USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 465 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 Single : A 1 THR N :NH3+ -123:sc= 0.522 (180deg=-0.463) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.226 USER MOD Single : A 2 THR OG1 : rot 42:sc= 0.824 USER MOD Single : A 3 TYR OH : rot 180:sc=-0.00258 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0283 F(o=-0.68,f=-0.028) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00448 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 35 ASN : amide:sc= -1.53 K(o=-1.5,f=-3.2!) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= 0.576 (180deg=0.0214) USER MOD Single : A 38 THR OG1 : rot -18:sc= 0.938 USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0816 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -150:sc= -1.61 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.592 -12.835 4.204 1.00 0.00 N ATOM 2 CA THR A 1 5.030 -12.939 3.840 1.00 0.00 C ATOM 3 C THR A 1 5.551 -11.625 3.269 1.00 0.00 C ATOM 4 O THR A 1 6.283 -10.893 3.936 1.00 0.00 O ATOM 5 CB THR A 1 5.191 -14.062 2.814 1.00 0.00 C ATOM 6 OG1 THR A 1 4.310 -13.876 1.722 1.00 0.00 O ATOM 7 CG2 THR A 1 4.928 -15.438 3.386 1.00 0.00 C ATOM 0 H1 THR A 1 3.470 -13.073 5.209 1.00 0.00 H new ATOM 0 H2 THR A 1 3.261 -11.864 4.036 1.00 0.00 H new ATOM 0 H3 THR A 1 3.038 -13.495 3.622 1.00 0.00 H new ATOM 0 HA THR A 1 5.611 -13.160 4.735 1.00 0.00 H new ATOM 0 HB THR A 1 6.232 -14.011 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.430 -14.604 1.077 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.059 -16.188 2.606 1.00 0.00 H new ATOM 0 HG22 THR A 1 5.627 -15.634 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.907 -15.485 3.766 1.00 0.00 H new ATOM 17 N THR A 2 5.171 -11.332 2.029 1.00 0.00 N ATOM 18 CA THR A 2 5.600 -10.105 1.368 1.00 0.00 C ATOM 19 C THR A 2 4.413 -9.382 0.740 1.00 0.00 C ATOM 20 O THR A 2 3.883 -9.813 -0.284 1.00 0.00 O ATOM 21 CB THR A 2 6.647 -10.417 0.295 1.00 0.00 C ATOM 22 OG1 THR A 2 6.117 -11.297 -0.678 1.00 0.00 O ATOM 23 CG2 THR A 2 7.904 -11.049 0.851 1.00 0.00 C ATOM 0 H THR A 2 4.567 -11.927 1.462 1.00 0.00 H new ATOM 0 HA THR A 2 6.044 -9.453 2.120 1.00 0.00 H new ATOM 0 HB THR A 2 6.909 -9.454 -0.143 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.200 -11.028 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.603 -11.244 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.364 -10.372 1.571 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.652 -11.987 1.345 1.00 0.00 H new ATOM 31 N TYR A 3 4.001 -8.281 1.360 1.00 0.00 N ATOM 32 CA TYR A 3 2.876 -7.500 0.860 1.00 0.00 C ATOM 33 C TYR A 3 3.362 -6.255 0.125 1.00 0.00 C ATOM 34 O TYR A 3 4.412 -5.700 0.450 1.00 0.00 O ATOM 35 CB TYR A 3 1.953 -7.101 2.013 1.00 0.00 C ATOM 36 CG TYR A 3 1.424 -8.282 2.795 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.253 -9.002 3.647 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.097 -8.677 2.683 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.775 -10.082 4.364 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.390 -9.756 3.397 1.00 0.00 C ATOM 41 CZ TYR A 3 0.453 -10.455 4.235 1.00 0.00 C ATOM 42 OH TYR A 3 -0.028 -11.530 4.947 1.00 0.00 O ATOM 0 H TYR A 3 4.429 -7.910 2.208 1.00 0.00 H new ATOM 0 HA TYR A 3 2.319 -8.119 0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.494 -6.440 2.690 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.113 -6.532 1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.288 -8.712 3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.566 -8.132 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.432 -10.631 5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.425 -10.050 3.299 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.978 -11.659 4.743 1.00 0.00 H new ATOM 52 N LYS A 4 2.594 -5.822 -0.871 1.00 0.00 N ATOM 53 CA LYS A 4 2.952 -4.642 -1.654 1.00 0.00 C ATOM 54 C LYS A 4 1.790 -3.664 -1.737 1.00 0.00 C ATOM 55 O LYS A 4 0.623 -4.055 -1.674 1.00 0.00 O ATOM 56 CB LYS A 4 3.393 -5.052 -3.061 1.00 0.00 C ATOM 57 CG LYS A 4 4.887 -5.309 -3.179 1.00 0.00 C ATOM 58 CD LYS A 4 5.183 -6.434 -4.158 1.00 0.00 C ATOM 59 CE LYS A 4 6.677 -6.669 -4.302 1.00 0.00 C ATOM 60 NZ LYS A 4 7.179 -7.671 -3.321 1.00 0.00 N ATOM 0 H LYS A 4 1.722 -6.269 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 4 3.781 -4.144 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.853 -5.953 -3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.111 -4.268 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.389 -4.399 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.292 -5.562 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.701 -7.350 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.756 -6.192 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.895 -7.011 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.208 -5.727 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.202 -7.803 -3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.994 -7.334 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.691 -8.577 -3.470 1.00 0.00 H new ATOM 74 N LEU A 5 2.122 -2.386 -1.873 1.00 0.00 N ATOM 75 CA LEU A 5 1.118 -1.337 -1.958 1.00 0.00 C ATOM 76 C LEU A 5 1.397 -0.411 -3.141 1.00 0.00 C ATOM 77 O LEU A 5 2.440 0.238 -3.200 1.00 0.00 O ATOM 78 CB LEU A 5 1.088 -0.545 -0.647 1.00 0.00 C ATOM 79 CG LEU A 5 0.528 0.879 -0.746 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.793 0.884 -1.500 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.350 1.481 0.639 1.00 0.00 C ATOM 0 H LEU A 5 3.084 -2.052 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 5 0.143 -1.796 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.494 -1.100 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.103 -0.491 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 5 1.243 1.489 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.174 1.903 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.639 0.495 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.514 0.257 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.048 2.492 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.343 0.868 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.314 1.515 1.147 1.00 0.00 H new ATOM 93 N ILE A 6 0.456 -0.357 -4.079 1.00 0.00 N ATOM 94 CA ILE A 6 0.600 0.489 -5.259 1.00 0.00 C ATOM 95 C ILE A 6 -0.193 1.784 -5.101 1.00 0.00 C ATOM 96 O ILE A 6 -1.407 1.760 -4.907 1.00 0.00 O ATOM 97 CB ILE A 6 0.140 -0.240 -6.538 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.970 -1.507 -6.756 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.251 0.678 -7.749 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.673 -2.603 -5.755 1.00 0.00 C ATOM 0 H ILE A 6 -0.414 -0.889 -4.045 1.00 0.00 H new ATOM 0 HA ILE A 6 1.660 0.725 -5.355 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.905 -0.523 -6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.785 -1.884 -7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.028 -1.252 -6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.078 0.145 -8.641 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.377 1.556 -7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.288 0.990 -7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.297 -3.471 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.885 -2.243 -4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.377 -2.885 -5.826 1.00 0.00 H new ATOM 112 N LEU A 7 0.508 2.910 -5.183 1.00 0.00 N ATOM 113 CA LEU A 7 -0.123 4.217 -5.047 1.00 0.00 C ATOM 114 C LEU A 7 -0.090 4.977 -6.370 1.00 0.00 C ATOM 115 O LEU A 7 0.955 5.079 -7.011 1.00 0.00 O ATOM 116 CB LEU A 7 0.580 5.033 -3.961 1.00 0.00 C ATOM 117 CG LEU A 7 0.921 4.256 -2.688 1.00 0.00 C ATOM 118 CD1 LEU A 7 1.833 5.078 -1.790 1.00 0.00 C ATOM 119 CD2 LEU A 7 -0.347 3.865 -1.947 1.00 0.00 C ATOM 0 H LEU A 7 1.515 2.943 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.164 4.063 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.500 5.444 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.055 5.878 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 7 1.448 3.345 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.065 4.510 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.756 5.308 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.332 6.006 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.085 3.313 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.901 4.763 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.965 3.238 -2.589 1.00 0.00 H new ATOM 131 N ASN A 8 -1.239 5.512 -6.770 1.00 0.00 N ATOM 132 CA ASN A 8 -1.336 6.267 -8.016 1.00 0.00 C ATOM 133 C ASN A 8 -1.829 7.685 -7.756 1.00 0.00 C ATOM 134 O ASN A 8 -3.021 7.917 -7.567 1.00 0.00 O ATOM 135 CB ASN A 8 -2.274 5.559 -8.996 1.00 0.00 C ATOM 136 CG ASN A 8 -2.139 6.083 -10.413 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.906 6.236 -10.878 1.00 0.00 O flip ATOM 138 ND2 ASN A 8 -3.137 6.345 -11.084 1.00 0.00 N flip ATOM 0 H ASN A 8 -2.114 5.438 -6.252 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.340 6.323 -8.455 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.064 4.489 -8.986 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.304 5.684 -8.663 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.067 6.213 -10.687 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.034 6.694 -12.037 1.00 0.00 H new ATOM 145 N LEU A 9 -0.899 8.627 -7.748 1.00 0.00 N ATOM 146 CA LEU A 9 -1.228 10.030 -7.516 1.00 0.00 C ATOM 147 C LEU A 9 -0.946 10.865 -8.763 1.00 0.00 C ATOM 148 O LEU A 9 -0.486 10.342 -9.777 1.00 0.00 O ATOM 149 CB LEU A 9 -0.423 10.569 -6.332 1.00 0.00 C ATOM 150 CG LEU A 9 -0.194 9.569 -5.181 1.00 0.00 C ATOM 151 CD1 LEU A 9 -1.441 8.740 -4.935 1.00 0.00 C ATOM 152 CD2 LEU A 9 0.997 8.673 -5.485 1.00 0.00 C ATOM 0 H LEU A 9 0.094 8.447 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.291 10.100 -7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.547 10.906 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.936 11.445 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 9 0.023 10.132 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.258 8.041 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.269 9.398 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.693 8.185 -5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.145 7.973 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.810 8.118 -6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.891 9.285 -5.606 1.00 0.00 H new ATOM 164 N LYS A 10 -1.222 12.159 -8.678 1.00 0.00 N ATOM 165 CA LYS A 10 -0.991 13.068 -9.804 1.00 0.00 C ATOM 166 C LYS A 10 0.467 13.520 -9.847 1.00 0.00 C ATOM 167 O LYS A 10 0.751 14.713 -9.921 1.00 0.00 O ATOM 168 CB LYS A 10 -1.919 14.281 -9.707 1.00 0.00 C ATOM 169 CG LYS A 10 -1.653 15.148 -8.487 1.00 0.00 C ATOM 170 CD LYS A 10 -2.616 14.845 -7.358 1.00 0.00 C ATOM 171 CE LYS A 10 -2.882 16.074 -6.502 1.00 0.00 C ATOM 172 NZ LYS A 10 -3.155 15.704 -5.080 1.00 0.00 N ATOM 0 H LYS A 10 -1.605 12.607 -7.846 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.210 12.530 -10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.807 14.887 -10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.953 13.937 -9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.631 14.989 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.737 16.199 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.556 14.478 -7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.208 14.049 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.022 16.742 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.733 16.622 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.332 16.566 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.990 15.086 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.333 15.202 -4.688 1.00 0.00 H new ATOM 186 N GLN A 11 1.386 12.562 -9.798 1.00 0.00 N ATOM 187 CA GLN A 11 2.818 12.856 -9.830 1.00 0.00 C ATOM 188 C GLN A 11 3.630 11.585 -9.584 1.00 0.00 C ATOM 189 O GLN A 11 4.209 11.401 -8.512 1.00 0.00 O ATOM 190 CB GLN A 11 3.169 13.912 -8.778 1.00 0.00 C ATOM 191 CG GLN A 11 3.372 15.309 -9.369 1.00 0.00 C ATOM 192 CD GLN A 11 4.763 15.852 -9.110 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.955 16.715 -8.253 1.00 0.00 O ATOM 194 NE2 GLN A 11 5.742 15.350 -9.854 1.00 0.00 N ATOM 0 H GLN A 11 1.165 11.568 -9.736 1.00 0.00 H new ATOM 0 HA GLN A 11 3.066 13.246 -10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.374 13.952 -8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.078 13.609 -8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.193 15.275 -10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.635 15.990 -8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.537 14.636 -10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.699 15.679 -9.727 1.00 0.00 H new ATOM 203 N ALA A 12 3.666 10.709 -10.583 1.00 0.00 N ATOM 204 CA ALA A 12 4.403 9.453 -10.476 1.00 0.00 C ATOM 205 C ALA A 12 3.805 8.555 -9.395 1.00 0.00 C ATOM 206 O ALA A 12 3.327 9.042 -8.370 1.00 0.00 O ATOM 207 CB ALA A 12 5.874 9.730 -10.187 1.00 0.00 C ATOM 0 H ALA A 12 3.193 10.845 -11.477 1.00 0.00 H new ATOM 0 HA ALA A 12 4.324 8.929 -11.428 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.414 8.786 -10.109 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.298 10.325 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.964 10.277 -9.249 1.00 0.00 H new ATOM 213 N LYS A 13 3.834 7.255 -9.636 1.00 0.00 N ATOM 214 CA LYS A 13 3.292 6.293 -8.686 1.00 0.00 C ATOM 215 C LYS A 13 4.372 5.807 -7.724 1.00 0.00 C ATOM 216 O LYS A 13 5.535 5.659 -8.101 1.00 0.00 O ATOM 217 CB LYS A 13 2.680 5.103 -9.425 1.00 0.00 C ATOM 218 CG LYS A 13 3.676 4.339 -10.285 1.00 0.00 C ATOM 219 CD LYS A 13 3.080 3.960 -11.634 1.00 0.00 C ATOM 