USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 31:sc= 0.197 USER MOD Set 1.2: A 16 GLN : amide:sc= -11.4! C(o=-11!,f=-20!) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.246 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.65 K(o=-2.6,f=-4.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.159 K(o=-0.16,f=-2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.613 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0652 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 151:sc= -0.176 (180deg=-0.846) USER MOD Single : A 47 MET CE :methyl 144:sc= -0.103 (180deg=-3.12) USER MOD Single : A 50 GLN : amide:sc= -0.815 K(o=-0.82,f=-1.6!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 53 THR OG1 : rot -92:sc= 0.183 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -48:sc= 0.708 USER MOD Single : A 71 THR OG1 : rot 26:sc= 0.567 USER MOD Single : A 80 MET CE :methyl 165:sc= -2.85! (180deg=-3.94!) USER MOD Single : A 81 MET CE :methyl -117:sc= -0.0563 (180deg=-2.77!) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.114 USER MOD Single : A 85 MET CE :methyl -146:sc= -2.86 (180deg=-5.05!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.737 2.531 3.741 1.00 0.90 N ATOM 45 CA ILE A 4 83.484 1.263 4.490 1.00 0.89 C ATOM 46 C ILE A 4 82.259 0.557 3.909 1.00 0.82 C ATOM 47 O ILE A 4 82.088 -0.637 4.056 1.00 0.85 O ATOM 48 CB ILE A 4 83.223 1.685 5.938 1.00 0.85 C ATOM 49 CG1 ILE A 4 81.842 2.340 6.040 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.295 2.682 6.380 1.00 0.75 C ATOM 51 CD1 ILE A 4 81.709 3.056 7.386 1.00 1.74 C ATOM 0 HA ILE A 4 84.323 0.571 4.422 1.00 0.89 H new ATOM 0 HB ILE A 4 83.256 0.807 6.583 1.00 0.85 H new ATOM 0 HG12 ILE A 4 81.704 3.050 5.224 1.00 1.02 H new ATOM 0 HG13 ILE A 4 81.062 1.585 5.940 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.109 2.983 7.411 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.277 2.215 6.309 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.263 3.560 5.735 1.00 0.75 H new ATOM 0 HD11 ILE A 4 80.726 3.521 7.455 1.00 1.74 H new ATOM 0 HD12 ILE A 4 81.827 2.335 8.195 1.00 1.74 H new ATOM 0 HD13 ILE A 4 82.479 3.823 7.468 1.00 1.74 H new ATOM 63 N TYR A 5 81.408 1.288 3.245 1.00 0.78 N ATOM 64 CA TYR A 5 80.194 0.662 2.648 1.00 0.78 C ATOM 65 C TYR A 5 80.585 -0.197 1.445 1.00 0.92 C ATOM 66 O TYR A 5 79.927 -1.166 1.121 1.00 0.99 O ATOM 67 CB TYR A 5 79.311 1.831 2.207 1.00 0.78 C ATOM 68 CG TYR A 5 79.151 2.811 3.346 1.00 0.92 C ATOM 69 CD1 TYR A 5 79.310 2.382 4.670 1.00 1.31 C ATOM 70 CD2 TYR A 5 78.840 4.149 3.078 1.00 1.77 C ATOM 71 CE1 TYR A 5 79.158 3.291 5.723 1.00 1.36 C ATOM 72 CE2 TYR A 5 78.688 5.058 4.131 1.00 2.00 C ATOM 73 CZ TYR A 5 78.847 4.629 5.454 1.00 1.35 C ATOM 74 OH TYR A 5 78.697 5.525 6.492 1.00 1.60 O ATOM 0 H TYR A 5 81.500 2.292 3.089 1.00 0.78 H new ATOM 0 HA TYR A 5 79.678 0.011 3.354 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.756 2.330 1.346 1.00 0.78 H new ATOM 0 HB3 TYR A 5 78.335 1.463 1.893 1.00 0.78 H new ATOM 0 HD1 TYR A 5 79.550 1.350 4.878 1.00 1.31 H new ATOM 0 HD2 TYR A 5 78.717 4.480 2.057 1.00 1.77 H new ATOM 0 HE1 TYR A 5 79.281 2.960 6.744 1.00 1.36 H new ATOM 0 HE2 TYR A 5 78.448 6.090 3.923 1.00 2.00 H new ATOM 0 HH TYR A 5 78.483 6.411 6.131 1.00 1.60 H new ATOM 84 N LYS A 6 81.655 0.146 0.781 1.00 1.02 N ATOM 85 CA LYS A 6 82.086 -0.659 -0.397 1.00 1.19 C ATOM 86 C LYS A 6 82.004 -2.148 -0.060 1.00 1.15 C ATOM 87 O LYS A 6 81.596 -2.957 -0.868 1.00 1.19 O ATOM 88 CB LYS A 6 83.534 -0.242 -0.654 1.00 1.38 C ATOM 89 CG LYS A 6 83.938 -0.652 -2.072 1.00 1.86 C ATOM 90 CD LYS A 6 83.349 0.339 -3.077 1.00 1.94 C ATOM 91 CE LYS A 6 82.933 -0.408 -4.348 1.00 2.16 C ATOM 92 NZ LYS A 6 82.083 0.557 -5.099 1.00 2.91 N ATOM 0 H LYS A 6 82.248 0.946 1.002 1.00 1.02 H new ATOM 0 HA LYS A 6 81.458 -0.492 -1.272 1.00 1.19 H new ATOM 0 HB2 LYS A 6 83.641 0.836 -0.531 1.00 1.38 H new ATOM 0 HB3 LYS A 6 84.194 -0.713 0.074 1.00 1.38 H new ATOM 0 HG2 LYS A 6 85.024 -0.673 -2.160 1.00 1.86 H new ATOM 0 HG3 LYS A 6 83.581 -1.659 -2.286 1.00 1.86 H new ATOM 0 HD2 LYS A 6 82.488 0.846 -2.642 1.00 1.94 H new ATOM 0 HD3 LYS A 6 84.083 1.108 -3.318 1.00 1.94 H new ATOM 0 HE2 LYS A 6 83.803 -0.707 -4.933 1.00 2.16 H new ATOM 0 HE3 LYS A 6 82.382 -1.317 -4.109 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 81.758 0.118 -5.984 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 81.260 0.818 -4.520 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 82.637 1.410 -5.318 1.00 2.91 H new ATOM 106 N ALA A 7 82.384 -2.512 1.133 1.00 1.13 N ATOM 107 CA ALA A 7 82.324 -3.946 1.532 1.00 1.14 C ATOM 108 C ALA A 7 80.868 -4.357 1.773 1.00 1.06 C ATOM 109 O ALA A 7 80.521 -5.519 1.703 1.00 1.10 O ATOM 110 CB ALA A 7 83.127 -4.029 2.830 1.00 1.20 C ATOM 0 H ALA A 7 82.734 -1.877 1.850 1.00 1.13 H new ATOM 0 HA ALA A 7 82.723 -4.610 0.766 1.00 1.14 H new ATOM 0 HB1 ALA A 7 83.131 -5.058 3.190 1.00 1.20 H new ATOM 0 HB2 ALA A 7 84.151 -3.705 2.645 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.672 -3.383 3.581 1.00 1.20 H new ATOM 116 N ALA A 8 80.015 -3.408 2.051 1.00 0.99 N ATOM 117 CA ALA A 8 78.582 -3.739 2.293 1.00 0.95 C ATOM 118 C ALA A 8 78.042 -4.600 1.148 1.00 0.95 C ATOM 119 O ALA A 8 77.521 -5.677 1.360 1.00 1.02 O ATOM 120 CB ALA A 8 77.865 -2.388 2.332 1.00 0.91 C ATOM 0 H ALA A 8 80.249 -2.418 2.121 1.00 0.99 H new ATOM 0 HA ALA A 8 78.436 -4.304 3.214 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.801 -2.546 2.507 1.00 0.91 H new ATOM 0 HB2 ALA A 8 78.279 -1.780 3.136 1.00 0.91 H new ATOM 0 HB3 ALA A 8 78.004 -1.875 1.381 1.00 0.91 H new ATOM 126 N VAL A 9 78.164 -4.134 -0.065 1.00 0.97 N ATOM 127 CA VAL A 9 77.662 -4.926 -1.222 1.00 1.07 C ATOM 128 C VAL A 9 78.598 -6.106 -1.495 1.00 1.16 C ATOM 129 O VAL A 9 78.172 -7.167 -1.908 1.00 1.18 O ATOM 130 CB VAL A 9 77.668 -3.954 -2.401 1.00 1.21 C ATOM 131 CG1 VAL A 9 77.221 -4.684 -3.669 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.706 -2.799 -2.113 1.00 1.49 C ATOM 0 H VAL A 9 78.590 -3.239 -0.304 1.00 0.97 H new ATOM 0 HA VAL A 9 76.670 -5.340 -1.042 1.00 1.07 H new ATOM 0 HB VAL A 9 78.676 -3.563 -2.544 1.00 1.21 H new ATOM 0 HG11 VAL A 9 77.226 -3.990 -4.509 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.905 -5.508 -3.875 1.00 1.89 H new ATOM 0 HG13 VAL A 9 76.214 -5.076 -3.527 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.709 -2.105 -2.953 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.699 -3.191 -1.970 1.00 1.49 H new ATOM 0 HG23 VAL A 9 77.024 -2.277 -1.210 1.00 1.49 H new ATOM 142 N GLU A 10 79.870 -5.931 -1.265 1.00 1.28 N ATOM 143 CA GLU A 10 80.831 -7.043 -1.508 1.00 1.44 C ATOM 144 C GLU A 10 80.390 -8.295 -0.747 1.00 1.41 C ATOM 145 O GLU A 10 80.676 -9.407 -1.144 1.00 1.54 O ATOM 146 CB GLU A 10 82.171 -6.532 -0.973 1.00 1.68 C ATOM 147 CG GLU A 10 83.262 -7.566 -1.259 1.00 2.16 C ATOM 148 CD GLU A 10 83.481 -8.434 -0.019 1.00 2.64 C ATOM 149 OE1 GLU A 10 82.590 -9.200 0.308 1.00 3.13 O ATOM 150 OE2 GLU A 10 84.536 -8.319 0.581 1.00 3.13 O ATOM 0 H GLU A 10 80.285 -5.066 -0.919 1.00 1.28 H new ATOM 0 HA GLU A 10 80.891 -7.316 -2.561 1.00 1.44 H new ATOM 0 HB2 GLU A 10 82.424 -5.581 -1.443 1.00 1.68 H new ATOM 0 HB3 GLU A 10 82.101 -6.349 0.099 1.00 1.68 H new ATOM 0 HG2 GLU A 10 82.974 -8.189 -2.106 1.00 2.16 H new ATOM 0 HG3 GLU A 10 84.190 -7.064 -1.533 1.00 2.16 H new ATOM 157 N GLN A 11 79.694 -8.123 0.343 1.00 1.37 N ATOM 158 CA GLN A 11 79.234 -9.304 1.129 1.00 1.43 C ATOM 159 C GLN A 11 77.866 -9.775 0.624 1.00 1.24 C ATOM 160 O GLN A 11 77.528 -10.939 0.716 1.00 1.31 O ATOM 161 CB GLN A 11 79.131 -8.807 2.571 1.00 1.58 C ATOM 162 CG GLN A 11 80.493 -8.283 3.032 1.00 1.88 C ATOM 163 CD GLN A 11 80.289 -7.152 4.042 1.00 2.09 C ATOM 164 OE1 GLN A 11 79.569 -6.210 3.780 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.898 -7.207 5.195 1.00 2.48 N ATOM 0 H GLN A 11 79.424 -7.216 0.724 1.00 1.37 H new ATOM 0 HA GLN A 11 79.915 -10.150 1.038 1.00 1.43 H new ATOM 0 HB2 GLN A 11 78.383 -8.017 2.641 1.00 1.58 H new ATOM 0 HB3 GLN A 11 78.802 -9.616 3.223 1.00 1.58 H new ATOM 0 HG2 GLN A 11 81.071 -9.089 3.484 1.00 1.88 H new ATOM 0 HG3 GLN A 11 81.064 -7.922 2.177 1.00 1.88 H new ATOM 0 HE21 GLN A 11 81.503 -7.998 5.415 1.00 2.48 H new ATOM 0 HE22 GLN A 11 80.769 -6.459 5.876 1.00 2.48 H new ATOM 174 N LEU A 12 77.077 -8.881 0.093 1.00 1.24 N ATOM 175 CA LEU A 12 75.734 -9.282 -0.415 1.00 1.13 C ATOM 176 C LEU A 12 75.879 -10.332 -1.521 1.00 1.02 C ATOM 177 O LEU A 12 76.735 -10.230 -2.377 1.00 1.28 O ATOM 178 CB LEU A 12 75.120 -7.997 -0.974 1.00 1.12 C ATOM 179 CG LEU A 12 74.601 -7.134 0.176 1.00 1.28 C ATOM 180 CD1 LEU A 12 74.015 -5.835 -0.384 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.512 -7.896 0.933 1.00 1.49 C ATOM 0 H LEU A 12 77.304 -7.892 -0.011 1.00 1.24 H new ATOM 0 HA LEU