USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 548 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 49 GLN : amide:sc= 1.54 K(o=3.2,f=-1.4) USER MOD Set 1.2: A 57 ASN : amide:sc= 1.68 K(o=3.2,f=0.82) USER MOD Set 2.1: A 39 HIS : no HE2:sc= -0.925 K(o=-0.85,f=-4.3!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.0753 K(o=-0.85,f=-4.4!) USER MOD Set 3.1: A 21 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 33 THR OG1 : rot -139:sc= 0.69 USER MOD Set 4.1: A 15 HIS : no HE2:sc= -0.222 K(o=0.2,f=-4.9!) USER MOD Set 4.2: A 20 SER OG : rot -21:sc= 0.426 USER MOD Single : A 6 TYR OH : rot -120:sc= 1.27 USER MOD Single : A 7 TYR OH : rot 137:sc= 1.12 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 13 GLN : amide:sc= -1.84 K(o=-1.8,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 2.43 (180deg=2.22) USER MOD Single : A 16 ASN : amide:sc= 0.277 K(o=0.28,f=-6.6!) USER MOD Single : A 26 HIS : no HD1:sc= -0.515 X(o=-0.51,f=-0.61) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 2.03 (180deg=1.48) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0.8 (180deg=0.518) USER MOD Single : A 55 THR OG1 : rot 6:sc= 1.63 USER MOD Single : A 61 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.4!) USER MOD Single : A 64 SER OG : rot -141:sc= 1.1 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -59:sc= 1.22 USER MOD Single : A 72 LYS NZ :NH3+ -132:sc= 0.811 (180deg=-3.75!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0793 USER MOD Single : A 80 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -7.603 13.545 -1.013 1.00 10.00 N ATOM 52 CA TYR A 6 -8.304 12.290 -0.900 1.00 10.00 C ATOM 53 C TYR A 6 -8.486 11.640 -2.263 1.00 10.00 C ATOM 54 O TYR A 6 -8.424 12.255 -3.324 1.00 10.00 O ATOM 55 CB TYR A 6 -9.628 12.389 -0.142 1.00 10.00 C ATOM 56 CG TYR A 6 -9.582 12.308 1.364 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.458 13.453 2.168 1.00 10.00 C ATOM 58 CD2 TYR A 6 -9.743 11.053 1.964 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.365 13.313 3.566 1.00 10.00 C ATOM 60 CE2 TYR A 6 -9.634 10.907 3.350 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.416 12.036 4.154 1.00 10.00 C ATOM 62 OH TYR A 6 -9.118 11.881 5.474 1.00 10.00 O ATOM 0 HA TYR A 6 -7.670 11.645 -0.292 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.100 13.334 -0.413 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.280 11.593 -0.501 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -9.434 14.434 1.717 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -9.953 10.190 1.350 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.254 14.188 4.189 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -9.717 9.929 3.800 1.00 10.00 H new ATOM 0 HH TYR A 6 -8.355 11.273 5.568 1.00 10.00 H new ATOM 72 N TYR A 7 -8.616 10.328 -2.159 1.00 10.00 N ATOM 73 CA TYR A 7 -8.541 9.362 -3.211 1.00 10.00 C ATOM 74 C TYR A 7 -9.653 8.346 -2.966 1.00 10.00 C ATOM 75 O TYR A 7 -9.854 7.861 -1.852 1.00 10.00 O ATOM 76 CB TYR A 7 -7.151 8.748 -3.071 1.00 10.00 C ATOM 77 CG TYR A 7 -6.016 9.267 -3.947 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.159 10.356 -4.836 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.723 8.808 -3.649 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.025 11.053 -5.292 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.600 9.533 -4.067 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.752 10.700 -4.820 1.00 10.00 C ATOM 83 OH TYR A 7 -2.714 11.588 -4.889 1.00 10.00 O ATOM 0 H TYR A 7 -8.791 9.888 -1.256 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.673 9.762 -4.216 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.844 8.866 -2.032 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.245 7.678 -3.256 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.143 10.655 -5.167 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.594 7.890 -3.094 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.134 11.858 -6.004 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.611 9.188 -3.806 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.210 11.568 -4.049 1.00 10.00 H new ATOM 93 N THR A 8 -10.425 8.077 -4.008 1.00 10.00 N ATOM 94 CA THR A 8 -11.632 7.282 -3.906 1.00 10.00 C ATOM 95 C THR A 8 -11.273 5.801 -3.972 1.00 10.00 C ATOM 96 O THR A 8 -10.279 5.420 -4.588 1.00 10.00 O ATOM 97 CB THR A 8 -12.604 7.672 -5.025 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.951 7.541 -6.269 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.077 9.116 -4.844 1.00 10.00 C ATOM 0 H THR A 8 -10.227 8.408 -4.952 1.00 10.00 H new ATOM 0 HA THR A 8 -12.123 7.472 -2.952 1.00 10.00 H new ATOM 0 HB THR A 8 -13.473 7.015 -4.988 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.568 7.787 -6.990 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.766 9.376 -5.647 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.584 9.215 -3.884 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.218 9.786 -4.872 1.00 10.00 H new ATOM 107 N LEU A 9 -12.099 4.951 -3.365 1.00 10.00 N ATOM 108 CA LEU A 9 -11.930 3.510 -3.457 1.00 10.00 C ATOM 109 C LEU A 9 -11.931 3.054 -4.915 1.00 10.00 C ATOM 110 O LEU A 9 -11.157 2.167 -5.252 1.00 10.00 O ATOM 111 CB LEU A 9 -12.930 2.835 -2.521 1.00 10.00 C ATOM 112 CG LEU A 9 -13.037 1.300 -2.487 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.757 0.701 -3.700 1.00 10.00 C ATOM 114 CD2 LEU A 9 -11.677 0.641 -2.230 1.00 10.00 C ATOM 0 H LEU A 9 -12.897 5.243 -2.801 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.949 3.191 -3.104 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.701 3.166 -1.508 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.918 3.223 -2.768 1.00 10.00 H new ATOM 0 HG LEU A 9 -13.678 1.068 -1.637 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.792 -0.384 -3.603 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -14.772 1.094 -3.751 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -13.219 0.967 -4.610 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -11.795 -0.442 -2.213 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.983 0.918 -3.023 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -11.285 0.978 -1.270 1.00 10.00 H new ATOM 126 N GLU A 10 -12.697 3.710 -5.799 1.00 10.00 N ATOM 127 CA GLU A 10 -12.539 3.511 -7.238 1.00 10.00 C ATOM 128 C GLU A 10 -11.063 3.586 -7.614 1.00 10.00 C ATOM 129 O GLU A 10 -10.500 2.623 -8.133 1.00 10.00 O ATOM 130 CB GLU A 10 -13.304 4.563 -8.058 1.00 10.00 C ATOM 131 CG GLU A 10 -13.069 4.306 -9.560 1.00 10.00 C ATOM 132 CD GLU A 10 -13.731 5.317 -10.480 1.00 10.00 C ATOM 133 OE1 GLU A 10 -14.820 5.808 -10.118 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.106 5.579 -11.535 1.00 10.00 O ATOM 0 H GLU A 10 -13.425 4.376 -5.541 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.949 2.528 -7.470 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.369 4.514 -7.831 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.967 5.565 -7.791 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -11.996 4.305 -9.753 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -13.438 3.311 -9.808 1.00 10.00 H new ATOM 141 N GLU A 11 -10.456 4.753 -7.388 1.00 10.00 N ATOM 142 CA GLU A 11 -9.077 4.969 -7.782 1.00 10.00 C ATOM 143 C GLU A 11 -8.197 3.931 -7.145 1.00 10.00 C ATOM 144 O GLU A 11 -7.305 3.383 -7.785 1.00 10.00 O ATOM 145 CB GLU A 11 -8.542 6.343 -7.359 1.00 10.00 C ATOM 146 CG GLU A 11 -9.094 7.512 -8.182 1.00 10.00 C ATOM 147 CD GLU A 11 -8.788 7.380 -9.668 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.670 6.933 -9.992 1.00 10.00 O ATOM 149 OE2 GLU A 11 -9.700 7.671 -10.473 1.00 10.00 O ATOM 0 H GLU A 11 -10.900 5.553 -6.937 1.00 10.00 H new ATOM 0 HA GLU A 11 -9.059 4.906 -8.870 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.783 6.507 -6.309 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.455 6.338 -7.439 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.173 7.573 -8.041 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.671 8.445 -7.810 1.00 10.00 H new ATOM 156 N ILE A 12 -8.421 3.699 -5.861 1.00 10.00 N ATOM 157 CA ILE A 12 -7.506 2.884 -5.121 1.00 10.00 C ATOM 158 C ILE A 12 -7.538 1.468 -5.695 1.00 10.00 C ATOM 159 O ILE A 12 -6.485 0.928 -6.026 1.00 10.00 O ATOM 160 CB ILE A 12 -7.826 3.009 -3.620 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.601 4.448 -3.111 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.969 2.053 -2.800 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.450 4.800 -1.888 1.00 10.00 C ATOM 0 H ILE A 12 -9.214 4.060 -5.330 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.471 3.213 -5.219 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.878 2.752 -3.498 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.548 4.577 -2.862 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.827 5.149 -3.915 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.214 2.160 -1.743 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.164 1.028 -3.115 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.915 2.286 -2.954 