USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 MET CE :methyl 160:sc= -0.176 (180deg=-0.854) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0982 (180deg=-0.013) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= 1.18 (180deg=0.831) USER MOD Single : A 11 CYS SG : rot -57:sc= 0.643 USER MOD Single : A 14 THR OG1 : rot -35:sc= 0.321 USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= -0.0414 (180deg=-0.273) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.987 K(o=0.99,f=-6.2!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 129:sc= 1.07 (180deg=0.562) USER MOD Single : A 25 GLN : amide:sc= -0.547 K(o=-0.55,f=-4.5!) USER MOD Single : A 29 SER OG : rot 87:sc= 0.399 USER MOD Single : A 31 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.012) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -0.0199 (180deg=-0.185) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -110:sc= -0.451 (180deg=-0.946) USER MOD Single : A 48 ASN : amide:sc= -0.791 K(o=-0.79,f=-0.0093) USER MOD Single : A 54 SER OG : rot 94:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc=-0.00644 X(o=-0.0064,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.033) USER MOD Single : A 66 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.088 16.828 -8.711 1.00 0.00 N ATOM 2 CA MET A 1 8.151 17.122 -9.821 1.00 0.00 C ATOM 3 C MET A 1 6.809 16.454 -9.562 1.00 0.00 C ATOM 4 O MET A 1 6.512 16.057 -8.435 1.00 0.00 O ATOM 5 CB MET A 1 8.715 16.623 -11.159 1.00 0.00 C ATOM 6 CG MET A 1 9.961 17.356 -11.628 1.00 0.00 C ATOM 7 SD MET A 1 10.548 16.770 -13.233 1.00 0.00 S ATOM 8 CE MET A 1 9.138 17.160 -14.269 1.00 0.00 C ATOM 0 H1 MET A 1 9.453 17.720 -8.320 1.00 0.00 H new ATOM 0 H2 MET A 1 8.589 16.302 -7.966 1.00 0.00 H new ATOM 0 H3 MET A 1 9.880 16.256 -9.068 1.00 0.00 H new ATOM 0 HA MET A 1 8.019 18.203 -9.875 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.945 15.561 -11.069 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.943 16.718 -11.923 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.748 18.423 -11.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.752 17.231 -10.888 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.452 17.197 -15.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.374 16.392 -14.148 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.729 18.128 -13.978 1.00 0.00 H new ATOM 20 N GLU A 2 5.997 16.348 -10.607 1.00 0.00 N ATOM 21 CA GLU A 2 4.698 15.703 -10.511 1.00 0.00 C ATOM 22 C GLU A 2 4.860 14.193 -10.356 1.00 0.00 C ATOM 23 O GLU A 2 4.731 13.438 -11.319 1.00 0.00 O ATOM 24 CB GLU A 2 3.833 16.002 -11.748 1.00 0.00 C ATOM 25 CG GLU A 2 3.698 17.481 -12.090 1.00 0.00 C ATOM 26 CD GLU A 2 4.880 18.013 -12.879 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.872 18.451 -12.257 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.821 17.995 -14.128 1.00 0.00 O ATOM 0 H GLU A 2 6.220 16.704 -11.536 1.00 0.00 H new ATOM 0 HA GLU A 2 4.197 16.105 -9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.259 15.482 -12.606 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.838 15.588 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.785 17.634 -12.665 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.595 18.054 -11.169 1.00 0.00 H new ATOM 35 N LYS A 3 5.171 13.758 -9.144 1.00 0.00 N ATOM 36 CA LYS A 3 5.331 12.341 -8.866 1.00 0.00 C ATOM 37 C LYS A 3 4.004 11.738 -8.449 1.00 0.00 C ATOM 38 O LYS A 3 3.861 10.522 -8.332 1.00 0.00 O ATOM 39 CB LYS A 3 6.380 12.110 -7.781 1.00 0.00 C ATOM 40 CG LYS A 3 6.016 12.708 -6.433 1.00 0.00 C ATOM 41 CD LYS A 3 7.037 12.326 -5.380 1.00 0.00 C ATOM 42 CE LYS A 3 6.691 12.913 -4.023 1.00 0.00 C ATOM 43 NZ LYS A 3 7.673 12.513 -2.982 1.00 0.00 N ATOM 0 H LYS A 3 5.317 14.367 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 3 5.673 11.852 -9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.534 11.038 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.329 12.534 -8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.961 13.793 -6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.028 12.360 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.092 11.240 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.023 12.674 