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= 1.35 (180deg=0.662) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.277 USER MOD Single : A 4 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.9!) USER MOD Single : A 16 ASN : amide:sc= -10.8! C(o=-11!,f=-9.5!) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0.778 (180deg=0.745) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -51:sc= 0.207 USER MOD Single : A 33 THR OG1 : rot 55:sc= 1.25 USER MOD Single : A 42 SER OG : rot 180:sc= -0.547 USER MOD Single : A 43 MET CE :methyl -175:sc= -5.74! (180deg=-5.81!) USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= 1.1 (180deg=0.988) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.61) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= -0.051 (180deg=-0.382) USER MOD Single : A 68 THR OG1 : rot -65:sc= 1.75 USER MOD Single : A 73 THR OG1 : rot 78:sc= 0.496 USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= -0.0209 (180deg=-0.244) USER MOD Single : A 75 TYR OH : rot 18:sc= 0.189 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 80 GLN : amide:sc= -5.66! C(o=-5.7!,f=-5.3!) USER MOD Single : A 101 SYO O33 : rot 128:sc= 0.151 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.826 -6.215 4.551 1.00 1.42 N ATOM 2 CA ALA A 1 12.677 -5.672 3.502 1.00 0.94 C ATOM 3 C ALA A 1 13.051 -6.787 2.550 1.00 0.83 C ATOM 4 O ALA A 1 14.148 -6.801 1.987 1.00 1.23 O ATOM 5 CB ALA A 1 13.923 -5.055 4.118 1.00 1.13 C ATOM 0 H1 ALA A 1 11.729 -5.517 5.315 1.00 1.42 H new ATOM 0 H2 ALA A 1 10.887 -6.432 4.159 1.00 1.42 H new ATOM 0 H3 ALA A 1 12.253 -7.085 4.929 1.00 1.42 H new ATOM 0 HA ALA A 1 12.145 -4.895 2.954 1.00 0.94 H new ATOM 0 HB1 ALA A 1 14.557 -4.650 3.329 1.00 1.13 H new ATOM 0 HB2 ALA A 1 13.634 -4.254 4.798 1.00 1.13 H new ATOM 0 HB3 ALA A 1 14.473 -5.818 4.669 1.00 1.13 H new ATOM 13 N ALA A 2 12.129 -7.696 2.333 1.00 0.85 N ATOM 14 CA ALA A 2 12.399 -8.848 1.517 1.00 1.24 C ATOM 15 C ALA A 2 12.034 -8.590 0.066 1.00 1.16 C ATOM 16 O ALA A 2 12.918 -8.355 -0.773 1.00 1.77 O ATOM 17 CB ALA A 2 11.667 -10.072 2.059 1.00 1.85 C ATOM 0 H ALA A 2 11.183 -7.656 2.713 1.00 0.85 H new ATOM 0 HA ALA A 2 13.470 -9.048 1.556 1.00 1.24 H new ATOM 0 HB1 ALA A 2 11.883 -10.934 1.428 1.00 1.85 H new ATOM 0 HB2 ALA A 2 12.000 -10.274 3.077 1.00 1.85 H new ATOM 0 HB3 ALA A 2 10.593 -9.883 2.060 1.00 1.85 H new ATOM 23 N THR A 3 10.741 -8.576 -0.220 1.00 0.54 N ATOM 24 CA THR A 3 10.263 -8.430 -1.565 1.00 0.48 C ATOM 25 C THR A 3 8.735 -8.326 -1.567 1.00 0.35 C ATOM 26 O THR A 3 8.118 -8.236 -0.496 1.00 0.35 O ATOM 27 CB THR A 3 10.759 -9.616 -2.461 1.00 0.59 C ATOM 28 OG1 THR A 3 10.432 -9.393 -3.840 1.00 0.66 O ATOM 29 CG2 THR A 3 10.177 -10.959 -1.994 1.00 0.66 C ATOM 0 H THR A 3 10.004 -8.666 0.479 1.00 0.54 H new ATOM 0 HA THR A 3 10.668 -7.511 -1.988 1.00 0.48 H new ATOM 0 HB THR A 3 11.843 -9.661 -2.361 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.754 -10.146 -4.378 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.543 -11.758 -2.639 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.486 -11.152 -0.967 1.00 0.66 H new ATOM 0 HG23 THR A 3 9.089 -10.921 -2.045 1.00 0.66 H new ATOM 37 N GLN A 4 8.148 -8.371 -2.750 1.00 0.32 N ATOM 38 CA GLN A 4 6.699 -8.268 -2.973 1.00 0.28 C ATOM 39 C GLN A 4 5.894 -9.260 -2.141 1.00 0.27 C ATOM 40 O GLN A 4 4.844 -8.889 -1.602 1.00 0.26 O ATOM 41 CB GLN A 4 6.353 -8.341 -4.488 1.00 0.33 C ATOM 42 CG GLN A 4 4.853 -8.468 -4.816 1.00 0.37 C ATOM 43 CD GLN A 4 4.341 -9.906 -4.763 1.00 0.39 C ATOM 44 OE1 GLN A 4 5.074 -10.835 -5.066 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.120 -10.096 -4.341 1.00 0.48 N ATOM 0 H GLN A 4 8.675 -8.484 -3.616 1.00 0.32 H new ATOM 0 HA GLN A 4 6.397 -7.283 -2.618 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.740 -7.446 -4.976 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.876 -9.193 -4.923 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.282 -7.861 -4.114 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.670 -8.061 -5.811 1.00 0.37 H new ATOM 0 HE21 GLN A 4 2.535 -9.297 -4.096 1.00 0.48 H new ATOM 0 HE22 GLN A 4 2.751 -11.043 -4.256 1.00 0.48 H new ATOM 54 N GLU A 5 6.373 -10.497 -2.043 1.00 0.33 N ATOM 55 CA GLU A 5 5.736 -11.542 -1.221 1.00 0.40 C ATOM 56 C GLU A 5 5.486 -11.080 0.210 1.00 0.39 C ATOM 57 O GLU A 5 4.507 -11.467 0.829 1.00 0.55 O ATOM 58 CB GLU A 5 6.572 -12.820 -1.215 1.00 0.57 C ATOM 59 CG GLU A 5 6.461 -13.641 -2.484 1.00 0.85 C ATOM 60 CD GLU A 5 5.052 -14.141 -2.700 1.00 1.88 C ATOM 61 OE1 GLU A 5 4.499 -14.792 -1.780 1.00 2.37 O ATOM 62 OE2 GLU A 5 4.463 -13.876 -3.760 1.00 2.66 O ATOM 0 H GLU A 5 7.213 -10.811 -2.528 1.00 0.33 H new ATOM 0 HA GLU A 5 4.768 -11.750 -1.678 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.618 -12.556 -1.057 1.00 0.57 H new ATOM 0 HB3 GLU A 5 6.267 -13.436 -0.369 1.00 0.57 H new ATOM 0 HG2 GLU A 5 6.768 -13.037 -3.337 1.00 0.85 H new ATOM 0 HG3 GLU A 5 7.145 -14.488 -2.431 1.00 0.85 H new ATOM 69 N GLU A 6 6.359 -10.237 0.701 1.00 0.36 N ATOM 70 CA GLU A 6 6.249 -9.683 2.029 1.00 0.42 C ATOM 71 C GLU A 6 5.288 -8.496 2.031 1.00 0.32 C ATOM 72 O GLU A 6 4.501 -8.316 2.971 1.00 0.37 O ATOM 73 CB GLU A 6 7.642 -9.221 2.500 1.00 0.55 C ATOM 74 CG GLU A 6 7.647 -8.485 3.832 1.00 0.82 C ATOM 75 CD GLU A 6 9.020 -8.051 4.260 1.00 1.75 C ATOM 76 OE1 GLU A 6 9.686 -7.318 3.493 1.00 2.73 O ATOM 77 OE2 GLU A 6 9.460 -8.421 5.378 1.00 2.05 O ATOM 0 H GLU A 6 7.176 -9.912 0.185 1.00 0.36 H new ATOM 0 HA GLU A 6 5.863 -10.446 2.704 1.00 0.42 H new ATOM 0 HB2 GLU A 6 8.292 -10.092 2.579 1.00 0.55 H new ATOM 0 HB3 GLU A 6 8.072 -8.570 1.738 1.00 0.55 H new ATOM 0 HG2 GLU A 6 7.002 -7.609 3.759 1.00 0.82 H new ATOM 0 HG3 GLU A 6 7.221 -9.132 4.599 1.00 0.82 H new ATOM 84 N ILE A 7 5.319 -7.735 0.955 1.00 0.21 N ATOM 85 CA ILE A 7 4.619 -6.480 0.873 1.00 0.16 C ATOM 86 C ILE A 7 3.140 -6.679 0.633 1.00 0.14 C ATOM 87 O ILE A 7 2.363 -6.401 1.486 1.00 0.18 O ATOM 88 CB ILE A 7 5.194 -5.672 -0.285 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.675 -5.464 -0.058 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.480 -4.332 -0.394 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.400 -4.934 -1.257 1.00 0.23 C ATOM 0 H ILE A 7 5.836 -7.977 0.110 1.00 0.21 H new ATOM 0 HA ILE A 7 4.746 -5.958 1.822 1.00 0.16 H new ATOM 0 HB ILE A 7 5.046 -6.215 -1.218 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.812 -4.773 0.773 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.125 -6.412 0.238 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.899 -3.763 -1.224 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.417 -4.499 -0.568 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.612 -3.773 0.532 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.456 -4.811 -1.018 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.294 -5.635 -2.085 1.00 0.23 H new ATOM 0 HD13 ILE A 7 6.977 -3.970 -1.541 1.00 0.23 H new ATOM 103 N VAL A 8 2.777 -7.193 -0.515 1.00 0.13 N ATOM 104 CA VAL A 8 1.363 -7.373 -0.879 1.00 0.15 C ATOM 105 C VAL A 8 0.613 -8.198 0.139 1.00 0.18 C ATOM 106 O VAL A 8 -0.487 -7.829 0.526 1.00 0.25 O ATOM 107 CB VAL A 8 1.202 -7.955 -2.299 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.259 -8.151 -2.672 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.874 -7.054 -3.299 1.00 0.17 C ATOM 0 H VAL A 8 3.435 -7.502 -1.230 1.00 0.13 H new ATOM 0 HA VAL A 8 0.916 -6.379 -0.881 1.00 0.15 H new ATOM 0 HB VAL A 8 1.677 -8.936 -2.311 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.325 -8.562 -3.679 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.725 -8.840 -1.967 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.775 -7.192 -2.637 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.757 -7.470 -4.300 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.418 -6.065 -3.262 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.935 -6.974 -3.061 1.00 0.17 H new ATOM 119 N ALA A 9 1.233 -9.261 0.606 1.00 0.18 N ATOM 120 CA ALA A 9 0.626 -10.103 1.613 1.00 0.22 C ATOM 121 C ALA A 9 0.332 -9.293 2.883 1.00 0.21 C ATOM 122 O ALA A 9 -0.744 -9.393 3.461 1.00 0.27 O ATOM 123 CB ALA A 9 1.531 -11.273 1.942 1.00 0.26 C ATOM 0 H ALA A 9 2.159 -9.562 0.303 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.314 -10.488 1.216 1.00 0.22 H new ATOM 0 HB1 ALA A 9 1.059 -11.896 2.701 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.703 -11.864 1.043 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.484 -10.901 2.319 1.00 0.26 H new ATOM 129 N GLY A 10 1.270 -8.428 3.249 1.00 0.18 N ATOM 130 CA GLY A 10 1.147 -7.676 4.434 1.00 0.18 C ATOM 131 C GLY A 10 0.276 -6.484 4.279 1.00 0.15 C ATOM 132 O GLY A 10 -0.503 -6.158 5.168 1.00 0.16 O ATOM 0 H GLY A 10 2.122 -8.248 2.718 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.744 -8.313 5.221 1.00 0.18 H new ATOM 0 HA3 GLY A 10 2.137 -7.356 4.758 1.00 0.18 H new ATOM 136 N LEU A 11 0.394 -5.845 3.145 1.00 0.14 N ATOM 137 CA LEU A 11 -0.329 -4.657 2.845 1.00 0.13 C ATOM 138 C LEU A 11 -1.789 -5.014 2.760 1.00 0.14 C ATOM 139 O LEU A 11 -2.631 -4.255 3.196 1.00 0.16 O ATOM 140 CB LEU A 11 0.176 -4.063 1.527 1.00 0.13 C ATOM 141 CG LEU A 11 0.353 -2.534 1.466 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.865 -2.124 0.105 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.940 -1.817 1.779 1.00 0.20 C ATOM 0 H LEU A 11 1.012 -6.150 2.393 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.184 -3.905 3.621 1.00 0.13 H new ATOM 0 HB2 LEU A 11 1.136 -4.524 1.295 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.517 -4.355 0.738 1.00 0.13 H new ATOM 0 HG LEU A 11 1.084 -2.249 2.223 1.00 0.15 H new ATOM 0 HD11 LEU A 11 0.986 -1.041 0.073 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.826 -2.603 -0.081 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.152 -2.432 -0.660 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.781 -0.740 1.727 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.701 -2.106 1.054 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.272 -2.087 2.781 1.00 0.20 H new ATOM 155 N ALA A 12 -2.072 -6.218 2.243 1.00 0.12 N ATOM 156 CA ALA A 12 -3.417 -6.722 2.191 1.00 0.13 C ATOM 157 C ALA A 12 -3.996 -6.744 3.574 1.00 0.11 C ATOM 158 O ALA A 12 -5.045 -6.173 3.794 1.00 0.13 O ATOM 159 CB ALA A 12 -3.468 -8.110 1.596 1.00 0.14 C ATOM 0 H ALA A 12 -1.371 -6.850 1.857 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.002 -6.062 1.551 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.501 -8.458 1.573 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.070 -8.086 0.581 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.870 -8.789 2.204 1.00 0.14 H new ATOM 165 N GLU A 13 -3.257 -7.345 4.504 1.00 0.12 N ATOM 166 CA GLU A 13 -3.662 -7.458 5.910 1.00 0.13 C ATOM 167 C GLU A 13 -3.949 -6.107 6.506 1.00 0.15 C ATOM 168 O GLU A 13 -4.969 -5.910 7.175 1.00 0.19 O ATOM 169 CB GLU A 13 -2.605 -8.181 6.716 1.00 0.18 C ATOM 170 CG GLU A 13 -2.377 -9.598 6.262 1.00 0.23 C ATOM 171 CD GLU A 13 -1.248 -10.259 7.003 1.00 0.36 C ATOM 172 OE1 GLU A 13 -1.449 -10.770 8.110 1.00 0.68 O ATOM 173 OE2 GLU A 13 -0.134 -10.319 6.473 1.00 0.52 O ATOM 0 H GLU A 13 -2.352 -7.772 4.305 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.582 -8.042 5.944 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.667 -7.630 6.650 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -2.898 -8.186 7.766 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.290 -10.175 6.406 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.161 -9.605 5.194 1.00 0.23 H new ATOM 180 N ILE A 14 -3.079 -5.176 6.221 1.00 0.14 N ATOM 181 CA ILE A 14 -3.232 -3.795 6.652 1.00 0.17 C ATOM 182 C ILE A 14 -4.568 -3.221 6.147 1.00 0.18 C ATOM 183 O ILE A 14 -5.340 -2.645 6.916 1.00 0.22 O ATOM 184 CB ILE A 14 -2.056 -2.972 6.104 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.769 -3.456 6.758 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.265 -1.486 6.349 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.471 -3.053 6.035 1.00 0.25 C ATOM 0 H ILE A 14 -2.233 -5.347 5.678 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.235 -3.750 7.741 1.00 0.17 H new ATOM 0 HB ILE A 14 -1.990 -3.113 5.025 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.724 -3.070 7.776 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -0.797 -4.543 6.830 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.417 -0.929 5.951 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.179 -1.160 5.852 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.349 -1.302 7.420 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.342 -3.437 6.565 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.452 -3.461 5.025 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.526 -1.966 5.986 1.00 0.25 H new ATOM 199 N VAL A 15 -4.871 -3.468 4.883 1.00 0.15 N ATOM 200 CA VAL A 15 -6.063 -2.928 4.245 1.00 0.17 C ATOM 201 C VAL A 15 -7.321 -3.542 4.871 1.00 0.18 C ATOM 202 O VAL A 15 -8.407 -2.964 4.846 1.00 0.22 O ATOM 203 CB VAL A 15 -6.077 -3.221 2.718 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.288 -2.652 2.065 1.00 0.27 C ATOM 205 CG2 VAL A 15 -4.880 -2.662 2.053 1.00 0.23 C ATOM 0 H VAL A 15 -4.299 -4.048 4.270 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.051 -1.849 4.397 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.083 -4.306 2.611 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.265 -2.875 0.998 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.181 -3.092 2.509 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.305 -1.572 2.209 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -4.919 -2.884 0.986 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -4.854 -1.582 2.199 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -3.983 -3.108 2.483 1.00 0.23 H new ATOM 215 N ASN A 16 -7.163 -4.701 5.442 1.00 0.16 N ATOM 216 CA ASN A 16 -8.281 -5.402 6.047 1.00 0.20 C ATOM 217 C ASN A 16 -8.606 -4.734 7.355 1.00 0.25 C ATOM 218 O ASN A 16 -9.732 -4.300 7.583 1.00 0.34 O ATOM 219 CB ASN A 16 -7.965 -6.880 6.346 1.00 0.20 C ATOM 220 CG ASN A 16 -7.235 -7.620 5.285 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.477 -8.517 5.577 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.478 -7.305 4.064 1.00 0.27 N ATOM 0 H ASN A 16 -6.270 -5.190 5.506 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.110 -5.367 5.340 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.377 -6.926 7.263 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.903 -7.399 6.542 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.027 -7.817 3.306 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.122 -6.543 3.852 1.00 0.27 H new ATOM 229 N GLU A 17 -7.585 -4.600 8.181 1.00 0.26 N ATOM 230 CA GLU A 17 -7.720 -4.074 9.527 1.00 0.35 C ATOM 231 C GLU A 17 -8.107 -2.590 9.511 1.00 0.38 C ATOM 232 O GLU A 17 -8.925 -2.144 10.324 1.00 0.47 O ATOM 233 CB GLU A 17 -6.411 -4.270 10.305 1.00 0.41 C ATOM 234 CG GLU A 17 -5.847 -5.692 10.250 1.00 0.46 C ATOM 235 CD GLU A 17 -6.808 -6.760 10.730 1.00 1.22 C ATOM 236 OE1 GLU A 17 -6.828 -7.057 11.941 1.00 1.35 O ATOM 237 OE2 GLU A 17 -7.539 -7.347 9.902 1.00 2.07 O ATOM 0 H GLU A 17 -6.629 -4.856 7.934 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.519 -4.624 10.024 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.663 -3.581 9.913 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.579 -3.999 11.347 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -5.556 -5.916 9.224 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -4.941 -5.735 10.855 1.00 0.46 H new ATOM 244 N ILE A 18 -7.520 -1.834 8.597 1.00 0.32 N ATOM 245 CA ILE A 18 -7.820 -0.407 8.483 1.00 0.38 C ATOM 246 C ILE A 18 -9.196 -0.219 7.829 1.00 0.39 C ATOM 247 O ILE A 18 -10.084 0.432 8.396 1.00 0.43 O ATOM 248 CB ILE A 18 -6.765 0.308 7.578 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.330 0.166 8.127 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.115 1.783 7.408 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.035 0.934 9.390 1.00 0.58 C ATOM 0 H ILE A 18 -6.835 -2.178 7.924 1.00 0.32 H new ATOM 0 HA ILE A 18 -7.802 0.021 9.485 1.00 0.38 H new ATOM 0 HB ILE A 18 -6.795 -0.185 6.606 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.134 -0.890 8.312 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -4.632 0.490 7.355 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.369 2.263 6.775 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.097 1.873 6.944 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.130 2.268 8.384 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.000 0.763 9.687 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.191 1.998 9.213 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -5.701 0.597 10.185 1.00 0.58 H new ATOM 263 N ALA A 19 -9.374 -0.828 6.669 1.00 0.39 N ATOM 264 CA ALA A 19 -10.568 -0.636 5.878 1.00 0.44 C ATOM 265 C ALA A 19 -11.541 -1.791 6.046 1.00 0.41 C ATOM 266 O ALA A 19 -12.427 -1.754 6.911 1.00 0.54 O ATOM 267 CB ALA A 19 -10.199 -0.448 4.408 1.00 0.48 C ATOM 0 H ALA A 19 -8.695 -1.466 6.254 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.068 0.265 6.234 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.106 -0.304 3.821 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -9.556 0.426 4.303 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -9.671 -1.332 4.050 1.00 0.48 H new ATOM 273 N GLY A 20 -11.355 -2.818 5.245 1.00 0.34 N ATOM 274 CA GLY A 20 -12.208 -3.986 5.315 1.00 0.33 C ATOM 275 C GLY A 20 -12.121 -4.831 4.075 1.00 0.32 C ATOM 276 O GLY A 20 -13.128 -5.166 3.455 1.00 0.43 O ATOM 0 H GLY A 20 -10.621 -2.869 4.538 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.929 -4.586 6.181 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.240 -3.671 5.465 1.00 0.33 H new ATOM 280 N ILE A 21 -10.921 -5.136 3.688 1.00 0.27 N ATOM 281 CA ILE A 21 -10.666 -5.977 2.538 1.00 0.26 C ATOM 282 C ILE A 21 -10.503 -7.443 2.980 1.00 0.25 C ATOM 283 O ILE A 21 -10.143 -7.692 4.102 1.00 0.24 O ATOM 284 CB ILE A 21 -9.429 -5.425 1.734 1.00 0.25 C ATOM 285 CG1 ILE A 21 -9.883 -4.438 0.644 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.512 -6.501 1.162 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.629 -3.215 1.151 1.00 0.29 C ATOM 0 H ILE A 21 -10.077 -4.810 4.159 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.517 -5.953 1.858 1.00 0.26 H new ATOM 0 HB ILE A 21 -8.818 -4.896 2.465 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.006 -4.105 0.089 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.523 -4.969 -0.061 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.689 -6.030 0.625 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.114 -7.110 1.974 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.077 -7.134 0.477 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -10.906 -2.582 0.308 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.529 -3.531 1.679 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -9.988 -2.654 1.831 1.00 0.29 H new ATOM 299 N PRO A 22 -10.804 -8.411 2.114 1.00 0.29 N ATOM 300 CA PRO A 22 -10.700 -9.861 2.429 1.00 0.35 C ATOM 301 C PRO A 22 -9.287 -10.462 2.224 1.00 0.45 C ATOM 302 O PRO A 22 -9.162 -11.627 1.892 1.00 1.08 O ATOM 303 CB PRO A 22 -11.644 -10.490 1.398 1.00 0.37 C ATOM 304 CG PRO A 22 -12.314 -9.348 0.703 1.00 0.44 C ATOM 305 CD PRO A 22 -11.376 -8.214 0.790 1.00 0.34 C ATOM 0 HA PRO A 22 -10.934 -10.043 3.478 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.092 -11.108 0.690 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.376 -11.136 1.882 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.531 -9.596 -0.336 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.265 -9.106 1.178 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.619 -8.247 0.007 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -11.884 -7.254 0.701 1.00 0.34 H new ATOM 313 N VAL A 23 -8.253 -9.656 2.421 1.00 0.39 N ATOM 314 CA VAL A 23 -6.789 -10.034 2.290 1.00 0.32 C ATOM 315 C VAL A 23 -6.366 -10.662 0.916 1.00 0.42 C ATOM 316 O VAL A 23 -5.214 -10.975 0.697 1.00 0.81 O ATOM 317 CB VAL A 23 -6.235 -10.881 3.524 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.694 -12.333 3.528 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.719 -10.784 3.673 1.00 0.33 C ATOM 0 H VAL A 23 -8.378 -8.679 2.687 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.294 -9.063 2.313 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.684 -10.413 4.400 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.277 -12.844 4.396 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.782 -12.370 3.573 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.351 -12.825 2.618 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.399 -11.379 4.528 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.240 -11.160 2.769 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.435 -9.743 3.829 1.00 0.33 H new ATOM 329 N GLU A 24 -7.277 -10.755 -0.013 1.00 0.33 N ATOM 330 CA GLU A 24 -6.965 -11.335 -1.316 1.00 0.40 C ATOM 331 C GLU A 24 -7.373 -10.409 -2.445 1.00 0.34 C ATOM 332 O GLU A 24 -7.167 -10.697 -3.621 1.00 0.44 O ATOM 333 CB GLU A 24 -7.657 -12.683 -1.428 1.00 0.57 C ATOM 334 CG GLU A 24 -9.146 -12.639 -1.145 1.00 1.36 C ATOM 335 CD GLU A 24 -9.751 -14.003 -1.109 1.00 1.86 C ATOM 336 OE1 GLU A 24 -9.415 -14.785 -0.229 1.00 2.31 O ATOM 337 OE2 GLU A 24 -10.567 -14.325 -1.972 1.00 2.20 O ATOM 0 H GLU A 24 -8.242 -10.442 0.095 1.00 0.33 H new ATOM 0 HA GLU A 24 -5.887 -11.474 -1.401 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -7.500 -13.078 -2.432 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -7.186 -13.380 -0.734 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -9.319 -12.141 -0.191 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -9.643 -12.043 -1.910 1.00 1.36 H new ATOM 344 N ASP A 25 -7.908 -9.281 -2.057 1.00 0.28 N ATOM 345 CA ASP A 25 -8.427 -8.280 -2.991 1.00 0.29 C ATOM 346 C ASP A 25 -7.315 -7.329 -3.363 1.00 0.25 C ATOM 347 O ASP A 25 -7.310 -6.708 -4.417 1.00 0.28 O ATOM 348 CB ASP A 25 -9.523 -7.508 -2.282 1.00 0.35 C ATOM 349 CG ASP A 25 -10.402 -6.692 -3.200 1.00 0.94 C ATOM 350 OD1 ASP A 25 -10.719 -7.166 -4.309 1.00 1.59 O ATOM 351 OD2 ASP A 25 -10.709 -5.534 -2.869 1.00 1.57 O ATOM 0 H ASP A 25 -8.003 -9.016 -1.077 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.813 -8.757 -3.892 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -10.147 -8.211 -1.730 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.067 -6.843 -1.549 1.00 0.35 H new ATOM 356 N VAL A 26 -6.358 -7.257 -2.480 1.00 0.23 N ATOM 357 CA VAL A 26 -5.232 -6.354 -2.614 1.00 0.22 C ATOM 358 C VAL A 26 -4.199 -6.964 -3.553 1.00 0.25 C ATOM 359 O VAL A 26 -3.396 -7.792 -3.153 1.00 0.30 O ATOM 360 CB VAL A 26 -4.600 -6.078 -1.229 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.499 -5.065 -1.324 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.641 -5.589 -0.263 1.00 0.27 C ATOM 0 H VAL A 26 -6.331 -7.827 -1.635 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.579 -5.408 -3.030 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.181 -7.018 -0.869 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.076 -4.894 -0.334 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.721 -5.435 -1.992 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.898 -4.129 -1.715 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.178 -5.400 0.706 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.083 -4.667 -0.640 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.418 -6.345 -0.152 1.00 0.27 H new ATOM 372 N LYS A 27 -4.301 -6.622 -4.801 1.00 0.28 N ATOM 373 CA LYS A 27 -3.429 -7.116 -5.825 1.00 0.35 C ATOM 374 C LYS A 27 -2.756 -5.953 -6.476 1.00 0.37 C ATOM 375 O LYS A 27 -3.197 -4.816 -6.319 1.00 0.72 O ATOM 376 CB LYS A 27 -4.236 -7.868 -6.876 1.00 0.40 C ATOM 377 CG LYS A 27 -4.762 -9.215 -6.448 1.00 0.83 C ATOM 378 CD LYS A 27 -3.636 -10.225 -6.321 1.00 1.13 C ATOM 379 CE LYS A 27 -4.155 -11.629 -6.050 1.00 1.15 C ATOM 380 NZ LYS A 27 -4.787 -11.775 -4.716 1.00 1.58 N ATOM 0 H LYS A 27 -5.011 -5.975 -5.145 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.694 -7.790 -5.385 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -5.080 -7.246 -7.175 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.612 -8.005 -7.759 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -5.279 -9.120 -5.493 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -5.494 -9.571 -7.173 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -3.047 -10.227 -7.238 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -2.968 -9.924 -5.514 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -4.880 -11.895 -6.819 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -3.329 -12.336 -6.132 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -5.012 -12.776 -4.546 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -4.131 -11.438 -3.982 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -5.662 -11.213 -4.683 1.00 1.58 H new ATOM 394 N LEU A 28 -1.735 -6.213 -7.229 1.00 0.24 N ATOM 395 CA LEU A 28 -1.030 -5.183 -7.915 1.00 0.22 C ATOM 396 C LEU A 28 -1.970 -4.622 -8.968 1.00 0.23 C ATOM 397 O LEU A 28 -2.774 -5.372 -9.519 1.00 0.31 O ATOM 398 CB LEU A 28 0.234 -5.752 -8.569 1.00 0.27 C ATOM 399 CG LEU A 28 1.213 -6.494 -7.644 1.00 0.43 C ATOM 400 CD1 LEU A 28 2.357 -7.094 -8.442 1.00 1.05 C ATOM 401 CD2 LEU A 28 1.760 -5.566 -6.582 1.00 1.05 C ATOM 0 H LEU A 28 -1.367 -7.151 -7.385 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.717 -4.399 -7.225 1.00 0.22 H new ATOM 0 HB2 LEU A 28 -0.071 -6.436 -9.361 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.771 -4.931 -9.045 1.00 0.27 H new ATOM 0 HG LEU A 28 0.664 -7.299 -7.156 1.00 0.43 H new ATOM 0 HD11 LEU A 28 3.037 -7.614 -7.768 1.00 1.05 H new ATOM 0 HD12 LEU A 28 1.961 -7.799 -9.173 1.00 1.05 H new ATOM 0 HD13 LEU A 28 2.895 -6.300 -8.959 1.00 1.05 H new ATOM 0 HD21 LEU A 28 2.450 -6.114 -5.940 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.286 -4.739 -7.058 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.938 -5.176 -5.982 1.00 1.05 H new ATOM 413 N ASP A 29 -1.901 -3.309 -9.186 1.00 0.24 N ATOM 414 CA ASP A 29 -2.783 -2.564 -10.137 1.00 0.31 C ATOM 415 C ASP A 29 -4.091 -2.166 -9.456 1.00 0.28 C ATOM 416 O ASP A 29 -4.934 -1.511 -10.026 1.00 0.38 O ATOM 417 CB ASP A 29 -3.026 -3.338 -11.470 1.00 0.42 C ATOM 418 CG ASP A 29 -3.944 -2.647 -12.465 1.00 0.60 C ATOM 419 OD1 ASP A 29 -3.547 -1.612 -13.045 1.00 0.72 O ATOM 420 OD2 ASP A 29 -5.069 -3.117 -12.675 1.00 0.70 O ATOM 0 H ASP A 29 -1.228 -2.708 -8.710 1.00 0.24 H new ATOM 0 HA ASP A 29 -2.258 -1.652 -10.420 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -2.063 -3.513 -11.950 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.446 -4.315 -11.232 1.00 0.42 H new ATOM 425 N LYS A 30 -4.219 -2.499 -8.188 1.00 0.19 N ATOM 426 CA LYS A 30 -5.408 -2.129 -7.466 1.00 0.20 C ATOM 427 C LYS A 30 -5.179 -0.870 -6.735 1.00 0.20 C ATOM 428 O LYS A 30 -4.354 -0.793 -5.859 1.00 0.24 O ATOM 429 CB LYS A 30 -5.881 -3.150 -6.504 1.00 0.28 C ATOM 430 CG LYS A 30 -6.359 -4.451 -7.102 1.00 0.36 C ATOM 431 CD LYS A 30 -7.641 -4.258 -7.870 1.00 0.45 C ATOM 432 CE LYS A 30 -8.169 -5.565 -8.406 1.00 0.79 C ATOM 433 NZ LYS A 30 -7.441 -6.042 -9.598 1.00 1.48 N ATOM 0 H LYS A 30 -3.525 -3.016 -7.648 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.185 -2.020 -8.222 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.070 -3.369 -5.809 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.695 -2.721 -5.920 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.592 -4.854 -7.764 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.513 -5.184 -6.310 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.389 -3.801 -7.222 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.471 -3.568 -8.696 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -8.108 -6.322 -7.624 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -9.224 -5.448 -8.655 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -7.851 -6.943 -9.918 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -7.520 -5.337 -10.358 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -6.439 -6.183 -9.359 1.00 1.48 H new ATOM 447 N SER A 31 -5.949 0.046 -7.060 1.00 0.20 N ATOM 448 CA SER A 31 -5.864 1.426 -6.646 1.00 0.34 C ATOM 449 C SER A 31 -6.506 1.666 -5.254 1.00 0.53 C ATOM 450 O SER A 31 -7.075 2.731 -5.005 1.00 1.25 O ATOM 451 CB SER A 31 -6.546 2.267 -7.736 1.00 0.36 C ATOM 452 OG SER A 31 -6.304 3.660 -7.602 1.00 0.86 O ATOM 0 H SER A 31 -6.743 -0.121 -7.679 1.00 0.20 H new ATOM 0 HA SER A 31 -4.819 1.716 -6.533 1.00 0.34 H new ATOM 0 HB2 SER A 31 -6.195 1.936 -8.714 1.00 0.36 H new ATOM 0 HB3 SER A 31 -7.621 2.087 -7.705 1.00 0.36 H new ATOM 0 HG SER A 31 -6.509 3.941 -6.686 1.00 0.86 H new ATOM 458 N PHE A 32 -6.366 0.674 -4.372 1.00 0.29 N ATOM 459 CA PHE A 32 -6.810 0.684 -2.975 1.00 0.28 C ATOM 460 C PHE A 32 -8.193 1.308 -2.730 1.00 0.26 C ATOM 461 O PHE A 32 -9.207 0.631 -2.791 1.00 0.40 O ATOM 462 CB PHE A 32 -5.775 1.325 -2.066 1.00 0.40 C ATOM 463 CG PHE A 32 -4.480 0.592 -1.895 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.366 -0.443 -0.993 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.385 0.919 -2.668 1.00 0.35 C ATOM 466 CE1 PHE A 32 -3.186 -1.133 -0.865 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.211 0.233 -2.543 1.00 0.34 