USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 458 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 3 TYR OH : rot 150:sc= -5.54! USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= -2.04 USER MOD Single : A 2 THR OG1 : rot 24:sc= 0.0965 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.9) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.289) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 30:sc= -0.212 USER MOD Single : A 35 ASN : amide:sc= -1.06 K(o=-1.1,f=-3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 150:sc= -1.49! USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -50:sc= 0.899 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0311 USER MOD Single : A 55 THR OG1 : rot 72:sc= 0.518 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 5.058 -10.025 -2.949 1.00 0.00 N ATOM 18 CA THR A 2 5.556 -8.692 -3.269 1.00 0.00 C ATOM 19 C THR A 2 4.447 -7.652 -3.150 1.00 0.00 C ATOM 20 O THR A 2 3.457 -7.699 -3.878 1.00 0.00 O ATOM 21 CB THR A 2 6.141 -8.669 -4.681 1.00 0.00 C ATOM 22 OG1 THR A 2 7.161 -9.642 -4.817 1.00 0.00 O ATOM 23 CG2 THR A 2 6.732 -7.328 -5.062 1.00 0.00 C ATOM 0 HA THR A 2 6.340 -8.444 -2.553 1.00 0.00 H new ATOM 0 HB THR A 2 5.303 -8.880 -5.345 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.029 -10.349 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.130 -7.380 -6.076 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.957 -6.563 -5.015 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.535 -7.074 -4.370 1.00 0.00 H new ATOM 31 N TYR A 3 4.624 -6.711 -2.225 1.00 0.00 N ATOM 32 CA TYR A 3 3.640 -5.657 -2.010 1.00 0.00 C ATOM 33 C TYR A 3 4.098 -4.352 -2.654 1.00 0.00 C ATOM 34 O TYR A 3 5.249 -3.942 -2.500 1.00 0.00 O ATOM 35 CB TYR A 3 3.396 -5.462 -0.513 1.00 0.00 C ATOM 36 CG TYR A 3 2.150 -6.157 -0.029 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.895 -5.607 -0.257 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.224 -7.372 0.637 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.251 -6.249 0.166 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.082 -8.026 1.056 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.154 -7.459 0.820 1.00 0.00 C ATOM 42 OH TYR A 3 -1.292 -8.108 1.231 1.00 0.00 O ATOM 0 H TYR A 3 5.439 -6.658 -1.614 1.00 0.00 H new ATOM 0 HA TYR A 3 2.703 -5.956 -2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.255 -5.838 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.319 -4.396 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.815 -4.662 -0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.190 -7.813 0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.219 -5.806 -0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.156 -8.976 1.565 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.138 -9.076 1.223 1.00 0.00 H new ATOM 52 N LYS A 4 3.194 -3.714 -3.396 1.00 0.00 N ATOM 53 CA LYS A 4 3.513 -2.464 -4.084 1.00 0.00 C ATOM 54 C LYS A 4 2.876 -1.257 -3.398 1.00 0.00 C ATOM 55 O LYS A 4 1.718 -1.305 -2.984 1.00 0.00 O ATOM 56 CB LYS A 4 3.040 -2.533 -5.536 1.00 0.00 C ATOM 57 CG LYS A 4 3.366 -1.289 -6.346 1.00 0.00 C ATOM 58 CD LYS A 4 3.535 -1.614 -7.822 1.00 0.00 C ATOM 59 CE LYS A 4 2.279 -1.284 -8.608 1.00 0.00 C ATOM 60 NZ LYS A 4 2.522 -1.290 -10.078 1.00 0.00 N ATOM 0 H LYS A 4 2.238 -4.041 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 4 4.595 -2.338 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.497 -3.398 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.962 -2.692 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.570 -0.554 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.281 -0.835 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.377 -1.052 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.772 -2.672 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.500 -2.007 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.909 -0.304 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.639 -1.060 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.247 -0.582 -10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.850 -2.232 -10.372 1.00 0.00 H new ATOM 74 N LEU A 5 3.637 -0.169 -3.305 1.00 0.00 N ATOM 75 CA LEU A 5 3.147 1.064 -2.693 1.00 0.00 C ATOM 76 C LEU A 5 3.591 2.277 -3.502 1.00 0.00 C ATOM 77 O LEU A 5 4.746 2.368 -3.924 1.00 0.00 O ATOM 78 CB LEU A 5 3.643 1.194 -1.251 1.00 0.00 C ATOM 79 CG LEU A 5 3.325 2.526 -0.569 1.00 0.00 C ATOM 80 CD1 LEU A 5 1.821 2.714 -0.443 1.00 0.00 C ATOM 81 CD2 LEU A 5 3.985 2.593 0.800 1.00 0.00 C ATOM 0 H LEU A 5 4.597 -0.116 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 5 2.058 1.022 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.207 0.389 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.723 1.048 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 5 3.723 3.332 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.613 3.667 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.369 2.708 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.402 1.903 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.749 3.547 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.615 1.779 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.065 2.501 0.688 1.00 0.00 H new ATOM 93 N ILE A 6 2.669 3.207 -3.720 1.00 0.00 N ATOM 94 CA ILE A 6 2.970 4.414 -4.477 1.00 0.00 C ATOM 95 C ILE A 6 2.434 5.654 -3.770 1.00 0.00 C ATOM 96 O ILE A 6 1.230 5.780 -3.541 1.00 0.00 O ATOM 97 CB ILE A 6 2.375 4.352 -5.900 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.941 3.816 -5.855 1.00 0.00 C ATOM 99 CG2 ILE A 6 3.241 3.483 -6.799 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.259 3.803 -7.205 1.00 0.00 C ATOM 0 H ILE A 6 1.708 3.148 -3.383 1.00 0.00 H new ATOM 0 HA ILE A 6 4.056 4.478 -4.548 1.00 0.00 H new ATOM 0 HB ILE A 6 2.354 5.361 -6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.953 2.803 -5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.355 4.425 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.808 3.449 -7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.246 3.903 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.291 2.473 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.753 3.412 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.215 4.818 -7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.822 3.170 -7.891 1.00 0.00 H new ATOM 112 N LEU A 7 3.335 6.567 -3.424 1.00 0.00 N ATOM 113 CA LEU A 7 2.948 7.796 -2.742 1.00 0.00 C ATOM 114 C LEU A 7 3.064 8.996 -3.675 1.00 0.00 C ATOM 115 O LEU A 7 4.064 9.156 -4.377 1.00 0.00 O ATOM 116 CB LEU A 7 3.811 8.024 -1.499 1.00 0.00 C ATOM 117 CG LEU A 7 3.560 7.051 -0.344 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.757 6.126 -0.147 1.00 0.00 C