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.660 14.000 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.694 12.584 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.403 12.933 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.685 11.477 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.620 12.849 -3.251 1.00 0.00 H new ATOM 57 N LYS A 4 3.019 12.600 -8.252 1.00 0.00 N ATOM 58 CA LYS A 4 1.683 12.153 -7.899 1.00 0.00 C ATOM 59 C LYS A 4 0.919 11.702 -9.133 1.00 0.00 C ATOM 60 O LYS A 4 -0.305 11.623 -9.134 1.00 0.00 O ATOM 61 CB LYS A 4 0.929 13.232 -7.130 1.00 0.00 C ATOM 62 CG LYS A 4 1.387 13.326 -5.685 1.00 0.00 C ATOM 63 CD LYS A 4 0.575 14.330 -4.897 1.00 0.00 C ATOM 64 CE LYS A 4 0.967 14.327 -3.426 1.00 0.00 C ATOM 65 NZ LYS A 4 0.623 13.039 -2.758 1.00 0.00 N ATOM 0 H LYS A 4 3.120 13.612 -8.331 1.00 0.00 H new ATOM 0 HA LYS A 4 1.776 11.291 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.074 14.195 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.139 13.018 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.307 12.346 -5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.439 13.608 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.723 15.327 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.486 14.099 -4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.038 14.507 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.462 15.147 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.683 13.156 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.344 12.760 -3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.290 12.301 -3.062 1.00 0.00 H new ATOM 79 N PHE A 5 1.669 11.386 -10.175 1.00 0.00 N ATOM 80 CA PHE A 5 1.128 10.724 -11.343 1.00 0.00 C ATOM 81 C PHE A 5 0.838 9.264 -10.995 1.00 0.00 C ATOM 82 O PHE A 5 -0.094 8.662 -11.518 1.00 0.00 O ATOM 83 CB PHE A 5 2.133 10.820 -12.497 1.00 0.00 C ATOM 84 CG PHE A 5 1.660 10.218 -13.790 1.00 0.00 C ATOM 85 CD1 PHE A 5 0.793 10.912 -14.616 1.00 0.00 C ATOM 86 CD2 PHE A 5 2.091 8.962 -14.183 1.00 0.00 C ATOM 87 CE1 PHE A 5 0.362 10.364 -15.808 1.00 0.00 C ATOM 88 CE2 PHE A 5 1.663 8.408 -15.373 1.00 0.00 C ATOM 89 CZ PHE A 5 0.797 9.111 -16.187 1.00 0.00 C ATOM 0 H PHE A 5 2.668 11.582 -10.232 1.00 0.00 H new ATOM 0 HA PHE A 5 0.201 11.205 -11.654 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.373 11.870 -12.666 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.058 10.326 -12.198 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.450 11.894 -14.325 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.770 8.409 -13.551 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.315 10.916 -16.443 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.005 7.427 -15.667 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.461 8.681 -17.119 1.00 0.00 H new ATOM 99 N LEU A 6 1.646 8.706 -10.094 1.00 0.00 N ATOM 100 CA LEU A 6 1.465 7.335 -9.651 1.00 0.00 C ATOM 101 C LEU A 6 1.316 7.243 -8.130 1.00 0.00 C ATOM 102 O LEU A 6 0.802 6.260 -7.611 1.00 0.00 O ATOM 103 CB LEU A 6 2.610 6.421 -10.147 1.00 0.00 C ATOM 104 CG LEU A 6 4.069 6.947 -10.086 1.00 0.00 C ATOM 105 CD1 LEU A 6 4.326 8.038 -11.114 1.00 0.00 C ATOM 106 CD2 LEU A 6 4.448 7.429 -8.695 1.00 0.00 C ATOM 0 H LEU A 6 2.432 9.188 -9.659 1.00 0.00 H new ATOM 0 HA LEU A 6 0.536 6.980 -10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.568 5.497 -9.570 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.397 6.159 -11.183 1.00 0.00 H new ATOM 0 HG LEU A 6 4.706 6.097 -10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.359 8.376 -11.035 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.149 7.644 -12.115 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.655 8.877 -10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.477 7.787 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.783 8.240 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.355 6.606 -7.987 1.00 0.00 H new ATOM 118 N ASP A 7 1.769 8.276 -7.426 1.00 0.00 N ATOM 119 CA ASP A 7 1.693 8.315 -5.958 1.00 0.00 C ATOM 120 C ASP A 7 0.247 8.418 -5.459 1.00 0.00 C ATOM 121 O ASP A 7 -0.044 8.084 -4.311 1.00 0.00 O ATOM 122 CB ASP A 7 2.535 9.483 -5.414 1.00 0.00 C ATOM 123 CG ASP A 7 2.300 9.778 -3.940 1.00 0.00 C ATOM 124 OD1 ASP A 7 