A 12 75.114 -9.724 0.365 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.865 -7.446 -1.548 1.00 1.12 H new ATOM 0 HB3 LEU A 12 74.306 -8.238 -1.657 1.00 1.12 H new ATOM 0 HG LEU A 12 75.422 -6.901 0.854 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.645 -5.220 0.436 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.789 -5.291 -0.926 1.00 2.02 H new ATOM 0 HD13 LEU A 12 73.194 -6.069 -1.062 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.141 -7.281 1.753 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.692 -8.128 0.254 1.00 1.49 H new ATOM 0 HD23 LEU A 12 73.926 -8.822 1.332 1.00 1.49 H new ATOM 193 N THR A 13 75.049 -11.339 -1.510 1.00 0.93 N ATOM 194 CA THR A 13 75.141 -12.394 -2.561 1.00 0.93 C ATOM 195 C THR A 13 73.936 -12.308 -3.502 1.00 0.88 C ATOM 196 O THR A 13 72.907 -11.764 -3.159 1.00 0.86 O ATOM 197 CB THR A 13 75.126 -13.717 -1.796 1.00 1.03 C ATOM 198 OG1 THR A 13 74.292 -13.592 -0.652 1.00 1.13 O ATOM 199 CG2 THR A 13 76.547 -14.073 -1.357 1.00 1.20 C ATOM 0 H THR A 13 74.311 -11.478 -0.819 1.00 0.93 H new ATOM 0 HA THR A 13 76.035 -12.287 -3.176 1.00 0.93 H new ATOM 0 HB THR A 13 74.741 -14.505 -2.443 1.00 1.03 H new ATOM 0 HG1 THR A 13 73.574 -12.951 -0.839 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.534 -15.017 -0.812 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.185 -14.170 -2.235 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.936 -13.286 -0.711 1.00 1.20 H new ATOM 207 N GLU A 14 74.053 -12.842 -4.685 1.00 0.88 N ATOM 208 CA GLU A 14 72.908 -12.788 -5.638 1.00 0.87 C ATOM 209 C GLU A 14 71.666 -13.423 -5.008 1.00 0.82 C ATOM 210 O GLU A 14 70.558 -13.237 -5.473 1.00 0.79 O ATOM 211 CB GLU A 14 73.365 -13.593 -6.854 1.00 0.99 C ATOM 212 CG GLU A 14 72.728 -13.012 -8.118 1.00 1.98 C ATOM 213 CD GLU A 14 73.716 -13.114 -9.281 1.00 2.36 C ATOM 214 OE1 GLU A 14 74.759 -13.720 -9.095 1.00 2.36 O ATOM 215 OE2 GLU A 14 73.413 -12.585 -10.338 1.00 3.17 O ATOM 0 H GLU A 14 74.888 -13.312 -5.033 1.00 0.88 H new ATOM 0 HA GLU A 14 72.641 -11.766 -5.905 1.00 0.87 H new ATOM 0 HB2 GLU A 14 74.452 -13.564 -6.935 1.00 0.99 H new ATOM 0 HB3 GLU A 14 73.081 -14.639 -6.739 1.00 0.99 H new ATOM 0 HG2 GLU A 14 71.812 -13.552 -8.357 1.00 1.98 H new ATOM 0 HG3 GLU A 14 72.451 -11.971 -7.953 1.00 1.98 H new ATOM 222 N GLU A 15 71.840 -14.169 -3.953 1.00 0.85 N ATOM 223 CA GLU A 15 70.670 -14.815 -3.295 1.00 0.84 C ATOM 224 C GLU A 15 69.694 -13.751 -2.784 1.00 0.76 C ATOM 225 O GLU A 15 68.524 -13.763 -3.110 1.00 0.70 O ATOM 226 CB GLU A 15 71.259 -15.608 -2.129 1.00 0.92 C ATOM 227 CG GLU A 15 70.407 -16.853 -1.874 1.00 1.49 C ATOM 228 CD GLU A 15 71.322 -18.061 -1.662 1.00 1.88 C ATOM 229 OE1 GLU A 15 71.866 -18.184 -0.578 1.00 2.62 O ATOM 230 OE2 GLU A 15 71.461 -18.843 -2.588 1.00 2.07 O ATOM 0 H GLU A 15 72.743 -14.359 -3.518 1.00 0.85 H new ATOM 0 HA GLU A 15 70.112 -15.453 -3.980 1.00 0.84 H new ATOM 0 HB2 GLU A 15 72.286 -15.897 -2.354 1.00 0.92 H new ATOM 0 HB3 GLU A 15 71.292 -14.987 -1.233 1.00 0.92 H new ATOM 0 HG2 GLU A 15 69.777 -16.702 -0.998 1.00 1.49 H new ATOM 0 HG3 GLU A 15 69.741 -17.031 -2.719 1.00 1.49 H new ATOM 237 N GLN A 16 70.164 -12.829 -1.988 1.00 0.79 N ATOM 238 CA GLN A 16 69.252 -11.770 -1.466 1.00 0.74 C ATOM 239 C GLN A 16 69.142 -10.630 -2.486 1.00 0.68 C ATOM 240 O GLN A 16 68.237 -9.821 -2.434 1.00 0.67 O ATOM 241 CB GLN A 16 69.888 -11.307 -0.141 1.00 0.79 C ATOM 242 CG GLN A 16 70.716 -10.033 -0.344 1.00 0.88 C ATOM 243 CD GLN A 16 71.934 -10.346 -1.210 1.00 1.70 C ATOM 244 OE1 GLN A 16 72.700 -11.237 -0.901 1.00 2.53 O ATOM 245 NE2 GLN A 16 72.148 -9.644 -2.290 1.00 2.20 N ATOM 0 H GLN A 16 71.133 -12.763 -1.678 1.00 0.79 H new ATOM 0 HA GLN A 16 68.235 -12.127 -1.300 1.00 0.74 H new ATOM 0 HB2 GLN A 16 69.107 -11.123 0.597 1.00 0.79 H new ATOM 0 HB3 GLN A 16 70.523 -12.098 0.257 1.00 0.79 H new ATOM 0 HG2 GLN A 16 70.107 -9.264 -0.819 1.00 0.88 H new ATOM 0 HG3 GLN A 16 71.035 -9.637 0.620 1.00 0.88 H new ATOM 0 HE21 GLN A 16 71.504 -8.896 -2.548 1.00 2.20 H new ATOM 0 HE22 GLN A 16 72.959 -9.843 -2.875 1.00 2.20 H new ATOM 254 N LYS A 17 70.055 -10.569 -3.417 1.00 0.69 N ATOM 255 CA LYS A 17 70.004 -9.490 -4.442 1.00 0.68 C ATOM 256 C LYS A 17 68.871 -9.767 -5.434 1.00 0.62 C ATOM 257 O LYS A 17 68.158 -8.872 -5.844 1.00 0.57 O ATOM 258 CB LYS A 17 71.360 -9.545 -5.146 1.00 0.79 C ATOM 259 CG LYS A 17 71.874 -8.123 -5.377 1.00 1.01 C ATOM 260 CD LYS A 17 73.174 -8.175 -6.180 1.00 1.53 C ATOM 261 CE LYS A 17 74.298 -8.724 -5.299 1.00 1.70 C ATOM 262 NZ LYS A 17 75.274 -9.321 -6.253 1.00 2.33 N ATOM 0 H LYS A 17 70.834 -11.221 -3.511 1.00 0.69 H new ATOM 0 HA LYS A 17 69.815 -8.510 -4.005 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.073 -10.107 -4.542 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.266 -10.068 -6.098 1.00 0.79 H new ATOM 0 HG2 LYS A 17 71.127 -7.537 -5.912 1.00 1.01 H new ATOM 0 HG3 LYS A 17 72.044 -7.627 -4.422 1.00 1.01 H new ATOM 0 HD2 LYS A 17 73.046 -8.806 -7.059 1.00 1.53 H new ATOM 0 HD3 LYS A 17 73.432 -7.179 -6.538 1.00 1.53 H new ATOM 0 HE2 LYS A 17 74.758 -7.933 -4.706 1.00 1.70 H new ATOM 0 HE3 LYS A 17 73.923 -9.470 -4.599 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 76.076 -9.720 -5.725 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 74.810 -10.075 -6.799 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 75.619 -8.586 -6.903 1.00 2.33 H new ATOM 276 N ASN A 18 68.698 -11.002 -5.820 1.00 0.65 N ATOM 277 CA ASN A 18 67.608 -11.336 -6.781 1.00 0.64 C ATOM 278 C ASN A 18 66.272 -10.801 -6.262 1.00 0.58 C ATOM 279 O ASN A 18 65.528 -10.157 -6.977 1.00 0.56 O ATOM 280 CB ASN A 18 67.589 -12.864 -6.846 1.00 0.73 C ATOM 281 CG ASN A 18 68.491 -13.337 -7.987 1.00 0.91 C ATOM 282 OD1 ASN A 18 68.668 -12.641 -8.967 1.00 1.55 O ATOM 283 ND2 ASN A 18 69.074 -14.502 -7.901 1.00 1.35 N ATOM 0 H ASN A 18 69.263 -11.793 -5.512 1.00 0.65 H new ATOM 0 HA ASN A 18 67.769 -10.892 -7.763 1.00 0.64 H new ATOM 0 HB2 ASN A 18 67.931 -13.283 -5.900 1.00 0.73 H new ATOM 0 HB3 ASN A 18 66.570 -13.219 -7.002 1.00 0.73 H new ATOM 0 HD21 ASN A 18 69.678 -14.827 -8.656 1.00 1.35 H new ATOM 0 HD22 ASN A 18 68.926 -15.087 -7.079 1.00 1.35 H new ATOM 290 N GLU A 19 65.962 -11.059 -5.021 1.00 0.62 N ATOM 291 CA GLU A 19 64.677 -10.559 -4.457 1.00 0.64 C ATOM 292 C GLU A 19 64.736 -9.039 -4.295 1.00 0.58 C ATOM 293 O GLU A 19 63.726 -8.364 -4.287 1.00 0.61 O ATOM 294 CB GLU A 19 64.547 -11.242 -3.095 1.00 0.75 C ATOM 295 CG GLU A 19 63.088 -11.638 -2.859 1.00 1.47 C ATOM 296 CD GLU A 19 62.768 -12.905 -3.655 1.00 2.01 C ATOM 297 OE1 GLU A 19 62.351 -12.775 -4.794 1.00 2.64 O ATOM 298 OE2 GLU A 19 62.945 -13.983 -3.111 1.00 2.50 O ATOM 0 H GLU A 19 66.542 -11.594 -4.374 1.00 0.62 H new ATOM 0 HA GLU A 19 63.826 -10.779 -5.101 1.00 0.64 H new ATOM 0 HB2 GLU A 19 65.185 -12.125 -3.057 1.00 0.75 H new ATOM 0 HB3 GLU A 19 64.885 -10.570 -2.306 1.00 0.75 H new ATOM 0 HG2 GLU A 19 62.914 -11.809 -1.797 1.00 1.47 H new ATOM 0 HG3 GLU A 19 62.426 -10.827 -3.164 1.00 1.47 H new ATOM 305 N PHE A 20 65.916 -8.494 -4.170 1.00 0.58 N ATOM 306 CA PHE A 20 66.044 -7.018 -4.015 1.00 0.59 C ATOM 307 C PHE A 20 65.918 -6.338 -5.380 1.00 0.53 C ATOM 308 O PHE A 20 65.261 -5.325 -5.521 1.00 0.54 O ATOM 309 CB PHE A 20 67.439 -6.799 -3.429 1.00 0.67 C ATOM 310 CG PHE A 20 67.335 -6.585 -1.936 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.228 -7.072 -1.229 1.00 1.87 C ATOM 312 CD2 PHE A 20 68.349 -5.896 -1.257 1.00 1.85 C ATOM 313 CE1 PHE A 20 66.134 -6.871 0.152 1.00 2.57 C ATOM 314 CE2 PHE A 20 68.254 -5.695 0.125 1.00 2.52 C ATOM 315 CZ PHE A 20 67.147 -6.182 0.830 1.00 2.67 C ATOM 0 H PHE A 20 66.797 -9.008 -4.169 1.00 0.58 H new ATOM 0 HA PHE A 20 65.268 -6.597 -3.376 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.072 -7.661 -3.640 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.910 -5.935 -3.898 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.446 -7.603 -1.751 1.00 1.87 H new ATOM 0 HD2 PHE A 20 69.204 -5.520 -1.800 1.00 1.85 H new ATOM 0 HE1 PHE A 20 65.280 -7.247 0.695 1.00 2.57 H new ATOM 0 HE2 PHE A 20 69.035 -5.164 0.648 1.00 2.52 H new ATOM 0 HZ PHE A 20 67.074 -6.026 1.896 1.00 2.67 H new ATOM 325 N LYS A 21 66.534 -6.890 -6.389 1.00 0.53 N ATOM 326 CA LYS A 21 66.438 -6.278 -7.744 1.00 0.53 C ATOM 327 C LYS A 21 64.971 -6.216 -8.176 1.00 0.50 C ATOM 328 O LYS A 21 64.516 -5.236 -8.731 1.00 0.63 O ATOM 329 CB LYS A 21 67.230 -7.209 -8.661 1.00 0.61 C ATOM 330 CG LYS A 21 67.068 -6.757 -10.114 1.00 0.68 C ATOM 331 CD LYS A 21 66.331 -7.837 -10.907 1.00 1.26 C ATOM 332 CE LYS A 21 67.294 -8.486 -11.903 1.00 1.85 C ATOM 333 NZ LYS A 21 67.831 -9.682 -11.196 1.00 1.94 N ATOM 0 H LYS A 21 67.099 -7.737 -6.334 1.00 0.53 H new ATOM 0 HA LYS A 21 66.828 -5.261 -7.772 1.00 0.53 H new ATOM 0 HB2 LYS A 21 68.284 -7.201 -8.382 