ATOM 119 CD2 LEU A 7 3.254 7.811 0.939 1.00 0.00 C ATOM 0 H LEU A 7 4.335 6.480 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 7 1.908 7.689 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.860 7.958 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.643 9.040 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 7 2.694 6.439 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.557 5.443 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.928 5.553 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.642 6.720 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.078 7.103 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.099 8.451 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.365 8.425 0.795 1.00 0.00 H new ATOM 131 N ASN A 8 2.034 9.838 -3.681 1.00 0.00 N ATOM 132 CA ASN A 8 2.027 11.025 -4.528 1.00 0.00 C ATOM 133 C ASN A 8 1.940 12.293 -3.685 1.00 0.00 C ATOM 134 O ASN A 8 0.869 12.648 -3.188 1.00 0.00 O ATOM 135 CB ASN A 8 0.858 10.971 -5.516 1.00 0.00 C ATOM 136 CG ASN A 8 0.697 9.604 -6.153 1.00 0.00 C ATOM 137 OD1 ASN A 8 0.995 9.416 -7.331 1.00 0.00 O ATOM 138 ND2 ASN A 8 0.222 8.641 -5.371 1.00 0.00 N ATOM 0 H ASN A 8 1.197 9.720 -3.111 1.00 0.00 H new ATOM 0 HA ASN A 8 2.962 11.045 -5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.063 11.238 -4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.012 11.716 -6.297 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.091 7.700 -5.743 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.012 8.842 -4.399 1.00 0.00 H new ATOM 145 N LEU A 9 3.070 12.975 -3.529 1.00 0.00 N ATOM 146 CA LEU A 9 3.118 14.206 -2.747 1.00 0.00 C ATOM 147 C LEU A 9 2.743 15.404 -3.607 1.00 0.00 C ATOM 148 O LEU A 9 2.471 15.266 -4.799 1.00 0.00 O ATOM 149 CB LEU A 9 4.511 14.401 -2.148 1.00 0.00 C ATOM 150 CG LEU A 9 4.726 13.755 -0.774 1.00 0.00 C ATOM 151 CD1 LEU A 9 6.159 13.958 -0.312 1.00 0.00 C ATOM 152 CD2 LEU A 9 3.752 14.330 0.242 1.00 0.00 C ATOM 0 H LEU A 9 3.964 12.697 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 9 2.395 14.124 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.248 13.996 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.707 15.470 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 9 4.540 12.685 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.296 13.494 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.841 13.501 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.370 15.025 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.918 13.861 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.908 15.405 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.730 14.137 -0.084 1.00 0.00 H new ATOM 164 N LYS A 10 2.738 16.586 -2.996 1.00 0.00 N ATOM 165 CA LYS A 10 2.405 17.812 -3.708 1.00 0.00 C ATOM 166 C LYS A 10 3.641 18.447 -4.324 1.00 0.00 C ATOM 167 O LYS A 10 3.552 19.484 -4.988 1.00 0.00 O ATOM 168 CB LYS A 10 1.726 18.800 -2.763 1.00 0.00 C ATOM 169 CG LYS A 10 0.303 19.158 -3.178 1.00 0.00 C ATOM 170 CD LYS A 10 0.295 20.070 -4.397 1.00 0.00 C ATOM 171 CE LYS A 10 -0.786 21.135 -4.287 1.00 0.00 C ATOM 172 NZ LYS A 10 -2.116 20.614 -4.700 1.00 0.00 N ATOM 0 H LYS A 10 2.961 16.718 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 10 1.719 17.556 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.708 18.376 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.322 19.711 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.254 18.247 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.207 19.650 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.269 20.548 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.133 19.476 -5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.839 21.495 -3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.520 21.989 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.827 21.368 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.072 20.294 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.381 19.815 -4.089 1.00 0.00 H new ATOM 186 N GLN A 11 4.804 17.837 -4.109 1.00 0.00 N ATOM 187 CA GLN A 11 6.055 18.355 -4.649 1.00 0.00 C ATOM 188 C GLN A 11 6.700 17.350 -5.599 1.00 0.00 C ATOM 189 O GLN A 11 7.221 17.718 -6.648 1.00 0.00 O ATOM 190 CB GLN A 11 7.021 18.692 -3.514 1.00 0.00 C ATOM 191 CG GLN A 11 7.242 17.549 -2.539 1.00 0.00 C ATOM 192 CD GLN A 11 8.337 17.847 -1.532 1.00 0.00 C ATOM 193 OE1 GLN A 11 9.520 17.677 -1.813 1.00 0.00 O ATOM 194 NE2 GLN A 11 7.943 18.293 -0.345 1.00 0.00 N ATOM 0 H GLN A 11 4.904 16.981 -3.563 1.00 0.00 H new ATOM 0 HA GLN A 11 5.830 19.262 -5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.981 18.984 -3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.639 19.555 -2.968 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.312 17.343 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.499 16.647 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.950 18.420 -0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.634 18.508 0.374 1.00 0.00 H new ATOM 203 N ALA A 12 6.658 16.074 -5.218 1.00 0.00 N ATOM 204 CA ALA A 12 7.243 15.019 -6.037 1.00 0.00 C ATOM 205 C ALA A 12 6.461 13.721 -5.898 1.00 0.00 C ATOM 206 O ALA A 12 5.630 13.576 -5.001 1.00 0.00 O ATOM 207 CB ALA A 12 8.698 14.800 -5.658 1.00 0.00 C ATOM 0 H ALA A 12 6.227 15.749 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 12 7.194 15.335 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.121 14.009 -6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.258 15.722 -5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.761 14.511 -4.609 1.00 0.00 H new ATOM 213 N LYS A 13 6.727 12.774 -6.793 1.00 0.00 N ATOM 214 CA LYS A 13 6.047 11.482 -6.771 1.00 0.00 C ATOM 215 C LYS A 13 7.036 10.362 -6.469 1.00 0.00 C ATOM 216 O LYS A 13 7.980 10.128 -7.222 1.00 0.00 O ATOM 217 CB LYS A 13 5.360 11.229 -8.115 1.00 0.00 C ATOM 218 CG LYS A 13 3.957 10.664 -7.977 1.00 0.00 C ATOM 219 CD LYS A 13 3.541 9.901 -9.225 1.00 0.00 C ATOM 220 CE LYS A 13 3.532 10.798 -10.450 1.00 0.00 C ATOM 221 NZ LYS A 13 4.786 10.663 -11.245 1.00 0.00 N ATOM 0 H LYS A 13 7.410 12.877 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 13 5.293 11.499 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.314 12.164 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.966 10.538 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.913 10.002 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.253 11.475 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.225 9.068 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.549 9.475 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.676 10.549 -11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.408 11.836 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.617 