USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 534 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 43 THR OG1 : rot 155:sc= 1.9 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 ASN : amide:sc= -0.587 K(o=-1.7,f=-0.58) USER MOD Set 2.2: A 35 HIS : no HD1:sc= -1.14 K(o=-1.7,f=-0.99) USER MOD Set 3.1: A 17 THR OG1 : rot -62:sc= 0.644 USER MOD Set 3.2: A 27 GLN : amide:sc= 0.584 K(o=1.2,f=-0.013) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.828 (180deg=0.372) USER MOD Single : A 3 GLN : amide:sc= -0.582 K(o=-0.58,f=-2.7!) USER MOD Single : A 6 THR OG1 : rot 132:sc= -1.2 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -159:sc= -0.129 (180deg=-0.611) USER MOD Single : A 16 GLN : amide:sc= -0.182 K(o=-0.18,f=-2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -53:sc= -0.0778! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.944 K(o=-0.94,f=-3.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.058) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= 0.452 (180deg=0.249) USER MOD Single : A 60 SER OG : rot -54:sc= 0.018 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.178) USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0199) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0355 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0379 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.909 13.391 6.719 1.00 0.00 N ATOM 2 CA MET A 1 3.039 14.010 5.374 1.00 0.00 C ATOM 3 C MET A 1 2.898 12.967 4.270 1.00 0.00 C ATOM 4 O MET A 1 2.040 13.084 3.396 1.00 0.00 O ATOM 5 CB MET A 1 4.405 14.693 5.282 1.00 0.00 C ATOM 6 CG MET A 1 4.474 16.015 6.030 1.00 0.00 C ATOM 7 SD MET A 1 4.799 15.800 7.792 1.00 0.00 S ATOM 8 CE MET A 1 5.906 17.173 8.101 1.00 0.00 C ATOM 0 H1 MET A 1 3.448 13.949 7.412 1.00 0.00 H new ATOM 0 H2 MET A 1 1.907 13.370 6.996 1.00 0.00 H new ATOM 0 H3 MET A 1 3.281 12.420 6.692 1.00 0.00 H new ATOM 0 HA MET A 1 2.242 14.741 5.239 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.166 14.021 5.678 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.646 14.865 4.233 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.257 16.635 5.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.534 16.551 5.901 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.197 17.176 9.151 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.795 17.071 7.478 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.401 18.109 7.862 1.00 0.00 H new ATOM 20 N GLU A 2 3.748 11.946 4.319 1.00 0.00 N ATOM 21 CA GLU A 2 3.719 10.880 3.324 1.00 0.00 C ATOM 22 C GLU A 2 2.498 9.989 3.515 1.00 0.00 C ATOM 23 O GLU A 2 2.270 9.454 4.601 1.00 0.00 O ATOM 24 CB GLU A 2 4.996 10.039 3.415 1.00 0.00 C ATOM 25 CG GLU A 2 5.139 9.028 2.292 1.00 0.00 C ATOM 26 CD GLU A 2 6.523 8.410 2.238 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.508 9.142 2.471 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.622 7.197 1.959 1.00 0.00 O ATOM 0 H GLU A 2 4.465 11.835 5.036 1.00 0.00 H new ATOM 0 HA GLU A 2 3.660 11.339 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.860 10.703 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.008 9.513 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.398 8.239 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.925 9.514 1.340 1.00 0.00 H new ATOM 35 N GLN A 3 1.711 9.835 2.454 1.00 0.00 N ATOM 36 CA GLN A 3 0.510 9.008 2.508 1.00 0.00 C ATOM 37 C GLN A 3 0.643 7.792 1.598 1.00 0.00 C ATOM 38 O GLN A 3 -0.323 7.366 0.967 1.00 0.00 O ATOM 39 CB GLN A 3 -0.718 9.828 2.109 1.00 0.00 C ATOM 40 CG GLN A 3 -1.998 9.378 2.796 1.00 0.00 C ATOM 41 CD GLN A 3 -2.885 10.539 3.196 1.00 0.00 C ATOM 42 OE1 GLN A 3 -2.458 11.694 3.182 1.00 0.00 O ATOM 43 NE2 GLN A 3 -4.127 10.238 3.556 1.00 0.00 N ATOM 0 H GLN A 3 1.883 10.271 1.548 1.00 0.00 H new ATOM 0 HA GLN A 3 0.387 8.658 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.537 10.877 2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.853 9.764 1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.551 8.717 2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.745 8.797 3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.438 9.266 3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.770 10.978 3.836 1.00 0.00 H new ATOM 52 N ARG A 4 1.849 7.237 1.542 1.00 0.00 N ATOM 53 CA ARG A 4 2.119 6.065 0.716 1.00 0.00 C ATOM 54 C ARG A 4 2.656 4.921 1.568 1.00 0.00 C ATOM 55 O ARG A 4 3.861 4.670 1.605 1.00 0.00 O ATOM 56 CB ARG A 4 3.115 6.399 -0.403 1.00 0.00 C ATOM 57 CG ARG A 4 4.084 7.522 -0.067 1.00 0.00 C ATOM 58 CD ARG A 4 4.665 8.148 -1.325 1.00 0.00 C ATOM 59 NE ARG A 4 6.059 8.547 -1.148 1.00 0.00 N ATOM 60 CZ ARG A 4 6.893 8.792 -2.156 1.00 0.00 C ATOM 61 NH1 ARG A 4 6.480 8.676 -3.413 1.00 0.00 N ATOM 62 NH2 ARG A 4 8.145 9.151 -1.907 1.00 0.00 N ATOM 0 H ARG A 4 2.657 7.581 2.060 1.00 0.00 H new ATOM 0 HA ARG A 4 1.179 5.754 0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.686 5.502 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.558 6.672 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.570 8.285 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.891 7.134 0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.594 7.438 -2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.072 9.019 -1.603 1.00 0.00 H new ATOM 0 HE ARG A 4 6.414 8.643 -0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.519 8.398 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.124 8.865 -4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.468 9.239 -0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.785 9.339 -2.679 1.00 0.00 H new ATOM 76 N ILE A 5 1.752 4.237 2.262 1.00 0.00 N ATOM 77 CA ILE A 5 2.123 3.128 3.125 1.00 0.00 C ATOM 78 C ILE A 5 2.367 1.861 2.330 1.00 0.00 C ATOM 79 O ILE A 5 1.950 1.738 1.180 1.00 0.00 O ATOM 80 CB ILE A 5 1.028 2.846 4.167 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.567 4.152 4.794 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.533 1.887 5.235 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.900 4.170 5.161 1.00 0.00 C ATOM 0 H ILE A 5 0.752 4.435 2.241 1.00 0.00 H new ATOM 0 HA ILE A 5 3.044 3.421 3.628 1.00 0.00 H new ATOM 0 HB ILE A 5 0.181 2.375 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.158 4.342 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.768 4.968 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.742 1.702 5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.826 0.946 4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.394 2.325 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.153 5.134 5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.501 4.012 4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.105 3.377 5.880 1.00 0.00 H new ATOM 95 N THR A 6 3.049 0.924 2.962 1.00 0.00 N ATOM 96 CA THR A 6 3.368 -0.354 2.335 1.00 0.00 C ATOM 97 C THR A 6 2.172 -1.300 2.386 1.00 0.00 C ATOM 98 O THR A 6 1.402 -1.292 3.346 1.00 0.00 O ATOM 99 CB THR A 6 4.571 -0.997 3.026 1.00 0.00 C ATOM 100 OG1 THR A 6 4.304 -1.211 4.401 1.00 0.00 O ATOM 101 CG2 THR A 6 5.832 -0.166 2.926 1.00 0.00 C ATOM 0 H THR A 6 3.397 1.021 3.916 1.00 0.00 H new ATOM 0 HA THR A 6 3.614 -0.166 1.290 1.00 0.00 H new ATOM 0 HB THR A 6 4.735 -1.940 2.505 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.561 -2.125 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.647 -0.679 3.437 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.093 -0.025 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.666 0.805 3.392 1.00 0.00 H new ATOM 109 N LEU A 7 2.026 -2.114 1.345 1.00 0.00 N ATOM 110 CA LEU A 7 0.924 -3.069 1.270 1.00 0.00 C ATOM 111 C LEU A 7 0.911 -3.985 2.491 1.00 0.00 C ATOM 112 O LEU A 7 -0.150 -4.306 3.027 1.00 0.00 O ATOM 113 CB LEU A 7 1.034 -3.905 -0.006 1.00 0.00 C ATOM 114 CG LEU A 7 -0.145 -4.843 -0.270 1.00 0.00 C ATOM 115 CD1 LEU A 7 -1.200 -4.150 -1.117 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.331 -6.119 -0.948 1.00 0.00 C ATOM 0 H LEU A 7 2.656 -2.132 0.543 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.010 -2.507 