.815 -4.103 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -9.650 -6.970 -1.817 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.758 -6.437 -3.483 1.00 0.35 H new ATOM 356 N VAL A 26 -6.589 -7.300 -2.538 1.00 0.23 N ATOM 357 CA VAL A 26 -5.366 -6.511 -2.669 1.00 0.22 C ATOM 358 C VAL A 26 -4.344 -7.281 -3.505 1.00 0.25 C ATOM 359 O VAL A 26 -3.703 -8.218 -3.018 1.00 0.30 O ATOM 360 CB VAL A 26 -4.760 -6.181 -1.275 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.564 -5.240 -1.388 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.805 -5.580 -0.372 1.00 0.27 C ATOM 0 H VAL A 26 -6.729 -7.702 -1.611 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.616 -5.573 -3.164 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.410 -7.118 -0.842 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.169 -5.033 -0.394 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.790 -5.707 -1.997 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.878 -4.307 -1.855 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.362 -5.356 0.598 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.186 -4.661 -0.818 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.624 -6.287 -0.242 1.00 0.27 H new ATOM 372 N LYS A 27 -4.286 -6.947 -4.771 1.00 0.28 N ATOM 373 CA LYS A 27 -3.371 -7.546 -5.701 1.00 0.35 C ATOM 374 C LYS A 27 -2.821 -6.386 -6.485 1.00 0.37 C ATOM 375 O LYS A 27 -3.517 -5.393 -6.607 1.00 0.72 O ATOM 376 CB LYS A 27 -4.144 -8.437 -6.667 1.00 0.40 C ATOM 377 CG LYS A 27 -3.386 -9.655 -7.169 1.00 0.83 C ATOM 378 CD LYS A 27 -3.203 -10.689 -6.063 1.00 1.13 C ATOM 379 CE LYS A 27 -4.543 -11.275 -5.628 1.00 1.15 C ATOM 380 NZ LYS A 27 -4.397 -12.267 -4.551 1.00 1.58 N ATOM 0 H LYS A 27 -4.887 -6.237 -5.188 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.605 -8.140 -5.202 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -5.056 -8.774 -6.175 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -4.447 -7.838 -7.526 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -3.926 -10.103 -8.003 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -2.411 -9.348 -7.548 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -2.550 -11.488 -6.413 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -2.710 -10.227 -5.208 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -5.196 -10.470 -5.291 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -5.028 -11.742 -6.485 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -5.334 -12.636 -4.290 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -3.795 -13.049 -4.879 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -3.959 -11.817 -3.722 1.00 1.58 H new ATOM 394 N LEU A 28 -1.608 -6.481 -6.981 1.00 0.24 N ATOM 395 CA LEU A 28 -0.985 -5.409 -7.786 1.00 0.22 C ATOM 396 C LEU A 28 -1.942 -4.990 -8.915 1.00 0.23 C ATOM 397 O LEU A 28 -2.732 -5.814 -9.401 1.00 0.31 O ATOM 398 CB LEU A 28 0.324 -5.909 -8.438 1.00 0.27 C ATOM 399 CG LEU A 28 1.397 -6.512 -7.526 1.00 0.43 C ATOM 400 CD1 LEU A 28 2.507 -7.129 -8.360 1.00 1.05 C ATOM 401 CD2 LEU A 28 1.976 -5.463 -6.623 1.00 1.05 C ATOM 0 H LEU A 28 -1.010 -7.297 -6.848 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.772 -4.569 -7.125 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.060 -6.659 -9.184 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.772 -5.071 -8.972 1.00 0.27 H new ATOM 0 HG LEU A 28 0.929 -7.284 -6.916 1.00 0.43 H new ATOM 0 HD11 LEU A 28 3.264 -7.554 -7.701 1.00 1.05 H new ATOM 0 HD12 LEU A 28 2.093 -7.915 -8.992 1.00 1.05 H new ATOM 0 HD13 LEU A 28 2.961 -6.361 -8.986 1.00 1.05 H new ATOM 0 HD21 LEU A 28 2.736 -5.912 -5.984 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.428 -4.674 -7.224 1.00 1.05 H new ATOM 0 HD23 LEU A 28 1.185 -5.039 -6.004 1.00 1.05 H new ATOM 413 N ASP A 29 -1.880 -3.709 -9.295 1.00 0.24 N ATOM 414 CA ASP A 29 -2.724 -3.126 -10.367 1.00 0.31 C ATOM 415 C ASP A 29 -4.148 -2.879 -9.838 1.00 0.28 C ATOM 416 O ASP A 29 -5.112 -2.679 -10.577 1.00 0.38 O ATOM 417 CB ASP A 29 -2.683 -3.995 -11.661 1.00 0.42 C ATOM 418 CG ASP A 29 -3.320 -3.358 -12.871 1.00 0.60 C ATOM 419 OD1 ASP A 29 -2.685 -2.465 -13.495 1.00 0.72 O ATOM 420 OD2 ASP A 29 -4.420 -3.782 -13.278 1.00 0.70 O ATOM 0 H ASP A 29 -1.242 -3.036 -8.870 1.00 0.24 H new ATOM 0 HA ASP A 29 -2.319 -2.157 -10.657 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.644 -4.226 -11.894 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.183 -4.943 -11.461 1.00 0.42 H new ATOM 425 N LYS A 30 -4.249 -2.842 -8.523 1.00 0.19 N ATOM 426 CA LYS A 30 -5.478 -2.513 -7.850 1.00 0.20 C ATOM 427 C LYS A 30 -5.255 -1.300 -7.036 1.00 0.20 C ATOM 428 O LYS A 30 -4.325 -1.237 -6.238 1.00 0.24 O ATOM 429 CB LYS A 30 -5.951 -3.554 -6.880 1.00 0.28 C ATOM 430 CG LYS A 30 -6.467 -4.874 -7.418 1.00 0.36 C ATOM 431 CD LYS A 30 -7.908 -4.784 -7.886 1.00 0.45 C ATOM 432 CE LYS A 30 -8.434 -6.154 -8.301 1.00 0.79 C ATOM 433 NZ LYS A 30 -9.890 -6.143 -8.564 1.00 1.48 N ATOM 0 H LYS A 30 -3.472 -3.042 -7.893 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.222 -2.403 -8.639 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.125 -3.774 -6.203 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.745 -3.109 -6.280 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.838 -5.196 -8.248 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.387 -5.636 -6.643 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.529 -4.379 -7.087 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.979 -4.093 -8.726 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -7.908 -6.486 -9.196 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -8.215 -6.878 -7.516 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -10.200 -7.096 -8.842 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -10.396 -5.852 -7.703 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -10.099 -5.473 -9.332 1.00 1.48 H new ATOM 447 N SER A 31 -6.086 -0.392 -7.219 1.00 0.20 N ATOM 448 CA SER A 31 -6.089 0.846 -6.503 1.00 0.34 C ATOM 449 C SER A 31 -6.898 0.635 -5.232 1.00 0.53 C ATOM 450 O SER A 31 -8.091 0.394 -5.292 1.00 1.25 O ATOM 451 CB SER A 31 -6.756 1.914 -7.358 1.00 0.36 C ATOM 452 OG SER A 31 -6.271 1.874 -8.690 1.00 0.86 O ATOM 0 H SER A 31 -6.839 -0.463 -7.904 1.00 0.20 H new ATOM 0 HA SER A 31 -5.074 1.163 -6.265 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.836 1.765 -7.356 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.569 2.898 -6.928 1.00 0.36 H new ATOM 0 HG SER A 31 -6.701 1.137 -9.173 1.00 0.86 H new ATOM 458 N PHE A 32 -6.242 0.672 -4.120 1.00 0.29 N ATOM 459 CA PHE A 32 -6.836 0.460 -2.804 1.00 0.28 C ATOM 460 C PHE A 32 -8.142 1.256 -2.605 1.00 0.26 C ATOM 461 O PHE A 32 -9.157 0.723 -2.179 1.00 0.40 O ATOM 462 CB PHE A 32 -5.868 0.888 -1.720 1.00 0.40 C ATOM 463 CG PHE A 32 -4.521 0.230 -1.687 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.331 -0.978 -1.029 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.454 0.793 -2.346 1.00 0.35 C ATOM 466 CE1 PHE A 32 -3.100 -1.588 -1.039 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.237 0.183 -2.358 1.00 0.34 C ATOM 468 CZ PHE A 32 -2.037 -0.952 -1.550 1.00 0.36 C ATOM 0 H PHE A 32 -5.240 0.856 -4.081 1.00 0.29 H new ATOM 0 HA PHE A 32 -7.061 -0.605 -2.739 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.714 1.963 -1.814 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.348 0.718 -0.756 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -5.155 -1.440 -0.507 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.583 1.733 -2.862 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -2.989 -2.583 -0.634 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.438 0.564 -2.977 1.00 0.34 H new ATOM 0 HZ PHE A 32 -1.038 -1.306 -1.344 1.00 0.36 H new ATOM 478 N THR A 33 -8.116 2.492 -2.947 1.00 0.28 N ATOM 479 CA THR A 33 -9.245 3.370 -2.698 1.00 0.36 C ATOM 480 C THR A 33 -10.146 3.561 -3.960 1.00 0.45 C ATOM 481 O THR A 33 -10.942 4.496 -4.040 1.00 1.06 O ATOM 482 CB THR A 33 -8.721 4.724 -2.164 1.00 0.61 C ATOM 483 OG1 THR A 33 -9.770 5.592 -1.723 1.00 1.01 O ATOM 484 CG2 THR A 33 -7.911 5.405 -3.227 1.00 0.78 C ATOM 0 H THR A 33 -7.324 2.941 -3.407 1.00 0.28 H new ATOM 0 HA THR A 33 -9.884 2.905 -1.947 1.00 0.36 H new ATOM 0 HB THR A 33 -8.101 4.508 -1.294 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.302 5.139 -1.036 1.00 1.01 H new ATOM 0 HG21 THR A 33 -7.543 6.359 -2.849 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.066 4.773 -3.502 1.00 0.78 H new ATOM 0 HG23 THR A 33 -8.534 5.579 -4.104 1.00 0.78 H new ATOM 492 N ASP A 34 -10.072 2.632 -4.890 1.00 0.32 N ATOM 493 CA ASP A 34 -10.901 2.720 -6.107 1.00 0.34 C ATOM 494 C ASP A 34 -11.286 1.335 -6.564 1.00 0.35 C ATOM 495 O ASP A 34 -12.457 1.000 -6.667 1.00 0.50 O ATOM 496 CB ASP A 34 -10.148 3.450 -7.231 1.00 0.38 C ATOM 497 CG ASP A 34 -10.967 3.595 -8.500 1.00 0.96 C ATOM 498 OD1 ASP A 34 -10.979 2.655 -9.328 1.00 1.74 O ATOM 499 OD2 ASP A 34 -11.633 4.624 -8.676 1.00 1.04 O ATOM 0 H ASP A 34 -9.463 1.815 -4.843 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.801 3.288 -5.871 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.854 4.439 -6.880 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -9.231 2.907 -7.458 1.00 0.38 H new ATOM 504 N ASP A 35 -10.281 0.533 -6.794 1.00 0.30 N ATOM 505 CA ASP A 35 -10.434 -0.847 -7.217 1.00 0.32 C ATOM 506 C ASP A 35 -10.838 -1.701 -6.066 1.00 0.35 C ATOM 507 O ASP A 35 -11.635 -2.625 -6.208 1.00 0.52 O ATOM 508 CB ASP A 35 -9.125 -1.390 -7.786 1.00 0.31 C ATOM 509 CG ASP A 35 -8.820 -0.968 -9.192 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.518 -1.415 -10.119 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.938 -0.128 -9.391 1.00 1.10 O ATOM 0 H ASP A 35 -9.308 0.821 -6.692 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.204 -0.871 -7.988 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.306 -1.070 -7.141 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.154 -2.479 -7.748 1.00 0.31 H new ATOM 516 N LEU A 36 -10.261 -1.420 -4.926 1.00 0.30 N ATOM 517 CA LEU A 36 -10.575 -2.158 -3.743 1.00 0.33 C ATOM 518 C LEU A 36 -11.833 -1.600 -3.088 1.00 0.39 C ATOM 519 O LEU A 36 -12.929 -1.950 -3.514 1.00 0.81 O ATOM 520 CB LEU A 36 -9.385 -2.207 -2.774 1.00 0.33 C ATOM 521 CG LEU A 36 -8.080 -2.734 -3.345 1.00 0.33 C ATOM 522 CD1 LEU A 36 -7.051 -2.906 -2.256 1.00 0.36 C ATOM 523 CD2 LEU A 36 -8.294 -4.019 -4.090 1.00 0.36 C ATOM 0 H LEU A 36 -9.569 -0.681 -4.798 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.781 -3.190 -4.026 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.211 -1.201 -2.393 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.662 -2.827 -1.922 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.703 -1.998 -4.055 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -6.124 -3.284 -2.688 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -6.863 -1.945 -1.778 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.421 -3.614 -1.514 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -7.342 -4.372 -4.487 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.705 -4.768 -3.413 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.990 -3.852 -4.912 1.00 0.36 H new ATOM 535 N ASP A 37 -11.670 -0.669 -2.129 1.00 0.35 N ATOM 536 CA ASP A 37 -12.828 -0.061 -1.377 1.00 0.45 C ATOM 537 C ASP A 37 -12.333 0.748 -0.144 1.00 0.39 C ATOM 538 O ASP A 37 -13.085 1.017 0.786 1.00 0.87 O ATOM 539 CB ASP A 37 -13.815 -1.172 -0.898 1.00 0.79 C ATOM 540 CG ASP A 37 -15.140 -0.645 -0.374 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.816 0.116 -1.092 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.494 -0.928 0.787 1.00 0.99 O ATOM 0 H ASP A 37 -10.759 -0.310 -1.844 1.00 0.35 H new ATOM 0 HA ASP A 37 -13.343 0.614 -2.060 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.010 -1.851 -1.728 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -13.334 -1.756 -0.114 1.00 0.79 H new ATOM 547 N VAL A 38 -11.082 1.171 -0.156 1.00 0.38 N ATOM 548 CA VAL A 38 -10.524 1.861 1.005 1.00 0.37 C ATOM 549 C VAL A 38 -10.995 3.323 1.089 1.00 0.48 C ATOM 550 O VAL A 38 -10.974 4.054 0.103 1.00 0.79 O ATOM 551 CB VAL A 38 -8.973 1.795 1.038 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.423 2.426 2.315 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.508 0.362 0.938 1.00 0.43 C ATOM 0 H VAL A 38 -10.439 1.055 -0.939 1.00 0.38 H new ATOM 0 HA VAL A 38 -10.902 1.331 1.879 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.596 2.358 0.184 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.335 2.366 2.311 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.728 3.471 2.365 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.813 1.892 3.182 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.419 0.330 0.962 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -8.906 -0.209 1.777 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -8.863 -0.071 0.003 1.00 0.43 H new ATOM 563 N ASP A 39 -11.378 3.699 2.297 1.00 0.39 N ATOM 564 CA ASP A 39 -11.909 5.024 2.753 1.00 0.55 C ATOM 565 C ASP A 39 -11.128 6.308 2.298 1.00 0.67 C ATOM 566 O ASP A 39 -11.602 7.426 2.495 1.00 1.53 O ATOM 567 CB ASP A 39 -11.962 4.932 4.278 1.00 0.64 C ATOM 568 CG ASP A 39 -12.176 6.224 5.014 1.00 1.28 C ATOM 569 OD1 ASP A 39 -13.333 6.622 5.223 1.00 1.51 O ATOM 570 OD2 ASP A 39 -11.164 6.827 5.452 1.00 2.00 O ATOM 0 H ASP A 39 -11.331 3.041 3.075 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.877 5.174 2.275 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -12.763 4.245 4.552 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -11.029 4.489 4.627 1.00 0.64 H new ATOM 575 N SER A 40 -9.963 6.139 1.702 1.00 0.45 N ATOM 576 CA SER A 40 -9.117 7.246 1.229 1.00 0.37 C ATOM 577 C SER A 40 -8.384 7.994 2.332 1.00 0.34 C ATOM 578 O SER A 40 -7.164 8.113 2.278 1.00 0.46 O ATOM 579 CB SER A 40 -9.845 8.193 0.316 1.00 0.51 C ATOM 580 OG SER A 40 -9.007 9.307 0.041 1.00 0.78 O ATOM 0 H SER A 40 -9.561 5.218 1.525 1.00 0.45 H new ATOM 0 