10.989 -12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.535 11.239 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.082 9.666 -11.261 1.00 0.00 H new ATOM 235 N GLU A 14 6.804 9.663 -5.356 1.00 0.00 N ATOM 236 CA GLU A 14 7.677 8.568 -4.954 1.00 0.00 C ATOM 237 C GLU A 14 6.926 7.240 -4.972 1.00 0.00 C ATOM 238 O GLU A 14 5.770 7.162 -4.556 1.00 0.00 O ATOM 239 CB GLU A 14 8.243 8.827 -3.556 1.00 0.00 C ATOM 240 CG GLU A 14 8.809 10.226 -3.376 1.00 0.00 C ATOM 241 CD GLU A 14 10.046 10.461 -4.219 1.00 0.00 C ATOM 242 OE1 GLU A 14 10.693 9.472 -4.623 1.00 0.00 O ATOM 243 OE2 GLU A 14 10.371 11.639 -4.477 1.00 0.00 O ATOM 0 H GLU A 14 6.023 9.837 -4.723 1.00 0.00 H new ATOM 0 HA GLU A 14 8.499 8.511 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.456 8.665 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.027 8.098 -3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.048 10.960 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.053 10.384 -2.325 1.00 0.00 H new ATOM 250 N GLU A 15 7.593 6.198 -5.459 1.00 0.00 N ATOM 251 CA GLU A 15 6.992 4.871 -5.534 1.00 0.00 C ATOM 252 C GLU A 15 8.050 3.789 -5.344 1.00 0.00 C ATOM 253 O GLU A 15 9.198 3.952 -5.757 1.00 0.00 O ATOM 254 CB GLU A 15 6.283 4.679 -6.876 1.00 0.00 C ATOM 255 CG GLU A 15 7.088 5.182 -8.064 1.00 0.00 C ATOM 256 CD GLU A 15 6.819 4.386 -9.327 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.606 3.159 -9.224 1.00 0.00 O ATOM 258 OE2 GLU A 15 6.819 4.991 -10.421 1.00 0.00 O ATOM 0 H GLU A 15 8.550 6.247 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 15 6.258 4.786 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.067 3.620 -7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.325 5.199 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.850 6.231 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.151 5.132 -7.826 1.00 0.00 H new ATOM 265 N ALA A 16 7.658 2.684 -4.718 1.00 0.00 N ATOM 266 CA ALA A 16 8.580 1.580 -4.475 1.00 0.00 C ATOM 267 C ALA A 16 7.836 0.257 -4.333 1.00 0.00 C ATOM 268 O ALA A 16 6.606 0.218 -4.352 1.00 0.00 O ATOM 269 CB ALA A 16 9.415 1.852 -3.235 1.00 0.00 C ATOM 0 H ALA A 16 6.711 2.529 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 16 9.242 1.501 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.098 1.020 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.988 2.769 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.759 1.963 -2.372 1.00 0.00 H new ATOM 275 N ILE A 17 8.592 -0.827 -4.185 1.00 0.00 N ATOM 276 CA ILE A 17 8.009 -2.156 -4.037 1.00 0.00 C ATOM 277 C ILE A 17 8.670 -2.917 -2.890 1.00 0.00 C ATOM 278 O ILE A 17 9.888 -2.863 -2.721 1.00 0.00 O ATOM 279 CB ILE A 17 8.147 -2.988 -5.330 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.954 -2.106 -6.565 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.147 -4.136 -5.330 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.558 -1.542 -6.694 1.00 0.00 C ATOM 0 H ILE A 17 9.612 -0.811 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 17 6.950 -2.011 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 17 9.153 -3.405 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.667 -1.283 -6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.185 -2.688 -7.457 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.256 -4.714 -6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.333 -4.781 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.135 -3.737 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.495 -0.927 -7.592 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.840 -2.359 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.330 -0.932 -5.820 1.00 0.00 H new ATOM 294 N LYS A 18 7.863 -3.621 -2.106 1.00 0.00 N ATOM 295 CA LYS A 18 8.374 -4.389 -0.972 1.00 0.00 C ATOM 296 C LYS A 18 7.904 -5.838 -1.039 1.00 0.00 C ATOM 297 O LYS A 18 7.090 -6.197 -1.887 1.00 0.00 O ATOM 298 CB LYS A 18 7.925 -3.762 0.353 1.00 0.00 C ATOM 299 CG LYS A 18 7.884 -2.244 0.340 1.00 0.00 C ATOM 300 CD LYS A 18 9.233 -1.638 0.686 1.00 0.00 C ATOM 301 CE LYS A 18 9.981 -1.191 -0.558 1.00 0.00 C ATOM 302 NZ LYS A 18 10.717 0.082 -0.335 1.00 0.00 N ATOM 0 H LYS A 18 6.852 -3.678 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 18 9.463 -4.371 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.933 -4.139 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.599 -4.089 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.572 -1.898 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.136 -1.895 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.090 -0.786 1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.832 -2.369 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.683 -1.969 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.276 -1.064 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.214 0.353 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.044 0.831 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.408 -0.046 0.432 1.00 0.00 H new ATOM 316 N GLU A 19 8.423 -6.664 -0.135 1.00 0.00 N ATOM 317 CA GLU A 19 8.052 -8.074 -0.084 1.00 0.00 C ATOM 318 C GLU A 19 7.333 -8.391 1.224 1.00 0.00 C ATOM 319 O GLU A 19 7.606 -7.778 2.255 1.00 0.00 O ATOM 320 CB GLU A 19 9.297 -8.956 -0.228 1.00 0.00 C ATOM 321 CG GLU A 19 9.192 -9.976 -1.351 1.00 0.00 C ATOM 322 CD GLU A 19 10.545 -10.360 -1.919 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.320 -11.030 -1.207 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.830 -9.986 -3.076 1.00 0.00 O ATOM 0 H GLU A 19 9.102 -6.381 0.572 1.00 0.00 H new ATOM 0 HA GLU A 19 7.375 -8.282 -0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.164 -8.320 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.472 -9.479 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.691 -10.870 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.569 -9.570 -2.148 1.00 0.00 H new ATOM 331 N LEU A 20 6.410 -9.348 1.177 1.00 0.00 N ATOM 332 CA LEU A 20 5.653 -9.734 2.363 1.00 0.00 C ATOM 333 C LEU A 20 4.851 -11.007 2.116 1.00 0.00 C ATOM 334 O LEU A 20 5.032 -11.677 1.099 1.00 0.00 O ATOM 335 CB LEU A 20 4.723 -8.595 2.778 1.00 0.00 C ATOM 336 CG LEU A 20 4.846 -8.165 4.243 1.00 0.00 C ATOM 337 CD1 LEU A 20 5.013 -6.657 4.350 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.634 -8.631 5.035 1.00 0.00 C ATOM 0 H LEU A 20 6.169 -9.868 0.333 1.00 0.00 H new ATOM 0 HA LEU A 20 6.359 -9.935 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.923 -7.732 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.693 -8.898 2.588 1.00 0.00 H new ATOM 0 HG LEU A 20 5.735 -8.633 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.098 -6.374 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.914 -6.352 