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.878 -8.234 -8.547 1.00 0.61 H new ATOM 0 HG2 LYS A 21 66.513 -5.820 -10.154 1.00 0.68 H new ATOM 0 HG3 LYS A 21 68.045 -6.568 -10.558 1.00 0.68 H new ATOM 0 HD2 LYS A 21 65.930 -8.591 -10.229 1.00 1.26 H new ATOM 0 HD3 LYS A 21 65.484 -7.400 -11.436 1.00 1.26 H new ATOM 0 HE2 LYS A 21 66.780 -8.768 -12.822 1.00 1.85 H new ATOM 0 HE3 LYS A 21 68.094 -7.800 -12.183 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 68.500 -10.181 -11.816 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 68.320 -9.382 -10.329 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 67.048 -10.320 -10.948 1.00 1.94 H new ATOM 347 N ALA A 22 64.228 -7.256 -7.914 1.00 0.51 N ATOM 348 CA ALA A 22 62.789 -7.261 -8.300 1.00 0.60 C ATOM 349 C ALA A 22 61.986 -6.388 -7.331 1.00 0.51 C ATOM 350 O ALA A 22 61.335 -5.442 -7.727 1.00 0.50 O ATOM 351 CB ALA A 22 62.354 -8.722 -8.193 1.00 0.76 C ATOM 0 H ALA A 22 64.556 -8.103 -7.449 1.00 0.51 H new ATOM 0 HA ALA A 22 62.626 -6.863 -9.301 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.301 -8.809 -8.463 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.953 -9.331 -8.870 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.496 -9.070 -7.170 1.00 0.76 H new ATOM 357 N ALA A 23 62.032 -6.696 -6.064 1.00 0.51 N ATOM 358 CA ALA A 23 61.274 -5.882 -5.070 1.00 0.47 C ATOM 359 C ALA A 23 61.660 -4.407 -5.192 1.00 0.43 C ATOM 360 O ALA A 23 60.922 -3.527 -4.798 1.00 0.46 O ATOM 361 CB ALA A 23 61.690 -6.433 -3.705 1.00 0.58 C ATOM 0 H ALA A 23 62.561 -7.476 -5.673 1.00 0.51 H new ATOM 0 HA ALA A 23 60.196 -5.943 -5.223 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.173 -5.884 -2.918 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.427 -7.489 -3.643 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.767 -6.319 -3.580 1.00 0.58 H new ATOM 367 N PHE A 24 62.813 -4.128 -5.736 1.00 0.54 N ATOM 368 CA PHE A 24 63.245 -2.709 -5.884 1.00 0.56 C ATOM 369 C PHE A 24 62.654 -2.107 -7.161 1.00 0.56 C ATOM 370 O PHE A 24 61.994 -1.086 -7.130 1.00 0.60 O ATOM 371 CB PHE A 24 64.770 -2.766 -5.972 1.00 0.66 C ATOM 372 CG PHE A 24 65.298 -1.431 -6.442 1.00 0.60 C ATOM 373 CD1 PHE A 24 65.166 -0.301 -5.626 1.00 1.24 C ATOM 374 CD2 PHE A 24 65.919 -1.324 -7.692 1.00 1.45 C ATOM 375 CE1 PHE A 24 65.654 0.937 -6.061 1.00 1.24 C ATOM 376 CE2 PHE A 24 66.408 -0.087 -8.126 1.00 1.61 C ATOM 377 CZ PHE A 24 66.275 1.044 -7.311 1.00 0.94 C ATOM 0 H PHE A 24 63.475 -4.822 -6.084 1.00 0.54 H new ATOM 0 HA PHE A 24 62.909 -2.086 -5.055 1.00 0.56 H new ATOM 0 HB2 PHE A 24 65.192 -3.013 -4.998 1.00 0.66 H new ATOM 0 HB3 PHE A 24 65.076 -3.553 -6.661 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.688 -0.384 -4.661 1.00 1.24 H new ATOM 0 HD2 PHE A 24 66.021 -2.196 -8.321 1.00 1.45 H new ATOM 0 HE1 PHE A 24 65.551 1.809 -5.432 1.00 1.24 H new ATOM 0 HE2 PHE A 24 66.888 -0.004 -9.090 1.00 1.61 H new ATOM 0 HZ PHE A 24 66.652 1.999 -7.647 1.00 0.94 H new ATOM 387 N ASP A 25 62.884 -2.730 -8.284 1.00 0.58 N ATOM 388 CA ASP A 25 62.334 -2.192 -9.562 1.00 0.64 C ATOM 389 C ASP A 25 60.811 -2.064 -9.469 1.00 0.66 C ATOM 390 O ASP A 25 60.196 -1.310 -10.197 1.00 0.76 O ATOM 391 CB ASP A 25 62.724 -3.219 -10.624 1.00 0.68 C ATOM 392 CG ASP A 25 62.543 -2.610 -12.015 1.00 1.05 C ATOM 393 OD1 ASP A 25 61.583 -1.881 -12.201 1.00 1.58 O ATOM 394 OD2 ASP A 25 63.368 -2.883 -12.871 1.00 1.78 O ATOM 0 H ASP A 25 63.429 -3.588 -8.373 1.00 0.58 H new ATOM 0 HA ASP A 25 62.721 -1.200 -9.794 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.760 -3.528 -10.483 1.00 0.68 H new ATOM 0 HB3 ASP A 25 62.108 -4.113 -10.524 1.00 0.68 H new ATOM 399 N ILE A 26 60.196 -2.796 -8.579 1.00 0.61 N ATOM 400 CA ILE A 26 58.715 -2.714 -8.440 1.00 0.67 C ATOM 401 C ILE A 26 58.311 -1.357 -7.855 1.00 0.73 C ATOM 402 O ILE A 26 57.144 -1.036 -7.757 1.00 0.99 O ATOM 403 CB ILE A 26 58.349 -3.847 -7.482 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.369 -5.173 -8.245 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.948 -3.610 -6.911 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.786 -6.274 -7.362 1.00 0.84 C ATOM 0 H ILE A 26 60.656 -3.447 -7.943 1.00 0.61 H new ATOM 0 HA ILE A 26 58.202 -2.807 -9.397 1.00 0.67 H new ATOM 0 HB ILE A 26 59.069 -3.879 -6.664 1.00 0.70 H new ATOM 0 HG12 ILE A 26 57.791 -5.085 -9.165 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.390 -5.424 -8.533 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.691 -4.420 -6.229 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.930 -2.663 -6.372 1.00 0.83 H new ATOM 0 HG23 ILE A 26 56.224 -3.578 -7.725 1.00 0.83 H new ATOM 0 HD11 ILE A 26 57.799 -7.220 -7.904 1.00 0.84 H new ATOM 0 HD12 ILE A 26 58.383 -6.367 -6.455 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.759 -6.022 -7.097 1.00 0.84 H new ATOM 418 N PHE A 27 59.268 -0.560 -7.465 1.00 0.57 N ATOM 419 CA PHE A 27 58.936 0.774 -6.886 1.00 0.63 C ATOM 420 C PHE A 27 59.633 1.887 -7.674 1.00 0.59 C ATOM 421 O PHE A 27 59.988 2.915 -7.132 1.00 0.67 O ATOM 422 CB PHE A 27 59.459 0.721 -5.450 1.00 0.70 C ATOM 423 CG PHE A 27 58.610 -0.229 -4.643 1.00 0.67 C ATOM 424 CD1 PHE A 27 58.704 -1.609 -4.861 1.00 1.17 C ATOM 425 CD2 PHE A 27 57.725 0.267 -3.678 1.00 1.44 C ATOM 426 CE1 PHE A 27 57.915 -2.492 -4.114 1.00 1.20 C ATOM 427 CE2 PHE A 27 56.936 -0.615 -2.931 1.00 1.65 C ATOM 428 CZ PHE A 27 57.031 -1.995 -3.149 1.00 1.09 C ATOM 0 H PHE A 27 60.264 -0.774 -7.522 1.00 0.57 H new ATOM 0 HA PHE A 27 57.867 0.986 -6.924 1.00 0.63 H new ATOM 0 HB2 PHE A 27 60.499 0.394 -5.442 1.00 0.70 H new ATOM 0 HB3 PHE A 27 59.434 1.716 -5.005 1.00 0.70 H new ATOM 0 HD1 PHE A 27 59.386 -1.992 -5.606 1.00 1.17 H new ATOM 0 HD2 PHE A 27 57.651 1.331 -3.510 1.00 1.44 H new ATOM 0 HE1 PHE A 27 57.988 -3.556 -4.282 1.00 1.20 H new ATOM 0 HE2 PHE A 27 56.254 -0.231 -2.187 1.00 1.65 H new ATOM 0 HZ PHE A 27 56.422 -2.676 -2.573 1.00 1.09 H new ATOM 438 N VAL A 28 59.828 1.690 -8.949 1.00 0.58 N ATOM 439 CA VAL A 28 60.498 2.741 -9.770 1.00 0.59 C ATOM 440 C VAL A 28 59.451 3.654 -10.410 1.00 0.64 C ATOM 441 O VAL A 28 59.679 4.252 -11.443 1.00 0.73 O ATOM 442 CB VAL A 28 61.269 1.973 -10.844 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.035 2.960 -11.727 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.256 1.014 -10.177 1.00 1.37 C ATOM 0 H VAL A 28 59.554 0.850 -9.458 1.00 0.58 H new ATOM 0 HA VAL A 28 61.154 3.376 -9.175 1.00 0.59 H new ATOM 0 HB VAL A 28 60.569 1.405 -11.457 1.00 0.60 H new ATOM 0 HG11 VAL A 28 62.585 2.412 -12.493 1.00 1.41 H new ATOM 0 HG12 VAL A 28 61.332 3.643 -12.204 1.00 1.41 H new ATOM 0 HG13 VAL A 28 62.735 3.529 -11.115 1.00 1.41 H new ATOM 0 HG21 VAL A 28 62.805 0.467 -10.943 1.00 1.37 H new ATOM 0 HG22 VAL A 28 62.956 1.581 -9.564 1.00 1.37 H new ATOM 0 HG23 VAL A 28 61.711 0.310 -9.549 1.00 1.37 H new ATOM 454 N LEU A 29 58.300 3.763 -9.805 1.00 0.75 N ATOM 455 CA LEU A 29 57.233 4.634 -10.376 1.00 0.91 C ATOM 456 C LEU A 29 57.697 6.092 -10.404 1.00 1.10 C ATOM 457 O LEU A 29 57.500 6.835 -9.463 1.00 1.54 O ATOM 458 CB LEU A 29 56.040 4.468 -9.434 1.00 1.17 C ATOM 459 CG LEU A 29 56.470 4.788 -8.001 1.00 1.49 C ATOM 460 CD1 LEU A 29 55.689 6.000 -7.493 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.182 3.583 -7.101 1.00 1.73 C ATOM 0 H LEU A 29 58.052 3.286 -8.938 1.00 0.75 H new ATOM 0 HA LEU A 29 56.983 4.362 -11.402 1.00 0.91 H new ATOM 0 HB2 LEU A 29 55.229 5.130 -9.738 1.00 1.17 H new ATOM 0 HB3 LEU A 29 55.658 3.449 -9.491 1.00 1.17 H new ATOM 0 HG LEU A 29 57.537 5.009 -7.983 1.00 1.49 H new ATOM 0 HD11 LEU A 29 55.995 6.228 -6.472 1.00 2.09 H new ATOM 0 HD12 LEU A 29 55.892 6.858 -8.133 1.00 2.09 H new ATOM 0 HD13 LEU A 29 54.622 5.779 -7.511 1.00 2.09 H new ATOM 0 HD21 LEU A 29 56.488 3.810 -6.080 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.115 3.362 -7.119 1.00 1.73 H new ATOM 0 HD23 LEU A 29 56.738 2.718 -7.462 1.00 1.73 H new ATOM 473 N GLY A 30 58.311 6.509 -11.478 1.00 1.47 N ATOM 474 CA GLY A 30 58.784 7.919 -11.566 1.00 1.89 C ATOM 475 C GLY A 30 60.296 7.969 -11.336 1.00 1.94 C ATOM 476 O GLY A 30 61.031 7.114 -11.791 1.00 2.46 O ATOM 0 H GLY A 30 58.505 5.934 -12.298 1.00 1.47 H new ATOM 0 HA2 GLY A 30 58.541 8.334 -12.544 1.00 1.89 H new ATOM 0 HA3 GLY A 30 58.273 8.532 -10.824 1.00 1.89 H new ATOM 480 N ALA A 31 60.767 8.966 -10.636 1.00 1.89 N ATOM 481 CA ALA A 31 62.224 9.081 -10.378 1.00 2.14 C ATOM 482 C ALA A 31 62.954 9.412 -11.677 1.00 2.28 C ATOM 483 O ALA A 31 62.497 10.205 -12.476 1.00 2.46 O ATOM 484 CB ALA A 31 62.642 7.708 -9.844 1.00 1.97 C ATOM 0 H ALA A 31 60.198 9.709 -10.231 1.00 1.89 H new ATOM 0 HA ALA A 31 62.465 9.874 -9.670 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.710 7.711 -9.628 1.00 1.97 H new ATOM 0 HB2 ALA A 31 62.088 7.489 -8.931 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.425 