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.139 -3.231 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.947 -4.499 0.045 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.594 -5.109 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.031 -4.833 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.563 -3.265 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.764 -3.854 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.521 -6.775 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.806 -5.871 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.050 -6.627 -0.305 1.00 0.00 H new ATOM 128 N LYS A 8 2.098 -4.397 2.926 1.00 0.00 N ATOM 129 CA LYS A 8 2.223 -5.273 4.084 1.00 0.00 C ATOM 130 C LYS A 8 1.664 -4.602 5.334 1.00 0.00 C ATOM 131 O LYS A 8 0.954 -5.226 6.123 1.00 0.00 O ATOM 132 CB LYS A 8 3.689 -5.652 4.306 1.00 0.00 C ATOM 133 CG LYS A 8 3.903 -6.598 5.477 1.00 0.00 C ATOM 134 CD LYS A 8 5.178 -6.267 6.236 1.00 0.00 C ATOM 135 CE LYS A 8 6.296 -7.242 5.905 1.00 0.00 C ATOM 136 NZ LYS A 8 7.250 -6.677 4.910 1.00 0.00 N ATOM 0 H LYS A 8 2.985 -4.138 2.494 1.00 0.00 H new ATOM 0 HA LYS A 8 1.647 -6.178 3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.077 -6.116 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.269 -4.744 4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.050 -6.540 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.951 -7.624 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.495 -5.253 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.980 -6.290 7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.834 -7.501 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.868 -8.165 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.997 -7.373 4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.742 -6.454 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.678 -5.810 5.293 1.00 0.00 H new ATOM 150 N ASP A 9 1.990 -3.326 5.509 1.00 0.00 N ATOM 151 CA ASP A 9 1.521 -2.566 6.662 1.00 0.00 C ATOM 152 C ASP A 9 0.021 -2.312 6.573 1.00 0.00 C ATOM 153 O ASP A 9 -0.684 -2.336 7.580 1.00 0.00 O ATOM 154 CB ASP A 9 2.268 -1.235 6.760 1.00 0.00 C ATOM 155 CG ASP A 9 3.739 -1.419 7.077 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.283 -2.500 6.764 1.00 0.00 O ATOM 157 OD2 ASP A 9 4.347 -0.483 7.637 1.00 0.00 O ATOM 0 H ASP A 9 2.578 -2.796 4.866 1.00 0.00 H new ATOM 0 HA ASP A 9 1.720 -3.155 7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.167 -0.695 5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.807 -0.619 7.532 1.00 0.00 H new ATOM 162 N TYR A 10 -0.460 -2.067 5.359 1.00 0.00 N ATOM 163 CA TYR A 10 -1.876 -1.806 5.137 1.00 0.00 C ATOM 164 C TYR A 10 -2.713 -3.041 5.453 1.00 0.00 C ATOM 165 O TYR A 10 -3.798 -2.938 6.025 1.00 0.00 O ATOM 166 CB TYR A 10 -2.115 -1.370 3.690 1.00 0.00 C ATOM 167 CG TYR A 10 -3.478 -0.753 3.461 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.628 -1.530 3.504 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.610 0.605 3.203 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.874 -0.969 3.296 1.00 0.00 C ATOM 171 CE2 TYR A 10 -4.854 1.172 2.993 1.00 0.00 C ATOM 172 CZ TYR A 10 -5.981 0.381 3.040 1.00 0.00 C ATOM 173 OH TYR A 10 -7.220 0.943 2.831 1.00 0.00 O ATOM 0 H TYR A 10 0.111 -2.044 4.514 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.181 -1.002 5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.347 -0.651 3.404 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.002 -2.234 3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.548 -2.588 3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.728 1.228 3.166 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.760 -1.586 3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.941 2.230 2.793 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.120 1.904 2.665 1.00 0.00 H new ATOM 183 N ALA A 11 -2.202 -4.208 5.078 1.00 0.00 N ATOM 184 CA ALA A 11 -2.903 -5.464 5.322 1.00 0.00 C ATOM 185 C ALA A 11 -2.856 -5.839 6.800 1.00 0.00 C ATOM 186 O ALA A 11 -3.795 -6.432 7.330 1.00 0.00 O ATOM 187 CB ALA A 11 -2.304 -6.575 4.473 1.00 0.00 C ATOM 0 H ALA A 11 -1.305 -4.311 4.604 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.948 -5.331 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.836 -7.507 4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.395 -6.316 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.251 -6.700 4.727 1.00 0.00 H new ATOM 193 N MET A 12 -1.755 -5.495 7.458 1.00 0.00 N ATOM 194 CA MET A 12 -1.584 -5.797 8.871 1.00 0.00 C ATOM 195 C MET A 12 -2.217 -4.719 9.745 1.00 0.00 C ATOM 196 O MET A 12 -2.597 -4.975 10.887 1.00 0.00 O ATOM 197 CB MET A 12 -0.098 -5.940 9.206 1.00 0.00 C ATOM 198 CG MET A 12 0.328 -7.372 9.484 1.00 0.00 C ATOM 199 SD MET A 12 1.905 -7.472 10.355 1.00 0.00 S ATOM 200 CE MET A 12 2.881 -6.297 9.421 1.00 0.00 C ATOM 0 H MET A 12 -0.967 -5.006 7.033 1.00 0.00 H new ATOM 0 HA MET A 12 -2.089 -6.741 9.077 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.492 -5.549 8.377 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.130 -5.326 10.077 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.442 -7.867 10.076 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.403 -7.914 8.541 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.941 -6.503 9.572 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.642 -6.386 8.361 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.656 -5.286 9.760 1.00 0.00 H new ATOM 210 N ARG A 13 -2.324 -3.514 9.200 1.00 0.00 N ATOM 211 CA ARG A 13 -2.907 -2.392 9.927 1.00 0.00 C ATOM 212 C ARG A 13 -4.413 -2.308 9.697 1.00 0.00 C ATOM 213 O ARG A 13 -5.204 -2.570 10.602 1.00 0.00 O ATOM 214 CB ARG A 13 -2.239 -1.083 9.501 1.00 0.00 C ATOM 215 CG ARG A 13 -2.600 0.099 10.387 1.00 0.00 C ATOM 216 CD ARG A 13 -1.378 0.943 10.718 1.00 0.00 C ATOM 217 NE ARG A 13 -1.678 2.371 10.701 1.00 0.00 N ATOM 218 CZ ARG A 13 -0.755 3.324 10.806 1.00 0.00 C ATOM 219 NH1 ARG A 13 0.527 3.005 10.935 1.00 0.00 N ATOM 220 NH2 ARG A 13 -1.113 4.601 10.781 1.00 0.00 N ATOM 0 H ARG A 13 -2.014 -3.288 8.255 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.734 -2.554 10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.157 -1.217 9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.524 -0.857 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.345 0.717 9.885 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.055 -0.262 11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.000 0.664 11.702 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.586 0.731 10.000 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.653 2.656 10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.809 2.025 10.954 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.230 3.740 11.015 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.096 4.853 10.681 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.405 5.331 10.862 1.00 0.00 H new ATOM 234 N PHE A 14 -4.801 -1.931 8.483 1.00 0.00 N ATOM 235 CA PHE A 14 -6.198 -1.798 8.129 1.00 0.00 C ATOM 236 C PHE A 14 -6.826 -3.152 7.814 1.00 0.00 C ATOM 237 O PHE A 14 -8.017 -3.363 8.044 1.00 0.00 O ATOM 238 CB PHE A 14 -6.310 -0.867 6.930 1.00 0.00 C ATOM 239 CG PHE A 14 -5.675 0.471 7.164 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.372 1.481 7.802 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.376 0.719 6.756 1.00 0.00 C ATOM 242 CE1 PHE A 14 -5.791 2.703 8.024 1.00 0.00 C ATOM 243 CE2 PHE A 14 -3.793 1.940 6.978 1.00 0.00 C ATOM 244 CZ PHE A 14 -4.502 2.929 7.611 1.00 0.00 C ATOM 0 H PHE A 14 -4.155 -1.712 7.725 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.741 -1.382 8.977 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.842 -1.339 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.362 -0.725 6.684 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.386 1.305 8.129 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.815 -0.058 6.257 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.346 3.485 8.522 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.779 