220 CE LYS A 13 3.179 2.464 -11.891 1.00 0.00 C ATOM 221 NZ LYS A 13 1.861 1.786 -11.743 1.00 0.00 N ATOM 0 H LYS A 13 4.227 6.840 -10.481 1.00 0.00 H new ATOM 0 HA LYS A 13 2.514 6.792 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.243 4.420 -8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.866 5.459 -10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.567 4.948 -10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.993 3.437 -9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.035 4.267 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.598 4.501 -12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.564 2.293 -12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.894 2.023 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.972 0.768 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.505 1.927 -10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.185 2.189 -12.423 1.00 0.00 H new ATOM 235 N GLU A 14 3.979 5.560 -6.478 1.00 0.00 N ATOM 236 CA GLU A 14 4.913 5.089 -5.461 1.00 0.00 C ATOM 237 C GLU A 14 4.568 3.668 -5.027 1.00 0.00 C ATOM 238 O GLU A 14 3.411 3.358 -4.743 1.00 0.00 O ATOM 239 CB GLU A 14 4.895 6.027 -4.250 1.00 0.00 C ATOM 240 CG GLU A 14 6.140 6.893 -4.136 1.00 0.00 C ATOM 241 CD GLU A 14 5.875 8.340 -4.484 1.00 0.00 C ATOM 242 OE1 GLU A 14 5.174 9.021 -3.705 1.00 0.00 O ATOM 243 OE2 GLU A 14 6.370 8.793 -5.535 1.00 0.00 O ATOM 0 H GLU A 14 3.021 5.678 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 14 5.914 5.085 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.018 6.671 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.790 5.433 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.528 6.833 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.913 6.500 -4.796 1.00 0.00 H new ATOM 250 N GLU A 15 5.579 2.805 -4.981 1.00 0.00 N ATOM 251 CA GLU A 15 5.378 1.416 -4.585 1.00 0.00 C ATOM 252 C GLU A 15 5.833 1.178 -3.151 1.00 0.00 C ATOM 253 O GLU A 15 6.963 1.502 -2.785 1.00 0.00 O ATOM 254 CB GLU A 15 6.135 0.476 -5.525 1.00 0.00 C ATOM 255 CG GLU A 15 5.426 0.239 -6.848 1.00 0.00 C ATOM 256 CD GLU A 15 6.103 -0.824 -7.690 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.340 -0.756 -7.849 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.396 -1.723 -8.190 1.00 0.00 O ATOM 0 H GLU A 15 6.543 3.043 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 15 4.310 1.208 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.124 0.891 -5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.284 -0.481 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.395 -0.057 -6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.390 1.173 -7.409 1.00 0.00 H new ATOM 265 N ALA A 16 4.951 0.595 -2.348 1.00 0.00 N ATOM 266 CA ALA A 16 5.261 0.294 -0.960 1.00 0.00 C ATOM 267 C ALA A 16 5.404 -1.211 -0.769 1.00 0.00 C ATOM 268 O ALA A 16 4.596 -1.987 -1.278 1.00 0.00 O ATOM 269 CB ALA A 16 4.187 0.851 -0.037 1.00 0.00 C ATOM 0 H ALA A 16 4.012 0.321 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 16 6.208 0.770 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.438 0.615 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.128 1.933 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.225 0.405 -0.288 1.00 0.00 H new ATOM 275 N ILE A 17 6.439 -1.621 -0.048 1.00 0.00 N ATOM 276 CA ILE A 17 6.677 -3.038 0.187 1.00 0.00 C ATOM 277 C ILE A 17 7.116 -3.301 1.621 1.00 0.00 C ATOM 278 O ILE A 17 7.606 -2.405 2.310 1.00 0.00 O ATOM 279 CB ILE A 17 7.730 -3.599 -0.793 1.00 0.00 C ATOM 280 CG1 ILE A 17 9.120 -3.033 -0.485 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.328 -3.283 -2.230 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.230 -1.537 -0.691 1.00 0.00 C ATOM 0 H ILE A 17 7.122 -0.997 0.381 1.00 0.00 H new ATOM 0 HA ILE A 17 5.730 -3.551 0.016 1.00 0.00 H new ATOM 0 HB ILE A 17 7.774 -4.681 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.377 -3.268 0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.854 -3.532 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.077 -3.683 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.361 -3.737 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.259 -2.203 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.242 -1.210 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.005 -1.295 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.521 -1.027 -0.039 1.00 0.00 H new ATOM 294 N LYS A 18 6.922 -4.536 2.067 1.00 0.00 N ATOM 295 CA LYS A 18 7.280 -4.923 3.423 1.00 0.00 C ATOM 296 C LYS A 18 7.213 -6.441 3.583 1.00 0.00 C ATOM 297 O LYS A 18 6.375 -7.103 2.971 1.00 0.00 O ATOM 298 CB LYS A 18 6.337 -4.231 4.413 1.00 0.00 C ATOM 299 CG LYS A 18 6.347 -4.828 5.815 1.00 0.00 C ATOM 300 CD LYS A 18 7.640 -4.511 6.548 1.00 0.00 C ATOM 301 CE LYS A 18 7.785 -5.346 7.811 1.00 0.00 C ATOM 302 NZ LYS A 18 8.201 -4.522 8.979 1.00 0.00 N ATOM 0 H LYS A 18 6.518 -5.287 1.507 1.00 0.00 H new ATOM 0 HA LYS A 18 8.304 -4.611 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.608 -3.177 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.321 -4.275 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.501 -4.440 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.219 -5.909 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.488 -4.697 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.663 -3.452 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.837 -5.836 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.520 -6.134 7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.288 -5.129 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.118 -4.074 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.488 -3.786 9.156 1.00 0.00 H new ATOM 316 N GLU A 19 8.100 -6.985 4.412 1.00 0.00 N ATOM 317 CA GLU A 19 8.141 -8.423 4.651 1.00 0.00 C ATOM 318 C GLU A 19 7.762 -8.743 6.095 1.00 0.00 C ATOM 319 O GLU A 19 8.512 -8.453 7.023 1.00 0.00 O ATOM 320 CB GLU A 19 9.529 -8.974 4.343 1.00 0.00 C ATOM 321 CG GLU A 19 9.520 -10.399 3.812 1.00 0.00 C ATOM 322 CD GLU A 19 10.161 -11.384 4.765 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.294 -11.111 5.219 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.542 -12.426 5.058 1.00 0.00 O ATOM 0 H GLU A 19 8.799 -6.451 4.929 1.00 0.00 H new ATOM 0 HA GLU A 19 7.417 -8.897 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.012 -8.327 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.133 -8.938 5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.491 -10.704 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.045 -10.430 2.857 1.00 0.00 H new ATOM 331 N ALA A 20 6.589 -9.340 6.275 1.00 0.00 N ATOM 332 CA ALA A 20 6.110 -9.699 7.605 1.00 0.00 C ATOM 333 C ALA A 20 5.580 -11.128 7.630 1.00 0.00 C ATOM 334 O ALA A 20 5.390 -11.750 6.586 1.00 0.00 O ATOM 335 CB ALA A 20 5.033 -8.725 8.058 1.00 0.00 C ATOM 0 H ALA A 20 5.952 -9.586 5.517 1.00 0.00 H new ATOM 0 HA ALA A 20 6.951 -9.640 