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.242 5.826 -1.583 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.506 4.703 -2.138 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.208 4.122 -1.070 1.00 10.00 H new ATOM 175 N GLN A 13 -8.736 0.918 -5.910 1.00 10.00 N ATOM 176 CA GLN A 13 -8.889 -0.380 -6.567 1.00 10.00 C ATOM 177 C GLN A 13 -8.225 -0.367 -7.947 1.00 10.00 C ATOM 178 O GLN A 13 -7.430 -1.239 -8.296 1.00 10.00 O ATOM 179 CB GLN A 13 -10.379 -0.720 -6.731 1.00 10.00 C ATOM 180 CG GLN A 13 -11.001 -1.240 -5.430 1.00 10.00 C ATOM 181 CD GLN A 13 -10.732 -2.723 -5.179 1.00 10.00 C ATOM 182 OE1 GLN A 13 -11.465 -3.287 -4.339 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.846 -3.279 -5.864 1.00 10.00 N ATOM 0 H GLN A 13 -9.616 1.355 -5.637 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.408 -1.133 -5.943 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.918 0.168 -7.060 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.495 -1.471 -7.513 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.611 -0.661 -4.593 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -12.078 -1.073 -5.459 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.296 -2.733 -6.527 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.673 -4.279 -5.760 1.00 10.00 H new ATOM 190 N LYS A 14 -8.575 0.645 -8.740 1.00 10.00 N ATOM 191 CA LYS A 14 -8.097 0.852 -10.100 1.00 10.00 C ATOM 192 C LYS A 14 -6.560 0.875 -10.122 1.00 10.00 C ATOM 193 O LYS A 14 -5.927 0.357 -11.044 1.00 10.00 O ATOM 194 CB LYS A 14 -8.779 2.132 -10.610 1.00 10.00 C ATOM 195 CG LYS A 14 -8.429 2.610 -12.022 1.00 10.00 C ATOM 196 CD LYS A 14 -9.494 3.582 -12.574 1.00 10.00 C ATOM 197 CE LYS A 14 -9.601 4.827 -11.681 1.00 10.00 C ATOM 198 NZ LYS A 14 -10.566 5.848 -12.138 1.00 10.00 N ATOM 0 H LYS A 14 -9.225 1.370 -8.437 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.360 0.039 -10.777 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.857 1.978 -10.565 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -8.543 2.938 -9.915 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -7.457 3.103 -12.009 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.341 1.750 -12.686 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.233 3.878 -13.590 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -10.460 3.080 -12.626 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -9.880 4.511 -10.676 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -8.616 5.288 -11.608 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -10.506 6.683 -11.521 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -10.343 6.123 -13.116 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.529 5.457 -12.099 1.00 10.00 H new ATOM 212 N HIS A 15 -5.937 1.420 -9.077 1.00 10.00 N ATOM 213 CA HIS A 15 -4.505 1.366 -8.849 1.00 10.00 C ATOM 214 C HIS A 15 -4.068 0.022 -8.255 1.00 10.00 C ATOM 215 O HIS A 15 -3.428 -0.070 -7.205 1.00 10.00 O ATOM 216 CB HIS A 15 -4.082 2.553 -7.999 1.00 10.00 C ATOM 217 CG HIS A 15 -3.810 3.789 -8.803 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.558 4.294 -9.046 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.709 4.527 -9.521 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.692 5.345 -9.868 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.972 5.465 -10.257 1.00 10.00 N ATOM 0 H HIS A 15 -6.437 1.926 -8.346 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.991 1.437 -9.807 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.864 2.766 -7.270 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -3.186 2.288 -7.437 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.681 3.934 -8.669 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.783 4.410 -9.521 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.888 5.999 -10.173 1.00 10.00 H new ATOM 229 N ASN A 16 -4.321 -1.022 -9.033 1.00 10.00 N ATOM 230 CA ASN A 16 -3.772 -2.354 -8.846 1.00 10.00 C ATOM 231 C ASN A 16 -3.454 -2.913 -10.228 1.00 10.00 C ATOM 232 O ASN A 16 -4.261 -3.613 -10.841 1.00 10.00 O ATOM 233 CB ASN A 16 -4.723 -3.266 -8.058 1.00 10.00 C ATOM 234 CG ASN A 16 -4.066 -4.624 -7.794 1.00 10.00 C ATOM 235 OD1 ASN A 16 -3.131 -5.022 -8.484 1.00 10.00 O ATOM 236 ND2 ASN A 16 -4.488 -5.334 -6.759 1.00 10.00 N ATOM 0 H ASN A 16 -4.939 -0.959 -9.842 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.864 -2.303 -8.245 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -4.989 -2.794 -7.112 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -5.649 -3.405 -8.616 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -4.036 -6.219 -6.529 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.265 -4.996 -6.191 1.00 10.00 H new ATOM 290 N SER A 20 1.376 1.665 -10.606 1.00 10.00 N ATOM 291 CA SER A 20 1.258 2.666 -9.553 1.00 10.00 C ATOM 292 C SER A 20 0.352 2.024 -8.507 1.00 10.00 C ATOM 293 O SER A 20 -0.862 2.211 -8.543 1.00 10.00 O ATOM 294 CB SER A 20 0.713 3.993 -10.116 1.00 10.00 C ATOM 295 OG SER A 20 -0.143 3.815 -11.240 1.00 10.00 O ATOM 0 HA SER A 20 2.215 2.938 -9.109 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.167 4.517 -9.331 1.00 10.00 H new ATOM 0 HB3 SER A 20 1.550 4.630 -10.402 1.00 10.00 H new ATOM 0 HG SER A 20 0.031 2.941 -11.649 1.00 10.00 H new ATOM 301 N THR A 21 0.929 1.138 -7.699 1.00 10.00 N ATOM 302 CA THR A 21 0.220 0.118 -6.940 1.00 10.00 C ATOM 303 C THR A 21 -0.154 0.665 -5.564 1.00 10.00 C ATOM 304 O THR A 21 0.734 0.916 -4.749 1.00 10.00 O ATOM 305 CB THR A 21 1.118 -1.122 -6.865 1.00 10.00 C ATOM 306 OG1 THR A 21 1.343 -1.575 -8.184 1.00 10.00 O ATOM 307 CG2 THR A 21 0.474 -2.271 -6.095 1.00 10.00 C ATOM 0 H THR A 21 1.938 1.112 -7.551 1.00 10.00 H new ATOM 0 HA THR A 21 -0.715 -0.164 -7.424 1.00 10.00 H new ATOM 0 HB THR A 21 2.034 -0.836 -6.349 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.631 -2.512 -8.164 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.155 -3.122 -6.074 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.261 -1.951 -5.075 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.455 -2.562 -6.585 1.00 10.00 H new ATOM 315 N TRP A 22 -1.459 0.866 -5.337 1.00 10.00 N ATOM 316 CA TRP A 22 -2.024 1.575 -4.193 1.00 10.00 C ATOM 317 C TRP A 22 -2.468 0.564 -3.145 1.00 10.00 C ATOM 318 O TRP A 22 -2.856 -0.536 -3.513 1.00 10.00 O ATOM 319 CB TRP A 22 -3.187 2.458 -4.672 1.00 10.00 C ATOM 320 CG TRP A 22 -2.746 3.752 -5.317 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.514 3.975 -5.817 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.492 4.972 -5.619 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.449 5.194 -6.440 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.661 5.848 -6.386 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.782 5.440 -5.314 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.126 7.072 -6.894 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.274 6.641 -5.848 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.463 7.439 -6.669 1.00 10.00 C ATOM 0 H TRP A 22 -2.176 0.522 -5.976 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.278 2.224 -3.734 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.789 1.894 -5.385 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.830 2.687 -3.823 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.688 3.284 -5.737 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.612 5.569 -6.886 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.410 4.861 -4.653 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.465 7.721 -7.449 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.284 6.953 -5.625 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.865 8.331 -7.126 1.00 10.00 H new ATOM 339 N LEU A 23 -2.412 0.885 -1.849 1.00 10.00 N ATOM 340 CA LEU A 23 -2.996 0.040 -0.805 1.00 10.00 C ATOM 341 C LEU A 23 -3.490 0.913 0.348 1.00 10.00 C ATOM 342 O LEU A 23 -3.108 2.086 0.422 1.00 10.00 O ATOM 343 CB LEU A 23 -2.035 -1.051 -0.281 1.00 10.00 C ATOM 344 CG LEU A 23 -0.687 -1.240 -1.006 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.370 -0.487 -0.222 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.194 -2.684 -1.056 1.00 10.00 C ATOM 0 H LEU A 23 -1.964 1.731 -1.497 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.832 -0.490 -1.261 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.823 -0.834 0.766 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.565 -2.003 -0.308 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.843 -0.891 -2.027 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.337 -0.602 -0.711 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.108 0.570 -0.180 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.426 -0.887 0.790 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.759 -2.725 -1.583 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.064 -3.059 -0.041 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.925 -3.300 -1.580 1.00 10.00 H new ATOM 358 N ILE A 24 -4.313 0.335 1.236 1.00 10.00 N ATOM 359 CA ILE A 24 -4.802 0.976 2.451 1.00 10.00 C ATOM 360 C ILE A 24 -4.068 