2.122 6.655 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.043 3.891 7.785 1.00 0.00 H new ATOM 254 N GLY A 15 -6.020 -4.067 7.285 1.00 0.00 N ATOM 255 CA GLY A 15 -6.517 -5.387 6.947 1.00 0.00 C ATOM 256 C GLY A 15 -6.364 -5.707 5.474 1.00 0.00 C ATOM 257 O GLY A 15 -6.513 -4.830 4.622 1.00 0.00 O ATOM 0 H GLY A 15 -5.031 -3.917 7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.983 -6.134 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.569 -5.457 7.223 1.00 0.00 H new ATOM 261 N GLN A 16 -6.066 -6.966 5.170 1.00 0.00 N ATOM 262 CA GLN A 16 -5.893 -7.398 3.788 1.00 0.00 C ATOM 263 C GLN A 16 -7.210 -7.309 3.022 1.00 0.00 C ATOM 264 O GLN A 16 -7.224 -7.056 1.818 1.00 0.00 O ATOM 265 CB GLN A 16 -5.360 -8.831 3.742 1.00 0.00 C ATOM 266 CG GLN A 16 -6.236 -9.831 4.479 1.00 0.00 C ATOM 267 CD GLN A 16 -5.737 -10.122 5.880 1.00 0.00 C ATOM 268 OE1 GLN A 16 -6.181 -9.508 6.850 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.808 -11.065 5.993 1.00 0.00 N ATOM 0 H GLN A 16 -5.939 -7.705 5.862 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.171 -6.734 3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.266 -9.141 2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.359 -8.851 4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.254 -9.446 4.533 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.276 -10.761 3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.469 -11.549 5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.434 -11.305 6.911 1.00 0.00 H new ATOM 278 N THR A 17 -8.314 -7.516 3.732 1.00 0.00 N ATOM 279 CA THR A 17 -9.637 -7.458 3.120 1.00 0.00 C ATOM 280 C THR A 17 -10.000 -6.027 2.744 1.00 0.00 C ATOM 281 O THR A 17 -10.460 -5.764 1.633 1.00 0.00 O ATOM 282 CB THR A 17 -10.680 -8.028 4.074 1.00 0.00 C ATOM 283 OG1 THR A 17 -10.360 -9.360 4.437 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.080 -8.035 3.494 1.00 0.00 C ATOM 0 H THR A 17 -8.319 -7.725 4.730 1.00 0.00 H new ATOM 0 HA THR A 17 -9.619 -8.057 2.210 1.00 0.00 H new ATOM 0 HB THR A 17 -10.664 -7.370 4.943 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.370 -9.928 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.774 -8.453 4.223 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.379 -7.015 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.096 -8.642 2.589 1.00 0.00 H new ATOM 292 N LYS A 18 -9.786 -5.104 3.675 1.00 0.00 N ATOM 293 CA LYS A 18 -10.080 -3.696 3.442 1.00 0.00 C ATOM 294 C LYS A 18 -9.307 -3.161 2.248 1.00 0.00 C ATOM 295 O LYS A 18 -9.770 -2.265 1.541 1.00 0.00 O ATOM 296 CB LYS A 18 -9.766 -2.872 4.689 1.00 0.00 C ATOM 297 CG LYS A 18 -10.530 -1.561 4.766 1.00 0.00 C ATOM 298 CD LYS A 18 -10.340 -0.887 6.117 1.00 0.00 C ATOM 299 CE LYS A 18 -10.510 0.621 6.013 1.00 0.00 C ATOM 300 NZ LYS A 18 -11.870 1.063 6.406 1.00 0.00 N ATOM 0 H LYS A 18 -9.409 -5.307 4.601 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.144 -3.609 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.994 -3.467 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.697 -2.661 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.191 -0.893 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.591 -1.746 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.061 -1.288 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.347 -1.117 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.773 1.112 6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.309 0.937 4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.938 2.097 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.574 0.616 5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.054 0.786 7.391 1.00 0.00 H new ATOM 314 N THR A 19 -8.119 -3.715 2.025 1.00 0.00 N ATOM 315 CA THR A 19 -7.274 -3.293 0.915 1.00 0.00 C ATOM 316 C THR A 19 -7.874 -3.725 -0.419 1.00 0.00 C ATOM 317 O THR A 19 -8.017 -2.917 -1.336 1.00 0.00 O ATOM 318 CB THR A 19 -5.868 -3.874 1.067 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.570 -4.119 2.429 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.785 -2.972 0.516 1.00 0.00 C ATOM 0 H THR A 19 -7.720 -4.458 2.599 1.00 0.00 H new ATOM 0 HA THR A 19 -7.213 -2.205 0.931 1.00 0.00 H new ATOM 0 HB THR A 19 -5.876 -4.800 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.723 -3.303 2.949 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.812 -3.444 0.656 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.957 -2.804 -0.547 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.804 -2.017 1.042 1.00 0.00 H new ATOM 328 N ALA A 20 -8.225 -5.003 -0.519 1.00 0.00 N ATOM 329 CA ALA A 20 -8.810 -5.542 -1.742 1.00 0.00 C ATOM 330 C ALA A 20 -10.090 -4.802 -2.112 1.00 0.00 C ATOM 331 O ALA A 20 -10.410 -4.655 -3.289 1.00 0.00 O ATOM 332 CB ALA A 20 -9.083 -7.030 -1.583 1.00 0.00 C ATOM 0 H ALA A 20 -8.115 -5.685 0.232 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.095 -5.399 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.519 -7.420 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.149 -7.551 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.777 -7.186 -0.757 1.00 0.00 H new ATOM 338 N LYS A 21 -10.810 -4.339 -1.098 1.00 0.00 N ATOM 339 CA LYS A 21 -12.060 -3.615 -1.316 1.00 0.00 C ATOM 340 C LYS A 21 -11.780 -2.173 -1.736 1.00 0.00 C ATOM 341 O LYS A 21 -12.490 -1.618 -2.579 1.00 0.00 O ATOM 342 CB LYS A 21 -12.910 -3.639 -0.049 1.00 0.00 C ATOM 343 CG LYS A 21 -14.380 -3.945 -0.309 1.00 0.00 C ATOM 344 CD LYS A 21 -15.180 -2.676 -0.543 1.00 0.00 C ATOM 345 CE LYS A 21 -16.350 -2.923 -1.477 1.00 0.00 C ATOM 346 NZ LYS A 21 -17.050 -1.658 -1.837 1.00 0.00 N ATOM 0 H LYS A 21 -10.552 -4.451 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.609 -4.108 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.507 -4.386 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.831 -2.673 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.469 -4.598 -1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.796 -4.487 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.547 -2.295 0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.532 -1.908 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.994 -3.412 -2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.055 -3.606 -1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.843 -1.870 -2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.412 -1.204 -0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.384 -1.016 -2.312 1.00 0.00 H new ATOM 360 N ASP A 22 -10.760 -1.575 -1.142 1.00 0.00 N ATOM 361 CA ASP A 22 -10.390 -0.198 -1.454 1.00 0.00 C ATOM 362 C ASP A 22 -9.672 -0.117 -2.795 1.00 0.00 C ATOM 363 O ASP A 22 -9.891 0.811 -3.573 1.00 0.00 O ATOM 364 CB ASP A 22 -9.510 0.374 -0.345 1.00 0.00 C ATOM 365 CG ASP A 22 -10.280 1.253 0.618 1.00 0.00 C ATOM 366 OD1 ASP A 22 -10.890 2.240 0.159 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.280 0.952 1.829 1.00 0.00 O ATOM 0 H ASP A 22 -10.170 -2.020 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.302 0.394 -1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.049 -0.446 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.701 0.953 -0.791 1.00 0.00 H new ATOM 372 N LEU A 23 -8.808 -1.091 -3.056 1.00 0.00 N ATOM 373 CA LEU A 23 -8.052 -1.129 -4.302 1.00 0.00 C ATOM 374 C LEU A 23 -8.906 -1.679 -5.442 1.00 0.00 C ATOM 375 O LEU A 23 -8.764 -1.267 -6.593 1.00 0.00 O ATOM 376 CB LEU A 23 -6.793 -1.981 -4.133 1.00 0.00 C ATOM 377 CG LEU A 23 -5.487 -1.187 -4.022 1.00 0.00 C ATOM 378 CD1 LEU A 23 -4.769 -1.513 -2.721 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.586 -1.467 -5.216 1.00 0.00 C ATOM 0 H LEU A 23 -8.614 -1.865 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.760 -0.109 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.905 -2.595 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.716 -2.662 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.732 -0.125 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.844 -0.939 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.410 -1.256 