8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.684 -9.005 9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.444 -7.716 8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.197 -8.755 7.359 1.00 0.00 H new ATOM 341 N VAL A 21 5.342 -11.644 8.833 1.00 0.00 N ATOM 342 CA VAL A 21 4.833 -13.002 8.996 1.00 0.00 C ATOM 343 C VAL A 21 3.306 -13.026 9.089 1.00 0.00 C ATOM 344 O VAL A 21 2.721 -13.983 9.596 1.00 0.00 O ATOM 345 CB VAL A 21 5.434 -13.679 10.245 1.00 0.00 C ATOM 346 CG1 VAL A 21 5.006 -12.944 11.503 1.00 0.00 C ATOM 347 CG2 VAL A 21 5.032 -15.145 10.306 1.00 0.00 C ATOM 0 H VAL A 21 5.493 -11.143 9.708 1.00 0.00 H new ATOM 0 HA VAL A 21 5.136 -13.558 8.109 1.00 0.00 H new ATOM 0 HB VAL A 21 6.521 -13.632 10.177 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.438 -13.434 12.375 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.353 -11.912 11.457 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.919 -12.958 11.580 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.466 -15.605 11.194 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.946 -15.223 10.351 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.396 -15.659 9.417 1.00 0.00 H new ATOM 357 N ASP A 22 2.661 -11.971 8.596 1.00 0.00 N ATOM 358 CA ASP A 22 1.205 -11.883 8.627 1.00 0.00 C ATOM 359 C ASP A 22 0.718 -10.683 7.819 1.00 0.00 C ATOM 360 O ASP A 22 1.485 -10.077 7.072 1.00 0.00 O ATOM 361 CB ASP A 22 0.709 -11.780 10.070 1.00 0.00 C ATOM 362 CG ASP A 22 -0.558 -12.582 10.303 1.00 0.00 C ATOM 363 OD1 ASP A 22 -0.558 -13.794 10.003 1.00 0.00 O ATOM 364 OD2 ASP A 22 -1.551 -11.995 10.786 1.00 0.00 O ATOM 0 H ASP A 22 3.124 -11.167 8.171 1.00 0.00 H new ATOM 0 HA ASP A 22 0.800 -12.790 8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.488 -12.132 10.746 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.524 -10.734 10.314 1.00 0.00 H new ATOM 369 N ALA A 23 -0.560 -10.343 7.972 1.00 0.00 N ATOM 370 CA ALA A 23 -1.136 -9.215 7.252 1.00 0.00 C ATOM 371 C ALA A 23 -1.303 -8.005 8.163 1.00 0.00 C ATOM 372 O ALA A 23 -1.119 -6.865 7.736 1.00 0.00 O ATOM 373 CB ALA A 23 -2.473 -9.602 6.642 1.00 0.00 C ATOM 0 H ALA A 23 -1.212 -10.831 8.586 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.448 -8.943 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.890 -8.748 6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.330 -10.430 5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.159 -9.906 7.432 1.00 0.00 H new ATOM 379 N GLY A 24 -1.651 -8.258 9.422 1.00 0.00 N ATOM 380 CA GLY A 24 -1.832 -7.175 10.373 1.00 0.00 C ATOM 381 C GLY A 24 -0.674 -6.198 10.357 1.00 0.00 C ATOM 382 O GLY A 24 -0.849 -5.006 10.612 1.00 0.00 O ATOM 0 H GLY A 24 -1.811 -9.192 9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.756 -6.644 10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.942 -7.589 11.375 1.00 0.00 H new ATOM 386 N THR A 25 0.513 -6.706 10.041 1.00 0.00 N ATOM 387 CA THR A 25 1.708 -5.879 9.978 1.00 0.00 C ATOM 388 C THR A 25 1.793 -5.158 8.637 1.00 0.00 C ATOM 389 O THR A 25 2.365 -4.073 8.542 1.00 0.00 O ATOM 390 CB THR A 25 2.960 -6.733 10.192 1.00 0.00 C ATOM 391 OG1 THR A 25 2.670 -7.847 11.018 1.00 0.00 O ATOM 392 CG2 THR A 25 4.101 -5.973 10.831 1.00 0.00 C ATOM 0 H THR A 25 0.671 -7.690 9.824 1.00 0.00 H new ATOM 0 HA THR A 25 1.648 -5.134 10.771 1.00 0.00 H new ATOM 0 HB THR A 25 3.269 -7.049 9.195 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.482 -8.382 11.142 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.957 -6.637 10.954 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.381 -5.134 10.194 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.788 -5.599 11.806 1.00 0.00 H new ATOM 400 N ALA A 26 1.210 -5.764 7.605 1.00 0.00 N ATOM 401 CA ALA A 26 1.216 -5.170 6.274 1.00 0.00 C ATOM 402 C ALA A 26 0.199 -4.039 6.188 1.00 0.00 C ATOM 403 O ALA A 26 0.469 -2.990 5.603 1.00 0.00 O ATOM 404 CB ALA A 26 0.927 -6.230 5.222 1.00 0.00 C ATOM 0 H ALA A 26 0.730 -6.662 7.666 1.00 0.00 H new ATOM 0 HA ALA A 26 2.206 -4.754 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.935 -5.772 4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.691 -7.006 5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.052 -6.672 5.410 1.00 0.00 H new ATOM 410 N GLU A 27 -0.970 -4.260 6.781 1.00 0.00 N ATOM 411 CA GLU A 27 -2.028 -3.257 6.780 1.00 0.00 C ATOM 412 C GLU A 27 -1.629 -2.059 7.635 1.00 0.00 C ATOM 413 O GLU A 27 -1.550 -0.933 7.143 1.00 0.00 O ATOM 414 CB GLU A 27 -3.334 -3.862 7.302 1.00 0.00 C ATOM 415 CG GLU A 27 -4.509 -2.899 7.257 1.00 0.00 C ATOM 416 CD GLU A 27 -5.837 -3.610 7.080 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.939 -4.787 7.485 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.773 -2.990 6.534 1.00 0.00 O ATOM 0 H GLU A 27 -1.208 -5.124 7.268 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.181 -2.919 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.577 -4.746 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.186 -4.194 8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.532 -2.316 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.366 -2.194 6.438 1.00 0.00 H new ATOM 425 N LYS A 28 -1.379 -2.309 8.917 1.00 0.00 N ATOM 426 CA LYS A 28 -0.986 -1.251 9.843 1.00 0.00 C ATOM 427 C LYS A 28 0.234 -0.491 9.326 1.00 0.00 C ATOM 428 O LYS A 28 0.343 0.722 9.510 1.00 0.00 O ATOM 429 CB LYS A 28 -0.688 -1.838 11.225 1.00 0.00 C ATOM 430 CG LYS A 28 -1.870 -1.778 12.179 1.00 0.00 C ATOM 431 CD LYS A 28 -1.415 -1.781 13.630 1.00 0.00 C ATOM 432 CE LYS A 28 -2.585 -1.602 14.582 1.00 0.00 C ATOM 433 NZ LYS A 28 -2.249 -2.040 15.965 1.00 0.00 N ATOM 0 H LYS A 28 -1.442 -3.236 9.339 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.817 -0.550 9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.377 -2.876 11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.152 -1.300 11.666 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.453 -0.879 11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.527 -2.630 12.001 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.906 -2.719 13.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.691 -0.981 13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.884 -0.554 14.596 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.439 -2.173 14.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.074 -1.901 16.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.988 -3.047 15.