0.424 3.654 1.00 10.00 C ATOM 361 O ILE A 24 -4.197 -0.761 3.956 1.00 10.00 O ATOM 362 CB ILE A 24 -6.312 0.720 2.678 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.204 0.929 1.450 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.822 1.534 3.878 1.00 10.00 C ATOM 365 CD1 ILE A 24 -7.437 2.394 1.113 1.00 10.00 C ATOM 0 H ILE A 24 -4.662 -0.616 1.119 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.631 2.046 2.332 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.391 -0.346 2.893 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.749 0.435 0.592 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -8.166 0.446 1.623 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.885 1.342 4.023 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.275 1.242 4.775 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.668 2.596 3.689 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.077 2.468 0.233 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.920 2.889 1.956 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -6.481 2.877 0.908 1.00 10.00 H new ATOM 377 N LEU A 25 -3.377 1.312 4.370 1.00 10.00 N ATOM 378 CA LEU A 25 -2.783 1.046 5.668 1.00 10.00 C ATOM 379 C LEU A 25 -3.356 2.091 6.633 1.00 10.00 C ATOM 380 O LEU A 25 -2.794 3.167 6.800 1.00 10.00 O ATOM 381 CB LEU A 25 -1.253 1.096 5.562 1.00 10.00 C ATOM 382 CG LEU A 25 -0.570 -0.253 5.272 1.00 10.00 C ATOM 383 CD1 LEU A 25 -0.865 -0.785 3.870 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.951 -0.125 5.398 1.00 10.00 C ATOM 0 H LEU A 25 -3.214 2.265 4.046 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.021 0.049 6.039 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.982 1.799 4.774 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.853 1.494 6.495 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.975 -0.948 6.007 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.355 -1.738 3.728 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.939 -0.927 3.753 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.511 -0.070 3.128 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.416 -1.089 5.189 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.314 0.615 4.685 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.207 0.190 6.410 1.00 10.00 H new ATOM 396 N HIS A 26 -4.491 1.783 7.261 1.00 10.00 N ATOM 397 CA HIS A 26 -5.118 2.591 8.305 1.00 10.00 C ATOM 398 C HIS A 26 -5.825 3.831 7.749 1.00 10.00 C ATOM 399 O HIS A 26 -5.498 4.959 8.113 1.00 10.00 O ATOM 400 CB HIS A 26 -4.136 2.943 9.445 1.00 10.00 C ATOM 401 CG HIS A 26 -3.232 1.825 9.918 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.508 0.919 10.918 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.944 1.600 9.505 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.414 0.154 11.085 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.436 0.530 10.246 1.00 10.00 N ATOM 0 H HIS A 26 -5.016 0.935 7.049 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.896 1.966 8.743 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.511 3.772 9.115 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.714 3.300 10.297 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.416 2.152 8.742 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.334 -0.653 11.798 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.507 0.117 10.165 1.00 10.00 H new ATOM 413 N TYR A 27 -6.829 3.617 6.887 1.00 10.00 N ATOM 414 CA TYR A 27 -7.625 4.679 6.270 1.00 10.00 C ATOM 415 C TYR A 27 -6.717 5.770 5.703 1.00 10.00 C ATOM 416 O TYR A 27 -6.933 6.973 5.871 1.00 10.00 O ATOM 417 CB TYR A 27 -8.664 5.236 7.255 1.00 10.00 C ATOM 418 CG TYR A 27 -9.646 4.231 7.834 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.341 3.339 6.993 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.975 4.289 9.202 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.373 2.536 7.510 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.005 3.484 9.717 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.717 2.621 8.868 1.00 10.00 C ATOM 424 OH TYR A 27 -12.755 1.893 9.365 1.00 10.00 O ATOM 0 H TYR A 27 -7.113 2.682 6.596 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.182 4.255 5.435 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.134 5.711 8.080 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.231 6.017 6.749 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.080 3.272 5.947 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.434 4.955 9.858 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -11.902 1.853 6.861 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -11.250 3.529 10.768 1.00 10.00 H new ATOM 0 HH TYR A 27 -12.852 2.073 10.323 1.00 10.00 H new ATOM 434 N LYS A 28 -5.655 5.334 5.036 1.00 10.00 N ATOM 435 CA LYS A 28 -4.644 6.196 4.460 1.00 10.00 C ATOM 436 C LYS A 28 -4.102 5.449 3.237 1.00 10.00 C ATOM 437 O LYS A 28 -4.130 4.216 3.260 1.00 10.00 O ATOM 438 CB LYS A 28 -3.615 6.479 5.567 1.00 10.00 C ATOM 439 CG LYS A 28 -2.599 7.569 5.233 1.00 10.00 C ATOM 440 CD LYS A 28 -3.239 8.960 5.152 1.00 10.00 C ATOM 441 CE LYS A 28 -3.960 9.391 6.445 1.00 10.00 C ATOM 442 NZ LYS A 28 -5.412 9.093 6.452 1.00 10.00 N ATOM 0 H LYS A 28 -5.473 4.343 4.880 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.995 7.168 4.114 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.147 6.764 6.474 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.078 5.557 5.789 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -1.816 7.576 5.991 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.120 7.336 4.282 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.466 9.692 4.917 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.952 8.974 4.328 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.493 8.891 7.294 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.818 10.462 6.588 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.750 9.036 7.434 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.924 9.848 5.953 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.582 8.185 5.974 1.00 10.00 H new ATOM 456 N VAL A 29 -3.708 6.156 2.163 1.00 10.00 N ATOM 457 CA VAL A 29 -3.424 5.537 0.866 1.00 10.00 C ATOM 458 C VAL A 29 -1.943 5.647 0.503 1.00 10.00 C ATOM 459 O VAL A 29 -1.303 6.678 0.732 1.00 10.00 O ATOM 460 CB VAL A 29 -4.306 6.129 -0.240 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.011 5.490 -1.597 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.780 5.856 0.036 1.00 10.00 C ATOM 0 H VAL A 29 -3.579 7.168 2.174 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.664 4.477 0.954 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.090 7.197 -0.256 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.655 5.934 -2.356 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.967 5.661 -1.861 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.200 4.418 -1.543 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.385 6.286 -0.762 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.949 4.780 0.080 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.062 6.307 0.988 1.00 10.00 H new ATOM 472 N TYR A 30 -1.422 4.559 -0.071 1.00 10.00 N ATOM 473 CA TYR A 30 -0.003 4.284 -0.188 1.00 10.00 C ATOM 474 C TYR A 30 0.300 3.734 -1.580 1.00 10.00 C ATOM 475 O TYR A 30 -0.083 2.597 -1.841 1.00 10.00 O ATOM 476 CB TYR A 30 0.276 3.212 0.869 1.00 10.00 C ATOM 477 CG TYR A 30 0.168 3.726 2.286 1.00 10.00 C ATOM 478 CD1 TYR A 30 1.235 4.391 2.914 1.00 10.00 C ATOM 479 CD2 TYR A 30 -1.074 3.652 2.930 1.00 10.00 C ATOM 480 CE1 TYR A 30 1.067 4.917 4.208 1.00 10.00 C ATOM 481 CE2 TYR A 30 -1.244 4.227 4.194 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.169 4.828 4.854 1.00 10.00 C ATOM 483 OH TYR A 30 -0.315 5.316 6.117 1.00 10.00 O ATOM 0 H TYR A 30 -2.003 3.826 -0.478 1.00 10.00 H new ATOM 0 HA TYR A 30 0.609 5.175 -0.044 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.425 2.388 0.735 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.276 2.808 0.712 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.181 4.498 2.405 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.901 3.150 2.450 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.899 5.393 4.706 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.216 4.206 4.664 1.00 10.00 H new ATOM 0 HH TYR A 30 0.299 6.069 6.250 1.00 10.00 H new ATOM 493 N ASP A 31 0.983 4.502 -2.445 1.00 10.00 N ATOM 494 CA ASP A 31 1.542 3.986 -3.699 1.00 10.00 C ATOM 495 C ASP A 31 2.952 3.520 -3.392 1.00 10.00 C ATOM 496 O ASP A 31 3.679 4.259 -2.729 1.00 10.00 O ATOM 497 CB ASP A 31 1.612 5.044 -4.807 1.00 10.00 C ATOM 498 CG ASP A 31 1.820 4.418 -6.187 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.626 3.466 -6.293 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.122 4.887 -7.117 1.00 10.00 O ATOM 0 H ASP A 31 1.161 5.495 -2.293 1.00 10.00 H new ATOM 0 HA ASP A 31 0.896 3.187 -4.063 1.00 10.00 H new ATOM 0 HB2 ASP A 31 0.691 5.628 -4.809 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.428 5.736 -4.596 1.00 10.00 H new ATOM 