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.538 -2.578 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.664 -0.894 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.350 -2.531 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.098 -1.177 -6.134 1.00 0.00 H new ATOM 391 N GLY A 24 -9.793 -2.612 -5.111 1.00 0.00 N ATOM 392 CA GLY A 24 -10.650 -3.204 -6.117 1.00 0.00 C ATOM 393 C GLY A 24 -10.090 -4.497 -6.675 1.00 0.00 C ATOM 394 O GLY A 24 -10.280 -4.809 -7.850 1.00 0.00 O ATOM 0 H GLY A 24 -9.932 -2.967 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.632 -3.395 -5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.792 -2.493 -6.931 1.00 0.00 H new ATOM 398 N VAL A 25 -9.392 -5.248 -5.830 1.00 0.00 N ATOM 399 CA VAL A 25 -8.796 -6.512 -6.244 1.00 0.00 C ATOM 400 C VAL A 25 -9.299 -7.664 -5.379 1.00 0.00 C ATOM 401 O VAL A 25 -10.110 -7.467 -4.476 1.00 0.00 O ATOM 402 CB VAL A 25 -7.259 -6.461 -6.166 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.694 -5.614 -7.297 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.810 -5.927 -4.814 1.00 0.00 C ATOM 0 H VAL A 25 -9.225 -5.003 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.094 -6.679 -7.279 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.874 -7.475 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.607 -5.590 -7.225 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.985 -6.045 -8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.085 -4.599 -7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.721 -5.898 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.205 -4.921 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.182 -6.579 -4.024 1.00 0.00 H new ATOM 414 N GLN A 26 -8.808 -8.865 -5.662 1.00 0.00 N ATOM 415 CA GLN A 26 -9.205 -10.049 -4.911 1.00 0.00 C ATOM 416 C GLN A 26 -8.238 -10.310 -3.763 1.00 0.00 C ATOM 417 O GLN A 26 -7.027 -10.150 -3.908 1.00 0.00 O ATOM 418 CB GLN A 26 -9.264 -11.269 -5.833 1.00 0.00 C ATOM 419 CG GLN A 26 -10.140 -11.067 -7.054 1.00 0.00 C ATOM 420 CD GLN A 26 -9.449 -10.289 -8.154 1.00 0.00 C ATOM 421 OE1 GLN A 26 -8.221 -10.236 -8.210 1.00 0.00 O ATOM 422 NE2 GLN A 26 -10.230 -9.679 -9.035 1.00 0.00 N ATOM 0 H GLN A 26 -8.134 -9.044 -6.406 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.197 -9.871 -4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.254 -11.517 -6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.635 -12.124 -5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.445 -12.039 -7.441 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.048 -10.541 -6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.244 -9.749 -8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.817 -9.140 -9.796 1.00 0.00 H new ATOM 431 N GLN A 27 -8.784 -10.711 -2.621 1.00 0.00 N ATOM 432 CA GLN A 27 -7.974 -10.995 -1.441 1.00 0.00 C ATOM 433 C GLN A 27 -6.888 -12.022 -1.749 1.00 0.00 C ATOM 434 O GLN A 27 -5.862 -12.078 -1.073 1.00 0.00 O ATOM 435 CB GLN A 27 -8.858 -11.499 -0.300 1.00 0.00 C ATOM 436 CG GLN A 27 -9.999 -10.555 0.050 1.00 0.00 C ATOM 437 CD GLN A 27 -10.850 -11.068 1.194 1.00 0.00 C ATOM 438 OE1 GLN A 27 -10.340 -11.339 2.285 1.00 0.00 O ATOM 439 NE2 GLN A 27 -12.140 -11.204 0.951 1.00 0.00 N ATOM 0 H GLN A 27 -9.786 -10.847 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.490 -10.067 -1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.272 -12.470 -0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.241 -11.654 0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.590 -9.580 0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.628 -10.409 -0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.514 -10.966 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.763 -11.547 1.682 1.00 0.00 H new ATOM 448 N SER A 28 -7.123 -12.832 -2.776 1.00 0.00 N ATOM 449 CA SER A 28 -6.167 -13.855 -3.176 1.00 0.00 C ATOM 450 C SER A 28 -4.878 -13.225 -3.693 1.00 0.00 C ATOM 451 O SER A 28 -3.783 -13.579 -3.256 1.00 0.00 O ATOM 452 CB SER A 28 -6.774 -14.757 -4.252 1.00 0.00 C ATOM 453 OG SER A 28 -7.730 -15.644 -3.696 1.00 0.00 O ATOM 0 H SER A 28 -7.968 -12.799 -3.346 1.00 0.00 H new ATOM 0 HA SER A 28 -5.929 -14.456 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.246 -14.145 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.984 -15.328 -4.740 1.00 0.00 H new ATOM 0 HG SER A 28 -8.104 -16.208 -4.405 1.00 0.00 H new ATOM 459 N ALA A 29 -5.017 -12.290 -4.627 1.00 0.00 N ATOM 460 CA ALA A 29 -3.864 -11.609 -5.205 1.00 0.00 C ATOM 461 C ALA A 29 -3.058 -10.883 -4.133 1.00 0.00 C ATOM 462 O ALA A 29 -1.833 -10.806 -4.210 1.00 0.00 O ATOM 463 CB ALA A 29 -4.313 -10.631 -6.282 1.00 0.00 C ATOM 0 H ALA A 29 -5.917 -11.986 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.220 -12.363 -5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.442 -10.130 -6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.838 -11.172 -7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.981 -9.889 -5.844 1.00 0.00 H new ATOM 469 N ILE A 30 -3.755 -10.353 -3.133 1.00 0.00 N ATOM 470 CA ILE A 30 -3.101 -9.636 -2.045 1.00 0.00 C ATOM 471 C ILE A 30 -2.142 -10.548 -1.289 1.00 0.00 C ATOM 472 O ILE A 30 -0.980 -10.202 -1.073 1.00 0.00 O ATOM 473 CB ILE A 30 -4.128 -9.055 -1.053 1.00 0.00 C ATOM 474 CG1 ILE A 30 -5.212 -8.272 -1.798 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.434 -8.165 -0.032 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.666 -7.171 -2.680 1.00 0.00 C ATOM 0 H ILE A 30 -4.771 -10.406 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.543 -8.816 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.604 -9.882 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.791 -8.963 -2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.899 -7.837 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.172 -7.762 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.699 -8.750 0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.933 -7.344 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.491 -6.659 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.111 -6.458 -2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.002 -7.601 -3.430 1.00 0.00 H new ATOM 488 N ASN A 31 -2.635 -11.715 -0.891 1.00 0.00 N ATOM 489 CA ASN A 31 -1.823 -12.680 -0.161 1.00 0.00 C ATOM 490 C ASN A 31 -0.637 -13.138 -1.004 1.00 0.00 C ATOM 491 O ASN A 31 0.429 -13.449 -0.474 1.00 0.00 O ATOM 492 CB ASN A 31 -2.673 -13.885 0.249 1.00 0.00 C ATOM 493 CG ASN A 31 -2.705 -14.085 1.753 1.00 0.00 C ATOM 494 OD1 ASN A 31 -3.584 -13.568 2.442 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.742 -14.840 2.269 1.00 0.00 N ATOM 0 H ASN A 31 -3.595 -12.016 -1.062 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.440 -12.194 0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.690 -13.751 -0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.278 -14.783 -0.226 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.711 -15.011 3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.033 -15.249 1.660 1.00 0.00 H new ATOM 502 N LYS A 32 -0.832 -13.179 -2.319 1.00 0.00 N ATOM 503 CA LYS A 32 0.219 -13.601 -3.235 1.00 0.00 C ATOM 504 C LYS A 32 1.281 -12.521 -3.396 1.00 0.00 C ATOM 505 O LYS A 32 2.436 -12.813 -3.700 1.00 0.00 O ATOM 506 CB LYS A 32 -0.376 -13.952 -4.599 1.00 0.00 C ATOM 507 CG LYS A 32 -1.418 -15.058 -4.544 1.00 0.00 C ATOM 508 CD LYS A 32 -0.768 -16.429 -4.460 1.00 0.00 C ATOM 509 CE LYS A 32 -1.538 -17.462 -5.269 1.00 0.00 C ATOM 510 NZ LYS A 32 -1.170 -18.853 -4.887 1.00 0.00 N ATOM 0 H LYS A 32 -1.709 -12.925 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 32 0.694 -14.485 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.829 -13.059 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.428 -14.255 -5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.065 -14.907 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.051 -15.008 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.257 -16.370 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.717 -16.745 -3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.608 -17.316 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.340 -17.313 -6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.716 -19.527 -5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.154 -19.001 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.382 -19.004 -3.880 1.00 0.00 H new ATOM 524 N TRP A 33 0.878 -11.274 -3.199 1.00 0.00 N ATOM 525 CA TRP A 33 1.779 -10.148 -3.327 1.00 0.00 C ATOM 526 C TRP A 33 2.828 -10.148 -2.219 1.00 0.00 C ATOM 527 O TRP A 33 4.023 -10.009 -2.483 1.00 0.00 O ATOM 528 CB TRP A 33 0.956 -8.872 -3.286 1.00 0.00 C ATOM 529 CG TRP A 33 0.168 -8.644 -4.526 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.301 -9.313 -5.689 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.885 -7.703 -4.714 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.591 -8.835 -6.618 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.335 -7.842 -6.039 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.483 -6.754 -3.893 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.361 -7.063 -6.560 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.504 -5.976 -4.407 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.933 -6.134 -5.732 1.00 0.00 C ATOM 0 H TRP A 33 -0.077 -11.020 -2.948 1.00 0.00 H new ATOM 0 HA TRP A 33 2.315 -10.218 -4.273 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.277 -8.912 -2.434 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.621 -8.023 -3.124 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.008 -10.111 -5.865 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.684 -9.165 -7.579 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.156 -6.627 -2.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.695 -7.186 -7.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.978 -5.236 -3.779 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.731 -5.510 -6.108 1.00 0.00 H new ATOM 548 N ILE A 34 2.374 -10.304 -0.981 1.00 0.00 N ATOM 549 CA ILE A 34 3.273 -10.322 0.167 1.00 0.00 C ATOM 550 C ILE A 34 3.935 -11.688 0.327 1.00 0.00 C ATOM 551 O ILE A 34 5.021 -11.801 0.894 1.00 0.00 O ATOM 552 CB ILE A 34 2.529 -9.970 1.469 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.674 -8.715 1.275 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.519 -9.774 2.609 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.215 -8.920 1.623 1.00 0.00 C ATOM 0 H ILE A 34 1.388 -10.420 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 34 4.039 -9.570 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 34 1.868 -10.798 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.077 -7.911 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.750 -8.390 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.978 -9.526 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.085 -10.693 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.204 -8.963 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.331 -7.991 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.204 -9.702 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.128 -9.216 2.669 1.00 0.00 H new ATOM 567 N HIS A 35 3.271 -12.724 -0.178 1.00 0.00 N ATOM 568 CA HIS A 35 3.790 -14.084 -0.093 1.00 0.00 C ATOM 569 C HIS A 35 5.150 -14.195 -0.770 1.00 0.00 C ATOM 570 O HIS A 35 5.992 -15.000 -0.373 1.00 0.00 O ATOM 571 CB HIS A 35 2.809 -15.061 -0.742 1.00 0.00 C ATOM 572 CG HIS A 35 1.977 -15.825 0.239 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.889 -15.500 1.576 1.00 0.00 N ATOM 574 CD2 HIS A 35 1.190 -16.912 0.066 1.00 0.00 C ATOM 575 CE1 HIS A 35 1.086 -16.355 2.184 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.649 -17.222 1.289 1.00 0.00 N ATOM 0 H HIS A 35 2.371 -12.646 -0.651 1.00 0.00 H new ATOM 0 HA HIS A 35 3.909 -14.335 0.961 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.149 -14.508 -1.410 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.367 -15.766 -1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.019 -17.438 -0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.831 -16.346 3.233 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.012 -17.997 1.476 1.00 0.00 H new ATOM 585 N ALA A 36 5.348 -13.385 -1.796 1.00 0.00 N ATOM 586 CA ALA A 36 6.598 -13.387 -2.543 1.00 0.00 C ATOM 587 C ALA A 36 7.463 -12.179 -2.193 1.00 0.00 C ATOM 588 O ALA A 36 8.661 -12.162 -2.476 1.00 0.00 O ATOM 589 CB ALA A 36 6.312 -13.427 -4.036 1.00 0.00 C ATOM 0 H ALA A 36 4.657 -12.714 -2.133 1.00 0.00 H new ATOM 0 HA ALA A 36 7.157 -14.280 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.253 -13.428 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.751 -14.330 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.728 -12.551 -4.318 1.00 0.00 H new ATOM 595 N GLY A 37 6.853 -11.172 -1.577 1.00 0.00 N ATOM 596 CA GLY A 37 7.589 -9.979 -1.201 1.00 0.00 C ATOM 597 C GLY A 37 7.436 -8.858 -2.210 1.00 0.00 C ATOM 598 O GLY A 37 8.419 -8.232 -2.606 1.00 0.00 O ATOM 0 H GLY A 37 5.863 -11.160 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.243 -9.635 -0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.645 -10.226 -1.095 1.00 0.00 H new ATOM 602 N ARG A 38 6.200 -8.603 -2.626 1.00 0.00 N ATOM 603 CA ARG A 38 5.923 -7.548 -3.593 1.00 0.00 C ATOM 604 C ARG A 38 5.865 -6.187 -2.909 1.00 0.00 C ATOM 605 O ARG A 38 4.840 -5.809 -2.344 1.00 0.00 O ATOM 606 CB ARG A 38 4.603 -7.824 -4.318 1.00 0.00 C ATOM 607 CG ARG A 38 4.418 -6.995 -5.578 1.00 0.00 C ATOM 608 CD ARG A 38 3.764 -7.804 -6.686 1.00 0.00 C ATOM 609 NE ARG A 38 3.560 -7.012 -7.897 1.00 0.00 N ATOM 610 CZ ARG A 38 3.345 -7.538 -9.100 1.00 0.00 C ATOM 611 NH1 ARG A 38 3.302 -8.855 -9.259 1.00 0.00 N ATOM 612 NH2 ARG A 38 3.169 -6.745 -10.147 1.00 0.00 N ATOM 0 H ARG A 38 5.375 -9.112 -2.309 1.00 0.00 H new ATOM 0 HA ARG A 38 6.733 -7.535 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.555 -8.881 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.775 -7.625 -3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.805 -6.122 -5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.386 -6.627 -5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.386 -8.668 -6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.805 -8.186 -6.337 1.00 0.00 H new ATOM 0 HE ARG A 38 3.584 -5.996 -7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.434 -9.470 -8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.137 -9.252 -10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.198 -5.732 -10.030 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.004 -7.147 -11.070 1.00 0.00 H new ATOM 626 N LYS A 39 6.974 -5.457 -2.963 1.00 0.00 N ATOM 627 CA LYS A 39 7.050 -4.137 -2.348 1.00 0.00 C ATOM 628 C LYS A 39 6.193 -3.130 -3.108 1.00 0.00 C ATOM 629 O LYS A 39 6.444 -2.846 -4.279 1.00 0.00 O ATOM 630 CB LYS A 39 8.502 -3.656 -2.299 1.00 0.00 C ATOM 631 CG LYS A 39 9.184 -3.643 -3.659 1.00 0.00 C ATOM 632 CD LYS A 39 10.606 -4.176 -3.574 1.00 0.00 C ATOM 633 CE LYS A 39 11.232 -4.311 -4.953 1.00 0.00 C ATOM 634 NZ LYS A 39 12.704 -4.531 -4.875 1.00 0.00 N ATOM 0 H LYS A 39 7.832 -5.757 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 39 6.667 -4.216 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.529 -2.651 -1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.067 -4.299 -1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.609 -4.247 -4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.198 -2.626 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.211 -3.507 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.603 -5.146 -3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.768 -5.143 -5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.030 -3.411 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.093 -4.618 -5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.150 -3.725 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.897 -5.404 -4.343 1.00 0.00 H new ATOM 648 N ILE A 40 5.181 -2.595 -2.433 1.00 0.00 N ATOM 649 CA ILE A 40 4.285 -1.619 -3.044 1.00 0.00 C ATOM 650 C ILE A 40 3.877 -0.546 -2.039 1.00 0.00 C ATOM 651 O ILE A 40 4.034 -0.722 -0.831 1.00 0.00 O ATOM 652 CB ILE A 40 3.012 -2.288 -3.599 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.354 -3.600 -4.305 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.288 -1.346 -4.549 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.139 -4.342 -4.815 1.00 0.00 C ATOM 0 H ILE A 40 4.961 -2.821 -1.463 1.00 0.00 H new ATOM 0 HA ILE A 40 4.834 -1.161 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 40 2.351 -2.513 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.020 -3.391 -5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.900 -4.243 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.392 -1.834 -4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.007 -0.437 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.946 -1.091 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.454 -5.263 -5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.482 -4.582 -3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.604 -3.716 -5.529 1.00 0.00 H new ATOM 667 N PHE A 41 3.349 0.562 -2.546 1.00 0.00 N ATOM 668 CA PHE A 41 2.914 1.659 -1.691 1.00 0.00 C ATOM 669 C PHE A 41 1.571 2.211 -2.156 1.00 0.00 C ATOM 670 O PHE A 41 1.450 2.710 -3.274 1.00 0.00 O ATOM 671 CB PHE A 41 3.957 2.778 -1.680 1.00 0.00 C ATOM 672 CG PHE A 41 5.285 2.358 -1.118 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.508 2.369 0.249 1.00 0.00 C ATOM 674 CD2 PHE A 41 6.310 1.951 -1.958 1.00 0.00 C ATOM 675 CE1 PHE A 41 6.729 1.982 0.769 1.00 0.00 C ATOM 676 CE2 PHE A 41 7.532 1.563 -1.444 1.00 0.00 C ATOM 677 CZ PHE A 41 7.742 1.580 -0.079 1.00 0.00 C ATOM 0 H PHE A 41 3.212 0.724 -3.544 1.00 0.00 H new ATOM 0 HA PHE A 41 2.800 1.269 -0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.101 3.139 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.573 3.615 -1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.719 2.683 0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.151 1.937 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.890 1.994 1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.322 1.247 -2.109 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.697 1.279 0.325 1.00 0.00 H new ATOM 687 N LEU A 42 0.563 2.118 -1.294 1.00 0.00 N ATOM 688 CA LEU A 42 -0.764 2.611 -1.628 1.00 0.00 C ATOM 689 C LEU A 42 -0.956 4.048 -1.160 1.00 0.00 C ATOM 690 O LEU A 42 -0.592 4.406 -0.041 1.00 0.00 O ATOM 691 CB LEU A 42 -1.852 1.717 -1.022 1.00 0.00 C ATOM 692 CG LEU A 42 -1.521 1.061 0.320 1.00 0.00 C ATOM 693 CD1 LEU A 42 -0.515 -0.070 0.148 1.00 0.00 C ATOM 694 CD2 LEU A 42 -1.023 2.093 1.323 1.00 0.00 C ATOM 0 H LEU A 42 0.641 1.707 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.853 2.586 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.755 2.314 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.087 0.930 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.440 0.627 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.300 -0.516 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.930 -0.828 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.406 0.324 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.795 1.601 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.123 2.571 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.794 2.846 1.483 1.00 0.00 H new ATOM 706 N THR A 43 -1.537 4.867 -2.028 1.00 0.00 N ATOM 707 CA THR A 43 -1.789 6.263 -1.706 1.00 0.00 C ATOM 708 C THR A 43 -3.256 6.469 -1.351 1.00 0.00 C ATOM 709 O THR A 43 -4.139 6.287 -2.191 1.00 0.00 O ATOM 710 CB THR A 43 -1.396 7.163 -2.879 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.389 6.549 -3.664 1.00 0.00 O ATOM 712 CG2 THR A 43 -0.881 8.518 -2.445 1.00 0.00 C ATOM 0 H THR A 43 -1.842 4.587 -2.960 1.00 0.00 H new ATOM 0 HA THR A 43 -1.180 6.533 -0.843 1.00 0.00 H new ATOM 0 HB THR A 43 -2.310 7.308 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.423 6.905 -4.576 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.620 9.107 -3.324 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.654 9.036 -1.878 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.002 8.388 -1.820 1.00 0.00 H new ATOM 720 N ILE A 44 -3.509 6.839 -0.101 1.00 0.00 N ATOM 721 CA ILE A 44 -4.868 7.060 0.372 1.00 0.00 C ATOM 722 C ILE A 44 -5.342 8.469 0.042 1.00 0.00 C ATOM 723 O ILE A 44 -4.842 9.449 0.592 1.00 0.00 O ATOM 724 CB ILE A 44 -4.978 6.837 1.892 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.322 5.509 2.281 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.434 6.862 2.328 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.313 5.256 3.773 1.00 0.00 C ATOM 0 H ILE A 44 -2.788 6.992 0.604 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.502 6.336 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.454 7.645 2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.848 4.694 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.296 5.497 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.494 6.703 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.872 7.829 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.982 6.072 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.834 4.298 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.761 6.052 4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.337 5.235 4.145 1.00 0.00 H new ATOM 739 N ASN A 45 -6.312 8.563 -0.861 1.00 0.00 N ATOM 740 CA ASN A 45 -6.855 9.855 -1.265 1.00 0.00 C ATOM 741 C ASN A 45 -7.858 10.368 -0.238 1.00 0.00 C ATOM 742 O ASN A 45 -8.233 9.654 0.691 1.00 0.00 O ATOM 743 CB ASN A 45 -7.523 9.743 -2.636 1.00 0.00 C ATOM 744 CG ASN A 45 -6.590 9.178 -3.689 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.925 9.921 -4.409 1.00 0.00 O ATOM 746 ND2 ASN A 45 -6.538 7.854 -3.782 1.00 0.00 N ATOM 0 H ASN A 45 -6.738 7.762 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.031 10.565 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.405 9.107 -2.557 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.868 10.728 -2.951 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.928 7.415 -4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.108 7.277 -3.164 1.00 0.00 H new ATOM 753 N ALA A 46 -8.288 11.616 -0.411 1.00 0.00 N ATOM 754 CA ALA A 46 -9.248 12.227 0.502 1.00 0.00 C ATOM 755 C ALA A 46 -10.680 11.915 0.093 1.00 0.00 C ATOM 756 O ALA A 46 -11.630 12.453 0.669 1.00 0.00 O ATOM 757 CB ALA A 46 -9.031 13.731 0.557 1.00 0.00 C ATOM 0 H ALA A 46 -7.987 12.222 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.086 11.805 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.752 14.178 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.020 13.940 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.164 14.155 -0.438 1.00 0.00 H new ATOM 763 N ASP A 47 -10.840 11.043 -0.899 1.00 0.00 N ATOM 764 CA ASP A 47 -12.170 10.660 -1.378 1.00 0.00 C ATOM 765 C ASP A 47 -12.540 9.260 -0.893 1.00 0.00 C ATOM 766 O ASP A 47 -13.700 8.859 -0.955 1.00 0.00 O ATOM 767 CB ASP A 47 -12.220 10.707 -2.910 1.00 0.00 C ATOM 768 CG ASP A 47 -10.850 10.651 -3.565 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.320 9.534 -3.733 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.310 11.724 -3.909 1.00 0.00 O ATOM 0 H ASP A 47 -10.069 10.588 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.891 11.371 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.821 9.872 -3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.725 11.621 -3.221 1.00 0.00 H new ATOM 775 N GLY A 48 -11.540 8.516 -0.422 1.00 0.00 N ATOM 776 CA GLY A 48 -11.780 7.167 0.052 1.00 0.00 C ATOM 777 C GLY A 48 -11.210 6.120 -0.881 1.00 0.00 C ATOM 778 O GLY A 48 -11.520 4.934 -0.763 1.00 0.00 O ATOM 0 H GLY A 48 -10.570 8.825 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.338 7.048 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.853 7.008 0.161 1.00 0.00 H new ATOM 782 N SER A 49 -10.360 6.557 -1.812 1.00 0.00 N ATOM 783 CA SER A 49 -9.746 5.652 -2.768 1.00 0.00 C ATOM 784 C SER A 49 -8.339 5.274 -2.322 1.00 0.00 C ATOM 785 O SER A 49 -7.733 5.956 -1.497 1.00 0.00 O ATOM 786 CB SER