6.945 -10.592 1.00 1.97 H new ATOM 490 N GLU A 32 64.082 8.812 -11.892 1.00 2.73 N ATOM 491 CA GLU A 32 64.853 9.086 -13.138 1.00 2.98 C ATOM 492 C GLU A 32 64.895 7.835 -14.021 1.00 2.33 C ATOM 493 O GLU A 32 64.445 7.845 -15.150 1.00 2.34 O ATOM 494 CB GLU A 32 66.259 9.456 -12.665 1.00 3.71 C ATOM 495 CG GLU A 32 67.109 9.871 -13.867 1.00 4.48 C ATOM 496 CD GLU A 32 68.546 9.384 -13.670 1.00 5.14 C ATOM 497 OE1 GLU A 32 68.717 8.224 -13.330 1.00 5.71 O ATOM 498 OE2 GLU A 32 69.451 10.179 -13.863 1.00 5.38 O ATOM 0 H GLU A 32 64.511 8.138 -11.258 1.00 2.73 H new ATOM 0 HA GLU A 32 64.403 9.880 -13.734 1.00 2.98 H new ATOM 0 HB2 GLU A 32 66.209 10.271 -11.943 1.00 3.71 H new ATOM 0 HB3 GLU A 32 66.718 8.608 -12.157 1.00 3.71 H new ATOM 0 HG2 GLU A 32 66.693 9.450 -14.782 1.00 4.48 H new ATOM 0 HG3 GLU A 32 67.094 10.955 -13.980 1.00 4.48 H new ATOM 505 N ASP A 33 65.434 6.758 -13.517 1.00 2.13 N ATOM 506 CA ASP A 33 65.504 5.512 -14.332 1.00 2.25 C ATOM 507 C ASP A 33 65.938 4.330 -13.459 1.00 1.67 C ATOM 508 O ASP A 33 67.093 3.952 -13.440 1.00 2.00 O ATOM 509 CB ASP A 33 66.551 5.799 -15.408 1.00 3.20 C ATOM 510 CG ASP A 33 66.697 4.580 -16.320 1.00 3.87 C ATOM 511 OD1 ASP A 33 66.378 3.489 -15.874 1.00 4.49 O ATOM 512 OD2 ASP A 33 67.123 4.757 -17.449 1.00 4.16 O ATOM 0 H ASP A 33 65.828 6.687 -12.579 1.00 2.13 H new ATOM 0 HA ASP A 33 64.539 5.248 -14.764 1.00 2.25 H new ATOM 0 HB2 ASP A 33 66.256 6.670 -15.993 1.00 3.20 H new ATOM 0 HB3 ASP A 33 67.509 6.035 -14.944 1.00 3.20 H new ATOM 517 N GLY A 34 65.022 3.745 -12.738 1.00 1.10 N ATOM 518 CA GLY A 34 65.382 2.588 -11.870 1.00 1.18 C ATOM 519 C GLY A 34 65.616 3.074 -10.438 1.00 0.92 C ATOM 520 O GLY A 34 66.489 2.595 -9.743 1.00 1.03 O ATOM 0 H GLY A 34 64.040 4.018 -12.712 1.00 1.10 H new ATOM 0 HA2 GLY A 34 64.584 1.846 -11.887 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.279 2.100 -12.251 1.00 1.18 H new ATOM 524 N CYS A 35 64.838 4.022 -9.992 1.00 0.78 N ATOM 525 CA CYS A 35 65.013 4.538 -8.604 1.00 0.68 C ATOM 526 C CYS A 35 63.653 4.648 -7.910 1.00 0.69 C ATOM 527 O CYS A 35 62.629 4.789 -8.549 1.00 0.89 O ATOM 528 CB CYS A 35 65.644 5.920 -8.770 1.00 0.78 C ATOM 529 SG CYS A 35 67.082 5.800 -9.863 1.00 1.27 S ATOM 0 H CYS A 35 64.089 4.461 -10.528 1.00 0.78 H new ATOM 0 HA CYS A 35 65.631 3.881 -7.993 1.00 0.68 H new ATOM 0 HB2 CYS A 35 64.916 6.617 -9.185 1.00 0.78 H new ATOM 0 HB3 CYS A 35 65.944 6.314 -7.799 1.00 0.78 H new ATOM 0 HG CYS A 35 67.618 6.976 -10.006 1.00 1.27 H new ATOM 535 N ILE A 36 63.633 4.584 -6.607 1.00 0.57 N ATOM 536 CA ILE A 36 62.336 4.685 -5.878 1.00 0.57 C ATOM 537 C ILE A 36 62.327 5.931 -4.989 1.00 0.50 C ATOM 538 O ILE A 36 63.347 6.549 -4.759 1.00 0.60 O ATOM 539 CB ILE A 36 62.258 3.419 -5.027 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.341 3.463 -3.946 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.475 2.193 -5.916 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.098 2.343 -2.932 1.00 0.75 C ATOM 0 H ILE A 36 64.456 4.466 -6.016 1.00 0.57 H new ATOM 0 HA ILE A 36 61.487 4.771 -6.556 1.00 0.57 H new ATOM 0 HB ILE A 36 61.277 3.358 -4.556 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.326 3.350 -4.399 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.330 4.431 -3.444 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.419 1.289 -5.309 1.00 0.72 H new ATOM 0 HG22 ILE A 36 61.704 2.161 -6.686 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.456 2.254 -6.387 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.870 2.375 -2.163 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.120 2.476 -2.470 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.132 1.379 -3.440 1.00 0.75 H new ATOM 554 N SER A 37 61.181 6.304 -4.489 1.00 0.54 N ATOM 555 CA SER A 37 61.106 7.510 -3.616 1.00 0.50 C ATOM 556 C SER A 37 61.290 7.113 -2.150 1.00 0.48 C ATOM 557 O SER A 37 60.865 6.057 -1.725 1.00 0.60 O ATOM 558 CB SER A 37 59.708 8.081 -3.847 1.00 0.55 C ATOM 559 OG SER A 37 59.767 9.068 -4.869 1.00 1.02 O ATOM 0 H SER A 37 60.294 5.826 -4.647 1.00 0.54 H new ATOM 0 HA SER A 37 61.885 8.237 -3.848 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.020 7.285 -4.133 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.324 8.518 -2.925 1.00 0.55 H new ATOM 0 HG SER A 37 58.871 9.435 -5.021 1.00 1.02 H new ATOM 565 N THR A 38 61.920 7.950 -1.373 1.00 0.48 N ATOM 566 CA THR A 38 62.130 7.618 0.065 1.00 0.53 C ATOM 567 C THR A 38 60.829 7.099 0.682 1.00 0.53 C ATOM 568 O THR A 38 60.827 6.158 1.449 1.00 0.59 O ATOM 569 CB THR A 38 62.549 8.936 0.720 1.00 0.64 C ATOM 570 OG1 THR A 38 61.531 9.907 0.520 1.00 0.62 O ATOM 571 CG2 THR A 38 63.856 9.427 0.094 1.00 0.85 C ATOM 0 H THR A 38 62.298 8.849 -1.671 1.00 0.48 H new ATOM 0 HA THR A 38 62.880 6.839 0.205 1.00 0.53 H new ATOM 0 HB THR A 38 62.698 8.780 1.788 1.00 0.64 H new ATOM 0 HG1 THR A 38 61.797 10.751 0.940 1.00 0.62 H new ATOM 0 HG21 THR A 38 64.153 10.366 0.561 1.00 0.85 H new ATOM 0 HG22 THR A 38 64.636 8.682 0.249 1.00 0.85 H new ATOM 0 HG23 THR A 38 63.711 9.584 -0.975 1.00 0.85 H new ATOM 579 N LYS A 39 59.722 7.705 0.352 1.00 0.60 N ATOM 580 CA LYS A 39 58.422 7.244 0.919 1.00 0.73 C ATOM 581 C LYS A 39 58.118 5.818 0.450 1.00 0.66 C ATOM 582 O LYS A 39 57.241 5.157 0.968 1.00 0.87 O ATOM 583 CB LYS A 39 57.381 8.223 0.374 1.00 0.90 C ATOM 584 CG LYS A 39 56.062 8.040 1.128 1.00 1.78 C ATOM 585 CD LYS A 39 55.079 9.138 0.714 1.00 2.12 C ATOM 586 CE LYS A 39 54.998 10.195 1.818 1.00 2.70 C ATOM 587 NZ LYS A 39 55.107 11.500 1.109 1.00 2.96 N ATOM 0 H LYS A 39 59.661 8.499 -0.285 1.00 0.60 H new ATOM 0 HA LYS A 39 58.430 7.225 2.009 1.00 0.73 H new ATOM 0 HB2 LYS A 39 57.737 9.247 0.486 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.229 8.053 -0.692 1.00 0.90 H new ATOM 0 HG2 LYS A 39 55.640 7.059 0.911 1.00 1.78 H new ATOM 0 HG3 LYS A 39 56.237 8.081 2.203 1.00 1.78 H new ATOM 0 HD2 LYS A 39 55.403 9.597 -0.220 1.00 2.12 H new ATOM 0 HD3 LYS A 39 54.093 8.709 0.534 1.00 2.12 H new ATOM 0 HE2 LYS A 39 54.059 10.121 2.367 1.00 2.70 H new ATOM 0 HE3 LYS A 39 55.802 10.071 2.543 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 55.060 12.276 1.800 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 56.013 11.544 0.601 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 54.324 11.593 0.430 1.00 2.96 H new ATOM 601 N GLU A 40 58.838 5.340 -0.529 1.00 0.52 N ATOM 602 CA GLU A 40 58.591 3.958 -1.030 1.00 0.56 C ATOM 603 C GLU A 40 59.465 2.957 -0.271 1.00 0.52 C ATOM 604 O GLU A 40 59.042 1.861 0.042 1.00 0.59 O ATOM 605 CB GLU A 40 58.979 3.998 -2.509 1.00 0.71 C ATOM 606 CG GLU A 40 58.246 5.150 -3.199 1.00 1.06 C ATOM 607 CD GLU A 40 56.752 4.830 -3.279 1.00 1.41 C ATOM 608 OE1 GLU A 40 56.423 3.712 -3.636 1.00 1.60 O ATOM 609 OE2 GLU A 40 55.960 5.711 -2.984 1.00 2.23 O ATOM 0 H GLU A 40 59.586 5.847 -1.003 1.00 0.52 H new ATOM 0 HA GLU A 40 57.556 3.645 -0.889 1.00 0.56 H new ATOM 0 HB2 GLU A 40 60.057 4.127 -2.610 1.00 0.71 H new ATOM 0 HB3 GLU A 40 58.725 3.053 -2.988 1.00 0.71 H new ATOM 0 HG2 GLU A 40 58.401 6.077 -2.646 1.00 1.06 H new ATOM 0 HG3 GLU A 40 58.650 5.304 -4.200 1.00 1.06 H new ATOM 616 N LEU A 41 60.680 3.325 0.031 1.00 0.51 N ATOM 617 CA LEU A 41 61.579 2.394 0.773 1.00 0.54 C ATOM 618 C LEU A 41 60.810 1.708 1.904 1.00 0.56 C ATOM 619 O LEU A 41 60.870 0.506 2.067 1.00 0.70 O ATOM 620 CB LEU A 41 62.686 3.284 1.342 1.00 0.62 C ATOM 621 CG LEU A 41 64.047 2.799 0.839 1.00 0.64 C ATOM 622 CD1 LEU A 41 65.158 3.477 1.643 1.00 1.18 C ATOM 623 CD2 LEU A 41 64.146 1.282 1.017 1.00 1.40 C ATOM 0 H LEU A 41 61.090 4.229 -0.203 1.00 0.51 H new ATOM 0 HA LEU A 41 61.976 1.605 0.134 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.524 4.319 1.041 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.661 3.261 2.431 1.00 0.62 H new ATOM 0 HG LEU A 41 64.154 3.050 -0.216 1.00 0.64 H new ATOM 0 HD11 LEU A 41 66.128 3.132 1.285 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.089 4.558 1.519 1.00 1.18 H new ATOM 0 HD13 LEU A 41 65.050 3.225 2.698 1.00 1.18 H new ATOM 0 HD21 LEU A 41 65.116 0.936 0.659 1.00 1.40 H new ATOM 0 HD22 LEU A 41 64.039 1.032 2.072 1.00 1.40 H new ATOM 0 HD23 LEU A 41 63.354 0.796 0.447 1.00 1.40 H new ATOM 635 N GLY A 42 60.086 2.462 2.685 1.00 0.57 N ATOM 636 CA GLY A 42 59.313 1.851 3.802 1.00 0.60 C ATOM 637 C GLY A 42 58.562 0.623 3.288 1.00 0.55 C ATOM 638 O GLY A 42 58.830 -0.493 3.687 1.00 0.57 O ATOM 0 H GLY A 42 59.997 3.474 2.598 1.00 0.57 H new ATOM 0 HA2 GLY A 42 59.985 1.567 4.612 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.610 2.576 4.211 1.00 0.60 H new ATOM 642 N LYS A 43 57.625 0.818 2.401 1.00 0.57 N ATOM 643 CA LYS A 43 56.860 -0.342 1.858 1.00 0.58 C ATOM 644 C LYS A 43 57.826 -1.418 1.358 1.00 0.56 C ATOM 645 O LYS A 43 57.507 -2.591 1.331 1.00 0.60 O