505 N LEU A 32 3.353 2.331 -3.846 1.00 10.00 N ATOM 506 CA LEU A 32 4.713 1.863 -3.589 1.00 10.00 C ATOM 507 C LEU A 32 5.211 0.848 -4.593 1.00 10.00 C ATOM 508 O LEU A 32 5.962 -0.070 -4.263 1.00 10.00 O ATOM 509 CB LEU A 32 4.892 1.460 -2.128 1.00 10.00 C ATOM 510 CG LEU A 32 3.855 0.523 -1.495 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.381 -0.902 -1.341 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.605 1.039 -0.078 1.00 10.00 C ATOM 0 H LEU A 32 2.769 1.688 -4.381 1.00 10.00 H new ATOM 0 HA LEU A 32 5.380 2.710 -3.751 1.00 10.00 H new ATOM 0 HB2 LEU A 32 5.869 0.986 -2.032 1.00 10.00 H new ATOM 0 HB3 LEU A 32 4.921 2.373 -1.533 1.00 10.00 H new ATOM 0 HG LEU A 32 2.970 0.508 -2.131 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.611 -1.527 -0.889 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.643 -1.301 -2.321 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.265 -0.897 -0.703 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.871 0.403 0.417 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.538 1.022 0.485 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.228 2.061 -0.124 1.00 10.00 H new ATOM 524 N THR A 33 4.881 1.119 -5.850 1.00 10.00 N ATOM 525 CA THR A 33 5.418 0.406 -7.008 1.00 10.00 C ATOM 526 C THR A 33 6.931 0.200 -6.898 1.00 10.00 C ATOM 527 O THR A 33 7.409 -0.924 -7.006 1.00 10.00 O ATOM 528 CB THR A 33 5.021 1.133 -8.293 1.00 10.00 C ATOM 529 OG1 THR A 33 3.622 1.016 -8.400 1.00 10.00 O ATOM 530 CG2 THR A 33 5.666 0.520 -9.541 1.00 10.00 C ATOM 0 H THR A 33 4.220 1.854 -6.100 1.00 10.00 H new ATOM 0 HA THR A 33 4.982 -0.593 -7.036 1.00 10.00 H new ATOM 0 HB THR A 33 5.359 2.168 -8.239 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.379 0.838 -9.333 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.350 1.075 -10.424 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.751 0.569 -9.451 1.00 10.00 H new ATOM 0 HG23 THR A 33 5.356 -0.521 -9.637 1.00 10.00 H new ATOM 538 N LYS A 34 7.696 1.266 -6.640 1.00 10.00 N ATOM 539 CA LYS A 34 9.149 1.149 -6.560 1.00 10.00 C ATOM 540 C LYS A 34 9.571 0.232 -5.408 1.00 10.00 C ATOM 541 O LYS A 34 10.659 -0.335 -5.423 1.00 10.00 O ATOM 542 CB LYS A 34 9.791 2.544 -6.452 1.00 10.00 C ATOM 543 CG LYS A 34 11.329 2.472 -6.428 1.00 10.00 C ATOM 544 CD LYS A 34 11.902 2.480 -4.998 1.00 10.00 C ATOM 545 CE LYS A 34 13.264 1.769 -4.954 1.00 10.00 C ATOM 546 NZ LYS A 34 13.873 1.818 -3.608 1.00 10.00 N ATOM 0 H LYS A 34 7.335 2.207 -6.485 1.00 10.00 H new ATOM 0 HA LYS A 34 9.511 0.685 -7.478 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.470 3.157 -7.294 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.437 3.037 -5.546 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.654 1.567 -6.940 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.737 3.317 -6.983 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.011 3.507 -4.650 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.206 1.986 -4.319 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.140 0.730 -5.258 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.938 2.233 -5.674 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.748 1.256 -3.602 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.094 2.804 -3.363 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.206 1.429 -2.911 1.00 10.00 H new ATOM 560 N PHE A 35 8.741 0.112 -4.369 1.00 10.00 N ATOM 561 CA PHE A 35 9.098 -0.685 -3.214 1.00 10.00 C ATOM 562 C PHE A 35 8.810 -2.156 -3.478 1.00 10.00 C ATOM 563 O PHE A 35 9.500 -3.005 -2.931 1.00 10.00 O ATOM 564 CB PHE A 35 8.358 -0.201 -1.968 1.00 10.00 C ATOM 565 CG PHE A 35 9.024 -0.672 -0.692 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.331 -0.239 -0.395 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.431 -1.678 0.089 1.00 10.00 C ATOM 568 CE1 PHE A 35 11.058 -0.842 0.644 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.157 -2.272 1.133 1.00 10.00 C ATOM 570 CZ PHE A 35 10.474 -1.866 1.405 1.00 10.00 C ATOM 0 H PHE A 35 7.825 0.557 -4.312 1.00 10.00 H new ATOM 0 HA PHE A 35 10.167 -0.570 -3.033 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.314 0.888 -1.973 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.330 -0.562 -1.994 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.776 0.560 -0.969 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.418 -1.994 -0.114 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.066 -0.518 0.857 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.700 -3.046 1.731 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.035 -2.340 2.197 1.00 10.00 H new ATOM 580 N LEU A 36 7.825 -2.468 -4.327 1.00 10.00 N ATOM 581 CA LEU A 36 7.554 -3.834 -4.773 1.00 10.00 C ATOM 582 C LEU A 36 8.856 -4.576 -5.122 1.00 10.00 C ATOM 583 O LEU A 36 9.048 -5.724 -4.728 1.00 10.00 O ATOM 584 CB LEU A 36 6.633 -3.811 -5.999 1.00 10.00 C ATOM 585 CG LEU A 36 5.278 -3.115 -5.822 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.536 -3.213 -7.158 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.430 -3.730 -4.708 1.00 10.00 C ATOM 0 H LEU A 36 7.191 -1.775 -4.725 1.00 10.00 H new ATOM 0 HA LEU A 36 7.065 -4.363 -3.955 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.164 -3.322 -6.816 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.450 -4.840 -6.308 1.00 10.00 H new ATOM 0 HG LEU A 36 5.453 -2.079 -5.530 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.564 -2.727 -7.071 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.120 -2.720 -7.935 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.395 -4.262 -7.420 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.484 -3.194 -4.633 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.236 -4.778 -4.935 1.00 10.00 H new ATOM 0 HD23 LEU A 36 4.965 -3.657 -3.761 1.00 10.00 H new ATOM 599 N GLU A 37 9.753 -3.886 -5.834 1.00 10.00 N ATOM 600 CA GLU A 37 11.090 -4.338 -6.200 1.00 10.00 C ATOM 601 C GLU A 37 11.921 -4.790 -4.989 1.00 10.00 C ATOM 602 O GLU A 37 12.678 -5.755 -5.058 1.00 10.00 O ATOM 603 CB GLU A 37 11.825 -3.158 -6.859 1.00 10.00 C ATOM 604 CG GLU A 37 11.138 -2.597 -8.113 1.00 10.00 C ATOM 605 CD GLU A 37 11.971 -1.468 -8.712 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.092 -1.777 -9.169 1.00 10.00 O ATOM 607 OE2 GLU A 37 11.488 -0.316 -8.686 1.00 10.00 O ATOM 0 H GLU A 37 9.551 -2.950 -6.186 1.00 10.00 H new ATOM 0 HA GLU A 37 10.979 -5.193 -6.867 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.927 -2.356 -6.127 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.833 -3.477 -7.125 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.005 -3.390 -8.849 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.144 -2.229 -7.858 1.00 10.00 H new ATOM 614 N GLU A 38 11.845 -4.001 -3.919 1.00 10.00 N ATOM 615 CA GLU A 38 12.793 -3.922 -2.814 1.00 10.00 C ATOM 616 C GLU A 38 12.307 -4.759 -1.624 1.00 10.00 C ATOM 617 O GLU A 38 13.092 -5.312 -0.856 1.00 10.00 O ATOM 618 CB GLU A 38 12.882 -2.424 -2.478 1.00 10.00 C ATOM 619 CG GLU A 38 14.123 -1.968 -1.708 1.00 10.00 C ATOM 620 CD GLU A 38 14.282 -0.468 -1.895 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.323 0.280 -1.599 1.00 10.00 O ATOM 622 OE2 GLU A 38 15.280 -0.042 -2.519 1.00 10.00 O ATOM 0 H GLU A 38 11.065 -3.356 -3.795 1.00 10.00 H new ATOM 0 HA GLU A 38 13.773 -4.325 -3.069 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.834 -1.862 -3.411 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.001 -2.152 -1.896 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.022 -2.209 -0.650 1.00 10.00 H new ATOM 0 HG3 GLU A 38 15.008 -2.491 -2.071 1.00 10.00 H new ATOM 629 N HIS A 39 10.986 -4.825 -1.476 1.00 10.00 N ATOM 630 CA HIS A 39 10.249 -5.492 -0.425 1.00 10.00 C ATOM 631 C HIS A 39 10.698 -6.947 -0.233 1.00 10.00 C ATOM 632 O HIS A 39 10.604 -7.725 -1.179 1.00 10.00 O ATOM 633 CB HIS A 39 8.777 -5.450 -0.852 1.00 10.00 C ATOM 634 CG HIS A 39 7.823 -6.043 0.141 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.685 -6.753 -0.159 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.812 -5.777 1.480 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.997 -6.889 0.990 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.647 -6.310 2.021 1.00 10.00 N ATOM 0 H HIS A 39 10.361 -4.375 -2.145 1.00 10.00 H new ATOM 0 HA HIS A 39 10.420 -4.994 0.529 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.494 -4.413 -1.034 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.671 -5.980 -1.799 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.414 -7.108 -1.076 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.577 -5.244 2.025 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.047 -7.396 1.076 1.00 10.00 H new ATOM 646 N PRO A 40 11.087 -7.370 0.985 1.00 10.00 N ATOM 647 CA PRO A 40 11.301 -8.777 1.306 1.00 10.00 C ATOM 648 C PRO A 40 10.113 -9.668 0.918 1.00 10.00 C ATOM 649 O PRO A 40 10.304 -10.776 0.429 1.00 10.00 O ATOM 650 CB PRO A 40 11.590 -8.817 2.811 1.00 10.00 C ATOM 651 CG PRO A 40 12.230 -7.453 3.058 1.00 10.00 C ATOM 652 CD PRO A 40 11.424 -6.542 