C ATOM 468 CZ PHE A 32 -2.082 -0.721 -1.517 1.00 0.36 C ATOM 0 H PHE A 32 -5.916 -0.205 -4.626 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.918 -0.371 -2.724 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.554 2.320 -2.452 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.223 1.457 -1.081 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -5.213 -0.714 -0.381 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.457 1.727 -3.381 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -3.143 -2.011 -0.238 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.393 0.420 -3.222 1.00 0.34 H new ATOM 0 HZ PHE A 32 -1.112 -1.117 -1.256 1.00 0.36 H new ATOM 478 N THR A 33 -8.216 2.590 -2.482 1.00 0.28 N ATOM 479 CA THR A 33 -9.426 3.319 -2.200 1.00 0.36 C ATOM 480 C THR A 33 -10.395 3.288 -3.401 1.00 0.45 C ATOM 481 O THR A 33 -11.615 3.291 -3.227 1.00 1.06 O ATOM 482 CB THR A 33 -9.104 4.793 -1.763 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.283 5.482 -1.359 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.423 5.572 -2.880 1.00 0.78 C ATOM 0 H THR A 33 -7.377 3.170 -2.470 1.00 0.28 H new ATOM 0 HA THR A 33 -9.926 2.825 -1.367 1.00 0.36 H new ATOM 0 HB THR A 33 -8.422 4.727 -0.915 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.735 4.972 -0.654 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.216 6.587 -2.542 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.488 5.081 -3.148 1.00 0.78 H new ATOM 0 HG23 THR A 33 -9.078 5.607 -3.751 1.00 0.78 H new ATOM 492 N ASP A 34 -9.848 3.157 -4.598 1.00 0.32 N ATOM 493 CA ASP A 34 -10.665 3.161 -5.797 1.00 0.34 C ATOM 494 C ASP A 34 -11.163 1.760 -6.108 1.00 0.35 C ATOM 495 O ASP A 34 -12.362 1.530 -6.170 1.00 0.50 O ATOM 496 CB ASP A 34 -9.885 3.723 -6.996 1.00 0.38 C ATOM 497 CG ASP A 34 -10.727 3.881 -8.262 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.060 2.852 -8.903 1.00 1.74 O ATOM 499 OD2 ASP A 34 -11.080 5.020 -8.640 1.00 1.04 O ATOM 0 H ASP A 34 -8.848 3.047 -4.764 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.523 3.807 -5.614 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.469 4.693 -6.724 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -9.043 3.064 -7.211 1.00 0.38 H new ATOM 504 N ASP A 35 -10.241 0.807 -6.251 1.00 0.30 N ATOM 505 CA ASP A 35 -10.630 -0.553 -6.668 1.00 0.32 C ATOM 506 C ASP A 35 -11.154 -1.395 -5.544 1.00 0.35 C ATOM 507 O ASP A 35 -12.083 -2.159 -5.727 1.00 0.52 O ATOM 508 CB ASP A 35 -9.478 -1.326 -7.309 1.00 0.31 C ATOM 509 CG ASP A 35 -9.037 -0.802 -8.636 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.821 -0.855 -9.573 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.928 -0.288 -8.751 1.00 1.10 O ATOM 0 H ASP A 35 -9.242 0.939 -6.090 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.423 -0.381 -7.396 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.627 -1.314 -6.628 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.778 -2.367 -7.426 1.00 0.31 H new ATOM 516 N LEU A 36 -10.566 -1.262 -4.387 1.00 0.30 N ATOM 517 CA LEU A 36 -10.873 -2.165 -3.300 1.00 0.33 C ATOM 518 C LEU A 36 -12.140 -1.754 -2.551 1.00 0.39 C ATOM 519 O LEU A 36 -13.204 -2.331 -2.767 1.00 0.81 O ATOM 520 CB LEU A 36 -9.692 -2.264 -2.324 1.00 0.33 C ATOM 521 CG LEU A 36 -8.309 -2.503 -2.925 1.00 0.33 C ATOM 522 CD1 LEU A 36 -7.273 -2.688 -1.837 1.00 0.36 C ATOM 523 CD2 LEU A 36 -8.304 -3.668 -3.877 1.00 0.36 C ATOM 0 H LEU A 36 -9.875 -0.544 -4.168 1.00 0.30 H new ATOM 0 HA LEU A 36 -11.053 -3.145 -3.742 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.654 -1.341 -1.745 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.900 -3.072 -1.623 1.00 0.33 H new ATOM 0 HG LEU A 36 -8.047 -1.615 -3.501 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -6.296 -2.857 -2.290 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -7.235 -1.794 -1.215 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.541 -3.547 -1.222 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -7.301 -3.803 -4.282 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.606 -4.572 -3.348 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -9.001 -3.475 -4.692 1.00 0.36 H new ATOM 535 N ASP A 37 -12.023 -0.719 -1.713 1.00 0.35 N ATOM 536 CA ASP A 37 -13.133 -0.269 -0.814 1.00 0.45 C ATOM 537 C ASP A 37 -12.629 0.772 0.165 1.00 0.39 C ATOM 538 O ASP A 37 -13.405 1.548 0.708 1.00 0.87 O ATOM 539 CB ASP A 37 -13.699 -1.453 0.016 1.00 0.79 C ATOM 540 CG ASP A 37 -14.810 -1.046 0.968 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.957 -0.874 0.519 1.00 1.12 O ATOM 542 OD2 ASP A 37 -14.554 -0.896 2.180 1.00 0.99 O ATOM 0 H ASP A 37 -11.172 -0.163 -1.626 1.00 0.35 H new ATOM 0 HA ASP A 37 -13.913 0.145 -1.453 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.075 -2.217 -0.664 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -12.889 -1.906 0.587 1.00 0.79 H new ATOM 547 N VAL A 38 -11.312 0.780 0.361 1.00 0.38 N ATOM 548 CA VAL A 38 -10.626 1.623 1.349 1.00 0.37 C ATOM 549 C VAL A 38 -11.091 3.072 1.283 1.00 0.48 C ATOM 550 O VAL A 38 -11.361 3.606 0.203 1.00 0.79 O ATOM 551 CB VAL A 38 -9.095 1.611 1.115 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.352 2.222 2.297 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.589 0.219 0.825 1.00 0.43 C ATOM 0 H VAL A 38 -10.674 0.189 -0.172 1.00 0.38 H new ATOM 0 HA VAL A 38 -10.870 1.206 2.326 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.897 2.225 0.237 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.280 2.200 2.104 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.674 3.254 2.435 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.570 1.650 3.199 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.511 0.249 0.666 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -8.813 -0.433 1.669 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.077 -0.166 -0.070 1.00 0.43 H new ATOM 563 N ASP A 39 -11.242 3.670 2.418 1.00 0.39 N ATOM 564 CA ASP A 39 -11.580 5.071 2.494 1.00 0.55 C ATOM 565 C ASP A 39 -10.323 5.857 2.311 1.00 0.67 C ATOM 566 O ASP A 39 -9.352 5.599 2.999 1.00 1.53 O ATOM 567 CB ASP A 39 -12.145 5.458 3.868 1.00 0.64 C ATOM 568 CG ASP A 39 -13.400 4.733 4.260 1.00 1.28 C ATOM 569 OD1 ASP A 39 -14.444 4.978 3.642 1.00 1.51 O ATOM 570 OD2 ASP A 39 -13.374 3.917 5.198 1.00 2.00 O ATOM 0 H ASP A 39 -11.137 3.211 3.323 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.331 5.275 1.730 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -11.383 5.271 4.624 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -12.344 6.530 3.875 1.00 0.64 H new ATOM 575 N SER A 40 -10.326 6.770 1.373 1.00 0.45 N ATOM 576 CA SER A 40 -9.252 7.715 1.153 1.00 0.37 C ATOM 577 C SER A 40 -8.665 8.333 2.449 1.00 0.34 C ATOM 578 O SER A 40 -7.462 8.572 2.521 1.00 0.46 O ATOM 579 CB SER A 40 -9.744 8.784 0.241 1.00 0.51 C ATOM 580 OG SER A 40 -8.811 9.857 0.221 1.00 0.78 O ATOM 0 H SER A 40 -11.100 6.883 0.718 1.00 0.45 H new ATOM 0 HA SER A 40 -8.425 7.163 0.706 1.00 0.37 H new ATOM 0 HB2 SER A 40 -9.878 8.386 -0.765 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.718 9.141 0.574 1.00 0.51 H new ATOM 585 N LEU A 41 -9.482 8.584 3.461 1.00 0.32 N ATOM 586 CA LEU A 41 -8.934 9.140 4.693 1.00 0.36 C ATOM 587 C LEU A 41 -8.126 8.083 5.500 1.00 0.33 C ATOM 588 O LEU A 41 -7.102 8.387 6.116 1.00 0.41 O ATOM 589 CB LEU A 41 -10.009 9.902 5.533 1.00 0.51 C ATOM 590 CG LEU A 41 -11.325 9.175 5.913 1.00 0.65 C ATOM 591 CD1 LEU A 41 -11.124 8.138 6.999 1.00 1.15 C ATOM 592 CD2 LEU A 41 -12.383 10.177 6.337 1.00 1.18 C ATOM 0 H LEU A 41 -10.489 8.420 3.460 1.00 0.32 H new ATOM 0 HA LEU A 41 -8.209 9.903 4.411 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -9.533 10.226 6.459 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -10.279 10.803 4.982 1.00 0.51 H new ATOM 0 HG LEU A 41 -11.662 8.647 5.021 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -12.077 7.660 7.226 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -10.413 7.386 6.657 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.737 8.621 7.896 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -13.300 9.649 6.600 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -12.027 10.738 7.201 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -12.583 10.864 5.515 1.00 1.18 H new ATOM 604 N SER A 42 -8.554 6.837 5.428 1.00 0.31 N ATOM 605 CA SER A 42 -7.879 5.732 6.099 1.00 0.33 C ATOM 606 C SER A 42 -6.739 5.216 5.221 1.00 0.27 C ATOM 607 O SER A 42 -5.867 4.485 5.659 1.00 0.26 O ATOM 608 CB SER A 42 -8.884 4.622 6.338 1.00 0.45 C ATOM 609 OG SER A 42 -10.014 5.129 7.033 1.00 0.60 O ATOM 0 H SER A 42 -9.382 6.557 4.902 1.00 0.31 H new ATOM 0 HA SER A 42 -7.467 6.070 7.050 1.00 0.33 H new ATOM 0 HB2 SER A 42 -9.196 4.192 5.386 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.422 3.820 6.914 1.00 0.45 H new ATOM 0 HG SER A 42 -10.658 4.406 7.181 1.00 0.60 H new ATOM 615 N MET A 43 -6.767 5.642 4.001 1.00 0.27 N ATOM 616 CA MET A 43 -5.879 5.242 2.959 1.00 0.31 C ATOM 617 C MET A 43 -4.451 5.617 3.303 1.00 0.25 C ATOM 618 O MET A 43 -3.535 4.846 3.080 1.00 0.28 O ATOM 619 CB MET A 43 -6.339 5.925 1.684 1.00 0.46 C ATOM 620 CG MET A 43 -5.770 5.458 0.374 1.00 0.73 C ATOM 621 SD MET A 43 -6.223 3.783 -0.057 1.00 0.86 S ATOM 622 CE MET A 43 -5.052 2.836 0.901 1.00 0.40 C ATOM 0 H MET A 43 -7.457 6.324 3.685 1.00 0.27 H new ATOM 0 HA MET A 43 -5.897 4.160 2.829 1.00 0.31 H new ATOM 0 HB2 MET A 43 -7.423 5.827 1.628 1.00 0.46 H new ATOM 0 HB3 MET A 43 -6.120 6.988 1.780 1.00 0.46 H new ATOM 0 HG2 MET A 43 -6.105 6.129 -0.416 1.00 0.73 H new ATOM 0 HG3 MET A 43 -4.683 5.531 0.415 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.158 1.778 0.663 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.039 3.161 0.663 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.242 