ATOM 646 CB LYS A 43 56.046 0.228 0.696 1.00 0.65 C ATOM 647 CG LYS A 43 54.795 0.925 1.237 1.00 0.99 C ATOM 648 CD LYS A 43 54.373 2.034 0.270 1.00 1.28 C ATOM 649 CE LYS A 43 52.936 1.788 -0.195 1.00 1.53 C ATOM 650 NZ LYS A 43 53.063 0.913 -1.394 1.00 1.86 N ATOM 0 H LYS A 43 57.356 1.729 2.029 1.00 0.57 H new ATOM 0 HA LYS A 43 56.223 -0.807 2.610 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.651 0.934 0.127 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.762 -0.571 0.012 1.00 0.65 H new ATOM 0 HG2 LYS A 43 53.986 0.204 1.356 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.996 1.344 2.223 1.00 0.99 H new ATOM 0 HD2 LYS A 43 54.447 3.005 0.760 1.00 1.28 H new ATOM 0 HD3 LYS A 43 55.045 2.058 -0.588 1.00 1.28 H new ATOM 0 HE2 LYS A 43 52.346 1.306 0.585 1.00 1.53 H new ATOM 0 HE3 LYS A 43 52.435 2.724 -0.441 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 52.117 0.700 -1.770 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 53.624 1.401 -2.122 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 53.537 0.026 -1.128 1.00 1.86 H new ATOM 664 N VAL A 44 59.006 -1.029 0.961 1.00 0.54 N ATOM 665 CA VAL A 44 59.994 -2.027 0.461 1.00 0.56 C ATOM 666 C VAL A 44 60.705 -2.703 1.640 1.00 0.59 C ATOM 667 O VAL A 44 61.067 -3.861 1.576 1.00 0.57 O ATOM 668 CB VAL A 44 60.980 -1.213 -0.384 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.304 -1.970 -0.518 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.386 -0.985 -1.775 1.00 1.36 C ATOM 0 H VAL A 44 59.330 -0.062 0.961 1.00 0.54 H new ATOM 0 HA VAL A 44 59.528 -2.824 -0.119 1.00 0.56 H new ATOM 0 HB VAL A 44 61.162 -0.255 0.103 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.999 -1.384 -1.120 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.731 -2.135 0.471 1.00 1.36 H new ATOM 0 HG13 VAL A 44 62.126 -2.931 -1.001 1.00 1.36 H new ATOM 0 HG21 VAL A 44 61.085 -0.406 -2.379 1.00 1.36 H new ATOM 0 HG22 VAL A 44 60.202 -1.947 -2.254 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.447 -0.440 -1.685 1.00 1.36 H new ATOM 680 N MET A 45 60.907 -1.989 2.714 1.00 0.74 N ATOM 681 CA MET A 45 61.591 -2.596 3.891 1.00 0.84 C ATOM 682 C MET A 45 60.630 -3.524 4.639 1.00 0.86 C ATOM 683 O MET A 45 61.040 -4.371 5.408 1.00 0.89 O ATOM 684 CB MET A 45 61.990 -1.412 4.773 1.00 0.96 C ATOM 685 CG MET A 45 63.150 -0.658 4.120 1.00 1.12 C ATOM 686 SD MET A 45 64.599 -1.738 4.035 1.00 1.48 S ATOM 687 CE MET A 45 65.752 -0.643 4.899 1.00 0.73 C ATOM 0 H MET A 45 60.629 -1.014 2.827 1.00 0.74 H new ATOM 0 HA MET A 45 62.454 -3.197 3.603 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.140 -0.744 4.910 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.282 -1.764 5.762 1.00 0.96 H new ATOM 0 HG2 MET A 45 62.868 -0.331 3.119 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.384 0.238 4.694 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.507 -1.240 5.410 1.00 0.73 H new ATOM 0 HE2 MET A 45 66.236 0.016 4.179 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.207 -0.045 5.630 1.00 0.73 H new ATOM 697 N ARG A 46 59.353 -3.372 4.416 1.00 0.94 N ATOM 698 CA ARG A 46 58.364 -4.244 5.112 1.00 1.04 C ATOM 699 C ARG A 46 58.219 -5.580 4.376 1.00 1.00 C ATOM 700 O ARG A 46 58.181 -6.632 4.981 1.00 1.04 O ATOM 701 CB ARG A 46 57.047 -3.466 5.067 1.00 1.21 C ATOM 702 CG ARG A 46 57.301 -2.001 5.428 1.00 1.04 C ATOM 703 CD ARG A 46 56.345 -1.577 6.546 1.00 1.77 C ATOM 704 NE ARG A 46 56.168 -0.110 6.360 1.00 2.29 N ATOM 705 CZ ARG A 46 54.972 0.386 6.190 1.00 2.76 C ATOM 706 NH1 ARG A 46 54.263 0.746 7.224 1.00 3.45 N ATOM 707 NH2 ARG A 46 54.487 0.522 4.986 1.00 3.10 N ATOM 0 H ARG A 46 58.952 -2.681 3.782 1.00 0.94 H new ATOM 0 HA ARG A 46 58.669 -4.475 6.133 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.607 -3.534 4.072 1.00 1.21 H new ATOM 0 HB3 ARG A 46 56.331 -3.903 5.763 1.00 1.21 H new ATOM 0 HG2 ARG A 46 58.334 -1.868 5.749 1.00 1.04 H new ATOM 0 HG3 ARG A 46 57.156 -1.369 4.552 1.00 1.04 H new ATOM 0 HD2 ARG A 46 55.393 -2.103 6.473 1.00 1.77 H new ATOM 0 HD3 ARG A 46 56.760 -1.804 7.528 1.00 1.77 H new ATOM 0 HE ARG A 46 56.980 0.507 6.365 1.00 2.29 H new ATOM 0 HH11 ARG A 46 54.643 0.640 8.165 1.00 3.45 H new ATOM 0 HH12 ARG A 46 53.329 1.134 7.092 1.00 3.45 H new ATOM 0 HH21 ARG A 46 55.042 0.241 4.178 1.00 3.10 H new ATOM 0 HH22 ARG A 46 53.553 0.909 4.853 1.00 3.10 H new ATOM 721 N MET A 47 58.131 -5.543 3.073 1.00 0.98 N ATOM 722 CA MET A 47 57.981 -6.809 2.299 1.00 1.04 C ATOM 723 C MET A 47 59.242 -7.669 2.424 1.00 0.99 C ATOM 724 O MET A 47 59.206 -8.869 2.240 1.00 1.07 O ATOM 725 CB MET A 47 57.780 -6.364 0.849 1.00 1.19 C ATOM 726 CG MET A 47 56.371 -5.790 0.681 1.00 1.37 C ATOM 727 SD MET A 47 56.425 -4.376 -0.447 1.00 1.89 S ATOM 728 CE MET A 47 57.237 -5.217 -1.828 1.00 1.30 C ATOM 0 H MET A 47 58.156 -4.692 2.512 1.00 0.98 H new ATOM 0 HA MET A 47 57.151 -7.415 2.663 1.00 1.04 H new ATOM 0 HB2 MET A 47 58.524 -5.614 0.581 1.00 1.19 H new ATOM 0 HB3 MET A 47 57.923 -7.209 0.175 1.00 1.19 H new ATOM 0 HG2 MET A 47 55.700 -6.555 0.290 1.00 1.37 H new ATOM 0 HG3 MET A 47 55.975 -5.482 1.649 1.00 1.37 H new ATOM 0 HE1 MET A 47 56.838 -4.839 -2.769 1.00 1.30 H new ATOM 0 HE2 MET A 47 58.310 -5.031 -1.787 1.00 1.30 H new ATOM 0 HE3 MET A 47 57.052 -6.289 -1.760 1.00 1.30 H new ATOM 738 N LEU A 48 60.358 -7.067 2.732 1.00 0.93 N ATOM 739 CA LEU A 48 61.617 -7.855 2.864 1.00 0.98 C ATOM 740 C LEU A 48 61.738 -8.436 4.275 1.00 1.32 C ATOM 741 O LEU A 48 62.471 -9.375 4.509 1.00 1.80 O ATOM 742 CB LEU A 48 62.740 -6.853 2.596 1.00 1.21 C ATOM 743 CG LEU A 48 62.565 -6.251 1.202 1.00 1.28 C ATOM 744 CD1 LEU A 48 63.587 -5.132 0.995 1.00 2.11 C ATOM 745 CD2 LEU A 48 62.780 -7.339 0.147 1.00 1.86 C ATOM 0 H LEU A 48 60.453 -6.065 2.898 1.00 0.93 H new ATOM 0 HA LEU A 48 61.649 -8.698 2.174 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.725 -6.065 3.349 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.708 -7.347 2.671 1.00 1.21 H new ATOM 0 HG LEU A 48 61.558 -5.844 1.107 1.00 1.28 H new ATOM 0 HD11 LEU A 48 63.461 -4.704 0.001 1.00 2.11 H new ATOM 0 HD12 LEU A 48 63.435 -4.357 1.746 1.00 2.11 H new ATOM 0 HD13 LEU A 48 64.594 -5.537 1.091 1.00 2.11 H new ATOM 0 HD21 LEU A 48 62.655 -6.911 -0.848 1.00 1.86 H new ATOM 0 HD22 LEU A 48 63.787 -7.746 0.244 1.00 1.86 H new ATOM 0 HD23 LEU A 48 62.051 -8.136 0.293 1.00 1.86 H new ATOM 757 N GLY A 49 61.025 -7.884 5.218 1.00 1.36 N ATOM 758 CA GLY A 49 61.102 -8.407 6.612 1.00 1.95 C ATOM 759 C GLY A 49 61.725 -7.348 7.522 1.00 1.43 C ATOM 760 O GLY A 49 62.489 -7.654 8.415 1.00 1.92 O ATOM 0 H GLY A 49 60.393 -7.095 5.084 1.00 1.36 H new ATOM 0 HA2 GLY A 49 60.106 -8.668 6.969 1.00 1.95 H new ATOM 0 HA3 GLY A 49 61.698 -9.319 6.637 1.00 1.95 H new ATOM 764 N GLN A 50 61.406 -6.101 7.301 1.00 1.21 N ATOM 765 CA GLN A 50 61.981 -5.022 8.154 1.00 1.01 C ATOM 766 C GLN A 50 60.891 -4.021 8.544 1.00 1.02 C ATOM 767 O GLN A 50 59.855 -3.938 7.913 1.00 1.23 O ATOM 768 CB GLN A 50 63.039 -4.348 7.280 1.00 1.43 C ATOM 769 CG GLN A 50 64.429 -4.618 7.860 1.00 1.58 C ATOM 770 CD GLN A 50 64.442 -4.252 9.346 1.00 2.45 C ATOM 771 OE1 GLN A 50 64.308 -5.110 10.195 1.00 3.08 O ATOM 772 NE2 GLN A 50 64.598 -3.004 9.696 1.00 3.14 N ATOM 0 H GLN A 50 60.773 -5.783 6.567 1.00 1.21 H new ATOM 0 HA GLN A 50 62.404 -5.409 9.081 1.00 1.01 H new ATOM 0 HB2 GLN A 50 62.979 -4.728 6.260 1.00 1.43 H new ATOM 0 HB3 GLN A 50 62.856 -3.275 7.232 1.00 1.43 H new ATOM 0 HG2 GLN A 50 64.691 -5.668 7.731 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.178 -4.035 7.324 1.00 1.58 H new ATOM 0 HE21 GLN A 50 64.710 -2.284 8.982 1.00 3.14 H new ATOM 0 HE22 GLN A 50 64.607 -2.749 10.683 1.00 3.14 H new ATOM 781 N ASN A 51 61.113 -3.260 9.581 1.00 0.98 N ATOM 782 CA ASN A 51 60.088 -2.265 10.010 1.00 1.08 C ATOM 783 C ASN A 51 60.768 -1.013 10.569 1.00 0.93 C ATOM 784 O ASN A 51 60.601 -0.680 11.727 1.00 1.15 O ATOM 785 CB ASN A 51 59.282 -2.972 11.099 1.00 1.52 C ATOM 786 CG ASN A 51 57.937 -3.425 10.525 1.00 1.82 C ATOM 787 OD1 ASN A 51 57.105 -2.610 10.181 1.00 2.25 O ATOM 788 ND2 ASN A 51 57.688 -4.701 10.409 1.00 2.47 N ATOM 0 H ASN A 51 61.959 -3.284 10.150 1.00 0.98 H new ATOM 0 HA ASN A 51 59.456 -1.939 9.184 1.00 1.08 H new ATOM 0 HB2 ASN A 51 59.836 -3.831 11.477 1.00 1.52 H new ATOM 0 HB3 ASN A 51 59.122 -2.300 11.942 1.00 1.52 H new ATOM 0 HD21 ASN A 51 56.794 -5.014 10.029 1.00 2.47 H new ATOM 0 HD22 ASN A 51 58.387 -5.385 10.698 1.00 2.47 H new ATOM 795 N PRO A 52 61.514 -0.359 9.722 1.00 0.72 N ATOM 796 CA PRO A 52 62.232 0.874 10.129 1.00 0.80 C ATOM 797 C PRO A 52 61.248 2.036 10.293 1.00 0.80 C ATOM 798 O PRO A 52 60.229 2.096 9.634 1.00 0.80 O ATOM 799 CB PRO A 52 63.188 1.131 8.966 1.00 0.85 C ATOM 800 CG PRO A 52 62.554 0.462 7.789 1.00 0.79 C ATOM 801 CD PRO A 52 61.758 -0.704 8.318 1.00 0.71 C ATOM 0 HA PRO