A 49 -9.705 6.290 -4.155 1.00 0.00 C ATOM 787 OG SER A 49 -10.420 5.514 -5.096 1.00 0.00 O ATOM 0 H SER A 49 -10.085 7.533 -1.919 1.00 0.00 H new ATOM 0 HA SER A 49 -10.349 4.746 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.129 7.293 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.670 6.396 -4.479 1.00 0.00 H new ATOM 0 HG SER A 49 -10.379 5.946 -5.975 1.00 0.00 H new ATOM 793 N VAL A 50 -7.827 4.180 -2.874 1.00 0.00 N ATOM 794 CA VAL A 50 -6.490 3.707 -2.533 1.00 0.00 C ATOM 795 C VAL A 50 -5.852 2.996 -3.721 1.00 0.00 C ATOM 796 O VAL A 50 -6.351 1.970 -4.181 1.00 0.00 O ATOM 797 CB VAL A 50 -6.521 2.745 -1.327 1.00 0.00 C ATOM 798 CG1 VAL A 50 -5.173 2.731 -0.625 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.629 3.128 -0.356 1.00 0.00 C ATOM 0 H VAL A 50 -8.317 3.604 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.897 4.583 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.729 1.741 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.212 2.048 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.403 2.401 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.936 3.735 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.631 2.435 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.459 4.141 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.591 3.082 -0.866 1.00 0.00 H new ATOM 809 N TYR A 51 -4.749 3.548 -4.220 1.00 0.00 N ATOM 810 CA TYR A 51 -4.055 2.958 -5.361 1.00 0.00 C ATOM 811 C TYR A 51 -2.606 2.632 -5.011 1.00 0.00 C ATOM 812 O TYR A 51 -1.891 3.461 -4.450 1.00 0.00 O ATOM 813 CB TYR A 51 -4.105 3.902 -6.565 1.00 0.00 C ATOM 814 CG TYR A 51 -3.329 5.185 -6.369 1.00 0.00 C ATOM 815 CD1 TYR A 51 -1.959 5.231 -6.592 1.00 0.00 C ATOM 816 CD2 TYR A 51 -3.967 6.349 -5.962 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.245 6.401 -6.415 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.262 7.524 -5.782 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.901 7.544 -6.010 1.00 0.00 C ATOM 820 OH TYR A 51 -1.195 8.712 -5.832 1.00 0.00 O ATOM 0 H TYR A 51 -4.319 4.398 -3.855 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.563 2.029 -5.619 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.713 3.382 -7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.145 4.147 -6.780 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.443 4.337 -6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.032 6.336 -5.783 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.180 6.420 -6.593 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.773 8.421 -5.465 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.806 9.423 -5.546 1.00 0.00 H new ATOM 830 N ALA A 52 -2.181 1.419 -5.350 1.00 0.00 N ATOM 831 CA ALA A 52 -0.819 0.978 -5.070 1.00 0.00 C ATOM 832 C ALA A 52 0.120 1.307 -6.226 1.00 0.00 C ATOM 833 O ALA A 52 -0.129 0.929 -7.370 1.00 0.00 O ATOM 834 CB ALA A 52 -0.797 -0.517 -4.780 1.00 0.00 C ATOM 0 H ALA A 52 -2.761 0.723 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.467 1.515 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.226 -0.832 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.425 -0.729 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.176 -1.061 -5.645 1.00 0.00 H new ATOM 840 N GLU A 53 1.205 2.011 -5.916 1.00 0.00 N ATOM 841 CA GLU A 53 2.187 2.387 -6.923 1.00 0.00 C ATOM 842 C GLU A 53 3.441 1.527 -6.799 1.00 0.00 C ATOM 843 O GLU A 53 3.929 1.281 -5.696 1.00 0.00 O ATOM 844 CB GLU A 53 2.551 3.868 -6.782 1.00 0.00 C ATOM 845 CG GLU A 53 1.784 4.774 -7.731 1.00 0.00 C ATOM 846 CD GLU A 53 2.266 6.210 -7.686 1.00 0.00 C ATOM 847 OE1 GLU A 53 2.091 6.862 -6.634 1.00 0.00 O ATOM 848 OE2 GLU A 53 2.821 6.683 -8.699 1.00 0.00 O ATOM 0 H GLU A 53 1.425 2.332 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 53 1.749 2.222 -7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.361 4.185 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.619 3.990 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.882 4.394 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.724 4.743 -7.479 1.00 0.00 H new ATOM 855 N GLU A 54 3.954 1.070 -7.935 1.00 0.00 N ATOM 856 CA GLU A 54 5.148 0.233 -7.949 1.00 0.00 C ATOM 857 C GLU A 54 6.396 1.060 -8.235 1.00 0.00 C ATOM 858 O GLU A 54 6.505 1.698 -9.283 1.00 0.00 O ATOM 859 CB GLU A 54 5.008 -0.875 -8.995 1.00 0.00 C ATOM 860 CG GLU A 54 5.775 -2.141 -8.646 1.00 0.00 C ATOM 861 CD GLU A 54 5.422 -3.304 -9.552 1.00 0.00 C ATOM 862 OE1 GLU A 54 5.949 -3.357 -10.683 1.00 0.00 O ATOM 863 OE2 GLU A 54 4.619 -4.162 -9.130 1.00 0.00 O ATOM 0 H GLU A 54 3.563 1.264 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 54 5.253 -0.217 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.953 -1.120 -9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.358 -0.501 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.845 -1.944 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.566 -2.414 -7.612 1.00 0.00 H new ATOM 870 N VAL A 55 7.338 1.043 -7.297 1.00 0.00 N ATOM 871 CA VAL A 55 8.581 1.789 -7.447 1.00 0.00 C ATOM 872 C VAL A 55 9.753 0.848 -7.707 1.00 0.00 C ATOM 873 O VAL A 55 10.267 0.212 -6.788 1.00 0.00 O ATOM 874 CB VAL A 55 8.885 2.635 -6.194 1.00 0.00 C ATOM 875 CG1 VAL A 55 10.089 3.533 -6.433 1.00 0.00 C ATOM 876 CG2 VAL A 55 7.669 3.460 -5.795 1.00 0.00 C ATOM 0 H VAL A 55 7.263 0.520 -6.424 1.00 0.00 H new ATOM 0 HA VAL A 55 8.452 2.454 -8.301 1.00 0.00 H new ATOM 0 HB VAL A 55 9.122 1.958 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.287 4.122 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.960 2.920 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.884 4.202 -7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.904 4.050 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.397 4.127 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.834 2.795 -5.577 1.00 0.00 H new ATOM 886 N LYS A 56 10.166 0.760 -8.968 1.00 0.00 N ATOM 887 CA LYS A 56 11.273 -0.110 -9.349 1.00 0.00 C ATOM 888 C LYS A 56 12.385 0.684 -10.032 1.00 0.00 C ATOM 889 O LYS A 56 12.452 0.743 -11.261 1.00 0.00 O ATOM 890 CB LYS A 56 10.781 -1.221 -10.279 1.00 0.00 C ATOM 891 CG LYS A 56 9.787 -0.744 -11.328 1.00 0.00 C ATOM 892 CD LYS A 56 10.028 -1.414 -12.672 1.00 0.00 C ATOM 893 CE LYS A 56 10.768 -0.495 -13.630 1.00 0.00 C ATOM 894 NZ LYS A 56 12.216 -0.829 -13.715 1.00 0.00 N ATOM 0 H LYS A 56 9.751 1.280 -9.742 1.00 0.00 H new ATOM 0 HA LYS A 56 11.677 -0.557 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.639 -1.669 -10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.316 -2.005 -9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.772 -0.956 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.866 0.337 -11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.604 -2.328 -12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.074 -1.705 -13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.320 -0.568 -14.621 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.653 0.538 -13.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.605 -0.464 -14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.720 -0.395 -12.