HA SER A 40 -8.344 6.752 0.641 1.00 0.37 H new ATOM 0 HB2 SER A 40 -10.116 7.688 -0.611 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.773 8.526 0.781 1.00 0.51 H new ATOM 585 N LEU A 41 -9.075 8.502 3.329 1.00 0.32 N ATOM 586 CA LEU A 41 -8.348 9.174 4.393 1.00 0.36 C ATOM 587 C LEU A 41 -7.660 8.136 5.268 1.00 0.33 C ATOM 588 O LEU A 41 -6.593 8.371 5.822 1.00 0.41 O ATOM 589 CB LEU A 41 -9.170 10.201 5.218 1.00 0.51 C ATOM 590 CG LEU A 41 -10.494 9.760 5.840 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.714 10.520 7.130 1.00 1.15 C ATOM 592 CD2 LEU A 41 -11.657 10.063 4.896 1.00 1.18 C ATOM 0 H LEU A 41 -10.090 8.469 3.429 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.599 9.800 3.908 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -8.532 10.562 6.024 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.378 11.053 4.570 1.00 0.51 H new ATOM 0 HG LEU A 41 -10.451 8.687 6.027 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.658 10.210 7.579 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -9.897 10.309 7.820 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.746 11.589 6.921 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.592 9.742 5.356 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.698 11.135 4.701 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -11.512 9.529 3.957 1.00 1.18 H new ATOM 604 N SER A 42 -8.265 6.970 5.333 1.00 0.31 N ATOM 605 CA SER A 42 -7.690 5.819 5.994 1.00 0.33 C ATOM 606 C SER A 42 -6.490 5.257 5.204 1.00 0.27 C ATOM 607 O SER A 42 -5.688 4.511 5.739 1.00 0.26 O ATOM 608 CB SER A 42 -8.759 4.751 6.124 1.00 0.45 C ATOM 609 OG SER A 42 -9.817 5.196 6.954 1.00 0.60 O ATOM 0 H SER A 42 -9.182 6.793 4.923 1.00 0.31 H new ATOM 0 HA SER A 42 -7.329 6.122 6.977 1.00 0.33 H new ATOM 0 HB2 SER A 42 -9.147 4.497 5.138 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.323 3.842 6.539 1.00 0.45 H new ATOM 0 HG SER A 42 -10.181 6.034 6.599 1.00 0.60 H new ATOM 615 N MET A 43 -6.370 5.656 3.941 1.00 0.27 N ATOM 616 CA MET A 43 -5.317 5.186 3.057 1.00 0.31 C ATOM 617 C MET A 43 -3.980 5.561 3.549 1.00 0.25 C ATOM 618 O MET A 43 -3.084 4.752 3.518 1.00 0.28 O ATOM 619 CB MET A 43 -5.490 5.714 1.644 1.00 0.46 C ATOM 620 CG MET A 43 -6.493 4.979 0.802 1.00 0.73 C ATOM 621 SD MET A 43 -5.791 3.612 -0.132 1.00 0.86 S ATOM 622 CE MET A 43 -4.903 2.654 1.102 1.00 0.40 C ATOM 0 H MET A 43 -7.008 6.320 3.502 1.00 0.27 H new ATOM 0 HA MET A 43 -5.398 4.099 3.043 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.785 6.762 1.699 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.524 5.681 1.141 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.285 4.598 1.446 1.00 0.73 H new ATOM 0 HG3 MET A 43 -6.956 5.681 0.109 1.00 0.73 H new ATOM 0 HE1 MET A 43 -4.511 1.746 0.645 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.078 3.246 1.498 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.581 2.388 1.913 1.00 0.40 H new ATOM 632 N VAL A 44 -3.865 6.778 4.041 1.00 0.22 N ATOM 633 CA VAL A 44 -2.598 7.302 4.527 1.00 0.22 C ATOM 634 C VAL A 44 -2.043 6.379 5.642 1.00 0.21 C ATOM 635 O VAL A 44 -0.853 6.034 5.645 1.00 0.26 O ATOM 636 CB VAL A 44 -2.761 8.746 5.054 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.410 9.343 5.421 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.464 9.609 4.017 1.00 0.30 C ATOM 0 H VAL A 44 -4.643 7.433 4.117 1.00 0.22 H new ATOM 0 HA VAL A 44 -1.891 7.327 3.697 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.373 8.717 5.955 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.549 10.359 5.789 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -0.943 8.737 6.197 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.769 9.361 4.540 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.572 10.623 4.401 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.875 9.629 3.100 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.449 9.194 3.806 1.00 0.30 H new ATOM 648 N GLU A 45 -2.941 5.948 6.549 1.00 0.19 N ATOM 649 CA GLU A 45 -2.602 4.989 7.612 1.00 0.18 C ATOM 650 C GLU A 45 -2.039 3.728 7.002 1.00 0.20 C ATOM 651 O GLU A 45 -1.005 3.252 7.404 1.00 0.25 O ATOM 652 CB GLU A 45 -3.840 4.578 8.400 1.00 0.17 C ATOM 653 CG GLU A 45 -4.544 5.677 9.138 1.00 0.29 C ATOM 654 CD GLU A 45 -3.669 6.339 10.169 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.555 5.815 11.291 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.077 7.390 9.878 1.00 0.58 O ATOM 0 H GLU A 45 -3.914 6.254 6.564 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.881 5.477 8.268 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.549 4.118 7.711 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.551 3.812 9.119 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -4.888 6.426 8.424 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.430 5.271 9.626 1.00 0.29 H new ATOM 663 N VAL A 46 -2.732 3.231 5.985 1.00 0.19 N ATOM 664 CA VAL A 46 -2.382 1.992 5.292 1.00 0.22 C ATOM 665 C VAL A 46 -0.984 2.092 4.647 1.00 0.20 C ATOM 666 O VAL A 46 -0.290 1.105 4.484 1.00 0.23 O ATOM 667 CB VAL A 46 -3.439 1.648 4.185 1.00 0.31 C ATOM 668 CG1 VAL A 46 -3.169 0.312 3.530 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.854 1.684 4.729 1.00 0.63 C ATOM 0 H VAL A 46 -3.566 3.683 5.611 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.374 1.197 6.038 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.341 2.421 3.423 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.927 0.119 2.771 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -2.184 0.328 3.063 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.201 -0.475 4.283 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.557 1.440 3.932 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.953 0.956 5.535 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -5.071 2.681 5.112 1.00 0.63 H new ATOM 679 N VAL A 47 -0.567 3.304 4.367 1.00 0.17 N ATOM 680 CA VAL A 47 0.707 3.552 3.697 1.00 0.18 C ATOM 681 C VAL A 47 1.794 3.482 4.721 1.00 0.19 C ATOM 682 O VAL A 47 2.783 2.762 4.566 1.00 0.21 O ATOM 683 CB VAL A 47 0.772 4.959 3.071 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.040 5.108 2.264 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.433 5.258 2.220 1.00 0.54 C ATOM 0 H VAL A 47 -1.092 4.149 4.592 1.00 0.17 H new ATOM 0 HA VAL A 47 0.817 2.808 2.908 1.00 0.18 H new ATOM 0 HB VAL A 47 0.776 5.683 3.886 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.077 6.105 1.826 1.00 0.55 H new ATOM 0 HG12 VAL A 47 2.904 4.965 2.913 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.056 4.362 1.470 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.342 6.260 1.800 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.497 4.530 1.411 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.334 5.201 2.831 1.00 0.54 H new ATOM 695 N VAL A 48 1.613 4.246 5.762 1.00 0.19 N ATOM 696 CA VAL A 48 2.561 4.305 6.829 1.00 0.23 C ATOM 697 C VAL A 48 2.627 2.947 7.540 1.00 0.23 C ATOM 698 O VAL A 48 3.687 2.521 