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.147 -6.163 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.736 -8.318 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.731 -8.192 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.565 -9.718 4.989 1.00 0.00 H new ATOM 350 N VAL A 21 3.964 -11.343 3.052 1.00 0.00 N ATOM 351 CA VAL A 21 3.144 -12.547 2.924 1.00 0.00 C ATOM 352 C VAL A 21 1.653 -12.220 3.012 1.00 0.00 C ATOM 353 O VAL A 21 0.836 -12.835 2.326 1.00 0.00 O ATOM 354 CB VAL A 21 3.497 -13.590 4.003 1.00 0.00 C ATOM 355 CG1 VAL A 21 2.751 -14.890 3.754 1.00 0.00 C ATOM 356 CG2 VAL A 21 5.001 -13.828 4.043 1.00 0.00 C ATOM 0 H VAL A 21 3.796 -10.803 3.901 1.00 0.00 H new ATOM 0 HA VAL A 21 3.360 -12.966 1.941 1.00 0.00 H new ATOM 0 HB VAL A 21 3.187 -13.202 4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.013 -15.614 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.677 -14.704 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.027 -15.286 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.232 -14.567 4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.337 -14.195 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.511 -12.893 4.274 1.00 0.00 H new ATOM 366 N ASP A 22 1.302 -11.251 3.855 1.00 0.00 N ATOM 367 CA ASP A 22 -0.092 -10.854 4.023 1.00 0.00 C ATOM 368 C ASP A 22 -0.220 -9.335 4.015 1.00 0.00 C ATOM 369 O ASP A 22 0.767 -8.619 4.175 1.00 0.00 O ATOM 370 CB ASP A 22 -0.649 -11.420 5.329 1.00 0.00 C ATOM 371 CG ASP A 22 -2.155 -11.272 5.427 1.00 0.00 C ATOM 372 OD1 ASP A 22 -2.837 -11.449 4.394 1.00 0.00 O ATOM 373 OD2 ASP A 22 -2.653 -10.982 6.535 1.00 0.00 O ATOM 0 H ASP A 22 1.962 -10.728 4.430 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.668 -11.256 3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.384 -12.475 5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.181 -10.911 6.171 1.00 0.00 H new ATOM 378 N ALA A 23 -1.442 -8.845 3.825 1.00 0.00 N ATOM 379 CA ALA A 23 -1.683 -7.409 3.799 1.00 0.00 C ATOM 380 C ALA A 23 -1.698 -6.827 5.203 1.00 0.00 C ATOM 381 O ALA A 23 -1.291 -5.686 5.413 1.00 0.00 O ATOM 382 CB ALA A 23 -2.983 -7.092 3.077 1.00 0.00 C ATOM 0 H ALA A 23 -2.274 -9.418 3.688 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.862 -6.946 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.142 -6.014 3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.928 -7.457 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.812 -7.578 3.591 1.00 0.00 H new ATOM 388 N ALA A 24 -2.157 -7.614 6.169 1.00 0.00 N ATOM 389 CA ALA A 24 -2.200 -7.159 7.551 1.00 0.00 C ATOM 390 C ALA A 24 -0.837 -6.612 7.954 1.00 0.00 C ATOM 391 O ALA A 24 -0.716 -5.483 8.434 1.00 0.00 O ATOM 392 CB ALA A 24 -2.617 -8.295 8.476 1.00 0.00 C ATOM 0 H ALA A 24 -2.502 -8.563 6.022 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.940 -6.364 7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.643 -7.936 9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.607 -8.652 8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.900 -9.112 8.395 1.00 0.00 H new ATOM 398 N THR A 25 0.193 -7.418 7.722 1.00 0.00 N ATOM 399 CA THR A 25 1.552 -7.012 8.032 1.00 0.00 C ATOM 400 C THR A 25 1.993 -5.919 7.074 1.00 0.00 C ATOM 401 O THR A 25 2.603 -4.930 7.487 1.00 0.00 O ATOM 402 CB THR A 25 2.510 -8.205 7.949 1.00 0.00 C ATOM 403 OG1 THR A 25 2.357 -9.048 9.078 1.00 0.00 O ATOM 404 CG2 THR A 25 3.973 -7.801 7.874 1.00 0.00 C ATOM 0 H THR A 25 0.110 -8.352 7.322 1.00 0.00 H new ATOM 0 HA THR A 25 1.575 -6.628 9.052 1.00 0.00 H new ATOM 0 HB THR A 25 2.246 -8.722 7.027 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.975 -9.805 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.595 -8.694 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.136 -7.188 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.239 -7.230 8.763 1.00 0.00 H new ATOM 412 N ALA A 26 1.678 -6.091 5.794 1.00 0.00 N ATOM 413 CA ALA A 26 2.048 -5.099 4.798 1.00 0.00 C ATOM 414 C ALA A 26 1.564 -3.734 5.251 1.00 0.00 C ATOM 415 O ALA A 26 2.325 -2.778 5.324 1.00 0.00 O ATOM 416 CB ALA A 26 1.461 -5.455 3.437 1.00 0.00 C ATOM 0 H ALA A 26 1.174 -6.898 5.428 1.00 0.00 H new ATOM 0 HA ALA A 26 3.133 -5.080 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.750 -4.699 2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.838 -6.428 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.374 -5.493 3.508 1.00 0.00 H new ATOM 422 N GLU A 27 0.285 -3.674 5.587 1.00 0.00 N ATOM 423 CA GLU A 27 -0.335 -2.451 6.070 1.00 0.00 C ATOM 424 C GLU A 27 0.473 -1.861 7.216 1.00 0.00 C ATOM 425 O GLU A 27 0.572 -0.646 7.359 1.00 0.00 O ATOM 426 CB GLU A 27 -1.756 -2.748 6.540 1.00 0.00 C ATOM 427 CG GLU A 27 -2.496 -1.526 7.059 1.00 0.00 C ATOM 428 CD GLU A 27 -3.336 -1.829 8.285 1.00 0.00 C ATOM 429 OE1 GLU A 27 -2.775 -1.846 9.399 1.00 0.00 O ATOM 430 OE2 GLU A 27 -4.556 -2.051 8.127 1.00 0.00 O ATOM 0 H GLU A 27 -0.351 -4.470 5.533 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.364 -1.727 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.320 -3.179 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.719 -3.501 7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.775 -0.745 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.139 -1.133 6.271 1.00 0.00 H new ATOM 437 N LYS A 28 1.060 -2.732 8.028 1.00 0.00 N ATOM 438 CA LYS A 28 1.866 -2.286 9.156 1.00 0.00 C ATOM 439 C LYS A 28 3.176 -1.682 8.664 1.00 0.00 C ATOM 440 O LYS A 28 3.586 -0.607 9.102 1.00 0.00 O ATOM 441 CB LYS A 28 2.151 -3.454 10.105 1.00 0.00 C ATOM 442 CG LYS A 28 2.389 -3.023 11.543 1.00 0.00 C ATOM 443 CD LYS A 28 2.742 -4.208 12.428 1.00 0.00 C ATOM 444 CE LYS A 28 1.508 -5.022 12.786 1.00 0.00 C ATOM 445 NZ LYS A 28 1.505 -5.419 14.223 1.00 0.00 N ATOM 0 H LYS A 28 0.993 -3.745 7.927 1.00 0.00 H new ATOM 0 HA LYS A 28 1.308 -1.523 9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.311 -4.148 10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.026 -3.997 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.195 -2.290 11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.496 -2.532 11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.463 -4.845 11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.222 -3.853 13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.613 -4.440 12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.468 -5.915 12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.649 -5.972 14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.346 -5.996 14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.518 -4.567 14.819 1.00 0.00 H new ATOM 459 N TYR A 29 3.825 -2.388 7.746 1.00 0.00 N ATOM 460 CA TYR A 29 5.090 -1.938 7.179 1.00 0.00 C ATOM 461 C TYR A 29 4.877 -0.818 6.164 1.00 0.00 C ATOM 462 O TYR A 29 5.418 0.278 6.307 1.00 0.00 O ATOM 463 CB TYR A 29 5.805 -3.114 6.506 1.00 0.00 C ATOM 464 CG TYR A 29 7.109 -2.734 5.845 1.00 0.00 C ATOM 465 CD1 TYR A 29 7.119 -2.009 4.661 1.00 0.00 C ATOM 466 CD2 TYR A 29 8.328 -3.100 6.401 1.00 0.00 C ATOM 467 CE1 TYR A 29 8.306 -1.654 4.050 1.00 0.00 C ATOM 468 CE2 TYR A 29 9.521 -2.748 5.797 1.00 0.00 C ATOM 469 CZ TYR A 29 9.503 -2.028 4.621 1.00 0.00 C ATOM 470 OH TYR A 29 10.690 -1.677 4.015 1.00 0.00 O ATOM 0 H TYR A 29 3.494 -3.279 7.377 1.00 0.00 H new ATOM 0 HA TYR A 29 5.704 -1.549 7.991 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.997 -3.886 7.251 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.143 -3.551 5.759 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.182 -1.717 4.210 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.344 -3.668 7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.296 -1.087 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.461 -3.035 6.244 1.00 0.00 H new ATOM 0 HH TYR A 29 11.441 -2.016 4.545 1.00 0.00 H new ATOM 480 N PHE A 30 4.100 -1.114 5.127 1.00 0.00 N ATOM 481 CA PHE A 30 3.824 -0.152 4.066 1.00 0.00 C ATOM 482 C PHE A 30 3.318 1.176 4.626 1.00 0.00 C ATOM 483 O PHE A 30 3.723 2.243 4.164 1.00 0.00 O ATOM 484 CB PHE A 30 2.808 -0.742 3.075 1.00 0.00 C ATOM 485 CG PHE A 30 3.370 -1.064 1.706 1.00 0.00 C ATOM 486 CD1 PHE A 30 4.646 -0.655 1.331 1.00 0.00 C ATOM 487 CD2 PHE A 30 2.614 -1.781 0.794 1.00 0.00 C ATOM 488 CE1 PHE A 30 5.149 -0.957 0.081 1.00 0.00 C ATOM 489 CE2 PHE A 30 3.113 -2.083 -0.458 1.00 0.00 C ATOM 490 CZ PHE A 30 4.382 -1.673 -0.815 1.00 0.00 C ATOM 0 H PHE A 30 3.648 -2.019 4.999 1.00 0.00 H new ATOM 0 HA PHE A 30 4.759 0.051 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.390 -1.653 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.985 -0.037 2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.251 -0.094 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.621 -2.108 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.142 -0.633 -0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.510 -2.641 -1.159 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.773 -1.912 -1.793 1.00 0.00 H new ATOM 500 N LYS A 31 2.442 1.115 5.622 1.00 0.00 N ATOM 501 CA LYS A 31 1.907 2.329 6.227 1.00 0.00 C ATOM 502 C LYS A 31 2.986 3.054 7.022 1.00 0.00 C ATOM 503 O LYS A 31 3.015 4.283 7.069 1.00 0.00 O ATOM 504 CB LYS A 31 0.716 2.006 7.131 1.00 0.00 C ATOM 505 CG LYS A 31 -0.067 3.236 7.564 1.00 0.00 C ATOM 506 CD LYS A 31 -0.581 3.095 8.985 1.00 0.00 C ATOM 507 CE LYS A 31 -2.032 2.647 9.011 1.00 0.00 C ATOM 508 NZ LYS A 31 -2.823 3.383 10.037 1.00 0.00 N ATOM 0 H LYS A 31 2.090 0.247 6.025 1.00 0.00 H new ATOM 0 HA LYS A 31 1.566 2.983 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.046 1.324 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.074 1.482 8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.569 4.118 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.906 3.392 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.033 2.374 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.484 4.049 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.478 2.803 8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.078 1.577 9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.807 3.048 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.414 3.214 10.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.801 4.401 9.828 1.00 0.00 H new ATOM 522 N LEU A 32 3.880 2.285 7.637 1.00 0.00 N ATOM 523 CA LEU A 32 4.967 2.859 8.419 1.00 0.00 C ATOM 524 C LEU A 32 5.959 3.582 7.511 1.00 0.00 C ATOM 525 O LEU A 32 6.651 4.508 7.939 1.00 0.00 O ATOM 526 CB LEU A 32 5.683 1.768 9.220 1.00 0.00 C ATOM 527 CG LEU A 32 5.553 1.892 10.738 1.00 0.00 C ATOM 528 CD1 LEU A 32 4.554 0.878 11.270 1.00 0.00 C ATOM 529 CD2 LEU A 32 6.907 1.710 11.409 1.00 0.00 C ATOM 0 H LEU A 32 3.872 1.265 7.608 1.00 0.00 H new ATOM 0 HA LEU A 32 4.542 3.583 9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.291 0.798 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.741 1.781 8.959 1.00 0.00 H new ATOM 0 HG LEU A 32 5.187 2.892 10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.473 0.980 12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.579 1.055 10.815 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.892 -0.129 11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.793 1.802 12.489 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.303 0.723 11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.596 2.474 11.051 1.00 0.00 H new ATOM 541 N TYR A 33 6.023 3.154 6.253 1.00 0.00 N ATOM 542 CA TYR A 33 6.924 3.755 5.279 1.00 0.00 C ATOM 543 C TYR A 33 6.342 5.060 4.741 1.00 0.00 C ATOM 544 O TYR A 33 6.975 6.112 4.814 1.00 0.00 O ATOM 545 CB TYR A 33 7.184 2.773 4.130 1.00 0.00 C ATOM 546 CG TYR A 33 7.818 3.397 2.905 1.00 0.00 C ATOM 547 CD1 TYR A 33 7.057 4.124 1.996 1.00 0.00 C ATOM 548 CD2 TYR A 33 9.178 3.254 2.656 1.00 0.00 C ATOM 549 CE1 TYR A 33 7.635 4.690 0.876 1.00 0.00 C ATOM 550 CE2 TYR A 33 9.763 3.818 1.537 1.00 0.00 C ATOM 551 CZ TYR A 33 8.986 4.534 0.652 1.00 0.00 C ATOM 552 OH TYR A 33 9.565 5.098 -0.463 1.00 0.00 O ATOM 0 H TYR A 33 5.458 2.389 5.885 1.00 0.00 H new ATOM 0 HA TYR A 33 7.870 3.981 5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.831 1.973 4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.239 2.313 3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.998 4.248 2.168 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.788 2.693 3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.031 5.252 0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.821 3.698 1.358 1.00 0.00 H new ATOM 0 HH TYR A 33 9.075 5.910 -0.711 1.00 0.00 H new ATOM 562 N ALA A 34 5.133 4.980 4.199 1.00 0.00 N ATOM 563 CA ALA A 34 4.462 6.148 3.643 1.00 0.00 C ATOM 564 C ALA A 34 4.333 7.266 4.674 1.00 0.00 C ATOM 565 O ALA A 34 4.267 8.441 4.318 1.00 0.00 O ATOM 566 CB ALA A 34 3.093 5.757 3.109 1.00 0.00 C ATOM 0 H ALA A 34 4.596 4.115 4.133 1.00 0.00 H new ATOM 0 HA ALA A 34 5.071 6.527 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.599 6.636 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.208 5.005 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.489 5.349 3.920 1.00 0.00 H new ATOM 572 N ASN A 35 4.295 6.895 5.949 1.00 0.00 N ATOM 573 CA ASN A 35 4.170 7.872 7.025 1.00 0.00 C ATOM 574 C ASN A 35 5.533 8.421 7.438 1.00 0.00 C ATOM 575 O ASN A 35 5.698 9.627 7.624 1.00 0.00 O ATOM 576 CB ASN A 35 3.474 7.243 8.234 1.00 0.00 C ATOM 577 CG ASN A 35 2.986 8.280 9.224 1.00 0.00 C ATOM 578 OD1 ASN A 35 1.802 8.608 9.266 1.00 0.00 O ATOM 579 ND2 ASN A 35 3.903 