A 52 62.747 0.775 11.085 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.318 2.199 8.790 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.176 0.719 9.169 1.00 0.85 H new ATOM 0 HG2 PRO A 52 61.909 1.157 7.252 1.00 0.79 H new ATOM 0 HG3 PRO A 52 63.313 0.122 7.084 1.00 0.79 H new ATOM 0 HD2 PRO A 52 60.824 -0.831 7.770 1.00 0.71 H new ATOM 0 HD3 PRO A 52 62.311 -1.639 8.227 1.00 0.71 H new ATOM 809 N THR A 53 61.547 2.959 11.166 1.00 0.87 N ATOM 810 CA THR A 53 60.628 4.115 11.370 1.00 0.92 C ATOM 811 C THR A 53 60.909 5.206 10.332 1.00 0.82 C ATOM 812 O THR A 53 61.986 5.270 9.774 1.00 0.76 O ATOM 813 CB THR A 53 60.938 4.622 12.780 1.00 1.08 C ATOM 814 OG1 THR A 53 62.293 4.334 13.096 1.00 1.26 O ATOM 815 CG2 THR A 53 60.018 3.926 13.786 1.00 1.54 C ATOM 0 H THR A 53 62.386 2.963 11.746 1.00 0.87 H new ATOM 0 HA THR A 53 59.581 3.835 11.258 1.00 0.92 H new ATOM 0 HB THR A 53 60.775 5.699 12.826 1.00 1.08 H new ATOM 0 HG1 THR A 53 62.346 3.466 13.549 1.00 1.26 H new ATOM 0 HG21 THR A 53 60.238 4.287 14.791 1.00 1.54 H new ATOM 0 HG22 THR A 53 58.979 4.146 13.541 1.00 1.54 H new ATOM 0 HG23 THR A 53 60.181 2.849 13.743 1.00 1.54 H new ATOM 823 N PRO A 54 59.920 6.029 10.109 1.00 0.82 N ATOM 824 CA PRO A 54 60.050 7.132 9.126 1.00 0.75 C ATOM 825 C PRO A 54 60.957 8.239 9.673 1.00 0.73 C ATOM 826 O PRO A 54 61.414 9.097 8.943 1.00 0.69 O ATOM 827 CB PRO A 54 58.618 7.636 8.962 1.00 0.83 C ATOM 828 CG PRO A 54 57.926 7.255 10.232 1.00 0.94 C ATOM 829 CD PRO A 54 58.599 6.009 10.747 1.00 0.93 C ATOM 0 HA PRO A 54 60.497 6.813 8.185 1.00 0.75 H new ATOM 0 HB2 PRO A 54 58.594 8.715 8.808 1.00 0.83 H new ATOM 0 HB3 PRO A 54 58.136 7.180 8.097 1.00 0.83 H new ATOM 0 HG2 PRO A 54 57.994 8.060 10.964 1.00 0.94 H new ATOM 0 HG3 PRO A 54 56.866 7.075 10.054 1.00 0.94 H new ATOM 0 HD2 PRO A 54 58.681 6.020 11.834 1.00 0.93 H new ATOM 0 HD3 PRO A 54 58.039 5.113 10.478 1.00 0.93 H new ATOM 837 N GLU A 55 61.221 8.228 10.951 1.00 0.85 N ATOM 838 CA GLU A 55 62.098 9.283 11.538 1.00 0.87 C ATOM 839 C GLU A 55 63.573 8.911 11.359 1.00 0.84 C ATOM 840 O GLU A 55 64.422 9.765 11.195 1.00 0.82 O ATOM 841 CB GLU A 55 61.730 9.321 13.021 1.00 1.02 C ATOM 842 CG GLU A 55 60.309 9.867 13.183 1.00 1.48 C ATOM 843 CD GLU A 55 60.370 11.308 13.693 1.00 2.02 C ATOM 844 OE1 GLU A 55 60.959 11.520 14.742 1.00 2.57 O ATOM 845 OE2 GLU A 55 59.828 12.174 13.028 1.00 2.53 O ATOM 0 H GLU A 55 60.869 7.537 11.613 1.00 0.85 H new ATOM 0 HA GLU A 55 61.957 10.251 11.057 1.00 0.87 H new ATOM 0 HB2 GLU A 55 61.797 8.321 13.449 1.00 1.02 H new ATOM 0 HB3 GLU A 55 62.436 9.948 13.565 1.00 1.02 H new ATOM 0 HG2 GLU A 55 59.783 9.830 12.229 1.00 1.48 H new ATOM 0 HG3 GLU A 55 59.747 9.247 13.881 1.00 1.48 H new ATOM 852 N GLU A 56 63.884 7.645 11.391 1.00 0.88 N ATOM 853 CA GLU A 56 65.305 7.221 11.224 1.00 0.91 C ATOM 854 C GLU A 56 65.703 7.261 9.745 1.00 0.80 C ATOM 855 O GLU A 56 66.622 7.956 9.360 1.00 0.81 O ATOM 856 CB GLU A 56 65.355 5.788 11.756 1.00 1.00 C ATOM 857 CG GLU A 56 65.510 5.814 13.278 1.00 1.44 C ATOM 858 CD GLU A 56 66.870 5.231 13.664 1.00 1.39 C ATOM 859 OE1 GLU A 56 66.968 4.018 13.757 1.00 2.00 O ATOM 860 OE2 GLU A 56 67.791 6.007 13.861 1.00 1.79 O ATOM 0 H GLU A 56 63.217 6.885 11.525 1.00 0.88 H new ATOM 0 HA GLU A 56 65.996 7.877 11.753 1.00 0.91 H new ATOM 0 HB2 GLU A 56 64.445 5.255 11.482 1.00 1.00 H new ATOM 0 HB3 GLU A 56 66.188 5.250 11.304 1.00 1.00 H new ATOM 0 HG2 GLU A 56 65.424 6.837 13.645 1.00 1.44 H new ATOM 0 HG3 GLU A 56 64.710 5.239 13.745 1.00 1.44 H new ATOM 867 N LEU A 57 65.019 6.522 8.916 1.00 0.75 N ATOM 868 CA LEU A 57 65.361 6.521 7.463 1.00 0.70 C ATOM 869 C LEU A 57 65.597 7.951 6.973 1.00 0.67 C ATOM 870 O LEU A 57 66.446 8.199 6.138 1.00 0.71 O ATOM 871 CB LEU A 57 64.143 5.909 6.770 1.00 0.69 C ATOM 872 CG LEU A 57 64.124 4.398 7.006 1.00 1.00 C ATOM 873 CD1 LEU A 57 62.676 3.909 7.059 1.00 1.51 C ATOM 874 CD2 LEU A 57 64.858 3.695 5.862 1.00 1.41 C ATOM 0 H LEU A 57 64.239 5.919 9.180 1.00 0.75 H new ATOM 0 HA LEU A 57 66.273 5.961 7.254 1.00 0.70 H new ATOM 0 HB2 LEU A 57 63.228 6.359 7.156 1.00 0.69 H new ATOM 0 HB3 LEU A 57 64.176 6.120 5.701 1.00 0.69 H new ATOM 0 HG LEU A 57 64.619 4.171 7.950 1.00 1.00 H new ATOM 0 HD11 LEU A 57 62.662 2.832 7.227 1.00 1.51 H new ATOM 0 HD12 LEU A 57 62.152 4.410 7.873 1.00 1.51 H new ATOM 0 HD13 LEU A 57 62.181 4.135 6.115 1.00 1.51 H new ATOM 0 HD21 LEU A 57 64.845 2.618 6.029 1.00 1.41 H new ATOM 0 HD22 LEU A 57 64.362 3.922 4.918 1.00 1.41 H new ATOM 0 HD23 LEU A 57 65.890 4.044 5.823 1.00 1.41 H new ATOM 886 N GLN A 58 64.855 8.894 7.482 1.00 0.68 N ATOM 887 CA GLN A 58 65.038 10.308 7.045 1.00 0.72 C ATOM 888 C GLN A 58 66.349 10.868 7.602 1.00 0.71 C ATOM 889 O GLN A 58 66.953 11.751 7.025 1.00 0.79 O ATOM 890 CB GLN A 58 63.841 11.060 7.627 1.00 0.79 C ATOM 891 CG GLN A 58 62.612 10.826 6.748 1.00 1.09 C ATOM 892 CD GLN A 58 62.146 12.158 6.159 1.00 1.67 C ATOM 893 OE1 GLN A 58 61.437 12.905 6.804 1.00 2.37 O ATOM 894 NE2 GLN A 58 62.517 12.490 4.953 1.00 2.20 N ATOM 0 H GLN A 58 64.128 8.748 8.183 1.00 0.68 H new ATOM 0 HA GLN A 58 65.089 10.402 5.960 1.00 0.72 H new ATOM 0 HB2 GLN A 58 63.644 10.719 8.643 1.00 0.79 H new ATOM 0 HB3 GLN A 58 64.062 12.126 7.685 1.00 0.79 H new ATOM 0 HG2 GLN A 58 62.852 10.126 5.948 1.00 1.09 H new ATOM 0 HG3 GLN A 58 61.812 10.376 7.335 1.00 1.09 H new ATOM 0 HE21 GLN A 58 63.112 11.863 4.412 1.00 2.20 H new ATOM 0 HE22 GLN A 58 62.212 13.377 4.551 1.00 2.20 H new ATOM 903 N GLU A 59 66.792 10.364 8.721 1.00 0.70 N ATOM 904 CA GLU A 59 68.062 10.869 9.316 1.00 0.72 C ATOM 905 C GLU A 59 69.252 10.483 8.433 1.00 0.73 C ATOM 906 O GLU A 59 70.362 10.932 8.639 1.00 0.75 O ATOM 907 CB GLU A 59 68.162 10.181 10.678 1.00 0.75 C ATOM 908 CG GLU A 59 68.529 11.215 11.744 1.00 1.37 C ATOM 909 CD GLU A 59 70.036 11.478 11.704 1.00 1.66 C ATOM 910 OE1 GLU A 59 70.781 10.521 11.570 1.00 2.02 O ATOM 911 OE2 GLU A 59 70.419 12.631 11.807 1.00 2.42 O ATOM 0 H GLU A 59 66.329 9.624 9.249 1.00 0.70 H new ATOM 0 HA GLU A 59 68.072 11.955 9.405 1.00 0.72 H new ATOM 0 HB2 GLU A 59 67.214 9.706 10.928 1.00 0.75 H new ATOM 0 HB3 GLU A 59 68.915 9.393 10.645 1.00 0.75 H new ATOM 0 HG2 GLU A 59 67.983 12.142 11.570 1.00 1.37 H new ATOM 0 HG3 GLU A 59 68.238 10.854 12.731 1.00 1.37 H new ATOM 918 N MET A 60 69.030 9.655 7.448 1.00 0.79 N ATOM 919 CA MET A 60 70.151 9.244 6.554 1.00 0.84 C ATOM 920 C MET A 60 69.898 9.740 5.127 1.00 0.82 C ATOM 921 O MET A 60 70.775 10.281 4.483 1.00 0.96 O ATOM 922 CB MET A 60 70.156 7.716 6.598 1.00 0.93 C ATOM 923 CG MET A 60 70.002 7.243 8.045 1.00 1.27 C ATOM 924 SD MET A 60 71.116 5.849 8.347 1.00 1.65 S ATOM 925 CE MET A 60 69.846 4.631 8.767 1.00 0.97 C ATOM 0 H MET A 60 68.123 9.246 7.224 1.00 0.79 H new ATOM 0 HA MET A 60 71.106 9.662 6.871 1.00 0.84 H new ATOM 0 HB2 MET A 60 69.343 7.322 5.988 1.00 0.93 H new ATOM 0 HB3 MET A 60 71.086 7.333 6.177 1.00 0.93 H new ATOM 0 HG2 MET A 60 70.229 8.059 8.731 1.00 1.27 H new ATOM 0 HG3 MET A 60 68.971 6.945 8.234 1.00 1.27 H new ATOM 0 HE1 MET A 60 70.319 3.676 8.994 1.00 0.97 H new ATOM 0 HE2 MET A 60 69.286 4.974 9.637 1.00 0.97 H new ATOM 0 HE3 MET A 60 69.167 4.508 7.923 1.00 0.97 H new ATOM 935 N ILE A 61 68.705 9.561 4.630 1.00 0.76 N ATOM 936 CA ILE A 61 68.396 10.023 3.246 1.00 0.78 C ATOM 937 C ILE A 61 68.852 11.473 3.058 1.00 0.77 C ATOM 938 O ILE A 61 69.501 11.808 2.087 1.00 0.82 O ATOM 939 CB ILE A 61 66.875 9.921 3.126 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.470 8.449 3.015 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.408 10.672 1.877 1.00 0.89 C ATOM 942 CD1 ILE A 61 65.152 8.227 3.760 1.00 0.98 C ATOM 0 H ILE A 61 67.931 9.115 5.122 1.00 0.76 H new ATOM 0 HA ILE A 61 68.907 9.429 2.488 1.00 0.78 H new ATOM 0 HB ILE A 61 66.412 10.362 4.009 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.360 8.169 1.967 1.00 0.90 H new ATOM 0 HG13 ILE A 61 67.249 7.813 3.435 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.324 10.599 1.792 1.00 0.89 H new ATOM 0 HG22 ILE A 61 66.696 11.720 1.954 1.00 0.89 H new ATOM 0 HG23 ILE A 61 66.871 10.233 0.994 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.862 7.179 3.682 1.00 0.98 H new ATOM 0 HD12 ILE A 61 65.279 8.491 4.810 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.375 8.852 3.320 1.00 0.98 H new ATOM 954 N ASP A 62 68.514 12.334 3.977 1.00 0.82 N ATOM 955 CA ASP A 62 68.924 13.762 3.851 1.00 0.90 C ATOM 956 C ASP A 62 70.422 13.914 4.131 1.00 0.85 C ATOM 957 O ASP A 62 70.966 14.999 4.067 1.00 0.91 O ATOM 958 CB ASP A 62 68.103 14.504 4.906 1.00 1.03 C ATOM 959 CG ASP A 62 67.783 15.913 4.406 1.00 1.58 C ATOM 960 OD1 ASP A 62 67.774 16.106 3.201 1.00 2.06 O ATOM 961 OD2 ASP A 62 67.553 16.777 5.237 1.00 2.24 O ATOM 0 H ASP A 62 67.971 12.111 4.811 1.00 0.82 H new ATOM 0 HA ASP A 