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.450 -1.478 16.323 1.00 0.00 H new ATOM 447 N TYR A 29 1.150 -1.207 8.680 1.00 0.00 N ATOM 448 CA TYR A 29 2.359 -0.589 8.139 1.00 0.00 C ATOM 449 C TYR A 29 2.029 0.252 6.910 1.00 0.00 C ATOM 450 O TYR A 29 2.434 1.411 6.811 1.00 0.00 O ATOM 451 CB TYR A 29 3.399 -1.659 7.784 1.00 0.00 C ATOM 452 CG TYR A 29 4.614 -1.116 7.066 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.565 -0.807 5.713 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.810 -0.913 7.743 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.674 -0.311 5.054 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.924 -0.418 7.091 1.00 0.00 C ATOM 457 CZ TYR A 29 6.850 -0.118 5.747 1.00 0.00 C ATOM 458 OH TYR A 29 7.958 0.375 5.094 1.00 0.00 O ATOM 0 H TYR A 29 1.080 -2.212 8.518 1.00 0.00 H new ATOM 0 HA TYR A 29 2.778 0.064 8.904 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.721 -2.156 8.699 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.928 -2.417 7.158 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.645 -0.957 5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.870 -1.146 8.796 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.620 -0.076 4.001 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.847 -0.267 7.631 1.00 0.00 H new ATOM 0 HH TYR A 29 8.703 0.452 5.726 1.00 0.00 H new ATOM 468 N PHE A 30 1.283 -0.334 5.976 1.00 0.00 N ATOM 469 CA PHE A 30 0.897 0.372 4.762 1.00 0.00 C ATOM 470 C PHE A 30 0.056 1.594 5.115 1.00 0.00 C ATOM 471 O PHE A 30 0.241 2.672 4.554 1.00 0.00 O ATOM 472 CB PHE A 30 0.122 -0.556 3.814 1.00 0.00 C ATOM 473 CG PHE A 30 1.000 -1.485 3.007 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.289 -1.111 2.644 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.536 -2.735 2.608 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.091 -1.960 1.904 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.338 -3.584 1.868 1.00 0.00 C ATOM 478 CZ PHE A 30 2.615 -3.196 1.516 1.00 0.00 C ATOM 0 H PHE A 30 0.936 -1.291 6.038 1.00 0.00 H new ATOM 0 HA PHE A 30 1.801 0.701 4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.579 -1.152 4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.470 0.053 3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.668 -0.145 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.462 -3.045 2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.090 -1.656 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.965 -4.551 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.241 -3.859 0.937 1.00 0.00 H new ATOM 488 N LYS A 31 -0.862 1.420 6.060 1.00 0.00 N ATOM 489 CA LYS A 31 -1.719 2.512 6.499 1.00 0.00 C ATOM 490 C LYS A 31 -0.889 3.676 7.047 1.00 0.00 C ATOM 491 O LYS A 31 -1.267 4.840 6.901 1.00 0.00 O ATOM 492 CB LYS A 31 -2.698 2.022 7.567 1.00 0.00 C ATOM 493 CG LYS A 31 -3.934 2.899 7.710 1.00 0.00 C ATOM 494 CD LYS A 31 -3.843 3.796 8.934 1.00 0.00 C ATOM 495 CE LYS A 31 -5.183 3.907 9.644 1.00 0.00 C ATOM 496 NZ LYS A 31 -5.311 5.187 10.393 1.00 0.00 N ATOM 0 H LYS A 31 -1.030 0.533 6.535 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.281 2.867 5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.010 1.006 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.183 1.976 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.052 3.512 6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.821 2.270 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.097 3.399 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.505 4.788 8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.988 3.832 8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.299 3.070 10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.238 5.223 10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.558 5.248 11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.226 5.986 9.732 1.00 0.00 H new ATOM 510 N LEU A 32 0.238 3.357 7.685 1.00 0.00 N ATOM 511 CA LEU A 32 1.110 4.374 8.258 1.00 0.00 C ATOM 512 C LEU A 32 1.800 5.200 7.175 1.00 0.00 C ATOM 513 O LEU A 32 1.952 6.413 7.318 1.00 0.00 O ATOM 514 CB LEU A 32 2.155 3.717 9.167 1.00 0.00 C ATOM 515 CG LEU A 32 1.623 3.125 10.481 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.336 3.752 11.664 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.115 3.312 10.617 1.00 0.00 C ATOM 0 H LEU A 32 0.566 2.400 7.816 1.00 0.00 H new ATOM 0 HA LEU A 32 0.491 5.051 8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.648 2.923 8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.917 4.458 9.407 1.00 0.00 H new ATOM 0 HG LEU A 32 1.823 2.054 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.950 3.324 12.590 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.405 3.554 11.591 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.165 4.829 11.663 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.222 2.880 11.559 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.123 4.376 10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.389 2.814 9.789 1.00 0.00 H new ATOM 529 N ILE A 33 2.215 4.546 6.093 1.00 0.00 N ATOM 530 CA ILE A 33 2.887 5.241 5.001 1.00 0.00 C ATOM 531 C ILE A 33 1.886 6.022 4.157 1.00 0.00 C ATOM 532 O ILE A 33 2.179 7.122 3.686 1.00 0.00 O ATOM 533 CB ILE A 33 3.672 4.264 4.099 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.420 5.029 3.005 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.741 3.230 3.489 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.565 5.867 3.529 1.00 0.00 C ATOM 0 H ILE A 33 2.098 3.543 5.950 1.00 0.00 H new ATOM 0 HA ILE A 33 3.595 5.935 5.453 1.00 0.00 H new ATOM 0 HB ILE A 33 4.404 3.741 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.805 4.318 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.717 5.676 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.315 2.552 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.256 2.663 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.983 3.732 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.049 6.381 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.183 6.602 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.288 5.223 4.029 1.00 0.00 H new ATOM 548 N ALA A 34 0.699 5.453 3.975 1.00 0.00 N ATOM 549 CA ALA A 34 -0.343 6.104 3.195 1.00 0.00 C ATOM 550 C ALA A 34 -0.720 7.442 3.816 1.00 0.00 C ATOM 551 O ALA A 34 -0.379 8.500 3.289 1.00 0.00 O ATOM 552 CB ALA A 34 -1.565 5.205 3.086 1.00 0.00 C ATOM 0 H ALA A 34 0.437 4.544 4.357 1.00 0.00 H new ATOM 0 HA ALA A 34 0.042 6.288 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.335 5.707 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.287 4.271 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.950 4.992 4.083 1.00 0.00 H new ATOM 558 N ASN A 35 -1.418 7.391 4.948 1.00 0.00 N ATOM 559 CA ASN A 35 -1.832 8.603 5.644 1.00 0.00 C ATOM 560 C ASN A 35 -0.645 9.540 5.861 1.00 0.00 C ATOM 561 O ASN A 35 -0.809 10.757 5.938 1.00 0.00 O ATOM 562 CB ASN A 35 -2.470 8.252 6.991 1.00 0.00 C ATOM 563 CG ASN A 35 -3.844 7.619 6.845 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.162 6.646 7.528 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.670 8.162 5.952 1.00 0.00 N ATOM 0 H ASN A 35 -1.708 6.524 5.401 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.568 9.114 5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.815 7.568 7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.554 