2.132 1.00 10.00 C ATOM 0 HA PRO A 40 12.132 -9.183 0.729 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.680 -8.951 3.396 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.261 -9.634 3.074 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.147 -7.148 4.101 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.291 -7.450 2.808 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.527 -6.171 2.627 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.006 -5.671 1.832 1.00 10.00 H new ATOM 660 N GLY A 41 8.882 -9.181 1.111 1.00 10.00 N ATOM 661 CA GLY A 41 7.677 -9.887 0.691 1.00 10.00 C ATOM 662 C GLY A 41 7.539 -10.001 -0.836 1.00 10.00 C ATOM 663 O GLY A 41 6.727 -10.787 -1.311 1.00 10.00 O ATOM 0 H GLY A 41 8.698 -8.285 1.563 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.681 -10.887 1.124 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.804 -9.370 1.090 1.00 10.00 H new ATOM 667 N GLY A 42 8.293 -9.215 -1.614 1.00 10.00 N ATOM 668 CA GLY A 42 8.202 -9.197 -3.069 1.00 10.00 C ATOM 669 C GLY A 42 6.946 -8.483 -3.555 1.00 10.00 C ATOM 670 O GLY A 42 6.205 -7.893 -2.760 1.00 10.00 O ATOM 0 H GLY A 42 8.989 -8.569 -1.242 1.00 10.00 H new ATOM 0 HA2 GLY A 42 9.082 -8.703 -3.481 1.00 10.00 H new ATOM 0 HA3 GLY A 42 8.206 -10.220 -3.445 1.00 10.00 H new ATOM 674 N GLU A 43 6.736 -8.528 -4.878 1.00 10.00 N ATOM 675 CA GLU A 43 5.621 -7.874 -5.540 1.00 10.00 C ATOM 676 C GLU A 43 4.360 -8.729 -5.468 1.00 10.00 C ATOM 677 O GLU A 43 3.380 -8.273 -4.898 1.00 10.00 O ATOM 678 CB GLU A 43 5.978 -7.483 -6.982 1.00 10.00 C ATOM 679 CG GLU A 43 4.741 -6.922 -7.705 1.00 10.00 C ATOM 680 CD GLU A 43 5.058 -6.154 -8.986 1.00 10.00 C ATOM 681 OE1 GLU A 43 6.202 -5.684 -9.120 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.129 -6.057 -9.830 1.00 10.00 O ATOM 0 H GLU A 43 7.350 -9.030 -5.519 1.00 10.00 H new ATOM 0 HA GLU A 43 5.409 -6.948 -5.006 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.774 -6.738 -6.978 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.358 -8.353 -7.518 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.070 -7.747 -7.946 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.204 -6.263 -7.023 1.00 10.00 H new ATOM 689 N GLU A 44 4.344 -9.924 -6.069 1.00 10.00 N ATOM 690 CA GLU A 44 3.124 -10.691 -6.328 1.00 10.00 C ATOM 691 C GLU A 44 2.119 -10.649 -5.166 1.00 10.00 C ATOM 692 O GLU A 44 1.025 -10.102 -5.301 1.00 10.00 O ATOM 693 CB GLU A 44 3.476 -12.141 -6.701 1.00 10.00 C ATOM 694 CG GLU A 44 4.394 -12.258 -7.929 1.00 10.00 C ATOM 695 CD GLU A 44 3.817 -11.560 -9.151 1.00 10.00 C ATOM 696 OE1 GLU A 44 2.602 -11.715 -9.397 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.564 -10.796 -9.793 1.00 10.00 O ATOM 0 H GLU A 44 5.191 -10.391 -6.393 1.00 10.00 H new ATOM 0 HA GLU A 44 2.626 -10.213 -7.171 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.961 -12.618 -5.849 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.555 -12.691 -6.893 1.00 10.00 H new ATOM 0 HG2 GLU A 44 5.368 -11.828 -7.694 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.557 -13.311 -8.158 1.00 10.00 H new ATOM 704 N VAL A 45 2.514 -11.195 -4.015 1.00 10.00 N ATOM 705 CA VAL A 45 1.685 -11.293 -2.815 1.00 10.00 C ATOM 706 C VAL A 45 1.304 -9.915 -2.245 1.00 10.00 C ATOM 707 O VAL A 45 0.381 -9.809 -1.450 1.00 10.00 O ATOM 708 CB VAL A 45 2.425 -12.165 -1.778 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.761 -11.544 -1.346 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.595 -12.455 -0.520 1.00 10.00 C ATOM 0 H VAL A 45 3.445 -11.592 -3.889 1.00 10.00 H new ATOM 0 HA VAL A 45 0.738 -11.764 -3.077 1.00 10.00 H new ATOM 0 HB VAL A 45 2.606 -13.107 -2.296 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.245 -12.193 -0.616 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.408 -11.431 -2.216 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.580 -10.567 -0.899 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.176 -13.072 0.165 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.335 -11.516 -0.031 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.683 -12.983 -0.799 1.00 10.00 H new ATOM 720 N LEU A 46 2.001 -8.844 -2.627 1.00 10.00 N ATOM 721 CA LEU A 46 1.672 -7.479 -2.236 1.00 10.00 C ATOM 722 C LEU A 46 0.682 -6.876 -3.241 1.00 10.00 C ATOM 723 O LEU A 46 -0.321 -6.272 -2.861 1.00 10.00 O ATOM 724 CB LEU A 46 2.988 -6.698 -2.099 1.00 10.00 C ATOM 725 CG LEU A 46 2.849 -5.241 -1.643 1.00 10.00 C ATOM 726 CD1 LEU A 46 1.987 -5.122 -0.388 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.247 -4.707 -1.315 1.00 10.00 C ATOM 0 H LEU A 46 2.824 -8.905 -3.227 1.00 10.00 H new ATOM 0 HA LEU A 46 1.167 -7.438 -1.271 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.629 -7.222 -1.390 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.500 -6.712 -3.061 1.00 10.00 H new ATOM 0 HG LEU A 46 2.374 -4.673 -2.443 1.00 10.00 H new ATOM 0 HD11 LEU A 46 1.912 -4.075 -0.096 1.00 10.00 H new ATOM 0 HD12 LEU A 46 0.991 -5.514 -0.592 1.00 10.00 H new ATOM 0 HD13 LEU A 46 2.442 -5.693 0.421 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.173 -3.670 -0.988 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.689 -5.308 -0.520 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.876 -4.763 -2.204 1.00 10.00 H new ATOM 739 N ARG A 47 0.923 -7.088 -4.536 1.00 10.00 N ATOM 740 CA ARG A 47 0.046 -6.657 -5.616 1.00 10.00 C ATOM 741 C ARG A 47 -1.331 -7.308 -5.449 1.00 10.00 C ATOM 742 O ARG A 47 -2.360 -6.678 -5.665 1.00 10.00 O ATOM 743 CB ARG A 47 0.675 -7.020 -6.969 1.00 10.00 C ATOM 744 CG ARG A 47 0.146 -6.088 -8.067 1.00 10.00 C ATOM 745 CD ARG A 47 0.300 -6.677 -9.473 1.00 10.00 C ATOM 746 NE ARG A 47 1.683 -7.100 -9.753 1.00 10.00 N ATOM 747 CZ ARG A 47 2.130 -8.352 -9.943 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.352 -9.411 -9.704 1.00 10.00 N ATOM 749 NH2 ARG A 47 3.381 -8.509 -10.364 1.00 10.00 N ATOM 0 H ARG A 47 1.755 -7.577 -4.867 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.082 -5.575 -5.581 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.760 -6.941 -6.907 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.445 -8.056 -7.219 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.907 -5.876 -7.881 1.00 10.00 H new ATOM 0 HG3 ARG A 47 0.677 -5.137 -8.017 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.368 -7.531 -9.582 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -0.007 -5.936 -10.211 1.00 10.00 H new ATOM 0 HE ARG A 47 2.380 -6.358 -9.809 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.397 -9.278 -9.370 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.712 -10.353 -9.855 1.00 10.00 H new ATOM 0 HH21 ARG A 47 3.969 -7.693 -10.532 1.00 10.00 H new ATOM 0 HH22 ARG A 47 3.753 -9.446 -10.519 1.00 10.00 H new ATOM 763 N GLU A 48 -1.334 -8.573 -5.034 1.00 10.00 N ATOM 764 CA GLU A 48 -2.503 -9.314 -4.586 1.00 10.00 C ATOM 765 C GLU A 48 -3.375 -8.472 -3.637 1.00 10.00 C ATOM 766 O GLU A 48 -4.590 -8.404 -3.806 1.00 10.00 O ATOM 767 CB GLU A 48 -1.956 -10.574 -3.904 1.00 10.00 C ATOM 768 CG GLU A 48 -2.998 -11.539 -3.341 1.00 10.00 C ATOM 769 CD GLU A 48 -2.304 -12.585 -2.482 1.00 10.00 C ATOM 770 OE1 GLU A 48 -2.001 -12.232 -1.321 1.00 10.00 O ATOM 771 OE2 GLU A 48 -2.061 -13.692 -3.006 1.00 10.00 O ATOM 0 H GLU A 48 -0.481 -9.131 -5.001 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.158 -9.573 -5.417 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.341 -11.114 -4.624 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.299 -10.266 -3.091 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.732 -10.994 -2.748 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.540 -12.021 -4.154 1.00 10.00 H new ATOM 778 N GLN A 49 -2.753 -7.837 -2.639 1.00 10.00 N ATOM 779 CA GLN A 49 -3.432 -7.073 -1.595 1.00 10.00 C ATOM 780 C GLN A 49 -3.762 -5.646 -2.050 1.00 10.00 C ATOM 781 O GLN A 49 -4.727 -5.040 -1.587 1.00 10.00 O ATOM 782 CB GLN A 49 -2.532 -7.047 -0.353 1.00 10.00 C ATOM 783 CG GLN A 49 -2.252 -8.445 0.214 1.00 10.00 C ATOM 784 CD GLN A 49 -3.499 -9.287 0.493 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.459 -8.814 1.090 1.00 10.00 O ATOM 786 NE2 GLN A 49 -3.525 -10.551 0.084 1.00 10.00 N ATOM 0 H GLN A 49 -1.738 -7.842 -2.535 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.382 -7.555 -1.366 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.586 -6.568 -0.606 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.003 -6.436 0.417 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -1.616 -8.985 -0.487 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.688 -8.339 1.140 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -2.725 -10.943 -0.413 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.345 -11.129 0.267 1.00 10.00 H new ATOM 795 N ALA A 50 -2.934 -5.088 -2.936 1.00 10.00 N ATOM 796 CA ALA A 50 -3.127 -3.751 -3.485 1.00 10.00 C ATOM 797 C ALA A 50 -4.570 -3.482 -3.939 1.00 10.00 C ATOM 798 O ALA A 50 -5.302 -4.364 -4.380 1.00 10.00 O ATOM 799 CB ALA A 50 -2.145 -3.521 -4.630 1.00 10.00 C ATOM 0 H ALA