2.990 1.963 1.00 0.40 H new ATOM 632 N VAL A 44 -4.287 6.779 3.910 1.00 0.22 N ATOM 633 CA VAL A 44 -2.971 7.259 4.317 1.00 0.22 C ATOM 634 C VAL A 44 -2.399 6.378 5.457 1.00 0.21 C ATOM 635 O VAL A 44 -1.179 6.207 5.585 1.00 0.26 O ATOM 636 CB VAL A 44 -3.026 8.753 4.755 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.644 9.283 5.124 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.641 9.601 3.653 1.00 0.30 C ATOM 0 H VAL A 44 -5.053 7.414 4.135 1.00 0.22 H new ATOM 0 HA VAL A 44 -2.307 7.187 3.456 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.652 8.816 5.645 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.723 10.328 5.424 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.239 8.698 5.950 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.981 9.202 4.262 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.674 10.643 3.971 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -3.038 9.516 2.749 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.653 9.252 3.447 1.00 0.30 H new ATOM 648 N GLU A 45 -3.289 5.772 6.233 1.00 0.19 N ATOM 649 CA GLU A 45 -2.892 4.899 7.339 1.00 0.18 C ATOM 650 C GLU A 45 -2.292 3.650 6.764 1.00 0.20 C ATOM 651 O GLU A 45 -1.231 3.221 7.164 1.00 0.25 O ATOM 652 CB GLU A 45 -4.097 4.480 8.162 1.00 0.17 C ATOM 653 CG GLU A 45 -4.970 5.601 8.647 1.00 0.29 C ATOM 654 CD GLU A 45 -4.271 6.539 9.581 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.644 7.504 9.114 1.00 0.58 O ATOM 656 OE2 GLU A 45 -4.357 6.332 10.807 1.00 0.68 O ATOM 0 H GLU A 45 -4.298 5.868 6.118 1.00 0.19 H new ATOM 0 HA GLU A 45 -2.188 5.441 7.971 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.705 3.802 7.564 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.746 3.916 9.026 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -5.338 6.163 7.788 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.841 5.181 9.150 1.00 0.29 H new ATOM 663 N VAL A 46 -2.981 3.120 5.761 1.00 0.19 N ATOM 664 CA VAL A 46 -2.626 1.881 5.076 1.00 0.22 C ATOM 665 C VAL A 46 -1.203 1.975 4.470 1.00 0.20 C ATOM 666 O VAL A 46 -0.500 0.987 4.341 1.00 0.23 O ATOM 667 CB VAL A 46 -3.651 1.599 3.930 1.00 0.31 C ATOM 668 CG1 VAL A 46 -3.408 0.276 3.245 1.00 0.53 C ATOM 669 CG2 VAL A 46 -5.081 1.662 4.438 1.00 0.63 C ATOM 0 H VAL A 46 -3.827 3.552 5.390 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.648 1.070 5.804 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.501 2.387 3.192 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -4.149 0.132 2.458 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -2.409 0.270 2.809 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.491 -0.531 3.973 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.768 1.461 3.616 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -5.223 0.916 5.220 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -5.280 2.654 4.843 1.00 0.63 H new ATOM 679 N VAL A 47 -0.785 3.187 4.189 1.00 0.17 N ATOM 680 CA VAL A 47 0.509 3.445 3.545 1.00 0.18 C ATOM 681 C VAL A 47 1.585 3.395 4.580 1.00 0.19 C ATOM 682 O VAL A 47 2.569 2.670 4.437 1.00 0.21 O ATOM 683 CB VAL A 47 0.560 4.844 2.914 1.00 0.22 C ATOM 684 CG1 VAL A 47 1.848 5.020 2.128 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.628 5.090 2.041 1.00 0.54 C ATOM 0 H VAL A 47 -1.322 4.030 4.395 1.00 0.17 H new ATOM 0 HA VAL A 47 0.646 2.691 2.770 1.00 0.18 H new ATOM 0 HB VAL A 47 0.537 5.579 3.719 1.00 0.22 H new ATOM 0 HG11 VAL A 47 1.871 6.016 1.686 1.00 0.55 H new ATOM 0 HG12 VAL A 47 2.701 4.899 2.796 1.00 0.55 H new ATOM 0 HG13 VAL A 47 1.897 4.271 1.338 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.562 6.089 1.609 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.651 4.350 1.241 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.539 5.011 2.635 1.00 0.54 H new ATOM 695 N VAL A 48 1.404 4.186 5.615 1.00 0.19 N ATOM 696 CA VAL A 48 2.361 4.247 6.686 1.00 0.23 C ATOM 697 C VAL A 48 2.442 2.887 7.368 1.00 0.23 C ATOM 698 O VAL A 48 3.514 2.446 7.746 1.00 0.35 O ATOM 699 CB VAL A 48 2.010 5.372 7.703 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.024 5.433 8.841 1.00 0.42 C ATOM 701 CG2 VAL A 48 1.946 6.717 6.988 1.00 0.33 C ATOM 0 H VAL A 48 0.596 4.797 5.733 1.00 0.19 H new ATOM 0 HA VAL A 48 3.338 4.495 6.271 1.00 0.23 H new ATOM 0 HB VAL A 48 1.036 5.143 8.135 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.748 6.229 9.532 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.034 4.480 9.371 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.015 5.633 8.435 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.700 7.499 7.706 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.912 6.933 6.533 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.180 6.681 6.214 1.00 0.33 H new ATOM 711 N ALA A 49 1.313 2.179 7.419 1.00 0.18 N ATOM 712 CA ALA A 49 1.286 0.896 8.032 1.00 0.18 C ATOM 713 C ALA A 49 2.053 -0.099 7.185 1.00 0.17 C ATOM 714 O ALA A 49 2.696 -1.019 7.701 1.00 0.21 O ATOM 715 CB ALA A 49 -0.129 0.433 8.294 1.00 0.20 C ATOM 0 H ALA A 49 0.420 2.491 7.038 1.00 0.18 H new ATOM 0 HA ALA A 49 1.775 0.968 9.004 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -0.109 -0.551 8.763 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.627 1.141 8.957 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.673 0.375 7.351 1.00 0.20 H new ATOM 721 N ALA A 50 2.003 0.117 5.874 1.00 0.16 N ATOM 722 CA ALA A 50 2.725 -0.691 4.932 1.00 0.18 C ATOM 723 C ALA A 50 4.224 -0.560 5.184 1.00 0.18 C ATOM 724 O ALA A 50 4.900 -1.545 5.478 1.00 0.21 O ATOM 725 CB ALA A 50 2.353 -0.310 3.475 1.00 0.18 C ATOM 0 H ALA A 50 1.455 0.863 5.446 1.00 0.16 H new ATOM 0 HA ALA A 50 2.445 -1.735 5.070 1.00 0.18 H new ATOM 0 HB1 ALA A 50 2.913 -0.936 2.781 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.285 -0.463 3.320 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.599 0.737 3.299 1.00 0.18 H new ATOM 731 N GLU A 51 4.730 0.650 5.160 1.00 0.18 N ATOM 732 CA GLU A 51 6.160 0.859 5.320 1.00 0.23 C ATOM 733 C GLU A 51 6.687 0.522 6.709 1.00 0.23 C ATOM 734 O GLU A 51 7.831 0.054 6.844 1.00 0.30 O ATOM 735 CB GLU A 51 6.600 2.218 4.809 1.00 0.29 C ATOM 736 CG GLU A 51 5.856 3.389 5.346 1.00 0.31 C ATOM 737 CD GLU A 51 6.624 4.184 6.360 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.800 3.677 7.468 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.035 5.331 6.096 1.00 0.64 O ATOM 0 H GLU A 51 4.183 1.502 5.033 1.00 0.18 H new ATOM 0 HA GLU A 51 6.642 0.123 4.676 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.657 2.347 5.041 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.510 2.222 3.723 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.581 4.043 4.518 1.00 0.31 H new ATOM 0 HG3 GLU A 51 4.928 3.041 5.799 1.00 0.31 H new ATOM 746 N GLU A 52 5.855 0.705 7.725 1.00 0.22 N ATOM 747 CA GLU A 52 6.203 0.311 9.091 1.00 0.26 C ATOM 748 C GLU A 52 6.461 -1.187 9.159 1.00 0.24 C ATOM 749 O GLU A 52 7.329 -1.641 9.892 1.00 0.35 O ATOM 750 CB GLU A 52 5.091 0.690 10.076 1.00 0.33 C ATOM 751 CG GLU A 52 5.016 2.169 10.418 1.00 0.46 C ATOM 752 CD GLU A 52 6.166 2.636 11.277 1.00 1.20 C ATOM 753 OE1 GLU A 52 6.117 2.447 12.510 1.00 1.50 O ATOM 754 OE2 GLU A 52 7.117 3.244 10.764 1.00 2.07 O ATOM 0 H GLU A 52 4.930 1.125 7.632 1.00 0.22 H new ATOM 0 HA GLU A 52 7.110 0.846 9.372 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.134 0.380 9.657 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.234 0.126 10.998 1.00 0.33 H new ATOM 0 HG2 GLU A 52 5.000 2.749 9.495 1.00 0.46 H new ATOM 0 HG3 GLU A 52 4.078 2.369 10.936 1.00 0.46 H new ATOM 761 N ARG A 53 5.728 -1.943 8.366 1.00 0.18 N ATOM 762 CA ARG A 53 5.875 -3.376 8.350 1.00 0.21 C ATOM 763 C ARG A 53 6.977 -3.831 7.379 1.00 0.24 C ATOM 764 O ARG A 53 7.830 -4.627 7.745 1.00 0.37 O ATOM 765 CB ARG A 53 4.536 -4.067 8.009 1.00 0.25 C ATOM 766 CG ARG A 53 4.634 -5.589 7.936 1.00 0.41 C ATOM 767 CD ARG A 53 3.311 -6.245 7.560 1.00 0.49 C ATOM 768 NE ARG A 53 3.469 -7.692 7.365 1.00 1.36 N ATOM 769 CZ ARG A 53 2.469 -8.563 7.242 1.00 1.55 C ATOM 770 NH1 ARG A 53 1.254 -8.249 7.634 1.00 1.19 N ATOM 771 NH2 ARG A 53 2.690 -9.781 6.764 1.00 2.48 N ATOM 0 H ARG A 53 5.023 -1.582 7.723 1.00 0.18 H new ATOM 0 HA ARG A 53 6.176 -3.676 9.354 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.795 -3.795 8.760 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.175 -3.688 7.053 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.393 -5.866 7.204 1.00 0.41 H new ATOM 0 HG3 ARG A 53 4.965 -5.975 8.900 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.575 -6.060 8.343 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.925 -5.793 6.646 1.00 0.49 H new ATOM 0 HE ARG A 53 4.420 -8.059 7.320 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.070 -7.330 8.037 1.00 1.19 H new ATOM 0 HH12 ARG A 53 0.496 -8.924 7.535 1.00 1.19 H new ATOM 0 HH21 ARG A 53 3.632 -10.057 6.487 1.00 2.48 H new ATOM 0 HH22 ARG A 53 1.918 -10.441 6.673 1.00 2.48 H new ATOM 785 N PHE A 54 6.992 -3.283 6.167 1.00 0.20 N ATOM 786 CA PHE A 54 7.873 -3.820 5.097 1.00 0.26 C ATOM 787 C PHE A 54 9.276 -3.282 5.133 1.00 0.37 C ATOM 788 O PHE A 54 10.095 -3.639 4.290 1.00 0.81 O ATOM 789 CB PHE A 54 7.281 -3.588 3.723 1.00 0.18 C ATOM 790 CG PHE A 54 5.867 -3.951 3.655 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.434 -5.108 4.221 1.00 0.27 C ATOM 792 CD2 PHE A 54 4.977 -3.157 2.978 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.136 -5.474 4.122 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.686 -3.518 2.868 1.00 0.29 C ATOM 795 CZ PHE A 54 3.222 -4.569 3.624 1.00 0.33 C ATOM 0 H PHE A 54 6.422 -2.484 5.890 1.00 0.20 H new ATOM 0 HA PHE A 54 7.935 -4.890 5.298 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.397 -2.538 3.453 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.838 -4.169 2.988 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.131 -5.739 4.753 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.315 -2.235 2.530 1.00 0.19 H new ATOM 0 HE1 PHE A 54 3.820 -6.460 4.428 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.024 -2.991 2.197 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.167 -4.683 3.823 1.00 0.33 H new ATOM 805 N ASP A 55 9.518 -2.388 6.062 1.00 0.23 N ATOM 806 CA ASP A 55 10.871 -1.790 6.334 1.00 0.30 C ATOM 807 C ASP A 55 11.217 -0.662 5.359 1.00 0.21 C ATOM 808 O ASP A 55 12.273 -0.043 5.455 1.00 0.44 O ATOM 809 CB ASP A 55 12.003 -2.866 6.354 1.00 0.60 C ATOM 810 CG ASP A 55 13.341 -2.364 6.878 1.00 1.22 C ATOM 811 OD1 ASP A 55 13.487 -2.156 8.105 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.262 -2.128 6.048 1.00 1.99 O ATOM 0 H ASP A 55 8.790 -2.027 6.679 1.00 0.23 H new ATOM 0 HA ASP A 55 10.807 -1.357 7.332 1.00 0.30 H new ATOM 0 HB2 ASP A 55 11.678 -3.706 6.969 1.00 0.60 H new ATOM 0 HB3 ASP A 55 12.143 -3.247 5.342 1.00 0.60 H new ATOM 817 N VAL A 56 10.327 -0.364 4.437 1.00 0.17 N ATOM 818 CA VAL A 56 10.564 0.728 3.529 1.00 0.21 C ATOM 819 C VAL A 56 10.175 2.030 4.261 1.00 0.20 C ATOM 820 O VAL A 56 9.728 1.967 5.410 1.00 0.21 O ATOM 821 CB VAL A 56 9.733 0.529 2.223 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.259 0.601 2.485 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.122 1.473 1.124 1.00 0.37 C ATOM 0 H VAL A 56 9.445 -0.857 4.300 1.00 0.17 H new ATOM 0 HA VAL A 56 11.612 0.775 3.233 1.00 0.21 H new ATOM 0 HB VAL A 56 9.972 -0.476 1.875 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.716 0.458 1.551 1.00 0.29 H new ATOM 0 HG12 VAL A 56 7.977 -0.179 3.192 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.011 1.577 2.903 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.506 1.282 0.245 1.00 0.37 H new ATOM 0 HG22 VAL A 56 9.971 2.500 1.456 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.172 1.324 0.871 1.00 0.37 H new ATOM 833 N LYS A 57 10.361 3.161 3.665 1.00 0.25 N ATOM 834 CA LYS A 57 9.894 4.373 4.253 1.00 0.25 C ATOM 835 C LYS A 57 9.199 5.171 3.177 1.00 0.22 C ATOM 836 O LYS A 57 9.787 5.441 2.122 1.00 0.28 O ATOM 837 CB LYS A 57 11.043 5.168 4.888 1.00 0.33 C ATOM 838 CG LYS A 57 10.565 6.133 5.952 1.00 0.44 C ATOM 839 CD LYS A 57 9.928 5.353 7.088 1.00 0.89 C ATOM 840 CE LYS A 57 9.209 6.236 8.070 1.00 1.46 C ATOM 841 NZ LYS A 57 8.426 5.425 9.021 1.00 2.12 N ATOM 0 H LYS A 57 10.835 3.272 2.768 1.00 0.25 H new ATOM 0 HA LYS A 57 9.196 4.150 5.060 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.760 4.475 5.327 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.570 5.722 4.111 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.401 6.724 6.326 1.00 0.44 H new ATOM 0 HG3 LYS A 57 9.845 6.833 5.528 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.226 4.628 6.676 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.699 4.788 7.612 1.00 0.89 H new ATOM 0 HE2 LYS A 57 9.930 6.848 8.613 1.00 1.46 H new ATOM 0 HE3 LYS A 57 8.548 6.920 7.537 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 7.819 6.048 9.591 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 7.833 4.751 8.496 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 9.072 4.904 9.647 1.00 2.12 H new ATOM 855 N ILE A 58 7.957 5.524 3.412 1.00 0.20 N ATOM 856 CA ILE A 58 7.173 6.190 2.403 1.00 0.19 C ATOM 857 C ILE A 58 6.716 7.562 2.904 1.00 0.21 C ATOM 858 O ILE A 58 5.799 7.658 3.725 1.00 0.25 O ATOM 859 CB ILE A 58 5.921 5.355 1.987 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.319 3.910 1.639 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.246 6.005 0.781 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.153 3.005 1.300 1.00 0.24 C ATOM 0 H ILE A 58 7.469 5.361 4.293 1.00 0.20 H new ATOM 0 HA ILE A 58 7.813 6.306 1.528 1.00 0.19 H new ATOM 0 HB ILE A 58 5.227 5.331 2.827 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.006 3.929 0.793 1.00 0.22 H new ATOM 0 HG13 ILE A 58 6.862 3.482 2.482 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.373 5.420 0.493 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.935 7.017 1.040 1.00 0.20 H new ATOM 0 HG23 ILE A 58 5.948 6.043 -0.052 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.523 2.006 1.068 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.474 2.952 2.151 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.621 3.405 0.437 1.00 0.24 H new ATOM 874 N PRO A 59 7.365 8.633 2.451 1.00 0.23 N ATOM 875 CA PRO A 59 6.991 10.010 2.811 1.00 0.28 C ATOM 876 C PRO A 59 5.681 10.386 2.165 1.00 0.24 C ATOM 877 O PRO A 59 5.308 9.784 1.149 1.00 0.21 O ATOM 878 CB PRO A 59 8.096 10.836 2.171 1.00 0.33 C ATOM 879 CG PRO A 59 8.527 10.011 1.027 1.00 0.30 C ATOM 880 CD PRO A 59 8.511 8.610 1.532 1.00 0.25 C ATOM 0 HA PRO A 59 6.881 10.151 3.886 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.732 11.811 1.848 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.916 11.017 2.866 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.854 10.132 0.178 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.523 10.297 0.688 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.375 7.887 0.727 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.438 8.349 2.042 1.00 0.25 H new ATOM 888 N ASP A 60 5.010 11.390 2.723 1.00 0.30 N ATOM 889 CA ASP A 60 3.723 11.926 2.199 1.00 0.34 C ATOM 890 C ASP A 60 3.804 12.131 0.690 1.00 0.31 C ATOM 891 O ASP A 60 2.900 11.753 -0.052 1.00 0.36 O ATOM 892 CB ASP A 60 3.402 13.263 2.889 1.00 0.51 C ATOM 893 CG ASP A 60 2.143 13.948 2.372 1.00 1.25 C ATOM 894 OD1 ASP A 60 2.213 14.672 1.365 1.00 1.92 O ATOM 895 OD2 ASP A 60 1.049 13.727 2.931 1.00 1.98 O ATOM 0 H ASP A 60 5.335 11.871 3.562 1.00 0.30 H new ATOM 0 HA ASP A 60 2.931 11.207 2.410 1.00 0.34 H new ATOM 0 HB2 ASP A 60 3.294 13.089 3.960 1.00 0.51 H new ATOM 0 HB3 ASP A 60 4.248 13.938 2.760 1.00 0.51 H new ATOM 900 N ASP A 61 4.939 12.667 0.272 1.00 0.30 N ATOM 901 CA ASP A 61 5.281 12.934 -1.128 1.00 0.37 C ATOM 902 C ASP A 61 5.142 11.703 -2.012 1.00 0.33 C ATOM 903 O ASP A 61 4.599 11.778 -3.096 1.00 0.46 O ATOM 904 CB ASP A 61 6.710 13.457 -1.210 1.00 0.50 C ATOM 905 CG ASP A 61 7.159 13.749 -2.634 1.00 1.16 C ATOM 906 OD1 ASP A 61 6.636 14.695 -3.258 1.00 1.16 O ATOM 907 OD2 ASP A 61 8.067 13.052 -3.139 1.00 2.06 O ATOM 0 H ASP A 61 5.680 12.941 0.918 1.00 0.30 H new ATOM 0 HA ASP A 61 4.576 13.679 -1.497 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.792 14.367 -0.616 1.00 0.50 H new ATOM 0 HB3 ASP A 61 7.384 12.725 -0.766 1.00 0.50 H new ATOM 912 N ASP A 62 5.627 10.580 -1.548 1.00 0.25 N ATOM 913 CA ASP A 62 5.538 9.356 -2.332 1.00 0.25 C ATOM 914 C ASP A 62 4.226 8.638 -2.098 1.00 0.23 C ATOM 915 O ASP A 62 3.723 7.952 -2.991 1.00 0.28 O ATOM 916 CB ASP A 62 6.719 8.420 -2.107 1.00 0.26 C ATOM 917 CG ASP A 62 8.021 8.939 -2.688 1.00 0.36 C ATOM 918 OD1 ASP A 62 8.109 9.120 -3.916 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.947 9.254 -1.926 1.00 0.44 O ATOM 0 H ASP A 62 6.085 10.478 -0.642 1.00 0.25 H new ATOM 0 HA ASP A 62 5.576 9.664 -3.377 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.846 8.259 -1.036 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.493 7.450 -2.550 1.00 0.26 H new ATOM 924 N VAL A 63 3.674 8.796 -0.890 1.00 0.22 N ATOM 925 CA VAL A 63 2.355 8.240 -0.521 1.00 0.26 C ATOM 926 C VAL A 63 1.334 8.644 -1.582 1.00 0.29 C ATOM 927 O VAL A 63 0.644 7.806 -2.157 1.00 0.38 O ATOM 928 CB VAL A 63 1.879 8.805 0.869 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.461 8.397 1.185 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.783 8.358 1.995 1.00 0.27 C ATOM 0 H VAL A 63 4.125 9.313 -0.135 1.00 0.22 H new ATOM 0 HA VAL A 63 2.440 7.155 -0.454 1.00 0.26 H new ATOM 0 HB VAL A 63 1.925 9.891 0.785 1.00 0.27 H new ATOM 0 HG11 VAL A 63 0.171 8.807 2.152 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.208 8.779 0.414 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.394 7.310 1.217 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.421 8.769 2.937 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.784 7.269 2.050 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.797 8.713 1.810 1.00 0.27 H new ATOM 940 N LYS A 64 1.304 9.925 -1.857 1.00 0.27 N ATOM 941 CA LYS A 64 0.369 10.521 -2.813 1.00 0.34 C ATOM 942 C LYS A 64 0.648 10.147 -4.289 1.00 0.32 C ATOM 943 O LYS A 64 -0.123 10.519 -5.180 1.00 0.38 O ATOM 944 CB LYS A 64 0.346 12.039 -2.640 1.00 0.44 C ATOM 945 CG LYS A 64 1.716 12.672 -2.760 1.00 0.83 C ATOM 946 CD LYS A 64 1.701 14.161 -2.506 1.00 0.73 C ATOM 947 CE LYS A 64 0.993 14.907 -3.612 1.00 1.59 C ATOM 948 NZ LYS A 64 0.964 16.353 -3.363 1.00 2.16 N ATOM 0 H LYS A 64 1.932 10.602 -1.424 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.611 10.101 -2.585 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -0.315 12.474 -3.389 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.075 12.281 -1.664 1.00 0.44 H new ATOM 0 HG2 LYS A 64 2.394 12.195 -2.052 1.00 0.83 H new ATOM 0 HG3 LYS A 64 2.112 12.483 -3.758 1.00 0.83 H new ATOM 0 HD2 LYS A 64 1.207 14.364 -1.556 1.00 0.73 H new ATOM 0 HD3 LYS A 64 2.724 14.526 -2.417 1.00 0.73 H new ATOM 0 HE2 LYS A 64 1.493 14.712 -4.560 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -0.027 14.534 -3.707 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 0.470 16.830 -4.144 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 0.464 16.542 -2.471 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 1.937 16.714 -3.298 1.00 2.16 H new ATOM 962 N ASN A 65 1.717 9.421 -4.553 1.00 0.26 N ATOM 963 CA ASN A 65 2.056 9.026 -5.898 1.00 0.29 C ATOM 964 C ASN A 65 1.616 7.620 -6.119 1.00 0.28 C ATOM 965 O ASN A 65 1.383 7.183 -7.251 1.00 0.42 O ATOM 966 CB ASN A 65 3.543 9.090 -6.120 1.00 0.36 C ATOM 967 CG