9.156 7.595 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.602 7.771 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.370 8.969 5.404 1.00 0.00 H new ATOM 572 N ALA A 36 0.552 8.965 5.952 1.00 0.00 N ATOM 573 CA ALA A 36 1.763 9.748 6.155 1.00 0.00 C ATOM 574 C ALA A 36 2.118 10.557 4.910 1.00 0.00 C ATOM 575 O ALA A 36 2.856 11.539 4.990 1.00 0.00 O ATOM 576 CB ALA A 36 2.921 8.839 6.539 1.00 0.00 C ATOM 0 H ALA A 36 0.707 7.959 5.888 1.00 0.00 H new ATOM 0 HA ALA A 36 1.575 10.449 6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.820 9.438 6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.679 8.312 7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.095 8.115 5.743 1.00 0.00 H new ATOM 582 N LYS A 37 1.587 10.143 3.761 1.00 0.00 N ATOM 583 CA LYS A 37 1.856 10.843 2.507 1.00 0.00 C ATOM 584 C LYS A 37 0.952 10.338 1.385 1.00 0.00 C ATOM 585 O LYS A 37 1.429 9.883 0.345 1.00 0.00 O ATOM 586 CB LYS A 37 3.330 10.690 2.112 1.00 0.00 C ATOM 587 CG LYS A 37 3.775 9.249 1.913 1.00 0.00 C ATOM 588 CD LYS A 37 5.244 9.168 1.532 1.00 0.00 C ATOM 589 CE LYS A 37 5.530 9.916 0.238 1.00 0.00 C ATOM 590 NZ LYS A 37 4.738 9.376 -0.903 1.00 0.00 N ATOM 0 H LYS A 37 0.973 9.333 3.672 1.00 0.00 H new ATOM 0 HA LYS A 37 1.641 11.900 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.507 11.244 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.951 11.147 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.604 8.684 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.170 8.784 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.852 9.584 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.534 8.123 1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.300 10.973 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.593 9.848 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.296 9.447 -1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.504 8.379 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.861 9.925 -1.007 1.00 0.00 H new ATOM 604 N THR A 38 -0.357 10.430 1.599 1.00 0.00 N ATOM 605 CA THR A 38 -1.331 9.991 0.605 1.00 0.00 C ATOM 606 C THR A 38 -2.719 10.542 0.926 1.00 0.00 C ATOM 607 O THR A 38 -3.161 11.520 0.323 1.00 0.00 O ATOM 608 CB THR A 38 -1.372 8.462 0.534 1.00 0.00 C ATOM 609 OG1 THR A 38 -0.106 7.943 0.171 1.00 0.00 O ATOM 610 CG2 THR A 38 -2.384 7.936 -0.463 1.00 0.00 C ATOM 0 H THR A 38 -0.768 10.805 2.454 1.00 0.00 H new ATOM 0 HA THR A 38 -1.023 10.378 -0.366 1.00 0.00 H new ATOM 0 HB THR A 38 -1.663 8.135 1.532 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.436 8.654 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.362 6.846 -0.463 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.381 8.278 -0.185 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.139 8.304 -1.459 1.00 0.00 H new ATOM 618 N VAL A 39 -3.397 9.911 1.884 1.00 0.00 N ATOM 619 CA VAL A 39 -4.734 10.335 2.300 1.00 0.00 C ATOM 620 C VAL A 39 -5.617 10.687 1.100 1.00 0.00 C ATOM 621 O VAL A 39 -6.340 11.685 1.119 1.00 0.00 O ATOM 622 CB VAL A 39 -4.665 11.542 3.257 1.00 0.00 C ATOM 623 CG1 VAL A 39 -4.062 12.747 2.566 1.00 0.00 C ATOM 624 CG2 VAL A 39 -6.044 11.869 3.811 1.00 0.00 C ATOM 0 H VAL A 39 -3.040 9.100 2.389 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.181 9.490 2.823 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.017 11.275 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.025 13.585 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.053 12.507 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.674 13.017 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.973 12.724 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.719 12.110 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.430 11.008 4.357 1.00 0.00 H new ATOM 634 N GLU A 40 -5.556 9.863 0.060 1.00 0.00 N ATOM 635 CA GLU A 40 -6.351 10.092 -1.142 1.00 0.00 C ATOM 636 C GLU A 40 -6.138 8.976 -2.161 1.00 0.00 C ATOM 637 O GLU A 40 -5.058 8.849 -2.738 1.00 0.00 O ATOM 638 CB GLU A 40 -5.995 11.435 -1.762 1.00 0.00 C ATOM 639 CG GLU A 40 -7.146 12.432 -1.762 1.00 0.00 C ATOM 640 CD GLU A 40 -6.674 13.875 -1.752 1.00 0.00 C ATOM 641 OE1 GLU A 40 -6.076 14.293 -0.741 1.00 0.00 O ATOM 642 OE2 GLU A 40 -6.907 14.575 -2.755 1.00 0.00 O ATOM 0 H GLU A 40 -4.966 9.032 0.024 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.402 10.098 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.153 11.865 -1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.664 11.275 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.767 12.264 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.775 12.254 -0.890 1.00 0.00 H new ATOM 649 N GLY A 41 -7.173 8.171 -2.378 1.00 0.00 N ATOM 650 CA GLY A 41 -7.071 7.078 -3.332 1.00 0.00 C ATOM 651 C GLY A 41 -8.118 6.005 -3.105 1.00 0.00 C ATOM 652 O GLY A 41 -8.847 6.039 -2.114 1.00 0.00 O ATOM 0 H GLY A 41 -8.077 8.254 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.174 7.472 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.079 6.632 -3.263 1.00 0.00 H new ATOM 656 N VAL A 42 -8.183 5.042 -4.020 1.00 0.00 N ATOM 657 CA VAL A 42 -9.137 3.947 -3.910 1.00 0.00 C ATOM 658 C VAL A 42 -8.430 2.681 -3.453 1.00 0.00 C ATOM 659 O VAL A 42 -7.677 2.063 -4.205 1.00 0.00 O ATOM 660 CB VAL A 42 -9.865 3.675 -5.242 1.00 0.00 C ATOM 661 CG1 VAL A 42 -10.997 2.679 -5.039 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.391 4.973 -5.838 1.00 0.00 C ATOM 0 H VAL A 42 -7.585 4.999 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.884 4.244 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.151 3.242 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.499 2.500 -5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.592 1.741 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.712 3.082 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.902 4.761 -6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.090 5.436 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.559 5.652 -6.022 1.00 0.00 H new ATOM 672 N TRP A 43 -8.672 2.320 -2.201 1.00 0.00 N ATOM 673 CA TRP A 43 -8.074 1.157 -1.592 1.00 0.00 C ATOM 674 C TRP A 43 -8.546 -0.133 -2.258 1.00 0.00 C ATOM 675 O TRP A 43 -9.737 -0.447 -2.253 1.00 0.00 O ATOM 676 CB TRP A 43 -8.448 1.161 -0.115 1.00 0.00 C ATOM 677 CG TRP A 43 -7.426 1.827 0.766 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.236 3.175 0.903 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.455 1.198 1.628 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.222 3.424 1.790 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.726 2.235 2.248 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.129 -0.131 1.940 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.701 1.993 3.155 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.090 -0.369 2.858 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.398 0.695 3.447 1.00 0.00 C ATOM 0 H TRP A 43 -9.296 2.836 -1.580 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.992 1.197 -1.716 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.405 1.668 0.007 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.587 0.133 0.218 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.804 3.934 0.386 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.890 4.349 2.065 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.664 -0.952 1.