A 50 -2.103 -5.559 -3.294 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.931 -3.041 -2.681 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.291 -2.521 -5.039 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.125 -3.616 -4.259 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.317 -4.261 -5.411 1.00 10.00 H new ATOM 805 N GLY A 51 -4.960 -2.216 -3.836 1.00 10.00 N ATOM 806 CA GLY A 51 -6.251 -1.678 -4.192 1.00 10.00 C ATOM 807 C GLY A 51 -7.287 -1.824 -3.094 1.00 10.00 C ATOM 808 O GLY A 51 -8.449 -1.489 -3.288 1.00 10.00 O ATOM 0 H GLY A 51 -4.333 -1.496 -3.476 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.141 -0.622 -4.440 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.611 -2.180 -5.090 1.00 10.00 H new ATOM 812 N GLY A 52 -6.845 -2.173 -1.887 1.00 10.00 N ATOM 813 CA GLY A 52 -7.714 -2.077 -0.739 1.00 10.00 C ATOM 814 C GLY A 52 -6.974 -2.592 0.480 1.00 10.00 C ATOM 815 O GLY A 52 -6.036 -1.962 0.970 1.00 10.00 O ATOM 0 H GLY A 52 -5.905 -2.518 -1.690 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.022 -1.043 -0.584 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.621 -2.658 -0.903 1.00 10.00 H new ATOM 819 N ASP A 53 -7.419 -3.758 0.926 1.00 10.00 N ATOM 820 CA ASP A 53 -6.961 -4.448 2.123 1.00 10.00 C ATOM 821 C ASP A 53 -5.443 -4.575 2.114 1.00 10.00 C ATOM 822 O ASP A 53 -4.900 -5.431 1.421 1.00 10.00 O ATOM 823 CB ASP A 53 -7.628 -5.832 2.188 1.00 10.00 C ATOM 824 CG ASP A 53 -7.198 -6.684 3.385 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.049 -6.528 3.859 1.00 10.00 O ATOM 826 OD2 ASP A 53 -8.034 -7.518 3.791 1.00 10.00 O ATOM 0 H ASP A 53 -8.149 -4.276 0.436 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.240 -3.875 3.007 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.709 -5.700 2.221 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -7.401 -6.375 1.270 1.00 10.00 H new ATOM 831 N ALA A 54 -4.752 -3.742 2.892 1.00 10.00 N ATOM 832 CA ALA A 54 -3.396 -4.055 3.294 1.00 10.00 C ATOM 833 C ALA A 54 -3.066 -3.574 4.712 1.00 10.00 C ATOM 834 O ALA A 54 -1.889 -3.529 5.073 1.00 10.00 O ATOM 835 CB ALA A 54 -2.448 -3.479 2.252 1.00 10.00 C ATOM 0 H ALA A 54 -5.111 -2.856 3.249 1.00 10.00 H new ATOM 0 HA ALA A 54 -3.279 -5.138 3.339 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.419 -3.702 2.533 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.663 -3.923 1.280 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.582 -2.399 2.195 1.00 10.00 H new ATOM 841 N THR A 55 -4.057 -3.234 5.544 1.00 10.00 N ATOM 842 CA THR A 55 -3.777 -2.682 6.865 1.00 10.00 C ATOM 843 C THR A 55 -3.520 -3.837 7.825 1.00 10.00 C ATOM 844 O THR A 55 -2.443 -3.983 8.398 1.00 10.00 O ATOM 845 CB THR A 55 -4.955 -1.813 7.351 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.262 -0.798 6.418 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.585 -1.130 8.667 1.00 10.00 C ATOM 0 H THR A 55 -5.048 -3.332 5.325 1.00 10.00 H new ATOM 0 HA THR A 55 -2.897 -2.041 6.821 1.00 10.00 H new ATOM 0 HB THR A 55 -5.816 -2.470 7.476 1.00 10.00 H new ATOM 0 HG1 THR A 55 -4.715 -0.916 5.614 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.420 -0.517 9.006 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.361 -1.886 9.419 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.710 -0.498 8.516 1.00 10.00 H new ATOM 855 N GLU A 56 -4.540 -4.675 7.953 1.00 10.00 N ATOM 856 CA GLU A 56 -4.589 -5.893 8.716 1.00 10.00 C ATOM 857 C GLU A 56 -3.355 -6.688 8.363 1.00 10.00 C ATOM 858 O GLU A 56 -2.510 -6.906 9.210 1.00 10.00 O ATOM 859 CB GLU A 56 -5.900 -6.641 8.406 1.00 10.00 C ATOM 860 CG GLU A 56 -6.534 -6.538 7.001 1.00 10.00 C ATOM 861 CD GLU A 56 -7.192 -5.192 6.684 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.335 -4.982 7.140 1.00 10.00 O ATOM 863 OE2 GLU A 56 -6.473 -4.339 6.104 1.00 10.00 O ATOM 0 H GLU A 56 -5.426 -4.495 7.481 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.590 -5.709 9.790 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.725 -7.698 8.606 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.646 -6.300 9.124 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.763 -6.733 6.256 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.282 -7.324 6.898 1.00 10.00 H new ATOM 870 N ASN A 57 -3.216 -6.997 7.083 1.00 10.00 N ATOM 871 CA ASN A 57 -2.016 -7.561 6.464 1.00 10.00 C ATOM 872 C ASN A 57 -0.711 -7.064 7.116 1.00 10.00 C ATOM 873 O ASN A 57 0.153 -7.855 7.494 1.00 10.00 O ATOM 874 CB ASN A 57 -2.026 -7.175 4.982 1.00 10.00 C ATOM 875 CG ASN A 57 -2.652 -8.231 4.077 1.00 10.00 C ATOM 876 OD1 ASN A 57 -1.978 -9.184 3.696 1.00 10.00 O ATOM 877 ND2 ASN A 57 -3.907 -8.070 3.673 1.00 10.00 N ATOM 0 H ASN A 57 -3.971 -6.856 6.411 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.039 -8.642 6.601 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -2.571 -6.238 4.863 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.002 -6.991 4.657 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -4.328 -8.745 3.035 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.450 -7.271 4.001 1.00 10.00 H new ATOM 884 N PHE A 58 -0.548 -5.742 7.231 1.00 10.00 N ATOM 885 CA PHE A 58 0.661 -5.125 7.765 1.00 10.00 C ATOM 886 C PHE A 58 0.904 -5.553 9.222 1.00 10.00 C ATOM 887 O PHE A 58 2.028 -5.918 9.590 1.00 10.00 O ATOM 888 CB PHE A 58 0.538 -3.598 7.632 1.00 10.00 C ATOM 889 CG PHE A 58 1.825 -2.806 7.731 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.791 -2.912 6.712 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.951 -1.798 8.707 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.866 -2.008 6.662 1.00 10.00 C ATOM 893 CE2 PHE A 58 3.027 -0.897 8.658 1.00 10.00 C ATOM 894 CZ PHE A 58 3.977 -0.992 7.627 1.00 10.00 C ATOM 0 H PHE A 58 -1.261 -5.068 6.952 1.00 10.00 H new ATOM 0 HA PHE A 58 1.527 -5.461 7.194 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.073 -3.375 6.671 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.142 -3.242 8.405 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.706 -3.690 5.967 1.00 10.00 H new ATOM 0 HD2 PHE A 58 1.218 -1.718 9.496 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.607 -2.094 5.881 1.00 10.00 H new ATOM 0 HE2 PHE A 58 3.124 -0.131 9.413 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.792 -0.285 7.576 1.00 10.00 H new ATOM 904 N GLU A 59 -0.164 -5.503 10.025 1.00 10.00 N ATOM 905 CA GLU A 59 -0.167 -5.719 11.470 1.00 10.00 C ATOM 906 C GLU A 59 -0.082 -7.202 11.834 1.00 10.00 C ATOM 907 O GLU A 59 0.757 -7.606 12.633 1.00 10.00 O ATOM 908 CB GLU A 59 -1.449 -5.096 12.042 1.00 10.00 C ATOM 909 CG GLU A 59 -1.550 -3.587 11.774 1.00 10.00 C ATOM 910 CD GLU A 59 -0.350 -2.829 12.308 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.698 -2.806 11.627 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.438 -2.269 13.420 1.00 10.00 O ATOM 0 H GLU A 59 -1.096 -5.300 9.663 1.00 10.00 H new ATOM 0 HA GLU A 59 0.716 -5.246 11.900 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.315 -5.596 11.608 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.485 -5.272 13.117 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.638 -3.415 10.701 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.458 -3.198 12.235 1.00 10.00 H new ATOM 919 N ASP A 60 -0.968 -7.992 11.237 1.00 10.00 N ATOM 920 CA ASP A 60 -0.952 -9.439 11.107 1.00 10.00 C ATOM 921 C ASP A 60 0.486 -9.948 11.001 1.00 10.00 C ATOM 922 O ASP A 60 0.937 -10.747 11.820 1.00 10.00 O ATOM 923 CB ASP A 60 -1.750 -9.785 9.840 1.00 10.00 C ATOM 924 CG ASP A 60 -1.647 -11.264 9.515 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.468 -12.031 10.059 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.730 -11.591 8.730 1.00 10.00 O ATOM 0 H ASP A 60 -1.794 -7.593 10.790 1.00 10.00 H new ATOM 0 HA ASP A 60 -1.398 -9.915 11.981 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.796 -9.512 9.980 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.377 -9.198 9.000 1.00 10.00 H new ATOM 931 N HIS A 61 1.214 -9.444 10.001 1.00 10.00 N ATOM 932 CA HIS A 61 2.619 -9.774 9.818 1.00 10.00 C ATOM 933 C HIS A 61 3.470 -9.154 10.933 1.00 10.00 C ATOM 934 O HIS A 61 4.349 -9.814 11.480 1.00 10.00 O ATOM 935 CB HIS A 61 3.075 -9.286 8.445 1.00 10.00 C ATOM 936 CG HIS A 61 2.497 -10.052 7.282 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.275 -10.687 7.200 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.109 -10.192 6.071 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.158 -11.173 5.952 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.255 -10.900 5.223 1.00 10.00 N ATOM 0 H HIS A 61 0.843 -8.800 9.302 1.00 10.00 H new ATOM 0 HA HIS A 61 2.747 -10.855 9.871 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.806 -8.235 8.340 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.162 -9.343 8.396 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.587 -10.772 7.948 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.089 -9.818 5.812 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.297 -11.711 5.584 1.00 10.00 H new ATOM 948 N