8.805 10.033 1.00 0.00 N ATOM 0 H ASN A 35 4.349 5.926 6.263 1.00 0.00 H new ATOM 0 HA ASN A 35 3.568 8.701 6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.629 6.645 7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.164 6.564 8.734 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.634 9.508 10.721 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.875 8.504 9.965 1.00 0.00 H new ATOM 586 N ALA A 36 6.505 7.528 7.588 1.00 0.00 N ATOM 587 CA ALA A 36 7.852 7.922 7.991 1.00 0.00 C ATOM 588 C ALA A 36 8.618 8.565 6.838 1.00 0.00 C ATOM 589 O ALA A 36 9.516 9.380 7.055 1.00 0.00 O ATOM 590 CB ALA A 36 8.617 6.718 8.521 1.00 0.00 C ATOM 0 H ALA A 36 6.386 6.526 7.437 1.00 0.00 H new ATOM 0 HA ALA A 36 7.757 8.664 8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.620 7.026 8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.094 6.305 9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.686 5.959 7.742 1.00 0.00 H new ATOM 596 N LYS A 37 8.264 8.193 5.612 1.00 0.00 N ATOM 597 CA LYS A 37 8.928 8.734 4.431 1.00 0.00 C ATOM 598 C LYS A 37 8.400 10.125 4.086 1.00 0.00 C ATOM 599 O LYS A 37 9.085 11.127 4.290 1.00 0.00 O ATOM 600 CB LYS A 37 8.741 7.794 3.236 1.00 0.00 C ATOM 601 CG LYS A 37 9.313 6.406 3.464 1.00 0.00 C ATOM 602 CD LYS A 37 10.790 6.345 3.114 1.00 0.00 C ATOM 603 CE LYS A 37 11.033 6.663 1.647 1.00 0.00 C ATOM 604 NZ LYS A 37 11.846 7.897 1.473 1.00 0.00 N ATOM 0 H LYS A 37 7.523 7.521 5.410 1.00 0.00 H new ATOM 0 HA LYS A 37 9.991 8.819 4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.677 7.708 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.215 8.235 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.174 6.121 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.765 5.682 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.341 7.051 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.177 5.351 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.542 5.823 1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.076 6.784 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.989 8.078 0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.349 8.703 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.769 7.773 1.936 1.00 0.00 H new ATOM 618 N THR A 38 7.180 10.181 3.562 1.00 0.00 N ATOM 619 CA THR A 38 6.570 11.452 3.186 1.00 0.00 C ATOM 620 C THR A 38 5.495 11.864 4.192 1.00 0.00 C ATOM 621 O THR A 38 5.763 12.631 5.116 1.00 0.00 O ATOM 622 CB THR A 38 5.970 11.358 1.781 1.00 0.00 C ATOM 623 OG1 THR A 38 5.136 10.218 1.665 1.00 0.00 O ATOM 624 CG2 THR A 38 7.018 11.273 0.690 1.00 0.00 C ATOM 0 H THR A 38 6.595 9.364 3.388 1.00 0.00 H new ATOM 0 HA THR A 38 7.349 12.215 3.189 1.00 0.00 H new ATOM 0 HB THR A 38 5.400 12.278 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.424 10.398 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.528 11.209 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.648 12.162 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.634 10.387 0.845 1.00 0.00 H new ATOM 632 N VAL A 39 4.278 11.358 4.005 1.00 0.00 N ATOM 633 CA VAL A 39 3.168 11.677 4.894 1.00 0.00 C ATOM 634 C VAL A 39 2.041 10.665 4.751 1.00 0.00 C ATOM 635 O VAL A 39 2.097 9.770 3.907 1.00 0.00 O ATOM 636 CB VAL A 39 2.612 13.090 4.622 1.00 0.00 C ATOM 637 CG1 VAL A 39 3.503 14.147 5.251 1.00 0.00 C ATOM 638 CG2 VAL A 39 2.466 13.326 3.124 1.00 0.00 C ATOM 0 H VAL A 39 4.037 10.724 3.243 1.00 0.00 H new ATOM 0 HA VAL A 39 3.560 11.640 5.910 1.00 0.00 H new ATOM 0 HB VAL A 39 1.625 13.166 5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.093 15.136 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.551 13.989 6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.506 14.076 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.073 14.328 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.440 13.230 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.781 12.589 2.705 1.00 0.00 H new ATOM 648 N GLU A 40 1.012 10.814 5.580 1.00 0.00 N ATOM 649 CA GLU A 40 -0.133 9.909 5.546 1.00 0.00 C ATOM 650 C GLU A 40 -1.402 10.648 5.130 1.00 0.00 C ATOM 651 O GLU A 40 -1.974 11.408 5.913 1.00 0.00 O ATOM 652 CB GLU A 40 -0.333 9.256 6.913 1.00 0.00 C ATOM 653 CG GLU A 40 -1.120 7.959 6.856 1.00 0.00 C ATOM 654 CD GLU A 40 -1.170 7.248 8.196 1.00 0.00 C ATOM 655 OE1 GLU A 40 -1.948 7.685 9.071 1.00 0.00 O ATOM 656 OE2 GLU A 40 -0.430 6.257 8.373 1.00 0.00 O ATOM 0 H GLU A 40 0.947 11.551 6.282 1.00 0.00 H new ATOM 0 HA GLU A 40 0.071 9.134 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.642 9.061 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.850 9.956 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.136 8.169 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.671 7.298 6.115 1.00 0.00 H new ATOM 663 N GLY A 41 -1.838 10.415 3.895 1.00 0.00 N ATOM 664 CA GLY A 41 -3.035 11.053 3.398 1.00 0.00 C ATOM 665 C GLY A 41 -4.084 10.051 2.964 1.00 0.00 C ATOM 666 O GLY A 41 -4.340 9.074 3.668 1.00 0.00 O ATOM 0 H GLY A 41 -1.378 9.792 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.450 11.696 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.778 11.695 2.555 1.00 0.00 H new ATOM 670 N VAL A 42 -4.683 10.274 1.797 1.00 0.00 N ATOM 671 CA VAL A 42 -5.688 9.356 1.280 1.00 0.00 C ATOM 672 C VAL A 42 -5.090 7.988 1.063 1.00 0.00 C ATOM 673 O VAL A 42 -3.874 7.847 0.959 1.00 0.00 O ATOM 674 CB VAL A 42 -6.298 9.864 -0.041 1.00 0.00 C ATOM 675 CG1 VAL A 42 -7.067 11.156 0.184 1.00 0.00 C ATOM 676 CG2 VAL A 42 -5.213 10.056 -1.089 1.00 0.00 C ATOM 0 H VAL A 42 -4.491 11.076 1.197 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.483 9.295 2.023 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.998 9.114 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.489 11.497 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.871 10.981 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.393 11.917 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.661 10.415 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.486 10.785 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.712 9.105 -1.273 1.00 0.00 H new ATOM 686 N TRP A 43 -5.941 6.972 1.020 1.00 0.00 N ATOM 687 CA TRP A 43 -5.473 5.607 0.847 1.00 0.00 C ATOM 688 C TRP A 43 -6.311 4.851 -0.180 1.00 0.00 C ATOM 689 O TRP A 43 -7.497 5.129 -0.364 1.00 0.00 O ATOM 690 CB TRP A 43 -5.517 4.885 2.191 1.00 0.00 C ATOM 691 CG TRP A 43 -4.317 5.148 3.045 1.00 0.00 C ATOM 692 CD1 TRP A 43 -4.158 6.154 3.957 1.00 0.00 C ATOM 693 CD2 TRP A 43 -3.105 4.394 3.067 1.00 0.00 C ATOM 694 NE1 TRP A 43 -2.919 6.067 4.541 1.00 0.00 N ATOM 695 CE2 TRP A 43 -2.252 4.994 4.013 1.00 0.00 C ATOM 696 CE3 TRP A 43 -2.661 3.267 2.376 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -0.979 4.502 4.283 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -1.395 2.776 2.645 1.00 0.00 C ATOM 699 CH2 TRP A 43 -0.567 3.394 3.590 1.00 0.00 C ATOM 0 H TRP A 43 -6.953 7.068 1.102 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.449 5.640 0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.413 5.192 2.731 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.602 3.812 2.017 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.898 6.907 4.184 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.554 6.699 5.253 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.293 2.786 1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.339 4.976 5.