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.161 2.807 3.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.823 -1.385 3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.605 0.484 4.149 1.00 0.00 H new ATOM 696 N THR A 44 -7.602 -0.877 -2.821 1.00 0.00 N ATOM 697 CA THR A 44 -7.909 -2.139 -3.485 1.00 0.00 C ATOM 698 C THR A 44 -6.836 -3.174 -3.168 1.00 0.00 C ATOM 699 O THR A 44 -5.757 -2.827 -2.690 1.00 0.00 O ATOM 700 CB THR A 44 -8.014 -1.938 -4.997 1.00 0.00 C ATOM 701 OG1 THR A 44 -6.814 -1.391 -5.517 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.149 -1.022 -5.402 1.00 0.00 C ATOM 0 H THR A 44 -6.613 -0.627 -2.831 1.00 0.00 H new ATOM 0 HA THR A 44 -8.869 -2.499 -3.115 1.00 0.00 H new ATOM 0 HB THR A 44 -8.205 -2.930 -5.406 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.902 -1.272 -6.486 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.167 -0.923 -6.487 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.095 -1.442 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.004 -0.041 -4.950 1.00 0.00 H new ATOM 710 N TYR A 45 -7.130 -4.443 -3.434 1.00 0.00 N ATOM 711 CA TYR A 45 -6.166 -5.508 -3.168 1.00 0.00 C ATOM 712 C TYR A 45 -6.230 -6.591 -4.242 1.00 0.00 C ATOM 713 O TYR A 45 -7.302 -6.919 -4.752 1.00 0.00 O ATOM 714 CB TYR A 45 -6.386 -6.105 -1.764 1.00 0.00 C ATOM 715 CG TYR A 45 -6.236 -7.613 -1.685 1.00 0.00 C ATOM 716 CD1 TYR A 45 -7.245 -8.455 -2.137 1.00 0.00 C ATOM 717 CD2 TYR A 45 -5.087 -8.188 -1.159 1.00 0.00 C ATOM 718 CE1 TYR A 45 -7.112 -9.829 -2.064 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.946 -9.561 -1.083 1.00 0.00 C ATOM 720 CZ TYR A 45 -5.961 -10.375 -1.537 1.00 0.00 C ATOM 721 OH TYR A 45 -5.825 -11.743 -1.465 1.00 0.00 O ATOM 0 H TYR A 45 -8.016 -4.758 -3.829 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.167 -5.073 -3.198 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.677 -5.647 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.385 -5.835 -1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.147 -8.029 -2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.290 -7.552 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.905 -10.471 -2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.046 -9.993 -0.670 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.956 -11.965 -1.070 1.00 0.00 H new ATOM 731 N LYS A 46 -5.067 -7.145 -4.573 1.00 0.00 N ATOM 732 CA LYS A 46 -4.975 -8.196 -5.577 1.00 0.00 C ATOM 733 C LYS A 46 -4.636 -9.533 -4.923 1.00 0.00 C ATOM 734 O LYS A 46 -3.725 -9.617 -4.092 1.00 0.00 O ATOM 735 CB LYS A 46 -3.916 -7.847 -6.628 1.00 0.00 C ATOM 736 CG LYS A 46 -3.898 -6.376 -7.014 1.00 0.00 C ATOM 737 CD LYS A 46 -2.601 -5.998 -7.711 1.00 0.00 C ATOM 738 CE LYS A 46 -2.402 -6.796 -8.989 1.00 0.00 C ATOM 739 NZ LYS A 46 -1.021 -6.648 -9.525 1.00 0.00 N ATOM 0 H LYS A 46 -4.173 -6.881 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.944 -8.280 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.933 -8.125 -6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.093 -8.446 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.741 -6.161 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.025 -5.763 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.609 -4.933 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.761 -6.171 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.605 -7.849 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.120 -6.465 -9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.925 -7.207 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.835 -5.646 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.337 -6.987 -8.819 1.00 0.00 H new ATOM 753 N ASP A 47 -5.385 -10.570 -5.299 1.00 0.00 N ATOM 754 CA ASP A 47 -5.182 -11.907 -4.753 1.00 0.00 C ATOM 755 C ASP A 47 -4.130 -12.674 -5.547 1.00 0.00 C ATOM 756 O ASP A 47 -4.302 -12.932 -6.736 1.00 0.00 O ATOM 757 CB ASP A 47 -6.500 -12.683 -4.750 1.00 0.00 C ATOM 758 CG ASP A 47 -6.505 -13.812 -3.739 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.420 -14.363 -3.460 1.00 0.00 O ATOM 760 OD2 ASP A 47 -7.594 -14.145 -3.227 1.00 0.00 O ATOM 0 H ASP A 47 -6.140 -10.506 -5.982 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.825 -11.800 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.320 -11.999 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.681 -13.089 -5.745 1.00 0.00 H new ATOM 765 N GLU A 48 -3.046 -13.037 -4.871 1.00 0.00 N ATOM 766 CA GLU A 48 -1.946 -13.784 -5.485 1.00 0.00 C ATOM 767 C GLU A 48 -0.704 -13.716 -4.603 1.00 0.00 C ATOM 768 O GLU A 48 -0.231 -14.734 -4.098 1.00 0.00 O ATOM 769 CB GLU A 48 -1.622 -13.250 -6.886 1.00 0.00 C ATOM 770 CG GLU A 48 -1.626 -11.733 -6.999 1.00 0.00 C ATOM 771 CD GLU A 48 -2.287 -11.246 -8.274 1.00 0.00 C ATOM 772 OE1 GLU A 48 -2.028 -11.840 -9.342 1.00 0.00 O ATOM 773 OE2 GLU A 48 -3.066 -10.271 -8.204 1.00 0.00 O ATOM 0 H GLU A 48 -2.902 -12.824 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.262 -14.823 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.642 -13.621 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.346 -13.656 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.146 -11.310 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.600 -11.367 -6.963 1.00 0.00 H new ATOM 780 N ILE A 49 -0.193 -12.505 -4.408 1.00 0.00 N ATOM 781 CA ILE A 49 0.980 -12.295 -3.570 1.00 0.00 C ATOM 782 C ILE A 49 0.678 -11.274 -2.476 1.00 0.00 C ATOM 783 O ILE A 49 1.587 -10.646 -1.930 1.00 0.00 O ATOM 784 CB ILE A 49 2.187 -11.810 -4.397 1.00 0.00 C ATOM 785 CG1 ILE A 49 2.316 -12.627 -5.680 1.00 0.00 C ATOM 786 CG2 ILE A 49 3.466 -11.897 -3.574 1.00 0.00 C ATOM 787 CD1 ILE A 49 3.305 -12.046 -6.667 1.00 0.00 C ATOM 0 H ILE A 49 -0.574 -11.653 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 49 1.231 -13.255 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 49 2.025 -10.767 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.621 -13.642 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.338 -12.698 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.308 -11.551 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.371 -11.272 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.635 -12.931 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.346 -12.677 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.990 -11.042 -6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.293 -12.000 -6.208 1.00 0.00 H new ATOM 799 N LYS A 50 -0.607 -11.112 -2.164 1.00 0.00 N ATOM 800 