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.337 -1.861 -13.682 1.00 0.00 H new ATOM 908 N PRO A 57 13.279 1.305 -9.242 1.00 0.00 N ATOM 909 CA PRO A 57 14.391 2.092 -9.776 1.00 0.00 C ATOM 910 C PRO A 57 15.530 1.213 -10.281 1.00 0.00 C ATOM 911 O PRO A 57 15.986 0.310 -9.579 1.00 0.00 O ATOM 912 CB PRO A 57 14.841 2.913 -8.570 1.00 0.00 C ATOM 913 CG PRO A 57 14.514 2.058 -7.394 1.00 0.00 C ATOM 914 CD PRO A 57 13.275 1.285 -7.766 1.00 0.00 C ATOM 0 HA PRO A 57 14.097 2.694 -10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.907 3.134 -8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.319 3.869 -8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.338 1.384 -7.162 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.341 2.667 -6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.308 0.266 -7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.376 1.751 -7.362 1.00 0.00 H new ATOM 922 N ASP A 58 15.986 1.479 -11.501 1.00 0.00 N ATOM 923 CA ASP A 58 17.072 0.709 -12.095 1.00 0.00 C ATOM 924 C ASP A 58 17.737 1.485 -13.229 1.00 0.00 C ATOM 925 O ASP A 58 17.228 1.519 -14.350 1.00 0.00 O ATOM 926 CB ASP A 58 16.544 -0.629 -12.620 1.00 0.00 C ATOM 927 CG ASP A 58 17.662 -1.581 -12.997 1.00 0.00 C ATOM 928 OD1 ASP A 58 18.164 -1.485 -14.137 1.00 0.00 O ATOM 929 OD2 ASP A 58 18.035 -2.423 -12.153 1.00 0.00 O ATOM 0 H ASP A 58 15.620 2.222 -12.097 1.00 0.00 H new ATOM 0 HA ASP A 58 17.818 0.524 -11.322 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.916 -1.093 -11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.912 -0.451 -13.490 1.00 0.00 H new ATOM 934 N PRO A 59 18.894 2.120 -12.958 1.00 0.00 N ATOM 935 CA PRO A 59 19.623 2.892 -13.968 1.00 0.00 C ATOM 936 C PRO A 59 20.303 1.999 -15.001 1.00 0.00 C ATOM 937 O PRO A 59 21.526 2.005 -15.135 1.00 0.00 O ATOM 938 CB PRO A 59 20.666 3.649 -13.144 1.00 0.00 C ATOM 939 CG PRO A 59 20.899 2.791 -11.951 1.00 0.00 C ATOM 940 CD PRO A 59 19.579 2.132 -11.650 1.00 0.00 C ATOM 0 HA PRO A 59 18.963 3.539 -14.545 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.585 3.799 -13.710 1.00 0.00 H new ATOM 0 HB3 PRO A 59 20.304 4.636 -12.857 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.670 2.047 -12.150 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.241 3.385 -11.104 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.714 1.124 -11.258 1.00 0.00 H new ATOM 0 HD3 PRO A 59 19.012 2.690 -10.905 1.00 0.00 H new ATOM 948 N SER A 60 19.500 1.229 -15.729 1.00 0.00 N ATOM 949 CA SER A 60 20.022 0.330 -16.751 1.00 0.00 C ATOM 950 C SER A 60 18.948 -0.010 -17.778 1.00 0.00 C ATOM 951 O SER A 60 18.943 -1.102 -18.347 1.00 0.00 O ATOM 952 CB SER A 60 20.552 -0.953 -16.106 1.00 0.00 C ATOM 953 OG SER A 60 21.507 -1.587 -16.941 1.00 0.00 O ATOM 0 H SER A 60 18.485 1.210 -15.630 1.00 0.00 H new ATOM 0 HA SER A 60 20.840 0.837 -17.263 1.00 0.00 H new ATOM 0 HB2 SER A 60 21.005 -0.719 -15.143 1.00 0.00 H new ATOM 0 HB3 SER A 60 19.724 -1.635 -15.912 1.00 0.00 H new ATOM 0 HG SER A 60 21.122 -1.725 -17.832 1.00 0.00 H new ATOM 959 N ASN A 61 18.041 0.931 -18.011 1.00 0.00 N ATOM 960 CA ASN A 61 16.961 0.733 -18.971 1.00 0.00 C ATOM 961 C ASN A 61 16.448 2.070 -19.497 1.00 0.00 C ATOM 962 O ASN A 61 16.560 3.097 -18.827 1.00 0.00 O ATOM 963 CB ASN A 61 15.816 -0.052 -18.326 1.00 0.00 C ATOM 964 CG ASN A 61 15.583 -1.392 -18.998 1.00 0.00 C ATOM 965 OD1 ASN A 61 16.050 -2.428 -18.523 1.00 0.00 O ATOM 966 ND2 ASN A 61 14.859 -1.379 -20.110 1.00 0.00 N ATOM 0 H ASN A 61 18.032 1.840 -17.548 1.00 0.00 H new ATOM 0 HA ASN A 61 17.354 0.162 -19.812 1.00 0.00 H new ATOM 0 HB2 ASN A 61 16.038 -0.211 -17.271 1.00 0.00 H new ATOM 0 HB3 ASN A 61 14.902 0.539 -18.374 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.670 -2.250 -20.606 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.491 -0.498 -20.469 1.00 0.00 H new ATOM 973 N LYS A 62 15.885 2.050 -20.701 1.00 0.00 N ATOM 974 CA LYS A 62 15.356 3.262 -21.317 1.00 0.00 C ATOM 975 C LYS A 62 14.099 2.956 -22.125 1.00 0.00 C ATOM 976 O LYS A 62 13.874 3.536 -23.187 1.00 0.00 O ATOM 977 CB LYS A 62 16.412 3.903 -22.219 1.00 0.00 C ATOM 978 CG LYS A 62 17.046 2.932 -23.201 1.00 0.00 C ATOM 979 CD LYS A 62 17.549 3.646 -24.445 1.00 0.00 C ATOM 980 CE LYS A 62 18.734 4.544 -24.130 1.00 0.00 C ATOM 981 NZ LYS A 62 18.314 5.949 -23.875 1.00 0.00 N ATOM 0 H LYS A 62 15.783 1.209 -21.269 1.00 0.00 H new ATOM 0 HA LYS A 62 15.095 3.960 -20.522 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.954 4.721 -22.775 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.193 4.338 -21.596 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.874 2.413 -22.718 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.317 2.173 -23.486 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.838 2.911 -25.196 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.744 4.242 -24.875 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.260 4.158 -23.257 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.438 4.521 -24.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.136 6.579 -23.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.588 6.225 -24.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.924 6.026 -22.914 1.00 0.00 H new ATOM 995 N LYS A 63 13.278 2.044 -21.613 1.00 0.00 N ATOM 996 CA LYS A 63 12.042 1.663 -22.286 1.00 0.00 C ATOM 997 C LYS A 63 11.056 1.041 -21.302 1.00 0.00 C ATOM 998 O LYS A 63 11.455 0.379 -20.344 1.00 0.00 O ATOM 999 CB LYS A 63 12.339 0.682 -23.424 1.00 0.00 C ATOM 1000 CG LYS A 63 12.223 1.304 -24.807 1.00 0.00 C ATOM 1001 CD LYS A 63 13.038 0.535 -25.832 1.00 0.00 C ATOM 1002 CE LYS A 63 13.678 1.467 -26.846 1.00 0.00 C ATOM 1003 NZ LYS A 63 14.840 2.201 -26.270 1.00 0.00 N ATOM 0 H LYS A 63 13.447 1.555 -20.734 1.00 0.00 H new ATOM 0 HA LYS A 63 11.590 2.563 -22.702 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.346 0.284 -23.297 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.652 -0.161 -23.355 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.177 1.323 -25.112 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.564 2.339 -24.772 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.813 -0.040 -25.325 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.396 -0.179 -26.347 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.005 0.892 -27.712 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.936 2.183 -27.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.941 3.120 -26.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.684 2.354 -25.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.706 1.642 -26.407 1.00 0.00 H new ATOM 1017 N THR A 64 9.769 1.258 -21.547 1.00 0.00 N ATOM 1018 CA THR A 64 8.726 0.718 -20.681 1.00 0.00 C ATOM 1019 C THR A 64 8.177 -0.590 -21.242 1.00 0.00 C ATOM 1020 O THR A 64 7.111 -0.616 -21.857 1.00 0.00 O ATOM 1021 CB THR A 64 7.591 1.733 -20.523 1.00 0.00 C ATOM 1022 OG1 THR A 64 6.473 1.139 -19.887 1.00 0.00 O ATOM 1023 CG2 THR A 64 7.118 2.314 -21.837 1.00 0.00 C ATOM 0 H THR A 64 9.422 1.803 -22.336 1.00 0.00 H new ATOM 0 HA THR A 64 9.166 0.518 -19.704 1.00 0.00 H new ATOM 0 HB THR A 64 8.007 2.539 -19.919 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.759 1.803 -19.794 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.313 3.025 -21.652 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.947 2.824 -22.329 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.753 1.512 -22.479 1.00 0.00 H new ATOM 1031 N THR A 65 8.913 -1.675 -21.024 1.00 0.00 N ATOM 1032 CA THR A 65 8.501 -2.989 -21.507 1.00 0.00 C ATOM 1033 C THR A 65 7.823 -3.788 -20.399 1.00 0.00 C ATOM 1034 O THR A 65 6.628 -4.075 -20.470 1.00 0.00 O ATOM 1035 CB THR A 65 9.708 -3.759 -22.044 1.00 0.00 C ATOM 1036 OG1 THR A 65 10.846 -3.538 -21.231 1.00 0.00 O ATOM 1037 CG2 THR A 65 10.076 -3.382 -23.463 1.00 0.00 C ATOM 0 H THR A 65 9.798 -1.671 -20.516 1.00 0.00 H new ATOM 0 HA THR A 65 7.784 -2.844 -22.315 1.00 0.00 H new ATOM 0 HB THR A 65 9.411 -4.808 -22.030 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.607 -4.040 -21.590 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.940 -3.965 -23.782 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.235 -3.589 -24.124 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.319 -2.320 -23.506 1.00 0.00 H new ATOM 1045 N ALA A 66 8.594 -4.143 -19.377 1.00 0.00 N ATOM 1046 CA ALA A 66 8.069 -4.909 -18.253 1.00 0.00 C ATOM 1047 C ALA A 66 7.526 -6.257 -18.715 1.00 0.00 C ATOM 1048 O ALA A 66 8.214 -7.277 -18.501 1.00 0.00 O ATOM 1049 CB ALA A 66 6.983 -4.118 -17.537 1.00 0.00 C ATOM 1050 OXT ALA A 66 6.414 -6.282 -19.286 1.00 0.00 O ATOM 0 H ALA A 66 9.585 -3.912 -19.304 1.00 0.00 H new ATOM 0 HA ALA A 66 8.887 -5.095 -17.557 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.600 -4.702 -16.700 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.400 -3.182 -17.166 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.171 -3.904 -18.232 1.00 0.00 H new TER 1056 ALA A 66