ASN A 65 4.125 10.487 -6.038 1.00 0.90 C ATOM 968 OD1 ASN A 65 3.440 11.487 -6.311 1.00 1.59 O ATOM 969 ND2 ASN A 65 5.398 10.571 -5.732 1.00 1.43 N ATOM 0 H ASN A 65 2.370 9.092 -3.842 1.00 0.26 H new ATOM 0 HA ASN A 65 1.559 9.707 -6.589 1.00 0.29 H new ATOM 0 HB2 ASN A 65 4.037 8.459 -5.381 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.771 8.671 -7.100 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.859 11.481 -5.712 1.00 1.43 H new ATOM 0 HD22 ASN A 65 5.927 9.727 -5.514 1.00 1.43 H new ATOM 976 N LEU A 66 1.496 6.900 -5.040 1.00 0.21 N ATOM 977 CA LEU A 66 1.081 5.574 -5.095 1.00 0.23 C ATOM 978 C LEU A 66 -0.410 5.613 -5.170 1.00 0.25 C ATOM 979 O LEU A 66 -1.057 6.408 -4.484 1.00 0.31 O ATOM 980 CB LEU A 66 1.528 4.777 -3.838 1.00 0.22 C ATOM 981 CG LEU A 66 3.027 4.804 -3.463 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.321 3.827 -2.317 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.908 4.509 -4.667 1.00 0.23 C ATOM 0 H LEU A 66 1.691 7.243 -4.100 1.00 0.21 H new ATOM 0 HA LEU A 66 1.525 5.071 -5.954 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.963 5.152 -2.985 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.237 3.736 -3.980 1.00 0.22 H new ATOM 0 HG LEU A 66 3.263 5.812 -3.121 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.382 3.864 -2.071 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.735 4.107 -1.441 1.00 0.22 H new ATOM 0 HD13 LEU A 66 3.055 2.816 -2.624 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.955 4.536 -4.367 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.669 3.521 -5.060 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.732 5.258 -5.439 1.00 0.23 H new ATOM 995 N LYS A 67 -0.942 4.866 -6.033 1.00 0.28 N ATOM 996 CA LYS A 67 -2.365 4.753 -6.098 1.00 0.34 C ATOM 997 C LYS A 67 -2.765 3.324 -6.025 1.00 0.30 C ATOM 998 O LYS A 67 -3.725 2.985 -5.370 1.00 0.38 O ATOM 999 CB LYS A 67 -3.038 5.492 -7.297 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.589 5.119 -8.716 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.243 5.727 -9.082 1.00 1.26 C ATOM 1002 CE LYS A 67 -0.862 5.423 -10.528 1.00 1.83 C ATOM 1003 NZ LYS A 67 -1.868 5.922 -11.494 1.00 2.55 N ATOM 0 H LYS A 67 -0.430 4.311 -6.719 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.748 5.283 -5.226 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -4.113 5.324 -7.232 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -2.874 6.561 -7.165 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -2.529 4.034 -8.801 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -3.341 5.453 -9.431 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -1.279 6.806 -8.934 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.474 5.339 -8.414 1.00 1.26 H new ATOM 0 HE2 LYS A 67 0.105 5.875 -10.749 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -0.746 4.346 -10.652 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 -1.454 5.941 -12.448 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 -2.696 5.293 -11.488 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -2.161 6.883 -11.225 1.00 2.55 H new ATOM 1017 N THR A 68 -1.998 2.464 -6.657 1.00 0.23 N ATOM 1018 CA THR A 68 -2.318 1.102 -6.628 1.00 0.19 C ATOM 1019 C THR A 68 -1.353 0.355 -5.745 1.00 0.18 C ATOM 1020 O THR A 68 -0.399 0.927 -5.204 1.00 0.20 O ATOM 1021 CB THR A 68 -2.326 0.449 -8.035 1.00 0.18 C ATOM 1022 OG1 THR A 68 -0.990 0.330 -8.535 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.153 1.274 -9.016 1.00 0.22 C ATOM 0 H THR A 68 -1.160 2.706 -7.186 1.00 0.23 H new ATOM 0 HA THR A 68 -3.330 1.036 -6.228 1.00 0.19 H new ATOM 0 HB THR A 68 -2.772 -0.541 -7.939 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.610 1.223 -8.670 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.142 0.794 -9.995 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.180 1.344 -8.657 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.729 2.275 -9.098 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.559 -0.928 -5.663 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.713 -1.807 -4.921 1.00 0.18 C ATOM 1033 C VAL A 69 0.438 -2.141 -5.802 1.00 0.15 C ATOM 1034 O VAL A 69 1.494 -2.526 -5.338 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.432 -3.114 -4.528 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -0.626 -3.919 -3.513 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -2.832 -2.832 -4.036 1.00 1.21 C ATOM 0 H VAL A 69 -2.339 -1.399 -6.122 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.406 -1.316 -3.998 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.514 -3.730 -5.424 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -1.166 -4.832 -3.262 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.343 -4.176 -3.940 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.479 -3.325 -2.611 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -3.318 -3.769 -3.765 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -2.787 -2.181 -3.163 1.00 1.21 H new ATOM 0 HG23 VAL A 69 -3.403 -2.342 -4.825 1.00 1.21 H new ATOM 1047 N GLY A 70 0.234 -1.931 -7.100 1.00 0.14 N ATOM 1048 CA GLY A 70 1.305 -2.156 -8.044 1.00 0.16 C ATOM 1049 C GLY A 70 2.344 -1.115 -7.810 1.00 0.19 C ATOM 1050 O GLY A 70 3.508 -1.406 -7.633 1.00 0.33 O ATOM 0 H GLY A 70 -0.645 -1.613 -7.508 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.727 -3.153 -7.913 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.931 -2.100 -9.066 1.00 0.16 H new ATOM 1054 N ASP A 71 1.861 0.092 -7.707 1.00 0.17 N ATOM 1055 CA ASP A 71 2.634 1.255 -7.397 1.00 0.20 C ATOM 1056 C ASP A 71 3.311 1.096 -6.068 1.00 0.17 C ATOM 1057 O ASP A 71 4.537 1.208 -5.976 1.00 0.20 O ATOM 1058 CB ASP A 71 1.688 2.432 -7.303 1.00 0.32 C ATOM 1059 CG ASP A 71 1.154 2.925 -8.599 1.00 0.87 C ATOM 1060 OD1 ASP A 71 1.890 3.561 -9.360 1.00 1.28 O ATOM 1061 OD2 ASP A 71 -0.038 2.687 -8.868 1.00 1.39 O ATOM 0 H ASP A 71 0.871 0.297 -7.844 1.00 0.17 H new ATOM 0 HA ASP A 71 3.388 1.404 -8.170 1.00 0.20 H new ATOM 0 HB2 ASP A 71 0.849 2.152 -6.666 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.205 3.253 -6.806 1.00 0.32 H new ATOM 1066 N ALA A 72 2.496 0.827 -5.045 1.00 0.15 N ATOM 1067 CA ALA A 72 2.960 0.702 -3.675 1.00 0.13 C ATOM 1068 C ALA A 72 4.059 -0.278 -3.557 1.00 0.12 C ATOM 1069 O ALA A 72 5.166 0.074 -3.224 1.00 0.14 O ATOM 1070 CB ALA A 72 1.822 0.237 -2.783 1.00 0.13 C ATOM 0 H ALA A 72 1.491 0.690 -5.152 1.00 0.15 H new ATOM 0 HA ALA A 72 3.321 1.684 -3.368 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.178 0.146 -1.757 1.00 0.13 H new ATOM 0 HB2 ALA A 72 1.009 0.962 -2.822 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.461 -0.731 -3.129 1.00 0.13 H new ATOM 1076 N THR A 73 3.761 -1.474 -3.907 1.00 0.11 N ATOM 1077 CA THR A 73 4.649 -2.568 -3.748 1.00 0.13 C ATOM 1078 C THR A 73 5.979 -2.390 -4.480 1.00 0.16 C ATOM 1079 O THR A 73 7.043 -2.708 -3.924 1.00 0.24 O ATOM 1080 CB THR A 73 3.974 -3.844 -4.169 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.742 -3.965 -3.454 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.845 -5.000 -3.847 1.00 0.17 C ATOM 0 H THR A 73 2.866 -1.728 -4.325 1.00 0.11 H new ATOM 0 HA THR A 73 4.899 -2.616 -2.688 1.00 0.13 H new ATOM 0 HB THR A 73 3.786 -3.827 -5.243 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.069 -3.380 -3.860 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.353 -5.923 -4.153 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.792 -4.901 -4.377 1.00 0.17 H new ATOM 0 HG23 THR A 73 5.031 -5.027 -2.773 1.00 0.17 H new ATOM 1090 N LYS A 74 5.916 -1.880 -5.694 1.00 0.17 N ATOM 1091 CA LYS A 74 7.080 -1.637 -6.474 1.00 0.20 C ATOM 1092 C LYS A 74 7.939 -0.651 -5.756 1.00 0.23 C ATOM 1093 O LYS A 74 9.100 -0.903 -5.531 1.00 0.45 O ATOM 1094 CB LYS A 74 6.686 -1.093 -7.823 1.00 0.25 C ATOM 1095 CG LYS A 74 6.619 -2.117 -8.964 1.00 0.98 C ATOM 1096 CD LYS A 74 5.646 -3.254 -8.705 1.00 2.21 C ATOM 1097 CE LYS A 74 5.554 -4.188 -9.901 1.00 2.92 C ATOM 1098 NZ LYS A 74 5.009 -3.521 -11.111 1.00 3.63 N ATOM 0 H LYS A 74 5.043 -1.626 -6.156 1.00 0.17 H new ATOM 0 HA LYS A 74 7.630 -2.566 -6.621 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.710 -0.616 -7.730 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.396 -0.314 -8.101 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.331 -1.606 -9.883 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.614 -2.531 -9.128 1.00 0.98 H new ATOM 0 HD2 LYS A 74 5.965 -3.815 -7.827 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.660 -2.847 -8.482 1.00 2.21 H new ATOM 0 HE2 LYS A 74 6.545 -4.583 -10.125 1.00 2.92 H new ATOM 0 HE3 LYS A 74 4.922 -5.038 -9.645 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 4.730 -4.241 -11.808 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 4.178 -2.952 -10.850 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 5.736 -2.902 -11.524 1.00 3.63 H new ATOM 1112 N TYR A 75 7.308 0.423 -5.319 1.00 0.16 N ATOM 1113 CA TYR A 75 7.960 1.481 -4.594 1.00 0.16 C ATOM 1114 C TYR A 75 8.616 0.948 -3.348 1.00 0.16 C ATOM 1115 O TYR A 75 9.790 1.205 -3.093 1.00 0.19 O ATOM 1116 CB TYR A 75 6.948 2.537 -4.182 1.00 0.16 C ATOM 1117 CG TYR A 75 7.587 3.666 -3.405 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.384 4.614 -4.025 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.432 3.738 -2.033 1.00 0.21 C ATOM 1120 CE1 TYR A 75 9.009 5.598 -3.291 1.00 0.32 C ATOM 1121 CE2 TYR A 75 8.039 4.717 -1.301 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.831 5.644 -1.926 1.00 0.28 C ATOM 1123 OH TYR A 75 9.469 6.615 -1.176 1.00 0.40 O ATOM 0 H TYR A 75 6.311 0.581 -5.464 1.00 0.16 H new ATOM 0 HA TYR A 75 8.714 1.916 -5.250 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.462 2.939 -5.071 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.170 2.075 -3.575 