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.040 1.903 2.118 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.417 2.989 3.777 1.00 0.00 H new ATOM 710 N THR A 44 -5.680 3.887 -0.842 1.00 0.00 N ATOM 711 CA THR A 44 -6.345 3.071 -1.850 1.00 0.00 C ATOM 712 C THR A 44 -5.622 1.739 -2.010 1.00 0.00 C ATOM 713 O THR A 44 -4.398 1.675 -1.900 1.00 0.00 O ATOM 714 CB THR A 44 -6.393 3.808 -3.189 1.00 0.00 C ATOM 715 OG1 THR A 44 -6.208 5.202 -3.004 1.00 0.00 O ATOM 716 CG2 THR A 44 -7.699 3.617 -3.932 1.00 0.00 C ATOM 0 H THR A 44 -4.699 3.651 -0.696 1.00 0.00 H new ATOM 0 HA THR A 44 -7.367 2.880 -1.522 1.00 0.00 H new ATOM 0 HB THR A 44 -5.587 3.377 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.241 5.654 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.666 4.166 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.850 2.557 -4.136 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.522 3.990 -3.323 1.00 0.00 H new ATOM 724 N TYR A 45 -6.378 0.677 -2.260 1.00 0.00 N ATOM 725 CA TYR A 45 -5.794 -0.648 -2.424 1.00 0.00 C ATOM 726 C TYR A 45 -6.200 -1.278 -3.751 1.00 0.00 C ATOM 727 O TYR A 45 -7.290 -1.021 -4.264 1.00 0.00 O ATOM 728 CB TYR A 45 -6.212 -1.557 -1.266 1.00 0.00 C ATOM 729 CG TYR A 45 -5.528 -2.905 -1.276 1.00 0.00 C ATOM 730 CD1 TYR A 45 -4.176 -3.020 -0.975 1.00 0.00 C ATOM 731 CD2 TYR A 45 -6.231 -4.058 -1.590 1.00 0.00 C ATOM 732 CE1 TYR A 45 -3.546 -4.251 -0.983 1.00 0.00 C ATOM 733 CE2 TYR A 45 -5.609 -5.293 -1.599 1.00 0.00 C ATOM 734 CZ TYR A 45 -4.269 -5.382 -1.297 1.00 0.00 C ATOM 735 OH TYR A 45 -3.645 -6.610 -1.306 1.00 0.00 O ATOM 0 H TYR A 45 -7.393 0.707 -2.353 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.710 -0.535 -2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.993 -1.055 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.291 -1.706 -1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.609 -2.134 -0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.281 -3.991 -1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.495 -4.326 -0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.171 -6.183 -1.842 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.293 -7.305 -1.546 1.00 0.00 H new ATOM 745 N LYS A 46 -5.318 -2.105 -4.296 1.00 0.00 N ATOM 746 CA LYS A 46 -5.578 -2.783 -5.562 1.00 0.00 C ATOM 747 C LYS A 46 -5.575 -4.296 -5.372 1.00 0.00 C ATOM 748 O LYS A 46 -4.629 -4.859 -4.818 1.00 0.00 O ATOM 749 CB LYS A 46 -4.528 -2.391 -6.605 1.00 0.00 C ATOM 750 CG LYS A 46 -4.206 -0.903 -6.624 1.00 0.00 C ATOM 751 CD LYS A 46 -4.788 -0.216 -7.841 1.00 0.00 C ATOM 752 CE LYS A 46 -3.808 0.779 -8.442 1.00 0.00 C ATOM 753 NZ LYS A 46 -3.811 0.726 -9.936 1.00 0.00 N ATOM 0 H LYS A 46 -4.413 -2.324 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.562 -2.474 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.612 -2.949 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.881 -2.689 -7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.598 -0.435 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.125 -0.765 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.054 -0.963 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.708 0.300 -7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.065 1.786 -8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.804 0.569 -8.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.131 1.418 -10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.542 -0.228 -10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.763 0.951 -10.289 1.00 0.00 H new ATOM 767 N ASP A 47 -6.640 -4.945 -5.832 1.00 0.00 N ATOM 768 CA ASP A 47 -6.763 -6.393 -5.710 1.00 0.00 C ATOM 769 C ASP A 47 -6.287 -7.093 -6.974 1.00 0.00 C ATOM 770 O ASP A 47 -6.734 -8.199 -7.293 1.00 0.00 O ATOM 771 CB ASP A 47 -8.212 -6.782 -5.413 1.00 0.00 C ATOM 772 CG ASP A 47 -8.811 -5.956 -4.290 1.00 0.00 C ATOM 773 OD1 ASP A 47 -8.144 -5.805 -3.244 1.00 0.00 O ATOM 774 OD2 ASP A 47 -9.945 -5.461 -4.457 1.00 0.00 O ATOM 0 H ASP A 47 -7.429 -4.492 -6.292 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.131 -6.713 -4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.812 -6.655 -6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.255 -7.838 -5.147 1.00 0.00 H new ATOM 779 N GLU A 48 -5.382 -6.451 -7.707 1.00 0.00 N ATOM 780 CA GLU A 48 -4.849 -7.017 -8.938 1.00 0.00 C ATOM 781 C GLU A 48 -3.549 -7.770 -8.665 1.00 0.00 C ATOM 782 O GLU A 48 -3.233 -8.748 -9.344 1.00 0.00 O ATOM 783 CB GLU A 48 -4.611 -5.915 -9.975 1.00 0.00 C ATOM 784 CG GLU A 48 -4.991 -6.314 -11.388 1.00 0.00 C ATOM 785 CD GLU A 48 -3.783 -6.634 -12.243 1.00 0.00 C ATOM 786 OE1 GLU A 48 -2.707 -6.052 -12.002 1.00 0.00 O ATOM 787 OE2 GLU A 48 -3.914 -7.470 -13.162 1.00 0.00 O ATOM 0 H GLU A 48 -5.002 -5.535 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.581 -7.720 -9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.182 -5.031 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.558 -5.633 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.648 -7.183 -11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.556 -5.505 -11.851 1.00 0.00 H new ATOM 794 N THR A 49 -2.800 -7.304 -7.667 1.00 0.00 N ATOM 795 CA THR A 49 -1.538 -7.929 -7.308 1.00 0.00 C ATOM 796 C THR A 49 -1.041 -7.398 -5.969 1.00 0.00 C ATOM 797 O THR A 49 0.163 -7.283 -5.745 1.00 0.00 O ATOM 798 CB THR A 49 -0.488 -7.681 -8.391 1.00 0.00 C ATOM 799 OG1 THR A 49 0.718 -8.357 -8.087 1.00 0.00 O ATOM 800 CG2 THR A 49 -0.157 -6.216 -8.574 1.00 0.00 C ATOM 0 H THR A 49 -3.049 -6.496 -7.096 1.00 0.00 H new ATOM 0 HA THR A 49 -1.703 -9.003 -7.220 1.00 0.00 H new ATOM 0 HB THR A 49 -0.929 -8.059 -9.313 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.980 -8.160 -7.163 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.594 -6.108 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.058 -5.672 -8.858 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.232 -5.811 -7.640 1.00 0.00 H new ATOM 808 N LYS A 50 -1.978 -7.074 -5.082 1.00 0.00 N ATOM 809 CA LYS A 50 -1.636 -6.552 -3.765 1.00 0.00 