GLY A 62 3.222 -7.881 11.252 1.00 10.00 N ATOM 949 CA GLY A 62 3.860 -7.181 12.359 1.00 10.00 C ATOM 950 C GLY A 62 5.014 -6.327 11.852 1.00 10.00 C ATOM 951 O GLY A 62 6.123 -6.385 12.378 1.00 10.00 O ATOM 0 H GLY A 62 2.560 -7.302 10.736 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.130 -6.552 12.869 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.226 -7.901 13.090 1.00 10.00 H new ATOM 955 N HIS A 63 4.743 -5.531 10.817 1.00 10.00 N ATOM 956 CA HIS A 63 5.766 -4.746 10.142 1.00 10.00 C ATOM 957 C HIS A 63 6.418 -3.702 11.054 1.00 10.00 C ATOM 958 O HIS A 63 5.721 -3.019 11.812 1.00 10.00 O ATOM 959 CB HIS A 63 5.137 -4.087 8.924 1.00 10.00 C ATOM 960 CG HIS A 63 5.048 -5.029 7.760 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.078 -5.974 7.537 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.876 -5.011 6.678 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.300 -6.487 6.309 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.386 -5.923 5.744 1.00 10.00 N ATOM 0 H HIS A 63 3.808 -5.415 10.427 1.00 10.00 H new ATOM 0 HA HIS A 63 6.571 -5.416 9.841 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.139 -3.730 9.179 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.724 -3.214 8.640 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.330 -6.239 8.179 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.758 -4.398 6.564 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.690 -7.246 5.842 1.00 10.00 H new ATOM 972 N SER A 64 7.746 -3.579 10.956 1.00 10.00 N ATOM 973 CA SER A 64 8.584 -2.827 11.883 1.00 10.00 C ATOM 974 C SER A 64 8.409 -1.308 11.763 1.00 10.00 C ATOM 975 O SER A 64 7.762 -0.799 10.846 1.00 10.00 O ATOM 976 CB SER A 64 10.057 -3.215 11.675 1.00 10.00 C ATOM 977 OG SER A 64 10.858 -2.636 12.693 1.00 10.00 O ATOM 0 H SER A 64 8.279 -4.015 10.204 1.00 10.00 H new ATOM 0 HA SER A 64 8.264 -3.091 12.891 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.162 -4.300 11.691 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.397 -2.876 10.696 1.00 10.00 H new ATOM 0 HG SER A 64 11.708 -2.336 12.309 1.00 10.00 H new ATOM 983 N THR A 65 9.044 -0.584 12.692 1.00 10.00 N ATOM 984 CA THR A 65 9.154 0.873 12.680 1.00 10.00 C ATOM 985 C THR A 65 9.723 1.340 11.346 1.00 10.00 C ATOM 986 O THR A 65 9.195 2.263 10.741 1.00 10.00 O ATOM 987 CB THR A 65 9.954 1.394 13.880 1.00 10.00 C ATOM 988 OG1 THR A 65 10.061 2.800 13.821 1.00 10.00 O ATOM 989 CG2 THR A 65 11.354 0.789 14.046 1.00 10.00 C ATOM 0 H THR A 65 9.507 -1.011 13.494 1.00 10.00 H new ATOM 0 HA THR A 65 8.156 1.300 12.783 1.00 10.00 H new ATOM 0 HB THR A 65 9.385 1.074 14.753 1.00 10.00 H new ATOM 0 HG1 THR A 65 10.572 3.122 14.593 1.00 10.00 H new ATOM 0 HG21 THR A 65 11.836 1.223 14.922 1.00 10.00 H new ATOM 0 HG22 THR A 65 11.271 -0.290 14.175 1.00 10.00 H new ATOM 0 HG23 THR A 65 11.951 1.004 13.160 1.00 10.00 H new ATOM 997 N ASP A 66 10.757 0.658 10.859 1.00 10.00 N ATOM 998 CA ASP A 66 11.354 0.859 9.546 1.00 10.00 C ATOM 999 C ASP A 66 10.265 0.996 8.473 1.00 10.00 C ATOM 1000 O ASP A 66 10.191 1.984 7.742 1.00 10.00 O ATOM 1001 CB ASP A 66 12.281 -0.333 9.238 1.00 10.00 C ATOM 1002 CG ASP A 66 13.189 -0.699 10.408 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.613 -1.147 11.430 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.414 -0.506 10.275 1.00 10.00 O ATOM 0 H ASP A 66 11.219 -0.079 11.392 1.00 10.00 H new ATOM 0 HA ASP A 66 11.935 1.781 9.543 1.00 10.00 H new ATOM 0 HB2 ASP A 66 11.675 -1.199 8.971 1.00 10.00 H new ATOM 0 HB3 ASP A 66 12.895 -0.094 8.370 1.00 10.00 H new ATOM 1009 N ALA A 67 9.399 -0.018 8.399 1.00 10.00 N ATOM 1010 CA ALA A 67 8.341 -0.132 7.414 1.00 10.00 C ATOM 1011 C ALA A 67 7.263 0.924 7.657 1.00 10.00 C ATOM 1012 O ALA A 67 6.783 1.548 6.715 1.00 10.00 O ATOM 1013 CB ALA A 67 7.759 -1.545 7.462 1.00 10.00 C ATOM 0 H ALA A 67 9.423 -0.804 9.049 1.00 10.00 H new ATOM 0 HA ALA A 67 8.749 0.045 6.419 1.00 10.00 H new ATOM 0 HB1 ALA A 67 6.963 -1.636 6.723 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.543 -2.269 7.241 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.355 -1.739 8.456 1.00 10.00 H new ATOM 1019 N ARG A 68 6.872 1.107 8.921 1.00 10.00 N ATOM 1020 CA ARG A 68 5.999 2.186 9.379 1.00 10.00 C ATOM 1021 C ARG A 68 6.483 3.525 8.805 1.00 10.00 C ATOM 1022 O ARG A 68 5.795 4.150 7.996 1.00 10.00 O ATOM 1023 CB ARG A 68 6.020 2.221 10.919 1.00 10.00 C ATOM 1024 CG ARG A 68 4.793 1.648 11.634 1.00 10.00 C ATOM 1025 CD ARG A 68 4.982 0.185 12.061 1.00 10.00 C ATOM 1026 NE ARG A 68 3.955 -0.173 13.049 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.006 -1.107 12.896 1.00 10.00 C ATOM 1028 NH1 ARG A 68 3.171 -2.113 12.039 1.00 10.00 N ATOM 1029 NH2 ARG A 68 1.885 -0.997 13.611 1.00 10.00 N ATOM 0 H ARG A 68 7.165 0.487 9.676 1.00 10.00 H new ATOM 0 HA ARG A 68 4.979 2.013 9.035 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.899 1.675 11.260 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.146 3.257 11.235 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.575 2.253 12.514 1.00 10.00 H new ATOM 0 HG3 ARG A 68 3.928 1.721 10.975 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.911 -0.470 11.193 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.976 0.044 12.486 1.00 10.00 H new ATOM 0 HE ARG A 68 3.965 0.336 13.933 1.00 10.00 H new ATOM 0 HH11 ARG A 68 4.028 -2.179 11.489 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.441 -2.817 11.932 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.766 -0.215 14.255 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.147 -1.694 13.513 1.00 10.00 H new ATOM 1043 N GLU A 69 7.671 3.962 9.231 1.00 10.00 N ATOM 1044 CA GLU A 69 8.355 5.140 8.714 1.00 10.00 C ATOM 1045 C GLU A 69 8.258 5.194 7.186 1.00 10.00 C ATOM 1046 O GLU A 69 7.739 6.165 6.635 1.00 10.00 O ATOM 1047 CB GLU A 69 9.808 5.167 9.229 1.00 10.00 C ATOM 1048 CG GLU A 69 10.326 6.594 9.460 1.00 10.00 C ATOM 1049 CD GLU A 69 9.539 7.328 10.538 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.110 6.686 11.524 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.224 8.523 10.347 1.00 10.00 O ATOM 0 H GLU A 69 8.195 3.489 9.967 1.00 10.00 H new ATOM 0 HA GLU A 69 7.866 6.042 9.082 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.869 4.607 10.162 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.454 4.662 8.511 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.378 6.555 9.744 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.269 7.154 8.527 1.00 10.00 H new ATOM 1058 N LEU A 70 8.679 4.122 6.505 1.00 10.00 N ATOM 1059 CA LEU A 70 8.590 4.055 5.049 1.00 10.00 C ATOM 1060 C LEU A 70 7.179 4.365 4.535 1.00 10.00 C ATOM 1061 O LEU A 70 7.011 5.087 3.554 1.00 10.00 O ATOM 1062 CB LEU A 70 9.065 2.689 4.517 1.00 10.00 C ATOM 1063 CG LEU A 70 10.335 2.751 3.653 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.350 3.927 2.666 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.572 2.808 4.549 1.00 10.00 C ATOM 0 H LEU A 70 9.083 3.293 6.941 1.00 10.00 H new ATOM 0 HA LEU A 70 9.257 4.827 4.666 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.248 2.027 5.363 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.262 2.242 3.930 1.00 10.00 H new ATOM 0 HG LEU A 70 10.343 1.842 3.051 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.275 3.907 2.090 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.500 3.845 1.989 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.285 4.865 3.217 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.468 2.852 3.930 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.523 3.695 5.180 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.608 1.918 5.177 1.00 10.00 H new ATOM 1077 N SER A 71 6.143 3.833 5.186 1.00 10.00 N ATOM 1078 CA SER A 71 4.779 4.089 4.760 1.00 10.00 C ATOM 1079 C SER A 71 4.500 5.587 4.790 1.00 10.00 C ATOM 1080 O SER A 71 3.936 6.110 3.831 1.00 10.00 O ATOM 1081 CB SER A 71 3.774 3.220 5.535 1.00 10.00 C ATOM 1082 OG SER A 71 3.387 3.801 6.763 1.00 10.00 O ATOM 0 H SER A 71 6.228 3.228 6.003 1.00 10.00 H new ATOM 0 HA SER A 71 4.648 3.782 3.722 1.00 10.00 H new ATOM 0 HB2 SER A 71 2.889 3.058 4.919 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.215 2.241 5.723 1.00 10.00 H new ATOM 0 HG SER A 71 4.178 3.932 7.327 1.00 10.00 H new ATOM 1088 N LYS A 72 4.957 6.291 5.833 1.00 10.00 N ATOM 1089 CA LYS A 72 4.809 7.744 5.884 1.00 10.00 C ATOM 1090 C LYS A 72 5.354 8.350 4.593 1.00 10.00 C ATOM 1091 O LYS A 72 4.672 9.104 3.905 1.00 10.00 O ATOM 1092 CB LYS A 72 5.541 8.366 7.080 1.00 10.00 C ATOM 1093 CG LYS A 72 5.267 7.658 8.407 1.00 10.00 C ATOM 1094 CD LYS A 72 5.994 8.429 9.516 1.00 10.00 C ATOM 1095 CE LYS A 72 6.014 7.670 10.851 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.064 8.195 11.747 1.00 10.00 N ATOM 0 H LYS A 72 5.426 5.882 6.641 1.00 10.00 H new ATOM 0 HA LYS A 72 3.747 7.962 5.998 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.613 8.351 6.886 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.248 9.412 7.170 