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.517 4.581 -5.096 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.818 3.005 -1.531 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.634 6.328 -3.783 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.895 4.761 -0.231 1.00 0.26 H new ATOM 0 HH TYR A 75 9.763 7.342 -1.764 1.00 0.40 H new ATOM 1133 N ILE A 76 7.831 0.228 -2.585 1.00 0.14 N ATOM 1134 CA ILE A 76 8.228 -0.327 -1.326 1.00 0.16 C ATOM 1135 C ILE A 76 9.475 -1.171 -1.474 1.00 0.17 C ATOM 1136 O ILE A 76 10.490 -0.767 -1.035 1.00 0.21 O ATOM 1137 CB ILE A 76 7.059 -1.146 -0.742 1.00 0.15 C ATOM 1138 CG1 ILE A 76 5.936 -0.208 -0.359 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.485 -1.950 0.470 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.631 -0.903 -0.181 1.00 0.13 C ATOM 0 H ILE A 76 6.867 0.008 -2.837 1.00 0.14 H new ATOM 0 HA ILE A 76 8.471 0.481 -0.636 1.00 0.16 H new ATOM 0 HB ILE A 76 6.723 -1.848 -1.505 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.198 0.304 0.567 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.832 0.558 -1.128 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.633 -2.513 0.851 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.279 -2.641 0.187 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.850 -1.275 1.244 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.866 -0.176 0.093 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.349 -1.392 -1.113 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.721 -1.650 0.608 1.00 0.13 H new ATOM 1152 N LEU A 77 9.383 -2.280 -2.172 1.00 0.17 N ATOM 1153 CA LEU A 77 10.458 -3.250 -2.373 1.00 0.20 C ATOM 1154 C LEU A 77 11.695 -2.532 -2.883 1.00 0.22 C ATOM 1155 O LEU A 77 12.810 -2.712 -2.375 1.00 0.29 O ATOM 1156 CB LEU A 77 9.952 -4.216 -3.463 1.00 0.23 C ATOM 1157 CG LEU A 77 10.675 -5.537 -3.790 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.928 -6.172 -4.930 1.00 1.08 C ATOM 1159 CD2 LEU A 77 12.138 -5.360 -4.189 1.00 1.44 C ATOM 0 H LEU A 77 8.519 -2.552 -2.641 1.00 0.17 H new ATOM 0 HA LEU A 77 10.712 -3.770 -1.449 1.00 0.20 H new ATOM 0 HB2 LEU A 77 8.927 -4.477 -3.199 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.907 -3.646 -4.391 1.00 0.23 H new ATOM 0 HG LEU A 77 10.684 -6.151 -2.890 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.406 -7.115 -5.198 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.897 -6.360 -4.630 1.00 1.08 H new ATOM 0 HD13 LEU A 77 9.939 -5.502 -5.790 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.577 -6.334 -4.403 1.00 1.44 H new ATOM 0 HD22 LEU A 77 12.199 -4.731 -5.077 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.683 -4.888 -3.372 1.00 1.44 H new ATOM 1171 N ASP A 78 11.459 -1.673 -3.837 1.00 0.22 N ATOM 1172 CA ASP A 78 12.504 -0.999 -4.558 1.00 0.29 C ATOM 1173 C ASP A 78 13.204 0.037 -3.688 1.00 0.30 C ATOM 1174 O ASP A 78 14.350 0.389 -3.924 1.00 0.36 O ATOM 1175 CB ASP A 78 11.933 -0.420 -5.866 1.00 0.45 C ATOM 1176 CG ASP A 78 12.907 0.388 -6.667 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.806 -0.214 -7.297 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.802 1.626 -6.695 1.00 0.59 O ATOM 0 H ASP A 78 10.519 -1.418 -4.140 1.00 0.22 H new ATOM 0 HA ASP A 78 13.281 -1.714 -4.830 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.568 -1.241 -6.483 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.073 0.205 -5.626 1.00 0.45 H new ATOM 1183 N HIS A 79 12.503 0.516 -2.692 1.00 0.29 N ATOM 1184 CA HIS A 79 13.062 1.429 -1.719 1.00 0.36 C ATOM 1185 C HIS A 79 13.388 0.770 -0.365 1.00 0.42 C ATOM 1186 O HIS A 79 13.988 1.416 0.489 1.00 0.58 O ATOM 1187 CB HIS A 79 12.187 2.670 -1.528 1.00 0.38 C ATOM 1188 CG HIS A 79 12.337 3.702 -2.606 1.00 0.61 C ATOM 1189 ND1 HIS A 79 12.780 4.979 -2.362 1.00 0.99 N ATOM 1190 CD2 HIS A 79 12.082 3.649 -3.931 1.00 0.87 C ATOM 1191 CE1 HIS A 79 12.795 5.664 -3.483 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.376 4.882 -4.454 1.00 1.18 N ATOM 0 H HIS A 79 11.523 0.284 -2.530 1.00 0.29 H new ATOM 0 HA HIS A 79 14.015 1.746 -2.142 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.143 2.360 -1.480 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.428 3.126 -0.568 1.00 0.38 H new ATOM 0 HD2 HIS A 79 11.714 2.793 -4.478 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.100 6.695 -3.589 1.00 1.25 H new ATOM 0 HE2 HIS A 79 12.285 5.149 -5.434 1.00 1.18 H new ATOM 1201 N GLN A 80 12.969 -0.495 -0.143 1.00 0.39 N ATOM 1202 CA GLN A 80 13.243 -1.165 1.137 1.00 0.49 C ATOM 1203 C GLN A 80 14.666 -1.419 1.237 1.00 0.58 C ATOM 1204 O GLN A 80 15.385 -0.882 2.084 1.00 0.83 O ATOM 1205 CB GLN A 80 12.612 -2.531 1.240 1.00 0.67 C ATOM 1206 CG GLN A 80 11.160 -2.619 1.097 1.00 0.52 C ATOM 1207 CD GLN A 80 10.712 -4.054 1.041 1.00 0.57 C ATOM 1208 OE1 GLN A 80 11.432 -4.929 0.605 1.00 0.87 O ATOM 1209 NE2 GLN A 80 9.530 -4.283 1.421 1.00 0.56 N ATOM 0 H GLN A 80 12.452 -1.058 -0.819 1.00 0.39 H new ATOM 0 HA GLN A 80 12.846 -0.506 1.909 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.064 -3.168 0.479 1.00 0.67 H new ATOM 0 HB3 GLN A 80 12.880 -2.953 2.209 1.00 0.67 H new ATOM 0 HG2 GLN A 80 10.677 -2.115 1.934 1.00 0.52 H new ATOM 0 HG3 GLN A 80 10.848 -2.101 0.190 1.00 0.52 H new ATOM 0 HE21 GLN A 80 8.954 -3.523 1.782 1.00 0.56 H new ATOM 0 HE22 GLN A 80 9.151 -5.228 1.367 1.00 0.56 H new ATOM 1218 N ALA A 81 15.050 -2.243 0.369 1.00 0.71 N ATOM 1219 CA ALA A 81 16.379 -2.724 0.329 1.00 1.01 C ATOM 1220 C ALA A 81 17.024 -2.364 -0.980 1.00 1.44 C ATOM 1221 O ALA A 81 16.934 -3.158 -1.933 1.00 1.97 O ATOM 1222 CB ALA A 81 16.404 -4.226 0.580 1.00 1.30 C ATOM 1223 OXT ALA A 81 17.615 -1.275 -1.075 1.00 1.97 O ATOM 0 H ALA A 81 14.445 -2.622 -0.360 1.00 0.71 H new ATOM 0 HA ALA A 81 16.957 -2.249 1.122 1.00 1.01 H new ATOM 0 HB1 ALA A 81 17.433 -4.583 0.546 1.00 1.30 H new ATOM 0 HB2 ALA A 81 15.978 -4.438 1.561 1.00 1.30 H new ATOM 0 HB3 ALA A 81 15.819 -4.733 -0.187 1.00 1.30 H new TER 1229 ALA A 81 HETATM 1230 C1 SYO A 101 -2.818 6.759 -0.236 1.00 0.56 C HETATM 1231 S1 SYO A 101 -3.427 8.396 0.269 1.00 0.76 S HETATM 1232 C2 SYO A 101 -2.901 6.468 -1.719 1.00 0.69 C HETATM 1233 C3 SYO A 101 -2.809 4.981 -2.012 1.00 0.54 C HETATM 1234 O3 SYO A 101 -3.830 4.307 -2.176 1.00 0.86 O HETATM 1235 C4 SYO A 101 -1.452 4.335 -2.028 1.00 0.47 C HETATM 1236 C5 SYO A 101 -1.311 3.277 -0.958 1.00 0.58 C HETATM 1237 C6 SYO A 101 0.133 2.899 -0.750 1.00 0.57 C HETATM 1238 C7 SYO A 101 0.273 1.846 0.326 1.00 0.49 C HETATM 1239 C8 SYO A 101 1.732 1.549 0.540 1.00 0.47 C HETATM 1240 O23 SYO A 101 -10.763 11.162 1.001 1.00 1.37 O HETATM 1241 P24 SYO A 101 -9.361 11.269 0.526 1.00 0.96 P HETATM 1242 O26 SYO A 101 -8.378 11.985 1.358 1.00 1.27 O HETATM 1243 O27 SYO A 101 -9.369 11.882 -0.881 1.00 1.04 O HETATM 1244 C28 SYO A 101 -8.091 11.895 -1.596 1.00 0.84 C HETATM 1245 C29 SYO A 101 -8.275 12.317 -3.053 1.00 0.82 C HETATM 1246 C30 SYO A 101 -9.189 13.498 -3.041 1.00 1.03 C HETATM 1247 C31 SYO A 101 -6.919 12.707 -3.660 1.00 0.73 C HETATM 1248 C32 SYO A 101 -8.948 11.147 -3.908 1.00 0.93 C HETATM 1249 O33 SYO A 101 -9.524 11.648 -5.123 1.00 1.10 O HETATM 1250 C34 SYO A 101 -7.984 10.025 -4.266 1.00 0.83 C HETATM 1251 O35 SYO A 101 -7.857 9.695 -5.444 1.00 0.96 O HETATM 1252 N36 SYO A 101 -7.328 9.468 -3.295 1.00 0.71 N HETATM 1253 C37 SYO A 101 -6.355 8.371 -3.449 1.00 0.70 C HETATM 1254 C38 SYO A 101 -5.125 8.754 -4.304 1.00 0.66 C HETATM 1255 C39 SYO A 101 -4.175 9.751 -3.672 1.00 0.47 C HETATM 1256 O40 SYO A 101 -3.671 10.681 -4.324 1.00 0.53 O HETATM 1257 N41 SYO A 101 -3.940 9.551 -2.415 1.00 0.38 N HETATM 1258 C42 SYO A 101 -3.077 10.360 -1.607 1.00 0.43 C HETATM 1259 C43 SYO A 101 -2.335 9.512 -0.615 1.00 0.71 C HETATM 0 HO33 SYO A 101 -9.194 11.123 -5.882 1.00 1.10 H new HETATM 0 HN41 SYO A 101 -4.403 8.760 -1.967 1.00 0.38 H new HETATM 0 HN36 SYO A 101 -7.499 9.816 -2.352 1.00 0.71 H new HETATM 0 H43A SYO A 101 -1.820 10.156 0.098 1.00 0.71 H new HETATM 0 H42A SYO A 101 -2.368 10.891 -2.242 1.00 0.43 H new HETATM 0 H38A SYO A 101 -4.569 7.846 -4.536 1.00 0.66 H new HETATM 0 H37A SYO A 101 -6.017 8.054 -2.462 1.00 0.70 H new HETATM 0 H31B SYO A 101 -6.493 13.537 -3.097 1.00 0.73 H new HETATM 0 H31A SYO A 101 -6.242 11.854 -3.616 1.00 0.73 H new HETATM 0 H30B SYO A 101 -10.142 13.216 -2.594 1.00 1.03 H new HETATM 0 H30A SYO A 101 -8.738 14.301 -2.457 1.00 1.03 H new HETATM 0 H28A SYO A 101 -7.402 12.579 -1.101 1.00 0.84 H new HETATM 0 H8B SYO A 101 2.169 1.183 -0.389 1.00 0.47 H new HETATM 0 H8A SYO A 101 2.247 2.459 0.849 1.00 0.47 H new HETATM 0 H8 SYO A 101 1.839 0.790 1.315 1.00 0.47 H new HETATM 0 H7A SYO A 101 -0.179 2.195 1.254 1.00 0.49 H new HETATM 0 H7 SYO A 101 -0.256 0.939 0.035 1.00 0.49 H new HETATM 0 H6A SYO A 101 0.552 2.526 -1.684 1.00 0.57 H new HETATM 0 H6 SYO A 101 0.707 3.783 -0.474 1.00 0.57 H new HETATM 0 H5A SYO A 101 -1.732 3.645 -0.022 1.00 0.58 H new HETATM 0 H5 SYO A 101 -1.884 2.393 -1.239 1.00 0.58 H new HETATM 0 H4A SYO A 101 -1.277 3.886 -3.006 1.00 0.47 H new HETATM 0 H43 SYO A 101 -1.569 8.935 -1.133 1.00 0.71 H new HETATM 0 H42 SYO A 101 -3.663 11.115 -1.082 1.00 0.43 H new HETATM 0 H4 SYO A 101 -0.687 5.098 -1.885 1.00 0.47 H new HETATM 0 H38 SYO A 101 -5.476 9.164 -5.251 1.00 0.66 H new HETATM 0 H37 SYO A 101 -6.853 7.516 -3.905 1.00 0.70 H new HETATM 0 H32 SYO A 101 -9.723 10.739 -3.259 1.00 0.93 H new HETATM 0 H31 SYO A 101 -7.058 13.007 -4.699 1.00 0.73 H new HETATM 0 H30 SYO A 101 -9.354 13.841 -4.062 1.00 1.03 H new HETATM 0 H2A SYO A 101 -3.839 6.858 -2.113 1.00 0.69 H new HETATM 0 H28 SYO A 101 -7.639 10.904 -1.556 1.00 0.84 H new HETATM 0 H2 SYO A 101 -2.096 6.990 -2.237 1.00 0.69 H new HETATM 0 H1A SYO A 101 -1.779 6.663 0.079 1.00 0.56 H new HETATM 0 H1 SYO A 101 -3.385 5.997 0.299 1.00 0.56 H new