62 68.750 14.153 2.848 1.00 0.90 H new ATOM 0 HB2 ASP A 62 67.180 13.961 5.112 1.00 1.03 H new ATOM 0 HB3 ASP A 62 68.658 14.556 5.843 1.00 1.03 H new ATOM 966 N GLU A 63 71.094 12.838 4.442 1.00 0.84 N ATOM 967 CA GLU A 63 72.555 12.933 4.726 1.00 0.91 C ATOM 968 C GLU A 63 73.335 11.965 3.832 1.00 1.01 C ATOM 969 O GLU A 63 74.549 11.985 3.792 1.00 1.32 O ATOM 970 CB GLU A 63 72.700 12.542 6.198 1.00 0.99 C ATOM 971 CG GLU A 63 71.764 13.401 7.048 1.00 1.35 C ATOM 972 CD GLU A 63 72.566 14.090 8.155 1.00 1.55 C ATOM 973 OE1 GLU A 63 73.432 14.882 7.824 1.00 2.00 O ATOM 974 OE2 GLU A 63 72.299 13.813 9.313 1.00 2.14 O ATOM 0 H GLU A 63 70.696 11.901 4.511 1.00 0.84 H new ATOM 0 HA GLU A 63 72.949 13.930 4.529 1.00 0.91 H new ATOM 0 HB2 GLU A 63 72.462 11.486 6.330 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.732 12.679 6.522 1.00 0.99 H new ATOM 0 HG2 GLU A 63 71.271 14.146 6.424 1.00 1.35 H new ATOM 0 HG3 GLU A 63 70.980 12.781 7.484 1.00 1.35 H new ATOM 981 N VAL A 64 72.649 11.121 3.112 1.00 0.92 N ATOM 982 CA VAL A 64 73.354 10.158 2.220 1.00 1.07 C ATOM 983 C VAL A 64 72.927 10.380 0.768 1.00 1.13 C ATOM 984 O VAL A 64 73.717 10.269 -0.150 1.00 1.54 O ATOM 985 CB VAL A 64 72.920 8.773 2.713 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.534 8.429 2.160 1.00 2.24 C ATOM 987 CG2 VAL A 64 73.931 7.726 2.242 1.00 1.42 C ATOM 0 H VAL A 64 71.631 11.056 3.103 1.00 0.92 H new ATOM 0 HA VAL A 64 74.437 10.275 2.250 1.00 1.07 H new ATOM 0 HB VAL A 64 72.877 8.779 3.802 1.00 1.23 H new ATOM 0 HG11 VAL A 64 71.235 7.443 2.516 1.00 2.24 H new ATOM 0 HG12 VAL A 64 70.812 9.172 2.499 1.00 2.24 H new ATOM 0 HG13 VAL A 64 71.567 8.427 1.071 1.00 2.24 H new ATOM 0 HG21 VAL A 64 73.624 6.740 2.592 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.975 7.727 1.153 1.00 1.42 H new ATOM 0 HG23 VAL A 64 74.915 7.964 2.645 1.00 1.42 H new ATOM 997 N ASP A 65 71.680 10.695 0.556 1.00 1.00 N ATOM 998 CA ASP A 65 71.191 10.927 -0.834 1.00 1.14 C ATOM 999 C ASP A 65 71.439 12.380 -1.246 1.00 1.45 C ATOM 1000 O ASP A 65 70.544 13.201 -1.234 1.00 1.74 O ATOM 1001 CB ASP A 65 69.692 10.633 -0.780 1.00 1.21 C ATOM 1002 CG ASP A 65 69.459 9.132 -0.964 1.00 2.09 C ATOM 1003 OD1 ASP A 65 69.913 8.600 -1.964 1.00 2.63 O ATOM 1004 OD2 ASP A 65 68.831 8.540 -0.102 1.00 2.83 O ATOM 0 H ASP A 65 70.976 10.802 1.286 1.00 1.00 H new ATOM 0 HA ASP A 65 71.703 10.299 -1.563 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.280 10.961 0.174 1.00 1.21 H new ATOM 0 HB3 ASP A 65 69.173 11.191 -1.560 1.00 1.21 H new ATOM 1043 N SER A 69 67.609 13.573 -3.838 1.00 1.42 N ATOM 1044 CA SER A 69 66.583 14.619 -3.563 1.00 1.79 C ATOM 1045 C SER A 69 65.258 13.972 -3.156 1.00 1.42 C ATOM 1046 O SER A 69 64.203 14.561 -3.286 1.00 1.97 O ATOM 1047 CB SER A 69 66.426 15.377 -4.879 1.00 2.79 C ATOM 1048 OG SER A 69 65.535 16.467 -4.689 1.00 3.72 O ATOM 0 HA SER A 69 66.877 15.277 -2.745 1.00 1.79 H new ATOM 0 HB2 SER A 69 67.395 15.740 -5.221 1.00 2.79 H new ATOM 0 HB3 SER A 69 66.044 14.711 -5.653 1.00 2.79 H new ATOM 0 HG SER A 69 64.730 16.155 -4.225 1.00 3.72 H new ATOM 1054 N GLY A 70 65.302 12.765 -2.663 1.00 1.01 N ATOM 1055 CA GLY A 70 64.044 12.084 -2.247 1.00 1.07 C ATOM 1056 C GLY A 70 63.865 10.799 -3.057 1.00 0.84 C ATOM 1057 O GLY A 70 62.772 10.285 -3.188 1.00 0.87 O ATOM 0 H GLY A 70 66.155 12.221 -2.530 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.078 11.853 -1.182 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.192 12.746 -2.402 1.00 1.07 H new ATOM 1061 N THR A 71 64.928 10.275 -3.602 1.00 0.70 N ATOM 1062 CA THR A 71 64.813 9.022 -4.403 1.00 0.55 C ATOM 1063 C THR A 71 66.111 8.214 -4.318 1.00 0.54 C ATOM 1064 O THR A 71 67.189 8.726 -4.548 1.00 0.72 O ATOM 1065 CB THR A 71 64.564 9.491 -5.838 1.00 0.60 C ATOM 1066 OG1 THR A 71 65.712 10.179 -6.316 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.357 10.429 -5.870 1.00 0.81 C ATOM 0 H THR A 71 65.870 10.659 -3.528 1.00 0.70 H new ATOM 0 HA THR A 71 64.015 8.374 -4.041 1.00 0.55 H new ATOM 0 HB THR A 71 64.366 8.627 -6.472 1.00 0.60 H new ATOM 0 HG1 THR A 71 66.506 9.863 -5.837 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.182 10.762 -6.893 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.476 9.901 -5.504 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.551 11.294 -5.236 1.00 0.81 H new ATOM 1075 N VAL A 72 66.016 6.954 -3.992 1.00 0.52 N ATOM 1076 CA VAL A 72 67.246 6.111 -3.894 1.00 0.65 C ATOM 1077 C VAL A 72 67.326 5.131 -5.063 1.00 0.56 C ATOM 1078 O VAL A 72 66.355 4.872 -5.745 1.00 0.57 O ATOM 1079 CB VAL A 72 67.135 5.331 -2.578 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.653 6.191 -1.433 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.678 4.943 -2.305 1.00 1.23 C ATOM 0 H VAL A 72 65.141 6.470 -3.789 1.00 0.52 H new ATOM 0 HA VAL A 72 68.141 6.733 -3.923 1.00 0.65 H new ATOM 0 HB VAL A 72 67.732 4.422 -2.658 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.574 5.637 -0.498 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.696 6.449 -1.615 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.060 7.103 -1.366 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.618 4.390 -1.367 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.069 5.844 -2.235 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.309 4.318 -3.119 1.00 1.23 H new ATOM 1091 N ASP A 73 68.483 4.574 -5.279 1.00 0.64 N ATOM 1092 CA ASP A 73 68.651 3.590 -6.382 1.00 0.70 C ATOM 1093 C ASP A 73 69.210 2.289 -5.805 1.00 0.70 C ATOM 1094 O ASP A 73 69.372 2.154 -4.609 1.00 0.71 O ATOM 1095 CB ASP A 73 69.653 4.232 -7.340 1.00 0.85 C ATOM 1096 CG ASP A 73 70.832 4.796 -6.544 1.00 1.25 C ATOM 1097 OD1 ASP A 73 71.293 4.114 -5.645 1.00 1.91 O ATOM 1098 OD2 ASP A 73 71.252 5.900 -6.849 1.00 1.72 O ATOM 0 H ASP A 73 69.326 4.760 -4.735 1.00 0.64 H new ATOM 0 HA ASP A 73 67.715 3.352 -6.888 1.00 0.70 H new ATOM 0 HB2 ASP A 73 70.007 3.495 -8.061 1.00 0.85 H new ATOM 0 HB3 ASP A 73 69.171 5.027 -7.908 1.00 0.85 H new ATOM 1103 N PHE A 74 69.507 1.331 -6.633 1.00 0.81 N ATOM 1104 CA PHE A 74 70.056 0.052 -6.104 1.00 0.87 C ATOM 1105 C PHE A 74 71.416 0.301 -5.448 1.00 0.76 C ATOM 1106 O PHE A 74 71.895 -0.495 -4.665 1.00 0.74 O ATOM 1107 CB PHE A 74 70.201 -0.856 -7.324 1.00 1.04 C ATOM 1108 CG PHE A 74 70.176 -2.298 -6.882 1.00 1.34 C ATOM 1109 CD1 PHE A 74 69.052 -2.808 -6.223 1.00 2.16 C ATOM 1110 CD2 PHE A 74 71.277 -3.125 -7.133 1.00 2.11 C ATOM 1111 CE1 PHE A 74 69.029 -4.146 -5.813 1.00 3.14 C ATOM 1112 CE2 PHE A 74 71.253 -4.464 -6.724 1.00 3.02 C ATOM 1113 CZ PHE A 74 70.130 -4.974 -6.064 1.00 3.42 C ATOM 0 H PHE A 74 69.395 1.375 -7.646 1.00 0.81 H new ATOM 0 HA PHE A 74 69.413 -0.395 -5.346 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.392 -0.667 -8.030 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.135 -0.640 -7.843 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.202 -2.169 -6.031 1.00 2.16 H new ATOM 0 HD2 PHE A 74 72.144 -2.731 -7.642 1.00 2.11 H new ATOM 0 HE1 PHE A 74 68.162 -4.540 -5.303 1.00 3.14 H new ATOM 0 HE2 PHE A 74 72.102 -5.103 -6.918 1.00 3.02 H new ATOM 0 HZ PHE A 74 70.112 -6.007 -5.748 1.00 3.42 H new ATOM 1123 N ASP A 75 72.039 1.402 -5.762 1.00 0.79 N ATOM 1124 CA ASP A 75 73.367 1.710 -5.157 1.00 0.78 C ATOM 1125 C ASP A 75 73.186 2.284 -3.748 1.00 0.71 C ATOM 1126 O ASP A 75 73.888 1.919 -2.826 1.00 0.67 O ATOM 1127 CB ASP A 75 73.993 2.751 -6.084 1.00 0.96 C ATOM 1128 CG ASP A 75 74.085 2.183 -7.503 1.00 1.50 C ATOM 1129 OD1 ASP A 75 73.122 1.577 -7.940 1.00 2.18 O ATOM 1130 OD2 ASP A 75 75.118 2.365 -8.127 1.00 1.99 O ATOM 0 H ASP A 75 71.686 2.104 -6.413 1.00 0.79 H new ATOM 0 HA ASP A 75 73.993 0.823 -5.060 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.393 3.661 -6.084 1.00 0.96 H new ATOM 0 HB3 ASP A 75 74.986 3.023 -5.725 1.00 0.96 H new ATOM 1135 N GLU A 76 72.250 3.178 -3.573 1.00 0.74 N ATOM 1136 CA GLU A 76 72.029 3.772 -2.224 1.00 0.72 C ATOM 1137 C GLU A 76 71.197 2.821 -1.359 1.00 0.61 C ATOM 1138 O GLU A 76 71.579 2.475 -0.258 1.00 0.60 O ATOM 1139 CB GLU A 76 71.263 5.068 -2.483 1.00 0.82 C ATOM 1140 CG GLU A 76 72.224 6.129 -3.025 1.00 0.96 C ATOM 1141 CD GLU A 76 72.946 6.808 -1.859 1.00 1.36 C ATOM 1142 OE1 GLU A 76 72.765 6.364 -0.737 1.00 2.01 O ATOM 1143 OE2 GLU A 76 73.667 7.760 -2.109 1.00 2.14 O ATOM 0 H GLU A 76 71.630 3.522 -4.306 1.00 0.74 H new ATOM 0 HA GLU A 76 72.964 3.950 -1.693 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.459 4.891 -3.197 1.00 0.82 H new ATOM 0 HB3 GLU A 76 70.799 5.419 -1.561 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.949 5.669 -3.697 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.675 6.869 -3.607 1.00 0.96 H new ATOM 1150 N PHE A 77 70.064 2.397 -1.846 1.00 0.60 N ATOM 1151 CA PHE A 77 69.212 1.471 -1.047 1.00 0.54 C ATOM 1152 C PHE A 77 70.072 