7.978 1.00 0.35 O ATOM 699 CB VAL A 48 2.225 5.462 7.813 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.237 5.547 8.936 1.00 0.42 C ATOM 701 CG2 VAL A 48 2.170 6.787 7.064 1.00 0.33 C ATOM 0 H VAL A 48 0.799 4.846 5.891 1.00 0.19 H new ATOM 0 HA VAL A 48 3.547 4.520 6.418 1.00 0.23 H new ATOM 0 HB VAL A 48 1.250 5.252 8.253 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.971 6.366 9.604 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.241 4.610 9.494 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.228 5.726 8.520 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.934 7.590 7.762 1.00 0.33 H new ATOM 0 HG22 VAL A 48 3.136 6.983 6.599 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.400 6.738 6.294 1.00 0.33 H new ATOM 711 N ALA A 49 1.513 2.217 7.540 1.00 0.18 N ATOM 712 CA ALA A 49 1.476 0.938 8.163 1.00 0.18 C ATOM 713 C ALA A 49 2.182 -0.066 7.283 1.00 0.17 C ATOM 714 O ALA A 49 2.772 -1.035 7.763 1.00 0.21 O ATOM 715 CB ALA A 49 0.057 0.506 8.468 1.00 0.20 C ATOM 0 H ALA A 49 0.635 2.508 7.110 1.00 0.18 H new ATOM 0 HA ALA A 49 1.994 0.998 9.120 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.069 -0.475 8.943 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.407 1.228 9.139 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.514 0.453 7.541 1.00 0.20 H new ATOM 721 N ALA A 50 2.133 0.193 5.981 1.00 0.16 N ATOM 722 CA ALA A 50 2.804 -0.618 5.009 1.00 0.18 C ATOM 723 C ALA A 50 4.302 -0.523 5.226 1.00 0.18 C ATOM 724 O ALA A 50 4.974 -1.534 5.445 1.00 0.21 O ATOM 725 CB ALA A 50 2.412 -0.199 3.577 1.00 0.18 C ATOM 0 H ALA A 50 1.620 0.979 5.582 1.00 0.16 H new ATOM 0 HA ALA A 50 2.498 -1.657 5.132 1.00 0.18 H new ATOM 0 HB1 ALA A 50 2.935 -0.829 2.858 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.336 -0.314 3.446 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.688 0.843 3.414 1.00 0.18 H new ATOM 731 N GLU A 51 4.816 0.682 5.256 1.00 0.18 N ATOM 732 CA GLU A 51 6.236 0.870 5.408 1.00 0.23 C ATOM 733 C GLU A 51 6.780 0.370 6.741 1.00 0.23 C ATOM 734 O GLU A 51 7.869 -0.218 6.785 1.00 0.30 O ATOM 735 CB GLU A 51 6.684 2.277 5.012 1.00 0.29 C ATOM 736 CG GLU A 51 5.979 3.433 5.664 1.00 0.31 C ATOM 737 CD GLU A 51 6.728 4.066 6.818 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.812 3.492 7.914 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.253 5.187 6.629 1.00 0.64 O ATOM 0 H GLU A 51 4.275 1.543 5.178 1.00 0.18 H new ATOM 0 HA GLU A 51 6.714 0.213 4.682 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.749 2.366 5.228 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.569 2.377 3.933 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.790 4.197 4.910 1.00 0.31 H new ATOM 0 HG3 GLU A 51 5.008 3.092 6.023 1.00 0.31 H new ATOM 746 N GLU A 52 5.988 0.510 7.784 1.00 0.22 N ATOM 747 CA GLU A 52 6.332 0.004 9.112 1.00 0.26 C ATOM 748 C GLU A 52 6.432 -1.504 9.118 1.00 0.24 C ATOM 749 O GLU A 52 7.310 -2.083 9.766 1.00 0.35 O ATOM 750 CB GLU A 52 5.280 0.415 10.132 1.00 0.33 C ATOM 751 CG GLU A 52 5.351 1.846 10.552 1.00 0.46 C ATOM 752 CD GLU A 52 4.206 2.256 11.437 1.00 1.20 C ATOM 753 OE1 GLU A 52 3.678 1.413 12.199 1.00 1.50 O ATOM 754 OE2 GLU A 52 3.822 3.443 11.409 1.00 2.07 O ATOM 0 H GLU A 52 5.083 0.978 7.742 1.00 0.22 H new ATOM 0 HA GLU A 52 7.299 0.433 9.375 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.292 0.221 9.715 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.383 -0.215 11.015 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.290 2.018 11.078 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.362 2.479 9.665 1.00 0.46 H new ATOM 761 N ARG A 53 5.570 -2.125 8.365 1.00 0.18 N ATOM 762 CA ARG A 53 5.437 -3.557 8.374 1.00 0.21 C ATOM 763 C ARG A 53 6.423 -4.223 7.431 1.00 0.24 C ATOM 764 O ARG A 53 6.937 -5.300 7.726 1.00 0.37 O ATOM 765 CB ARG A 53 3.996 -3.951 8.007 1.00 0.25 C ATOM 766 CG ARG A 53 3.711 -5.441 8.079 1.00 0.41 C ATOM 767 CD ARG A 53 2.295 -5.770 7.632 1.00 0.49 C ATOM 768 NE ARG A 53 1.250 -5.168 8.486 1.00 1.36 N ATOM 769 CZ ARG A 53 0.150 -5.813 8.917 1.00 1.55 C ATOM 770 NH1 ARG A 53 0.027 -7.126 8.736 1.00 1.19 N ATOM 771 NH2 ARG A 53 -0.808 -5.142 9.547 1.00 2.48 N ATOM 0 H ARG A 53 4.935 -1.651 7.723 1.00 0.18 H new ATOM 0 HA ARG A 53 5.664 -3.907 9.381 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.310 -3.430 8.675 1.00 0.25 H new ATOM 0 HB3 ARG A 53 3.784 -3.602 6.996 1.00 0.25 H new ATOM 0 HG2 ARG A 53 4.423 -5.978 7.452 1.00 0.41 H new ATOM 0 HG3 ARG A 53 3.859 -5.790 9.101 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.157 -5.426 6.607 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.168 -6.852 7.625 1.00 0.49 H new ATOM 0 HE ARG A 53 1.371 -4.195 8.769 1.00 1.36 H new ATOM 0 HH11 ARG A 53 0.768 -7.648 8.269 1.00 1.19 H new ATOM 0 HH12 ARG A 53 -0.809 -7.610 9.065 1.00 1.19 H new ATOM 0 HH21 ARG A 53 -0.710 -4.139 9.704 1.00 2.48 H new ATOM 0 HH22 ARG A 53 -1.642 -5.630 9.874 1.00 2.48 H new ATOM 785 N PHE A 54 6.698 -3.596 6.301 1.00 0.20 N ATOM 786 CA PHE A 54 7.536 -4.258 5.316 1.00 0.26 C ATOM 787 C PHE A 54 8.992 -3.978 5.499 1.00 0.37 C ATOM 788 O PHE A 54 9.772 -4.923 5.469 1.00 0.81 O ATOM 789 CB PHE A 54 7.113 -3.917 3.898 1.00 0.18 C ATOM 790 CG PHE A 54 5.666 -4.099 3.694 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.009 -5.185 4.237 1.00 0.27 C ATOM 792 CD2 PHE A 54 4.949 -3.160 3.018 1.00 0.19 C ATOM 793 CE1 PHE A 54 3.668 -5.317 4.099 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.609 -3.285 2.882 1.00 0.29 C ATOM 795 CZ PHE A 54 2.966 -4.360 3.423 1.00 0.33 C ATOM 0 H PHE A 54 6.368 -2.665 6.047 1.00 0.20 H new ATOM 0 HA PHE A 54 7.389 -5.326 5.480 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.383 -2.884 3.678 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.660 -4.546 3.196 1.00 0.18 H new ATOM 0 HD1 PHE A 54 5.569 -5.935 4.776 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.454 -2.308 2.587 1.00 0.19 H new ATOM 0 HE1 PHE A 54 3.158 -6.171 4.520 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.048 -2.534 2.345 1.00 0.29 H new ATOM 0 HZ PHE A 54 1.895 -4.455 3.316 1.00 0.33 H new ATOM 805 N ASP A 55 9.352 -2.682 5.736 1.00 0.23 N ATOM 806 CA ASP A 55 10.774 -2.234 5.934 1.00 0.30 C ATOM 807 C ASP A 55 10.964 -0.769 5.554 1.00 0.21 C ATOM 808 O ASP A 55 11.728 -0.052 6.181 1.00 0.44 O ATOM 809 CB ASP A 55 11.792 -3.035 5.073 1.00 0.60 C ATOM 810 CG ASP A 55 13.248 -2.674 5.302 1.00 1.22 C ATOM 811 OD1 ASP A 55 13.725 -1.674 4.702 1.00 1.56 O ATOM 812 OD2 ASP A 55 13.910 -3.318 6.126 1.00 1.99 O ATOM 0 H ASP A 55 8.675 -1.921 5.796 1.00 0.23 H new ATOM 0 HA ASP A 55 10.963 -2.401 6.994 1.00 0.30 H new ATOM 0 HB2 ASP A 55 11.660 -4.098 5.276 1.00 0.60 H new ATOM 0 HB3 ASP A 55 11.556 -2.880 4.020 1.00 0.60 H new ATOM 817 N VAL A 56 10.220 -0.328 4.569 1.00 0.17 N ATOM 818 CA VAL A 56 10.490 0.928 3.891 1.00 0.21 C ATOM 819 C VAL A 56 10.041 2.164 4.727 1.00 0.20 C ATOM 820 O VAL A 56 9.630 2.025 5.886 1.00 0.21 O ATOM 821 CB VAL A 56 9.808 0.873 2.469 