C ATOM 810 C LYS A 50 -0.836 -5.257 -3.882 1.00 0.00 C ATOM 811 O LYS A 50 0.391 -5.263 -3.797 1.00 0.00 O ATOM 812 CB LYS A 50 -0.831 -7.587 -2.976 1.00 0.00 C ATOM 813 CG LYS A 50 -1.687 -8.683 -2.360 1.00 0.00 C ATOM 814 CD LYS A 50 -0.850 -9.883 -1.954 1.00 0.00 C ATOM 815 CE LYS A 50 -0.909 -10.984 -3.001 1.00 0.00 C ATOM 816 NZ LYS A 50 0.346 -11.784 -3.040 1.00 0.00 N ATOM 0 H LYS A 50 -2.980 -7.164 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.565 -6.340 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.093 -8.042 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.280 -7.080 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.209 -8.291 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.449 -8.995 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.185 -9.573 -1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.205 -10.269 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.752 -11.642 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.088 -10.543 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.264 -12.523 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.147 -11.162 -3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.505 -12.227 -2.112 1.00 0.00 H new ATOM 830 N THR A 51 -1.541 -4.147 -4.081 1.00 0.00 N ATOM 831 CA THR A 51 -0.890 -2.849 -4.214 1.00 0.00 C ATOM 832 C THR A 51 -1.607 -1.783 -3.391 1.00 0.00 C ATOM 833 O THR A 51 -2.837 -1.768 -3.306 1.00 0.00 O ATOM 834 CB THR A 51 -0.843 -2.424 -5.683 1.00 0.00 C ATOM 835 OG1 THR A 51 -0.314 -3.463 -6.489 1.00 0.00 O ATOM 836 CG2 THR A 51 -0.008 -1.187 -5.921 1.00 0.00 C ATOM 0 H THR A 51 -2.558 -4.121 -4.153 1.00 0.00 H new ATOM 0 HA THR A 51 0.127 -2.948 -3.835 1.00 0.00 H new ATOM 0 HB THR A 51 -1.875 -2.202 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.293 -3.173 -7.425 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.017 -0.941 -6.983 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.421 -0.354 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.017 -1.373 -5.600 1.00 0.00 H new ATOM 844 N PHE A 52 -0.826 -0.889 -2.789 1.00 0.00 N ATOM 845 CA PHE A 52 -1.376 0.190 -1.976 1.00 0.00 C ATOM 846 C PHE A 52 -1.126 1.544 -2.639 1.00 0.00 C ATOM 847 O PHE A 52 -0.156 1.711 -3.382 1.00 0.00 O ATOM 848 CB PHE A 52 -0.749 0.175 -0.580 1.00 0.00 C ATOM 849 CG PHE A 52 -1.350 -0.848 0.340 1.00 0.00 C ATOM 850 CD1 PHE A 52 -0.907 -2.163 0.321 1.00 0.00 C ATOM 851 CD2 PHE A 52 -2.358 -0.497 1.225 1.00 0.00 C ATOM 852 CE1 PHE A 52 -1.460 -3.105 1.170 1.00 0.00 C ATOM 853 CE2 PHE A 52 -2.912 -1.437 2.073 1.00 0.00 C ATOM 854 CZ PHE A 52 -2.462 -2.740 2.048 1.00 0.00 C ATOM 0 H PHE A 52 0.192 -0.892 -2.850 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.451 0.036 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.320 -0.017 -0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.858 1.163 -0.132 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.123 -2.454 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.714 0.522 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.108 -4.126 1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.698 -1.151 2.756 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.892 -3.474 2.714 1.00 0.00 H new ATOM 864 N THR A 53 -2.000 2.505 -2.368 1.00 0.00 N ATOM 865 CA THR A 53 -1.867 3.840 -2.944 1.00 0.00 C ATOM 866 C THR A 53 -2.285 4.913 -1.943 1.00 0.00 C ATOM 867 O THR A 53 -3.430 4.944 -1.490 1.00 0.00 O ATOM 868 CB THR A 53 -2.713 3.957 -4.212 1.00 0.00 C ATOM 869 OG1 THR A 53 -2.676 2.748 -4.952 1.00 0.00 O ATOM 870 CG2 THR A 53 -2.262 5.071 -5.132 1.00 0.00 C ATOM 0 H THR A 53 -2.807 2.387 -1.755 1.00 0.00 H new ATOM 0 HA THR A 53 -0.818 3.994 -3.197 1.00 0.00 H new ATOM 0 HB THR A 53 -3.723 4.179 -3.866 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.224 2.841 -5.759 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.905 5.099 -6.012 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.324 6.024 -4.607 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.232 4.894 -5.440 1.00 0.00 H new ATOM 878 N VAL A 54 -1.350 5.796 -1.605 1.00 0.00 N ATOM 879 CA VAL A 54 -1.621 6.876 -0.663 1.00 0.00 C ATOM 880 C VAL A 54 -0.987 8.178 -1.138 1.00 0.00 C ATOM 881 O VAL A 54 0.155 8.196 -1.588 1.00 0.00 O ATOM 882 CB VAL A 54 -1.093 6.536 0.748 1.00 0.00 C ATOM 883 CG1 VAL A 54 0.373 6.135 0.681 1.00 0.00 C ATOM 884 CG2 VAL A 54 -1.293 7.703 1.709 1.00 0.00 C ATOM 0 H VAL A 54 -0.398 5.784 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.703 6.998 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.667 5.692 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.732 5.898 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.482 5.260 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.957 6.959 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.911 7.433 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.755 8.576 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.355 7.936 1.783 1.00 0.00 H new ATOM 894 N THR A 55 -1.735 9.273 -1.038 1.00 0.00 N ATOM 895 CA THR A 55 -1.230 10.572 -1.461 1.00 0.00 C ATOM 896 C THR A 55 -1.679 11.672 -0.508 1.00 0.00 C ATOM 897 O THR A 55 -2.548 11.455 0.330 1.00 0.00 O ATOM 898 CB THR A 55 -1.691 10.888 -2.886 1.00 0.00 C ATOM 899 OG1 THR A 55 -1.568 12.273 -3.162 1.00 0.00 O ATOM 900 CG2 THR A 55 -3.124 10.493 -3.148 1.00 0.00 C ATOM 0 H THR A 55 -2.686 9.286 -0.670 1.00 0.00 H new ATOM 0 HA THR A 55 -0.141 10.530 -1.444 1.00 0.00 H new ATOM 0 HB THR A 55 -1.043 10.300 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.620 12.505 -3.254 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.388 10.744 -4.175 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.239 9.420 -2.995 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.780 11.030 -2.463 1.00 0.00 H new ATOM 908 N GLU A 56 -1.073 12.847 -0.644 1.00 0.00 N ATOM 909 CA GLU A 56 -1.411 13.983 0.206 1.00 0.00 C ATOM 910 C GLU A 56 -0.851 15.275 -0.373 1.00 0.00 C ATOM 911 O GLU A 56 -1.168 16.356 0.178 1.00 0.00 O ATOM 912 CB GLU A 56 -0.869 13.765 1.620 1.00 0.00 C ATOM 913 CG GLU A 56 -1.313 14.826 2.610 1.00 0.00 C ATOM 914 CD GLU A 56 -2.818 14.989 2.656 1.00 0.00 C ATOM 915 OE1 GLU A 56 -3.495 14.109 3.226 1.00 0.00 O ATOM 916 OE2 GLU A 56 -3.322 16.000 2.119 1.00 0.00 O ATOM 917 OXT GLU A 56 -0.101 15.205 -1.370 1.00 0.00 O ATOM 0 H GLU A 56 -0.346 13.037 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.497 14.066 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.193 12.788 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.220 13.746 1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.949 14.565 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.856 15.779 2.344 1.00 0.00 H new