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.196 7.624 8.606 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.617 6.627 8.368 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.018 8.630 9.202 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.509 9.395 9.659 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.042 7.756 11.336 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.186 6.609 10.667 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.615 7.404 12.137 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.694 8.825 11.211 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.623 8.726 12.525 1.00 10.00 H new ATOM 1110 N THR A 73 6.585 7.961 4.261 1.00 10.00 N ATOM 1111 CA THR A 73 7.286 8.369 3.054 1.00 10.00 C ATOM 1112 C THR A 73 6.431 8.120 1.804 1.00 10.00 C ATOM 1113 O THR A 73 6.425 8.943 0.892 1.00 10.00 O ATOM 1114 CB THR A 73 8.637 7.635 2.978 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.166 7.470 4.279 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.667 8.385 2.132 1.00 10.00 C ATOM 0 H THR A 73 7.135 7.333 4.847 1.00 10.00 H new ATOM 0 HA THR A 73 7.474 9.442 3.093 1.00 10.00 H new ATOM 0 HB THR A 73 8.444 6.671 2.506 1.00 10.00 H new ATOM 0 HG1 THR A 73 10.025 7.001 4.226 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.601 7.823 2.113 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.290 8.498 1.115 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.845 9.370 2.564 1.00 10.00 H new ATOM 1124 N PHE A 74 5.712 6.993 1.759 1.00 10.00 N ATOM 1125 CA PHE A 74 4.878 6.632 0.618 1.00 10.00 C ATOM 1126 C PHE A 74 3.464 7.227 0.662 1.00 10.00 C ATOM 1127 O PHE A 74 2.691 6.950 -0.254 1.00 10.00 O ATOM 1128 CB PHE A 74 4.728 5.113 0.523 1.00 10.00 C ATOM 1129 CG PHE A 74 5.969 4.257 0.633 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.144 4.561 -0.080 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.868 3.037 1.318 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.229 3.664 -0.055 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.926 2.123 1.296 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.126 2.456 0.659 1.00 10.00 C ATOM 0 H PHE A 74 5.695 6.308 2.515 1.00 10.00 H new ATOM 0 HA PHE A 74 5.395 7.046 -0.247 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.038 4.799 1.306 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.252 4.886 -0.431 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.213 5.479 -0.644 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.967 2.802 1.866 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.140 3.903 -0.584 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.817 1.159 1.771 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.972 1.787 0.715 1.00 10.00 H new ATOM 1144 N ILE A 75 3.066 7.967 1.705 1.00 10.00 N ATOM 1145 CA ILE A 75 1.731 8.590 1.698 1.00 10.00 C ATOM 1146 C ILE A 75 1.521 9.428 0.431 1.00 10.00 C ATOM 1147 O ILE A 75 2.275 10.362 0.169 1.00 10.00 O ATOM 1148 CB ILE A 75 1.448 9.412 2.973 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.133 8.422 4.100 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.251 10.366 2.811 1.00 10.00 C ATOM 1151 CD1 ILE A 75 1.159 9.048 5.497 1.00 10.00 C ATOM 0 H ILE A 75 3.625 8.147 2.539 1.00 10.00 H new ATOM 0 HA ILE A 75 1.005 7.777 1.692 1.00 10.00 H new ATOM 0 HB ILE A 75 2.324 10.024 3.188 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.149 7.988 3.925 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.853 7.605 4.065 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.098 10.918 3.738 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.451 11.066 2.000 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.645 9.790 2.580 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.927 8.286 6.241 1.00 10.00 H new ATOM 0 HD12 ILE A 75 2.150 9.458 5.694 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.419 9.846 5.552 1.00 10.00 H new ATOM 1163 N ILE A 76 0.465 9.110 -0.328 1.00 10.00 N ATOM 1164 CA ILE A 76 0.092 9.818 -1.553 1.00 10.00 C ATOM 1165 C ILE A 76 -1.281 10.491 -1.447 1.00 10.00 C ATOM 1166 O ILE A 76 -1.664 11.238 -2.351 1.00 10.00 O ATOM 1167 CB ILE A 76 0.072 8.836 -2.738 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.741 7.574 -2.388 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.494 8.478 -3.186 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.296 6.855 -3.619 1.00 10.00 C ATOM 0 H ILE A 76 -0.164 8.339 -0.102 1.00 10.00 H new ATOM 0 HA ILE A 76 0.838 10.597 -1.709 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.420 9.329 -3.577 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.108 6.886 -1.828 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.567 7.852 -1.734 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.447 7.783 -4.024 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.017 9.383 -3.494 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.030 8.013 -2.359 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.858 5.976 -3.304 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.954 7.529 -4.168 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.472 6.548 -4.263 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.069 10.154 -0.422 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.519 10.242 -0.536 1.00 10.00 C ATOM 1184 C GLY A 77 -4.176 9.587 0.655 1.00 10.00 C ATOM 1185 O GLY A 77 -3.498 9.043 1.534 1.00 10.00 O ATOM 0 H GLY A 77 -1.730 9.823 0.481 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.823 11.287 -0.600 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.849 9.757 -1.455 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.506 9.605 0.644 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.285 9.039 1.710 1.00 10.00 C ATOM 1191 C GLU A 78 -7.549 8.391 1.160 1.00 10.00 C ATOM 1192 O GLU A 78 -8.028 8.764 0.097 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.700 10.154 2.666 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.628 11.140 3.152 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.071 11.824 4.440 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -6.605 11.098 5.313 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -5.883 13.046 4.557 1.00 10.00 O ATOM 0 H GLU A 78 -6.061 10.014 -0.108 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.684 8.288 2.222 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.486 10.732 2.180 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.145 9.688 3.545 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.689 10.612 3.319 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.440 11.889 2.383 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.069 7.449 1.940 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.235 6.612 1.699 1.00 10.00 C ATOM 1206 C LEU A 79 -10.500 7.459 1.803 1.00 10.00 C ATOM 1207 O LEU A 79 -10.854 7.894 2.897 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.123 5.519 2.776 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.212 4.447 2.897 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.328 4.876 3.850 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -10.800 3.996 1.563 1.00 10.00 C ATOM 0 H LEU A 79 -7.643 7.234 2.841 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.283 6.166 0.706 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.176 5.003 2.616 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.054 6.021 3.741 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.699 3.580 3.315 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.080 4.089 3.908 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.912 5.054 4.842 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.790 5.792 3.481 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.562 3.237 1.739 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.249 4.850 1.056 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.010 3.578 0.940 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.142 7.761 0.668 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.196 8.761 0.640 1.00 10.00 C ATOM 1225 C HIS A 80 -13.343 8.448 1.589 1.00 10.00 C ATOM 1226 O HIS A 80 -14.038 7.474 1.357 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.751 8.952 -0.763 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.686 10.126 -0.796 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.044 10.092 -0.567 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.259 11.401 -0.557 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.421 11.334 -0.210 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.366 12.164 -0.183 1.00 10.00 N ATOM 0 H HIS A 80 -10.946 7.326 -0.233 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.723 9.684 0.976 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -11.934 9.109 -1.467 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.276 8.051 -1.080 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.243 11.756 -0.642 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.435 11.624 0.023 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.372 13.154 0.062 1.00 10.00 H new