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.317 0.878 2.556 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.286 1.913 1.502 1.00 0.37 C ATOM 0 H VAL A 56 9.406 -0.828 4.210 1.00 0.17 H new ATOM 0 HA VAL A 56 11.566 1.054 3.770 1.00 0.21 H new ATOM 0 HB VAL A 56 10.131 -0.084 2.059 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.894 0.839 1.552 1.00 0.29 H new ATOM 0 HG12 VAL A 56 7.983 0.010 3.125 1.00 0.29 H new ATOM 0 HG13 VAL A 56 7.985 1.788 3.055 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.761 1.797 0.554 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.087 2.905 1.907 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.358 1.795 1.341 1.00 0.37 H new ATOM 833 N LYS A 57 10.190 3.339 4.168 1.00 0.25 N ATOM 834 CA LYS A 57 9.635 4.542 4.702 1.00 0.25 C ATOM 835 C LYS A 57 9.044 5.291 3.551 1.00 0.22 C ATOM 836 O LYS A 57 9.688 5.421 2.510 1.00 0.28 O ATOM 837 CB LYS A 57 10.676 5.387 5.419 1.00 0.33 C ATOM 838 CG LYS A 57 10.084 6.634 6.075 1.00 0.44 C ATOM 839 CD LYS A 57 10.696 6.899 7.435 1.00 0.89 C ATOM 840 CE LYS A 57 10.373 5.766 8.411 1.00 1.46 C ATOM 841 NZ LYS A 57 8.922 5.628 8.684 1.00 2.12 N ATOM 0 H LYS A 57 10.716 3.481 3.306 1.00 0.25 H new ATOM 0 HA LYS A 57 8.880 4.303 5.451 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.166 4.781 6.181 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.445 5.688 4.707 1.00 0.33 H new ATOM 0 HG2 LYS A 57 10.247 7.497 5.429 1.00 0.44 H new ATOM 0 HG3 LYS A 57 9.006 6.513 6.179 1.00 0.44 H new ATOM 0 HD2 LYS A 57 11.777 7.003 7.338 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.319 7.843 7.830 1.00 0.89 H new ATOM 0 HE2 LYS A 57 10.751 4.827 8.006 1.00 1.46 H new ATOM 0 HE3 LYS A 57 10.898 5.943 9.350 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 8.759 4.794 9.283 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 8.579 6.479 9.174 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 8.409 5.515 7.786 1.00 2.12 H new ATOM 855 N ILE A 58 7.831 5.737 3.704 1.00 0.20 N ATOM 856 CA ILE A 58 7.140 6.385 2.617 1.00 0.19 C ATOM 857 C ILE A 58 6.717 7.800 3.023 1.00 0.21 C ATOM 858 O ILE A 58 5.881 7.967 3.914 1.00 0.25 O ATOM 859 CB ILE A 58 5.885 5.566 2.181 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.271 4.094 1.923 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.279 6.175 0.919 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.112 3.182 1.573 1.00 0.24 C ATOM 0 H ILE A 58 7.296 5.666 4.570 1.00 0.20 H new ATOM 0 HA ILE A 58 7.826 6.442 1.772 1.00 0.19 H new ATOM 0 HB ILE A 58 5.147 5.600 2.983 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.998 4.061 1.112 1.00 0.22 H new ATOM 0 HG13 ILE A 58 6.767 3.703 2.811 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.404 5.598 0.621 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.984 7.205 1.118 1.00 0.20 H new ATOM 0 HG23 ILE A 58 6.016 6.157 0.116 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.482 2.170 1.410 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.392 3.178 2.392 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.627 3.542 0.666 1.00 0.24 H new ATOM 874 N PRO A 59 7.324 8.832 2.420 1.00 0.23 N ATOM 875 CA PRO A 59 6.956 10.236 2.670 1.00 0.28 C ATOM 876 C PRO A 59 5.623 10.558 2.036 1.00 0.24 C ATOM 877 O PRO A 59 5.215 9.876 1.096 1.00 0.21 O ATOM 878 CB PRO A 59 8.023 11.014 1.916 1.00 0.33 C ATOM 879 CG PRO A 59 8.437 10.094 0.833 1.00 0.30 C ATOM 880 CD PRO A 59 8.423 8.729 1.449 1.00 0.25 C ATOM 0 HA PRO A 59 6.888 10.460 3.735 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.629 11.949 1.517 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.861 11.272 2.563 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.753 10.151 -0.014 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.429 10.347 0.459 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.239 7.951 0.708 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.371 8.492 1.932 1.00 0.25 H new ATOM 888 N ASP A 60 4.985 11.625 2.502 1.00 0.30 N ATOM 889 CA ASP A 60 3.688 12.097 1.974 1.00 0.34 C ATOM 890 C ASP A 60 3.700 12.196 0.456 1.00 0.31 C ATOM 891 O ASP A 60 2.771 11.740 -0.217 1.00 0.36 O ATOM 892 CB ASP A 60 3.335 13.467 2.570 1.00 0.51 C ATOM 893 CG ASP A 60 2.174 14.146 1.862 1.00 1.25 C ATOM 894 OD1 ASP A 60 1.004 13.833 2.160 1.00 1.98 O ATOM 895 OD2 ASP A 60 2.420 15.035 1.011 1.00 1.92 O ATOM 0 H ASP A 60 5.347 12.199 3.263 1.00 0.30 H new ATOM 0 HA ASP A 60 2.935 11.364 2.264 1.00 0.34 H new ATOM 0 HB2 ASP A 60 3.088 13.345 3.625 1.00 0.51 H new ATOM 0 HB3 ASP A 60 4.211 14.114 2.521 1.00 0.51 H new ATOM 900 N ASP A 61 4.786 12.731 -0.078 1.00 0.30 N ATOM 901 CA ASP A 61 4.925 12.907 -1.512 1.00 0.37 C ATOM 902 C ASP A 61 4.935 11.579 -2.271 1.00 0.33 C ATOM 903 O ASP A 61 4.384 11.482 -3.368 1.00 0.46 O ATOM 904 CB ASP A 61 6.128 13.779 -1.866 1.00 0.50 C ATOM 905 CG ASP A 61 6.290 13.968 -3.358 1.00 1.16 C ATOM 906 OD1 ASP A 61 5.441 14.618 -3.989 1.00 1.16 O ATOM 907 OD2 ASP A 61 7.268 13.476 -3.924 1.00 2.06 O ATOM 0 H ASP A 61 5.588 13.052 0.465 1.00 0.30 H new ATOM 0 HA ASP A 61 4.034 13.441 -1.844 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.019 14.753 -1.390 1.00 0.50 H new ATOM 0 HB3 ASP A 61 7.033 13.326 -1.460 1.00 0.50 H new ATOM 912 N ASP A 62 5.496 10.551 -1.673 1.00 0.25 N ATOM 913 CA ASP A 62 5.497 9.241 -2.316 1.00 0.25 C ATOM 914 C ASP A 62 4.221 8.482 -2.005 1.00 0.23 C ATOM 915 O ASP A 62 3.773 7.670 -2.800 1.00 0.28 O ATOM 916 CB ASP A 62 6.745 8.400 -2.008 1.00 0.26 C ATOM 917 CG ASP A 62 7.997 8.898 -2.719 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.911 9.323 -3.892 1.00 0.52 O ATOM 919 OD2 ASP A 62 9.100 8.869 -2.116 1.00 0.44 O ATOM 0 H ASP A 62 5.951 10.586 -0.761 1.00 0.25 H new ATOM 0 HA ASP A 62 5.534 9.431 -3.389 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.921 8.403 -0.932 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.558 7.366 -2.297 1.00 0.26 H new ATOM 924 N VAL A 63 3.627 8.772 -0.846 1.00 0.22 N ATOM 925 CA VAL A 63 2.322 8.219 -0.444 1.00 0.26 C ATOM 926 C VAL A 63 1.303 8.551 -1.532 1.00 0.29 C ATOM 927 O VAL A 63 0.683 7.669 -2.115 1.00 0.38 O ATOM 928 CB VAL A 63 1.831 8.863 0.910 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.422 8.440 1.245 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.733 8.494 2.066 1.00 0.27 C ATOM 0 H VAL A 63 4.035 9.399 -0.153 1.00 0.22 H new ATOM 0 HA VAL A 63 2.422 7.142 -0.307 1.00 0.26 H new ATOM 0 HB VAL A 63 1.861 9.942 0.761 1.00 0.27 H new ATOM 0 HG11 VAL A 63 0.117 8.902 2.184 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.252 8.756 0.449 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.382 7.355 1.345 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.361 8.957 2.980 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.745 7.411 2.187 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.744 8.848 1.866 1.00 0.27 H new ATOM 940 N LYS A 64 1.199 9.831 -1.823 1.00 0.27 N ATOM 941 CA LYS A 64 0.239 10.365 -2.797 