CA LYS A 50 -1.035 -10.165 -1.140 1.00 0.00 C ATOM 801 C LYS A 50 -0.568 -8.756 -1.478 1.00 0.00 C ATOM 802 O LYS A 50 0.472 -8.302 -0.997 1.00 0.00 O ATOM 803 CB LYS A 50 -0.496 -10.582 0.231 1.00 0.00 C ATOM 804 CG LYS A 50 -0.633 -12.068 0.515 1.00 0.00 C ATOM 805 CD LYS A 50 -1.916 -12.376 1.271 1.00 0.00 C ATOM 806 CE LYS A 50 -2.570 -13.652 0.764 1.00 0.00 C ATOM 807 NZ LYS A 50 -3.566 -14.187 1.733 1.00 0.00 N ATOM 0 H LYS A 50 -1.369 -11.625 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.125 -10.170 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.556 -10.304 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.023 -10.023 1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.621 -12.621 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.224 -12.409 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.698 -12.476 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.611 -11.543 1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.060 -13.455 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.803 -14.404 0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.989 -15.057 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.094 -14.399 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.312 -13.479 1.891 1.00 0.00 H new ATOM 821 N THR A 51 -1.337 -8.060 -2.313 1.00 0.00 N ATOM 822 CA THR A 51 -0.976 -6.703 -2.707 1.00 0.00 C ATOM 823 C THR A 51 -2.174 -5.763 -2.649 1.00 0.00 C ATOM 824 O THR A 51 -3.287 -6.131 -3.017 1.00 0.00 O ATOM 825 CB THR A 51 -0.378 -6.700 -4.113 1.00 0.00 C ATOM 826 OG1 THR A 51 -1.284 -7.266 -5.043 1.00 0.00 O ATOM 827 CG2 THR A 51 0.923 -7.467 -4.214 1.00 0.00 C ATOM 0 H THR A 51 -2.203 -8.409 -2.724 1.00 0.00 H new ATOM 0 HA THR A 51 -0.231 -6.342 -1.998 1.00 0.00 H new ATOM 0 HB THR A 51 -0.180 -5.652 -4.340 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.783 -7.690 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.292 -7.424 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.660 -7.024 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.755 -8.506 -3.932 1.00 0.00 H new ATOM 835 N PHE A 52 -1.924 -4.541 -2.189 1.00 0.00 N ATOM 836 CA PHE A 52 -2.967 -3.526 -2.086 1.00 0.00 C ATOM 837 C PHE A 52 -2.629 -2.331 -2.971 1.00 0.00 C ATOM 838 O PHE A 52 -1.475 -2.138 -3.347 1.00 0.00 O ATOM 839 CB PHE A 52 -3.132 -3.073 -0.633 1.00 0.00 C ATOM 840 CG PHE A 52 -3.127 -4.205 0.353 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.932 -4.727 0.822 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.317 -4.747 0.811 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.923 -5.769 1.729 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.315 -5.788 1.719 1.00 0.00 C ATOM 845 CZ PHE A 52 -3.117 -6.301 2.179 1.00 0.00 C ATOM 0 H PHE A 52 -1.003 -4.229 -1.880 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.907 -3.961 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.328 -2.381 -0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.068 -2.522 -0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.997 -4.314 0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.256 -4.351 0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.985 -6.167 2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.249 -6.201 2.069 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.114 -7.115 2.888 1.00 0.00 H new ATOM 855 N THR A 53 -3.634 -1.533 -3.310 1.00 0.00 N ATOM 856 CA THR A 53 -3.411 -0.367 -4.156 1.00 0.00 C ATOM 857 C THR A 53 -4.350 0.779 -3.784 1.00 0.00 C ATOM 858 O THR A 53 -5.452 0.558 -3.284 1.00 0.00 O ATOM 859 CB THR A 53 -3.592 -0.744 -5.633 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.654 -1.736 -6.013 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.442 0.421 -6.600 1.00 0.00 C ATOM 0 H THR A 53 -4.601 -1.669 -3.016 1.00 0.00 H new ATOM 0 HA THR A 53 -2.388 -0.026 -3.996 1.00 0.00 H new ATOM 0 HB THR A 53 -4.617 -1.107 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.785 -1.965 -6.957 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.585 0.067 -7.621 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.189 1.182 -6.372 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.445 0.850 -6.501 1.00 0.00 H new ATOM 869 N VAL A 54 -3.904 2.002 -4.053 1.00 0.00 N ATOM 870 CA VAL A 54 -4.699 3.192 -3.772 1.00 0.00 C ATOM 871 C VAL A 54 -4.639 4.160 -4.958 1.00 0.00 C ATOM 872 O VAL A 54 -3.642 4.850 -5.171 1.00 0.00 O ATOM 873 CB VAL A 54 -4.253 3.889 -2.453 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.186 4.958 -2.681 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.458 4.486 -1.739 1.00 0.00 C ATOM 0 H VAL A 54 -2.992 2.195 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.733 2.879 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.801 3.121 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.914 5.410 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.304 4.502 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.577 5.726 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.132 4.970 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.937 5.221 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.169 3.695 -1.501 1.00 0.00 H new ATOM 885 N THR A 55 -5.708 4.179 -5.745 1.00 0.00 N ATOM 886 CA THR A 55 -5.774 5.039 -6.923 1.00 0.00 C ATOM 887 C THR A 55 -6.460 6.364 -6.606 1.00 0.00 C ATOM 888 O THR A 55 -7.624 6.393 -6.205 1.00 0.00 O ATOM 889 CB THR A 55 -6.515 4.328 -8.057 1.00 0.00 C ATOM 890 OG1 THR A 55 -6.335 2.925 -7.972 1.00 0.00 O ATOM 891 CG2 THR A 55 -6.064 4.766 -9.434 1.00 0.00 C ATOM 0 H THR A 55 -6.540 3.610 -5.590 1.00 0.00 H new ATOM 0 HA THR A 55 -4.752 5.252 -7.237 1.00 0.00 H new ATOM 0 HB THR A 55 -7.563 4.600 -7.932 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.818 2.488 -8.705 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.629 4.223 -10.192 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.236 5.836 -9.550 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.001 4.554 -9.553 1.00 0.00 H new ATOM 899 N GLU A 56 -5.731 7.459 -6.798 1.00 0.00 N ATOM 900 CA GLU A 56 -6.264 8.792 -6.540 1.00 0.00 C ATOM 901 C GLU A 56 -6.767 9.422 -7.829 1.00 0.00 C ATOM 902 O GLU A 56 -6.000 9.445 -8.819 1.00 0.00 O ATOM 903 CB GLU A 56 -5.190 9.674 -5.898 1.00 0.00 C ATOM 904 CG GLU A 56 -5.608 11.129 -5.732 1.00 0.00 C ATOM 905 CD GLU A 56 -4.975 12.033 -6.764 1.00 0.00 C ATOM 906 OE1 GLU A 56 -3.786 12.379 -6.600 1.00 0.00 O ATOM 907 OE2 GLU A 56 -5.665 12.402 -7.739 1.00 0.00 O ATOM 908 OXT GLU A 56 -7.921 9.901 -7.845 1.00 0.00 O ATOM 0 H GLU A 56 -4.767 7.449 -7.132 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.103 8.705 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.934 9.265 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.287 9.632 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.693 11.203 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.332 11.472 -4.735 1.00 0.00 H new