0.384 -0.395 1.00 0.48 C ATOM 1153 O PHE A 77 70.069 0.214 0.807 1.00 0.55 O ATOM 1154 CB PHE A 77 68.242 0.854 -2.055 1.00 0.61 C ATOM 1155 CG PHE A 77 67.471 -0.259 -1.390 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.658 0.017 -0.285 1.00 1.52 C ATOM 1157 CD2 PHE A 77 67.571 -1.569 -1.877 1.00 1.30 C ATOM 1158 CE1 PHE A 77 65.944 -1.017 0.334 1.00 1.78 C ATOM 1159 CE2 PHE A 77 66.857 -2.602 -1.258 1.00 1.38 C ATOM 1160 CZ PHE A 77 66.044 -2.326 -0.153 1.00 1.25 C ATOM 0 H PHE A 77 69.691 2.651 -2.761 1.00 0.60 H new ATOM 0 HA PHE A 77 68.690 1.986 -0.241 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.556 1.614 -2.429 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.790 0.469 -2.915 1.00 0.61 H new ATOM 0 HD1 PHE A 77 66.581 1.027 0.090 1.00 1.52 H new ATOM 0 HD2 PHE A 77 68.199 -1.782 -2.730 1.00 1.30 H new ATOM 0 HE1 PHE A 77 65.316 -0.805 1.187 1.00 1.78 H new ATOM 0 HE2 PHE A 77 66.934 -3.612 -1.633 1.00 1.38 H new ATOM 0 HZ PHE A 77 65.493 -3.123 0.324 1.00 1.25 H new ATOM 1170 N LEU A 78 70.805 -0.357 -1.181 1.00 0.46 N ATOM 1171 CA LEU A 78 71.660 -1.435 -0.607 1.00 0.49 C ATOM 1172 C LEU A 78 72.495 -0.893 0.556 1.00 0.48 C ATOM 1173 O LEU A 78 72.542 -1.473 1.622 1.00 0.54 O ATOM 1174 CB LEU A 78 72.564 -1.878 -1.758 1.00 0.56 C ATOM 1175 CG LEU A 78 71.957 -3.104 -2.441 1.00 0.78 C ATOM 1176 CD1 LEU A 78 70.634 -2.718 -3.105 1.00 1.70 C ATOM 1177 CD2 LEU A 78 72.926 -3.628 -3.504 1.00 0.70 C ATOM 0 H LEU A 78 70.849 -0.262 -2.196 1.00 0.46 H new ATOM 0 HA LEU A 78 71.069 -2.261 -0.211 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.678 -1.067 -2.477 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.560 -2.114 -1.382 1.00 0.56 H new ATOM 0 HG LEU A 78 71.777 -3.880 -1.697 1.00 0.78 H new ATOM 0 HD11 LEU A 78 70.202 -3.593 -3.592 1.00 1.70 H new ATOM 0 HD12 LEU A 78 69.943 -2.345 -2.349 1.00 1.70 H new ATOM 0 HD13 LEU A 78 70.813 -1.941 -3.848 1.00 1.70 H new ATOM 0 HD21 LEU A 78 72.494 -4.502 -3.991 1.00 0.70 H new ATOM 0 HD22 LEU A 78 73.106 -2.851 -4.247 1.00 0.70 H new ATOM 0 HD23 LEU A 78 73.869 -3.905 -3.032 1.00 0.70 H new ATOM 1189 N VAL A 79 73.158 0.213 0.357 1.00 0.46 N ATOM 1190 CA VAL A 79 73.991 0.790 1.452 1.00 0.51 C ATOM 1191 C VAL A 79 73.121 1.116 2.668 1.00 0.53 C ATOM 1192 O VAL A 79 73.497 0.872 3.796 1.00 0.64 O ATOM 1193 CB VAL A 79 74.590 2.068 0.863 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.506 2.726 1.896 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.400 1.721 -0.388 1.00 0.62 C ATOM 0 H VAL A 79 73.160 0.742 -0.515 1.00 0.46 H new ATOM 0 HA VAL A 79 74.761 0.097 1.792 1.00 0.51 H new ATOM 0 HB VAL A 79 73.788 2.757 0.598 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.933 3.637 1.476 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.930 2.973 2.788 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.309 2.038 2.161 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.827 2.631 -0.809 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.202 1.032 -0.123 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.748 1.252 -1.125 1.00 0.62 H new ATOM 1205 N MET A 80 71.958 1.667 2.448 1.00 0.52 N ATOM 1206 CA MET A 80 71.068 2.008 3.594 1.00 0.60 C ATOM 1207 C MET A 80 70.700 0.742 4.373 1.00 0.62 C ATOM 1208 O MET A 80 70.568 0.761 5.581 1.00 0.71 O ATOM 1209 CB MET A 80 69.824 2.630 2.959 1.00 0.66 C ATOM 1210 CG MET A 80 69.787 4.127 3.270 1.00 1.11 C ATOM 1211 SD MET A 80 68.075 4.646 3.543 1.00 1.23 S ATOM 1212 CE MET A 80 67.922 5.700 2.079 1.00 0.86 C ATOM 0 H MET A 80 71.586 1.895 1.526 1.00 0.52 H new ATOM 0 HA MET A 80 71.546 2.687 4.301 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.835 2.472 1.881 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.926 2.146 3.343 1.00 0.66 H new ATOM 0 HG2 MET A 80 70.388 4.340 4.154 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.222 4.691 2.445 1.00 1.11 H new ATOM 0 HE1 MET A 80 66.870 5.917 1.896 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.462 6.632 2.244 1.00 0.86 H new ATOM 0 HE3 MET A 80 68.342 5.186 1.215 1.00 0.86 H new ATOM 1222 N MET A 81 70.533 -0.358 3.691 1.00 0.61 N ATOM 1223 CA MET A 81 70.175 -1.624 4.394 1.00 0.72 C ATOM 1224 C MET A 81 71.369 -2.128 5.208 1.00 0.79 C ATOM 1225 O MET A 81 71.220 -2.613 6.312 1.00 0.91 O ATOM 1226 CB MET A 81 69.827 -2.611 3.281 1.00 0.75 C ATOM 1227 CG MET A 81 68.355 -3.013 3.397 1.00 1.01 C ATOM 1228 SD MET A 81 68.147 -4.140 4.797 1.00 1.71 S ATOM 1229 CE MET A 81 68.803 -5.624 3.996 1.00 1.66 C ATOM 0 H MET A 81 70.629 -0.436 2.678 1.00 0.61 H new ATOM 0 HA MET A 81 69.348 -1.492 5.091 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.016 -2.159 2.307 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.463 -3.494 3.351 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.735 -2.127 3.534 1.00 1.01 H new ATOM 0 HG3 MET A 81 68.025 -3.494 2.477 1.00 1.01 H new ATOM 0 HE1 MET A 81 68.019 -6.378 3.930 1.00 1.66 H new ATOM 0 HE2 MET A 81 69.151 -5.373 2.994 1.00 1.66 H new ATOM 0 HE3 MET A 81 69.635 -6.016 4.581 1.00 1.66 H new ATOM 1239 N VAL A 82 72.553 -2.018 4.670 1.00 0.78 N ATOM 1240 CA VAL A 82 73.756 -2.491 5.412 1.00 0.90 C ATOM 1241 C VAL A 82 73.986 -1.619 6.651 1.00 0.94 C ATOM 1242 O VAL A 82 74.444 -2.086 7.674 1.00 1.13 O ATOM 1243 CB VAL A 82 74.913 -2.345 4.419 1.00 0.98 C ATOM 1244 CG1 VAL A 82 76.246 -2.326 5.172 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.896 -3.526 3.447 1.00 1.38 C ATOM 0 H VAL A 82 72.739 -1.621 3.749 1.00 0.78 H new ATOM 0 HA VAL A 82 73.653 -3.517 5.765 1.00 0.90 H new ATOM 0 HB VAL A 82 74.799 -1.411 3.868 1.00 0.98 H new ATOM 0 HG11 VAL A 82 77.065 -2.222 4.460 1.00 1.83 H new ATOM 0 HG12 VAL A 82 76.260 -1.486 5.866 1.00 1.83 H new ATOM 0 HG13 VAL A 82 76.364 -3.257 5.727 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.718 -3.426 2.738 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.008 -4.457 4.003 1.00 1.38 H new ATOM 0 HG23 VAL A 82 73.950 -3.538 2.906 1.00 1.38 H new ATOM 1255 N ARG A 83 73.669 -0.356 6.568 1.00 0.84 N ATOM 1256 CA ARG A 83 73.868 0.540 7.742 1.00 0.93 C ATOM 1257 C ARG A 83 72.985 0.083 8.906 1.00 0.93 C ATOM 1258 O ARG A 83 73.455 -0.137 10.004 1.00 1.23 O ATOM 1259 CB ARG A 83 73.446 1.929 7.261 1.00 0.95 C ATOM 1260 CG ARG A 83 74.097 2.996 8.141 1.00 1.53 C ATOM 1261 CD ARG A 83 75.565 3.161 7.742 1.00 1.50 C ATOM 1262 NE ARG A 83 76.336 2.869 8.983 1.00 1.75 N ATOM 1263 CZ ARG A 83 77.616 3.121 9.031 1.00 2.02 C ATOM 1264 NH1 ARG A 83 78.041 4.352 8.946 1.00 2.58 N ATOM 1265 NH2 ARG A 83 78.469 2.143 9.164 1.00 2.44 N ATOM 0 H ARG A 83 73.281 0.094 5.739 1.00 0.84 H new ATOM 0 HA ARG A 83 74.898 0.531 8.099 1.00 0.93 H new ATOM 0 HB2 ARG A 83 73.742 2.070 6.222 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.361 2.024 7.299 1.00 0.95 H new ATOM 0 HG2 ARG A 83 73.571 3.944 8.031 1.00 1.53 H new ATOM 0 HG3 ARG A 83 74.024 2.711 9.191 1.00 1.53 H new ATOM 0 HD2 ARG A 83 75.835 2.476 6.939 1.00 1.50 H new ATOM 0 HD3 ARG A 83 75.765 4.170 7.381 1.00 1.50 H new ATOM 0 HE ARG A 83 75.864 2.472 9.795 1.00 1.75 H new ATOM 0 HH11 ARG A 83 77.373 5.116 8.842 1.00 2.58 H new ATOM 0 HH12 ARG A 83 79.041 4.550 8.983 1.00 2.58 H new ATOM 0 HH21 ARG A 83 78.136 1.181 9.230 1.00 2.44 H new ATOM 0 HH22 ARG A 83 79.469 2.340 9.201 1.00 2.44 H new ATOM 1279 N CYS A 84 71.709 -0.063 8.673 1.00 0.81 N ATOM 1280 CA CYS A 84 70.799 -0.509 9.767 1.00 0.94 C ATOM 1281 C CYS A 84 71.270 -1.856 10.324 1.00 1.01 C ATOM 1282 O CYS A 84 71.933 -1.921 11.340 1.00 1.67 O ATOM 1283 CB CYS A 84 69.428 -0.651 9.108 1.00 1.20 C ATOM 1284 SG CYS A 84 68.252 -1.333 10.302 1.00 1.56 S ATOM 0 H CYS A 84 71.258 0.107 7.774 1.00 0.81 H new ATOM 0 HA CYS A 84 70.778 0.192 10.601 1.00 0.94 H new ATOM 0 HB2 CYS A 84 69.081 0.320 8.753 1.00 1.20 H new ATOM 0 HB3 CYS A 84 69.497 -1.303 8.237 1.00 1.20 H new ATOM 0 HG CYS A 84 67.085 -1.452 9.742 1.00 1.56 H new ATOM 1290 N MET A 85 70.936 -2.931 9.663 1.00 1.25 N ATOM 1291 CA MET A 85 71.366 -4.272 10.153 1.00 1.43 C ATOM 1292 C MET A 85 71.195 -4.362 11.672 1.00 1.78 C ATOM 1293 O MET A 85 72.089 -4.776 12.383 1.00 2.66 O ATOM 1294 CB MET A 85 72.843 -4.374 9.773 1.00 1.49 C ATOM 1295 CG MET A 85 72.969 -4.809 8.312 1.00 1.71 C ATOM 1296 SD MET A 85 74.429 -5.859 8.118 1.00 1.93 S ATOM 1297 CE MET A 85 74.540 -5.764 6.315 1.00 1.59 C ATOM 0 H MET A 85 70.384 -2.939 8.805 1.00 1.25 H new ATOM 0 HA MET A 85 70.775 -5.079 9.720 1.00 1.43 H new ATOM 0 HB2 MET A 85 73.334 -3.412 9.920 1.00 1.49 H new ATOM 0 HB3 MET A 85 73.347 -5.091 10.421 1.00 1.49 H new ATOM 0 HG2 MET A 85 72.075 -5.351 8.005 1.00 1.71 H new ATOM 0 HG3 MET A 85 73.049 -3.934 7.667 1.00 1.71 H new ATOM 0 HE1 MET A 85 74.910 -6.711 5.923 1.00 1.59 H new ATOM 0 HE2 MET A 85 73.553 -5.560 5.900 1.00 1.59 H new ATOM 0 HE3 MET A 85 75.224 -4.963 6.034 1.00 1.59 H new