1.00 0.34 C ATOM 942 C LYS A 64 0.584 9.975 -4.263 1.00 0.32 C ATOM 943 O LYS A 64 -0.137 10.331 -5.211 1.00 0.38 O ATOM 944 CB LYS A 64 0.092 11.890 -2.620 1.00 0.44 C ATOM 945 CG LYS A 64 1.325 12.715 -2.964 1.00 0.83 C ATOM 946 CD LYS A 64 1.149 14.157 -2.517 1.00 0.73 C ATOM 947 CE LYS A 64 2.192 15.092 -3.120 1.00 1.59 C ATOM 948 NZ LYS A 64 2.218 15.027 -4.590 1.00 2.16 N ATOM 0 H LYS A 64 1.781 10.548 -1.390 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.727 9.902 -2.594 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -0.736 12.231 -3.241 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.181 12.093 -1.584 1.00 0.44 H new ATOM 0 HG2 LYS A 64 2.203 12.284 -2.482 1.00 0.83 H new ATOM 0 HG3 LYS A 64 1.503 12.681 -4.039 1.00 0.83 H new ATOM 0 HD2 LYS A 64 0.153 14.501 -2.797 1.00 0.73 H new ATOM 0 HD3 LYS A 64 1.209 14.206 -1.430 1.00 0.73 H new ATOM 0 HE2 LYS A 64 1.983 16.115 -2.808 1.00 1.59 H new ATOM 0 HE3 LYS A 64 3.177 14.834 -2.730 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 2.670 15.884 -4.967 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 2.757 14.190 -4.891 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 1.245 14.961 -4.952 1.00 2.16 H new ATOM 962 N ASN A 65 1.677 9.256 -4.443 1.00 0.26 N ATOM 963 CA ASN A 65 2.141 8.846 -5.757 1.00 0.29 C ATOM 964 C ASN A 65 1.647 7.424 -6.005 1.00 0.28 C ATOM 965 O ASN A 65 1.462 6.990 -7.142 1.00 0.42 O ATOM 966 CB ASN A 65 3.686 8.890 -5.801 1.00 0.36 C ATOM 967 CG ASN A 65 4.302 8.760 -7.201 1.00 0.90 C ATOM 968 OD1 ASN A 65 3.762 8.124 -8.090 1.00 1.59 O ATOM 969 ND2 ASN A 65 5.437 9.368 -7.399 1.00 1.43 N ATOM 0 H ASN A 65 2.272 8.938 -3.678 1.00 0.26 H new ATOM 0 HA ASN A 65 1.757 9.516 -6.526 1.00 0.29 H new ATOM 0 HB2 ASN A 65 4.020 9.829 -5.360 1.00 0.36 H new ATOM 0 HB3 ASN A 65 4.075 8.088 -5.174 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.890 9.317 -8.311 1.00 1.43 H new ATOM 0 HD22 ASN A 65 5.872 9.895 -6.642 1.00 1.43 H new ATOM 976 N LEU A 66 1.379 6.714 -4.935 1.00 0.21 N ATOM 977 CA LEU A 66 0.951 5.372 -5.029 1.00 0.23 C ATOM 978 C LEU A 66 -0.559 5.399 -5.069 1.00 0.25 C ATOM 979 O LEU A 66 -1.191 6.037 -4.230 1.00 0.31 O ATOM 980 CB LEU A 66 1.409 4.584 -3.797 1.00 0.22 C ATOM 981 CG LEU A 66 2.858 4.765 -3.321 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.120 3.915 -2.078 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.850 4.446 -4.425 1.00 0.23 C ATOM 0 H LEU A 66 1.457 7.067 -3.981 1.00 0.21 H new ATOM 0 HA LEU A 66 1.369 4.895 -5.916 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.751 4.847 -2.969 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.255 3.525 -4.002 1.00 0.22 H new ATOM 0 HG LEU A 66 2.999 5.813 -3.056 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.151 4.054 -1.753 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.443 4.220 -1.280 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.953 2.864 -2.314 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.865 4.585 -4.053 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.719 3.412 -4.745 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.679 5.112 -5.271 1.00 0.23 H new ATOM 995 N LYS A 67 -1.124 4.804 -6.066 1.00 0.28 N ATOM 996 CA LYS A 67 -2.577 4.719 -6.142 1.00 0.34 C ATOM 997 C LYS A 67 -2.978 3.265 -5.993 1.00 0.30 C ATOM 998 O LYS A 67 -3.988 2.925 -5.355 1.00 0.38 O ATOM 999 CB LYS A 67 -3.148 5.242 -7.485 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.616 6.582 -7.991 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.344 6.400 -8.810 1.00 1.26 C ATOM 1002 CE LYS A 67 -0.851 7.713 -9.382 1.00 1.83 C ATOM 1003 NZ LYS A 67 0.281 7.518 -10.311 1.00 2.55 N ATOM 0 H LYS A 67 -0.624 4.368 -6.841 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.981 5.345 -5.347 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -2.955 4.490 -8.250 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -4.230 5.324 -7.384 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -3.376 7.071 -8.600 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -2.415 7.239 -7.145 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -0.567 5.962 -8.183 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -1.532 5.697 -9.622 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -1.668 8.211 -9.904 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -0.544 8.371 -8.569 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 0.589 8.440 -10.681 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 1.070 7.066 -9.807 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -0.018 6.911 -11.101 1.00 2.55 H new ATOM 1017 N THR A 68 -2.203 2.399 -6.608 1.00 0.23 N ATOM 1018 CA THR A 68 -2.451 1.022 -6.547 1.00 0.19 C ATOM 1019 C THR A 68 -1.470 0.365 -5.608 1.00 0.18 C ATOM 1020 O THR A 68 -0.561 1.008 -5.069 1.00 0.20 O ATOM 1021 CB THR A 68 -2.320 0.355 -7.944 1.00 0.18 C ATOM 1022 OG1 THR A 68 -0.983 0.475 -8.403 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.237 0.998 -8.961 1.00 0.22 C ATOM 0 H THR A 68 -1.385 2.657 -7.161 1.00 0.23 H new ATOM 0 HA THR A 68 -3.472 0.889 -6.188 1.00 0.19 H new ATOM 0 HB THR A 68 -2.601 -0.693 -7.836 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.869 1.336 -8.858 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.115 0.503 -9.925 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.271 0.901 -8.631 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.986 2.054 -9.061 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.608 -0.917 -5.463 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.690 -1.695 -4.710 1.00 0.18 C ATOM 1033 C VAL A 69 0.425 -2.107 -5.614 1.00 0.15 C ATOM 1034 O VAL A 69 1.506 -2.469 -5.174 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.389 -2.874 -3.957 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.499 -3.405 -4.772 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.441 -4.003 -3.580 1.00 1.21 C ATOM 0 H VAL A 69 -2.373 -1.454 -5.872 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.262 -1.101 -3.903 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.767 -2.460 -3.022 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -2.980 -4.226 -4.240 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.227 -2.614 -4.955 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.111 -3.768 -5.724 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -0.995 -4.785 -3.061 1.00 1.21 H new ATOM 0 HG22 VAL A 69 0.011 -4.416 -4.482 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.342 -3.618 -2.926 1.00 1.21 H new ATOM 1047 N GLY A 70 0.186 -1.933 -6.906 1.00 0.14 N ATOM 1048 CA GLY A 70 1.245 -2.145 -7.856 1.00 0.16 C ATOM 1049 C GLY A 70 2.243 -1.053 -7.664 1.00 0.19 C ATOM 1050 O GLY A 70 3.430 -1.302 -7.482 1.00 0.33 O ATOM 0 H GLY A 70 -0.710 -1.653 -7.304 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.708 -3.120 -7.703 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.855 -2.134 -8.874 1.00 0.16 H new ATOM 1054 N ASP A 71 1.705 0.150 -7.595 1.00 0.17 N ATOM 1055 CA ASP A 71 2.418 1.360 -7.314 1.00 0.20 C ATOM 1056 C ASP A 71 3.151 1.260 -6.003 1.00 0.17 C ATOM 1057 O ASP A 71 4.369 1.456 -5.944 1.00 0.20 O ATOM 1058 CB ASP A 71 1.421 2.494 -7.184 1.00 0.32 C ATOM 1059 CG ASP A 71 0.880 3.037 -8.462 1.00 0.87 C ATOM 1060 OD1 ASP A 71 1.690 3.460 -9.300 1.00 1.28 O ATOM 1061 OD2 ASP A 71 -0.334 2.998 -8.676 1.00 1.39 O ATOM 0 H ASP A 71 0.708 0.306 -7.742 1.00 0.17 H new ATOM 0 HA ASP A 71 3.129 1.533 -8.122 1.00 0.20 H new ATOM 0 HB2 ASP A 71 0.585 2.149 -6.576 1.00 0.32 H new ATOM 0 HB3 ASP A 71 1.897 3.309 -6.638 1.00 0.32 H new ATOM 1066 N ALA A 72 2.385 0.955 -4.957 1.00 0.15 N ATOM 1067 CA ALA A 72 2.881 0.885 -3.588 1.00 0.13 C ATOM 1068 C ALA A 72 4.036 -0.030 -3.459 1.00 0.12 C ATOM 1069 O ALA A 72 5.120 0.384 -3.101 1.00 0.14 O ATOM 1070 CB ALA A 72 1.781 0.392 -2.666 1.00 0.13 C ATOM 0 H ALA A 72 1.390 0.747 -5.040 1.00 0.15 H new ATOM 0 HA ALA A 72 3.200 1.890 -3.314 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.158 0.342 -1.644 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.936 1.079 -2.708 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.458 -0.600 -2.983 1.00 0.13 H new ATOM 1076 N THR A 73 3.802 -1.245 -3.782 1.00 0.11 N ATOM 1077 CA THR A 73 4.775 -2.284 -3.649 1.00 0.13 C ATOM 1078 C THR A 73 6.099 -1.963 -4.369 1.00 0.16 C ATOM 1079 O THR A 73 7.157 -2.040 -3.759 1.00 0.24 O ATOM 1080 CB THR A 73 4.187 -3.585 -4.134 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.959 -3.808 -3.445 1.00 0.15 O ATOM 1082 CG2 THR A 73 5.113 -4.697 -3.827 1.00 0.17 C ATOM 0 H THR A 73 2.908 -1.563 -4.157 1.00 0.11 H new ATOM 0 HA THR A 73 5.028 -2.371 -2.592 1.00 0.13 H new ATOM 0 HB THR A 73 4.023 -3.537 -5.210 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.208 -3.590 -4.036 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.684 -5.635 -4.179 1.00 0.17 H new ATOM 0 HG22 THR A 73 6.067 -4.524 -4.325 1.00 0.17 H new ATOM 0 HG23 THR A 73 5.271 -4.752 -2.750 1.00 0.17 H new ATOM 1090 N LYS A 74 6.001 -1.595 -5.632 1.00 0.17 N ATOM 1091 CA LYS A 74 7.093 -1.183 -6.509 1.00 0.20 C ATOM 1092 C LYS A 74 7.936 -0.117 -5.872 1.00 0.23 C ATOM 1093 O LYS A 74 9.097 -0.008 -6.143 1.00 0.45 O ATOM 1094 CB LYS A 74 6.481 -0.595 -7.767 1.00 0.25 C ATOM 1095 CG LYS A 74 6.552 -1.457 -9.016 1.00 0.98 C ATOM 1096 CD LYS A 74 5.930 -2.824 -8.842 1.00 2.21 C ATOM 1097 CE LYS A 74 6.038 -3.631 -10.129 1.00 2.92 C ATOM 1098 NZ LYS A 74 7.439 -3.732 -10.594 1.00 3.63 N ATOM 0 H LYS A 74 5.100 -1.573 -6.109 1.00 0.17 H new ATOM 0 HA LYS A 74 7.720 -2.050 -6.718 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.434 -0.370 -7.565 1.00 0.25 H new ATOM 0 HB3 LYS A 74 6.976 0.353 -7.977 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.050 -0.940 -9.834 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.596 -1.576 -9.307 1.00 0.98 H new ATOM 0 HD2 LYS A 74 6.428 -3.355 -8.031 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.883 -2.719 -8.559 1.00 2.21 H new ATOM 0 HE2 LYS A 74 5.635 -4.631 -9.967 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.430 -3.164 -10.904 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 7.520 -4.505 -11.285 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 7.722 -2.836 -11.041 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 8.061 -3.926 -9.783 1.00 3.63 H new ATOM 1112 N TYR A 75 7.324 0.654 -5.039 1.00 0.16 N ATOM 1113 CA TYR A 75 7.974 1.712 -4.352 1.00 0.16 C ATOM 1114 C TYR A 75 8.622 1.176 -3.119 1.00 0.16 C ATOM 1115 O TYR A 75 9.787 1.416 -2.868 1.00 0.19 O ATOM 1116 CB TYR A 75 6.972 2.771 -3.964 1.00 0.16 C ATOM 1117 CG TYR A 75 7.613 3.845 -3.148 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.513 4.710 -3.724 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.252 4.049 -1.830 1.00 0.21 C ATOM 1120 CE1 TYR A 75 9.037 5.749 -3.022 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.785 5.084 -1.112 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.909 5.700 -1.582 1.00 0.28 C ATOM 1123 OH TYR A 75 9.193 6.990 -1.000 1.00 0.40 O ATOM 0 H TYR A 75 6.334 0.562 -4.813 1.00 0.16 H new ATOM 0 HA TYR A 75 8.726 2.152 -5.007 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.532 3.206 -4.861 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.159 2.317 -3.398 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.809 4.561 -4.752 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.541 3.384 -1.362 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.527 6.574 -3.517 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.325 5.408 -0.190 1.00 0.26 H new ATOM 0 HH TYR A 75 9.611 7.567 -1.672 1.00 0.40 H new ATOM 1133 N ILE A 76 7.850 0.424 -2.379 1.00 0.14 N ATOM 1134 CA ILE A 76 8.246 -0.136 -1.128 1.00 0.16 C ATOM 1135 C ILE A 76 9.490 -0.958 -1.321 1.00 0.17 C ATOM 1136 O ILE A 76 10.534 -0.582 -0.846 1.00 0.21 O ATOM 1137 CB ILE A 76 7.097 -0.999 -0.560 1.00 0.15 C ATOM 1138 CG1 ILE A 76 5.935 -0.105 -0.195 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.541 -1.780 0.667 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.648 -0.848 -0.032 1.00 0.13 C ATOM 0 H ILE A 76 6.896 0.180 -2.646 1.00 0.14 H new ATOM 0 HA ILE A 76 8.462 0.660 -0.416 1.00 0.16 H new ATOM 0 HB ILE A 76 6.797 -1.715 -1.325 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.165 0.418 0.733 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.813 0.655 -0.967 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.708 -2.376 1.040 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.367 -2.439 0.400 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.866 -1.086 1.442 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.854 -0.148 0.230 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.396 -1.349 -0.967 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.754 -1.589 0.760 1.00 0.13 H new ATOM 1152 N LEU A 77 9.379 -2.021 -2.097 1.00 0.17 N ATOM 1153 CA LEU A 77 10.453 -2.958 -2.314 1.00 0.20 C ATOM 1154 C LEU A 77 11.707 -2.294 -2.861 1.00 0.22 C ATOM 1155 O LEU A 77 12.831 -2.622 -2.482 1.00 0.29 O ATOM 1156 CB LEU A 77 9.972 -4.087 -3.221 1.00 0.23 C ATOM 1157 CG LEU A 77 9.498 -3.737 -4.595 1.00 0.78 C ATOM 1158 CD1 LEU A 77 10.642 -3.662 -5.613 1.00 1.08 C ATOM 1159 CD2 LEU A 77 8.442 -4.686 -5.033 1.00 1.44 C ATOM 0 H LEU A 77 8.523 -2.256 -2.600 1.00 0.17 H new ATOM 0 HA LEU A 77 10.736 -3.375 -1.348 1.00 0.20 H new ATOM 0 HB2 LEU A 77 10.788 -4.803 -3.323 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.159 -4.601 -2.709 1.00 0.23 H new ATOM 0 HG LEU A 77 9.070 -2.736 -4.547 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.241 -3.405 -6.593 1.00 1.08 H new ATOM 0 HD12 LEU A 77 11.356 -2.900 -5.302 1.00 1.08 H new ATOM 0 HD13 LEU A 77 11.143 -4.628 -5.669 1.00 1.08 H new ATOM 0 HD21 LEU A 77 8.106 -4.419 -6.035 1.00 1.44 H new ATOM 0 HD22 LEU A 77 8.844 -5.699 -5.043 1.00 1.44 H new ATOM 0 HD23 LEU A 77 7.600 -4.637 -4.343 1.00 1.44 H new ATOM 1171 N ASP A 78 11.482 -1.327 -3.700 1.00 0.22 N ATOM 1172 CA ASP A 78 12.530 -0.610 -4.399 1.00 0.29 C ATOM 1173 C ASP A 78 13.216 0.378 -3.491 1.00 0.30 C ATOM 1174 O ASP A 78 14.395 0.695 -3.662 1.00 0.36 O ATOM 1175 CB ASP A 78 11.922 0.077 -5.629 1.00 0.45 C ATOM 1176 CG ASP A 78 12.821 1.085 -6.322 1.00 0.49 C ATOM 1177 OD1 ASP A 78 12.797 2.268 -5.963 1.00 0.59 O ATOM 1178 OD2 ASP A 78 13.520 0.710 -7.292 1.00 0.63 O ATOM 0 H ASP A 78 10.544 -1.000 -3.929 1.00 0.22 H new ATOM 0 HA ASP A 78 13.297 -1.313 -4.726 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.641 -0.690 -6.351 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.005 0.582 -5.326 1.00 0.45 H new ATOM 1183 N HIS A 79 12.507 0.832 -2.507 1.00 0.29 N ATOM 1184 CA HIS A 79 13.050 1.788 -1.596 1.00 0.36 C ATOM 1185 C HIS A 79 13.615 1.077 -0.369 1.00 0.42 C ATOM 1186 O HIS A 79 14.369 1.675 0.390 1.00 0.58 O ATOM 1187 CB HIS A 79 11.983 2.803 -1.197 1.00 0.38 C ATOM 1188 CG HIS A 79 12.508 4.130 -0.745 1.00 0.61 C ATOM 1189 ND1 HIS A 79 12.892 4.424 0.545 1.00 0.99 N ATOM 1190 CD2 HIS A 79 12.689 5.251 -1.448 1.00 0.87 C ATOM 1191 CE1 HIS A 79 13.287 5.674 0.604 1.00 1.25 C ATOM 1192 NE2 HIS A 79 13.178 6.199 -0.593 1.00 1.18 N ATOM 0 H HIS A 79 11.545 0.554 -2.313 1.00 0.29 H new ATOM 0 HA HIS A 79 13.862 2.326 -2.085 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.319 2.962 -2.047 1.00 0.38 H new ATOM 0 HB3 HIS A 79 11.379 2.376 -0.396 1.00 0.38 H new ATOM 0 HD2 HIS A 79 12.486 5.384 -2.500 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.641 6.184 1.488 1.00 1.25 H new ATOM 0 HE2 HIS A 79 13.419 7.158 -0.845 1.00 1.18 H new ATOM 1201 N GLN A 80 13.236 -0.207 -0.155 1.00 0.39 N ATOM 1202 CA GLN A 80 13.811 -0.953 0.962 1.00 0.49 C ATOM 1203 C GLN A 80 15.186 -1.351 0.592 1.00 0.58 C ATOM 1204 O GLN A 80 16.170 -1.037 1.257 1.00 0.83 O ATOM 1205 CB GLN A 80 13.098 -2.252 1.277 1.00 0.67 C ATOM 1206 CG GLN A 80 11.606 -2.272 1.221 1.00 0.52 C ATOM 1207 CD GLN A 80 11.065 -3.653 1.529 1.00 0.57 C ATOM 1208 OE1 GLN A 80 11.741 -4.643 1.344 1.00 0.87 O ATOM 1209 NE2 GLN A 80 9.825 -3.738 1.874 1.00 0.56 N ATOM 0 H GLN A 80 12.561 -0.720 -0.722 1.00 0.39 H new ATOM 0 HA GLN A 80 13.740 -0.293 1.826 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.467 -3.010 0.586 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.397 -2.561 2.278 1.00 0.67 H new ATOM 0 HG2 GLN A 80 11.203 -1.553 1.934 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.272 -1.960 0.231 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.278 -2.890 2.024 1.00 0.56 H new ATOM 0 HE22 GLN A 80 9.392 -4.653 1.997 1.00 0.56 H new ATOM 1218 N ALA A 81 15.220 -2.029 -0.485 1.00 0.71 N ATOM 1219 CA ALA A 81 16.405 -2.632 -0.983 1.00 1.01 C ATOM 1220 C ALA A 81 16.903 -1.904 -2.215 1.00 1.44 C ATOM 1221 O ALA A 81 17.760 -1.021 -2.080 1.00 1.97 O ATOM 1222 CB ALA A 81 16.161 -4.104 -1.280 1.00 1.30 C ATOM 1223 OXT ALA A 81 16.460 -2.226 -3.337 1.00 1.97 O ATOM 0 H ALA A 81 14.400 -2.190 -1.070 1.00 0.71 H new ATOM 0 HA ALA A 81 17.179 -2.560 -0.219 1.00 1.01 H new ATOM 0 HB1 ALA A 81 17.077 -4.555 -1.661 1.00 1.30 H new ATOM 0 HB2 ALA A 81 15.859 -4.614 -0.366 1.00 1.30 H new ATOM 0 HB3 ALA A 81 15.372 -4.199 -2.026 1.00 1.30 H new TER 1229 ALA A 81 HETATM 1230 C1 SYO A 101 -2.588 6.968 -0.932 1.00 0.56 C HETATM 1231 S1 SYO A 101 -3.510 8.103 0.165 1.00 0.76 S HETATM 1232 C2 SYO A 101 -3.048 5.536 -0.810 1.00 0.69 C HETATM 1233 C3 SYO A 101 -2.250 4.579 -1.647 1.00 0.54 C HETATM 1234 O3 SYO A 101 -2.781 3.907 -2.539 1.00 0.86 O HETATM 1235 C4 SYO A 101 -0.787 4.473 -1.355 1.00 0.47 C HETATM 1236 C5 SYO A 101 -0.311 3.063 -1.144 1.00 0.58 C HETATM 1237 C6 SYO A 101 -0.600 2.613 0.253 1.00 0.57 C HETATM 1238 C7 SYO A 101 0.153 1.355 0.612 1.00 0.49 C HETATM 1239 C8 SYO A 101 1.641 1.639 0.650 1.00 0.47 C HETATM 1240 O23 SYO A 101 -11.114 10.602 0.398 1.00 1.37 O HETATM 1241 P24 SYO A 101 -9.680 10.684 -0.055 1.00 0.96 P HETATM 1242 O26 SYO A 101 -8.784 11.673 0.585 1.00 1.27 O HETATM 1243 O27 SYO A 101 -9.671 10.927 -1.569 1.00 1.04 O HETATM 1244 C28 SYO A 101 -8.370 10.975 -2.242 1.00 0.84 C HETATM 1245 C29 SYO A 101 -8.546 11.112 -3.768 1.00 0.82 C HETATM 1246 C30 SYO A 101 -9.679 12.082 -4.002 1.00 1.03 C HETATM 1247 C31 SYO A 101 -7.263 11.666 -4.404 1.00 0.73 C HETATM 1248 C32 SYO A 101 -8.922 9.702 -4.418 1.00 0.93 C HETATM 1249 O33 SYO A 101 -9.549 9.850 -5.683 1.00 1.10 O HETATM 1250 C34 SYO A 101 -7.731 8.777 -4.604 1.00 0.83 C HETATM 1251 O35 SYO A 101 -7.578 8.209 -5.683 1.00 0.96 O HETATM 1252 N36 SYO A 101 -6.926 8.630 -3.603 1.00 0.71 N HETATM 1253 C37 SYO A 101 -5.717 7.772 -3.598 1.00 0.70 C HETATM 1254 C38 SYO A 101 -4.518 8.394 -4.334 1.00 0.66 C HETATM 1255 C39 SYO A 101 -3.905 9.570 -3.630 1.00 0.47 C HETATM 1256 O40 SYO A 101 -3.600 10.610 -4.228 1.00 0.53 O HETATM 1257 N41 SYO A 101 -3.748 9.396 -2.356 1.00 0.38 N HETATM 1258 C42 SYO A 101 -3.208 10.350 -1.463 1.00 0.43 C HETATM 1259 C43 SYO A 101 -2.726 9.698 -0.190 1.00 0.71 C HETATM 0 HO33 SYO A 101 -9.229 9.150 -6.290 1.00 1.10 H new HETATM 0 HN41 SYO A 101 -4.037 8.499 -1.966 1.00 0.38 H new HETATM 0 HN36 SYO A 101 -7.140 9.145 -2.749 1.00 0.71 H new HETATM 0 H43A SYO A 101 -2.909 10.375 0.645 1.00 0.71 H new HETATM 0 H42A SYO A 101 -2.380 10.873 -1.943 1.00 0.43 H new HETATM 0 H38A SYO A 101 -3.754 7.629 -4.472 1.00 0.66 H new HETATM 0 H37A SYO A 101 -5.432 7.566 -2.566 1.00 0.70 H new HETATM 0 H31B SYO A 101 -7.042 12.646 -3.982 1.00 0.73 H new HETATM 0 H31A SYO A 101 -6.434 10.988 -4.201 1.00 0.73 H new HETATM 0 H30B SYO A 101 -10.590 11.695 -3.545 1.00 1.03 H new HETATM 0 H30A SYO A 101 -9.431 13.046 -3.557 1.00 1.03 H new HETATM 0 H28A SYO A 101 -7.790 11.816 -1.862 1.00 0.84 H new HETATM 0 H8B SYO A 101 1.970 1.988 -0.329 1.00 0.47 H new HETATM 0 H8A SYO A 101 1.846 2.406 1.397 1.00 0.47 H new HETATM 0 H8 SYO A 101 2.179 0.727 0.910 1.00 0.47 H new HETATM 0 H7A SYO A 101 -0.181 0.985 1.582 1.00 0.49 H new HETATM 0 H7 SYO A 101 -0.059 0.573 -0.117 1.00 0.49 H new HETATM 0 H6A SYO A 101 -0.333 3.406 0.951 1.00 0.57 H new HETATM 0 H6 SYO A 101 -1.670 2.438 0.363 1.00 0.57 H new HETATM 0 H5A SYO A 101 -0.801 2.398 -1.855 1.00 0.58 H new HETATM 0 H5 SYO A 101 0.760 3.002 -1.337 1.00 0.58 H new HETATM 0 H4A SYO A 101 -0.228 4.916 -2.180 1.00 0.47 H new HETATM 0 H43 SYO A 101 -1.647 9.555 -0.253 1.00 0.71 H new HETATM 0 H42 SYO A 101 -3.964 11.099 -1.227 1.00 0.43 H new HETATM 0 H4 SYO A 101 -0.560 5.060 -0.465 1.00 0.47 H new HETATM 0 H38 SYO A 101 -4.839 8.707 -5.328 1.00 0.66 H new HETATM 0 H37 SYO A 101 -5.959 6.815 -4.059 1.00 0.70 H new HETATM 0 H32 SYO A 101 -9.607 9.254 -3.698 1.00 0.93 H new HETATM 0 H31 SYO A 101 -7.401 11.758 -5.481 1.00 0.73 H new HETATM 0 H30 SYO A 101 -9.836 12.207 -5.073 1.00 1.03 H new HETATM 0 H2A SYO A 101 -2.988 5.231 0.235 1.00 0.69 H new HETATM 0 H28 SYO A 101 -7.806 10.070 -2.017 1.00 0.84 H new HETATM 0 H2 SYO A 101 -4.097 5.473 -1.100 1.00 0.69 H new HETATM 0 H1A SYO A 101 -2.703 7.295 -1.965 1.00 0.56 H new HETATM 0 H1 SYO A 101 -1.525 7.025 -0.696 1.00 0.56 H new