2.889 9.090 -3.083 1.00 0.00 O ATOM 125 OD2 ASP A 7 1.538 10.719 -3.632 1.00 0.00 O ATOM 0 H ASP A 7 2.195 9.103 -7.844 1.00 0.00 H new ATOM 0 HA ASP A 7 2.098 7.375 -5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.591 9.259 -5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.313 10.379 -5.994 1.00 0.00 H new ATOM 130 N ILE A 8 -0.664 8.836 -6.333 1.00 0.00 N ATOM 131 CA ILE A 8 -2.067 9.026 -5.951 1.00 0.00 C ATOM 132 C ILE A 8 -2.836 7.703 -5.899 1.00 0.00 C ATOM 133 O ILE A 8 -4.027 7.655 -6.215 1.00 0.00 O ATOM 134 CB ILE A 8 -2.798 9.985 -6.913 1.00 0.00 C ATOM 135 CG1 ILE A 8 -2.592 9.550 -8.369 1.00 0.00 C ATOM 136 CG2 ILE A 8 -2.328 11.412 -6.697 1.00 0.00 C ATOM 137 CD1 ILE A 8 -3.401 10.352 -9.367 1.00 0.00 C ATOM 0 H ILE A 8 -0.460 9.050 -7.309 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.044 9.463 -4.953 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.866 9.945 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.535 9.638 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.856 8.497 -8.464 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.853 12.076 -7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.537 11.712 -5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.256 11.474 -6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.202 9.986 -10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.463 10.245 -9.145 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.121 11.403 -9.301 1.00 0.00 H new ATOM 149 N LEU A 9 -2.165 6.639 -5.480 1.00 0.00 N ATOM 150 CA LEU A 9 -2.808 5.342 -5.338 1.00 0.00 C ATOM 151 C LEU A 9 -3.681 5.316 -4.092 1.00 0.00 C ATOM 152 O LEU A 9 -3.221 5.625 -2.990 1.00 0.00 O ATOM 153 CB LEU A 9 -1.771 4.221 -5.258 1.00 0.00 C ATOM 154 CG LEU A 9 -0.896 4.045 -6.501 1.00 0.00 C ATOM 155 CD1 LEU A 9 0.130 2.943 -6.284 1.00 0.00 C ATOM 156 CD2 LEU A 9 -1.754 3.738 -7.720 1.00 0.00 C ATOM 0 H LEU A 9 -1.175 6.649 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.430 5.181 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.123 4.409 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.290 3.282 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.365 4.980 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.742 2.834 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.767 3.201 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.383 2.003 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.114 3.616 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.313 2.818 -7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.450 4.559 -7.891 1.00 0.00 H new ATOM 168 N VAL A 10 -4.939 4.951 -4.281 1.00 0.00 N ATOM 169 CA VAL A 10 -5.892 4.850 -3.183 1.00 0.00 C ATOM 170 C VAL A 10 -6.693 3.560 -3.304 1.00 0.00 C ATOM 171 O VAL A 10 -6.780 2.977 -4.383 1.00 0.00 O ATOM 172 CB VAL A 10 -6.866 6.052 -3.144 1.00 0.00 C ATOM 173 CG1 VAL A 10 -6.125 7.340 -2.820 1.00 0.00 C ATOM 174 CG2 VAL A 10 -7.617 6.186 -4.462 1.00 0.00 C ATOM 0 H VAL A 10 -5.329 4.717 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.317 4.851 -2.257 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.593 5.867 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.831 8.170 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.643 7.248 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.369 7.526 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.295 7.038 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.905 6.339 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.190 5.277 -4.649 1.00 0.00 H new ATOM 184 N CYS A 11 -7.264 3.112 -2.198 1.00 0.00 N ATOM 185 CA CYS A 11 -8.067 1.898 -2.197 1.00 0.00 C ATOM 186 C CYS A 11 -9.550 2.243 -2.279 1.00 0.00 C ATOM 187 O CYS A 11 -9.990 3.233 -1.705 1.00 0.00 O ATOM 188 CB CYS A 11 -7.783 1.080 -0.933 1.00 0.00 C ATOM 189 SG CYS A 11 -7.904 2.029 0.601 1.00 0.00 S ATOM 0 H CYS A 11 -7.187 3.569 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.800 1.302 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.483 0.246 -0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.783 0.653 -1.006 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.097 3.047 0.546 1.00 0.00 H new ATOM 195 N PRO A 12 -10.345 1.427 -2.987 1.00 0.00 N ATOM 196 CA PRO A 12 -11.787 1.653 -3.144 1.00 0.00 C ATOM 197 C PRO A 12 -12.589 1.209 -1.919 1.00 0.00 C ATOM 198 O PRO A 12 -13.818 1.287 -1.905 1.00 0.00 O ATOM 199 CB PRO A 12 -12.162 0.793 -4.364 1.00 0.00 C ATOM 200 CG PRO A 12 -10.882 0.204 -4.869 1.00 0.00 C ATOM 201 CD PRO A 12 -9.918 0.235 -3.720 1.00 0.00 C ATOM 0 HA PRO A 12 -12.013 2.712 -3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.868 0.010 -4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.643 1.397 -5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.036 -0.817 -5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.498 0.776 -5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.985 -0.665 -3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.885 0.314 -4.058 1.00 0.00 H new ATOM 209 N VAL A 13 -11.881 0.745 -0.898 1.00 0.00 N ATOM 210 CA VAL A 13 -12.515 0.253 0.320 1.00 0.00 C ATOM 211 C VAL A 13 -12.773 1.393 1.302 1.00 0.00 C ATOM 212 O VAL A 13 -13.897 1.585 1.764 1.00 0.00 O ATOM 213 CB VAL A 13 -11.651 -0.827 1.011 1.00 0.00 C ATOM 214 CG1 VAL A 13 -12.360 -1.387 2.238 1.00 0.00 C ATOM 215 CG2 VAL A 13 -11.305 -1.941 0.034 1.00 0.00 C ATOM 0 H VAL A 13 -10.862 0.699 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.466 -0.192 0.026 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.723 -0.360 1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.732 -2.145 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.549 -0.582 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.307 -1.835 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.697 -2.692 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.222 -2.403 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.748 -1.528 -0.807 1.00 0.00 H new ATOM 225 N THR A 14 -11.728 2.150 1.612 1.00 0.00 N ATOM 226 CA THR A 14 -11.840 3.240 2.573 1.00 0.00 C ATOM 227 C THR A 14 -11.286 4.543 1.980 1.00 0.00 C ATOM 228 O THR A 14 -11.280 5.589 2.632 1.00 0.00 O ATOM 229 CB THR A 14 -11.103 2.883 3.891 1.00 0.00 C ATOM 230 OG1 THR A 14 -11.406 3.835 4.918 1.00 0.00 O ATOM 231 CG2 THR A 14 -9.597 2.830 3.680 1.00 0.00 C ATOM 0 H THR A 14 -10.797 2.030 1.214 1.00 0.00 H new ATOM 0 HA THR A 14 -12.896 3.389 2.800 1.00 0.00 H new ATOM 0 HB THR A 14 -11.451 1.898 4.202 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.499 4.726 4.521 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.107 2.578 4.620 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.361 2.072 2.933 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.243 3.802 3.336 1.00 0.00 H new ATOM 239 N LYS A 15 -10.840 4.460 0.722 1.00 0.00 N ATOM 240 CA LYS A 15 -10.263 5.596 -0.007 1.00 0.00 C ATOM 241 C LYS A 15 -9.028 6.164 0.692 1.00 0.00 C ATOM 242 O LYS A 15 -8.700 7.344 0.551 1.00 0.00 O ATOM 243 CB LYS A 15 -11.312 6.688 -0.243 1.00 0.00 C ATOM 244 CG LYS A 15 -12.383 6.280 -1.247 1.00 0.00 C ATOM 245 CD LYS A 15 -13.284 7.449 -1.616 1.00 0.00 C ATOM 246 CE LYS A 15 -14.291 7.061 -2.690 1.00 0.00 C ATOM 247 NZ LYS A 15 -13.628 6.654 -3.960 1.00 0.00 N ATOM 0 H LYS A 15 -10.869 3.598 0.177 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.936 5.220 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.788 6.938 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.815 7.591 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.908 5.889 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.986 5.474 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.813 7.796 -0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.675 8.281 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.910 6.241 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.957 7.902 -2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.331 6.628 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.882 7.339 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.207 5.710 -3.845 1.00 0.00 H new ATOM 261 N GLY A 16 -8.331 5.307 1.423 1.00 0.00 N ATOM 262 CA GLY A 16 -7.069 5.692 2.011 1.00 0.00 C ATOM 263 C GLY A 16 -5.927 5.430 1.058 1.00 0.00 C ATOM 264 O GLY A 16 -6.016 4.523 0.221 1.00 0.00 O ATOM 0 H GLY A 16 -8.620 4.349 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.093 6.750 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.910 5.138 2.936 1.00 0.00 H new ATOM 268 N ARG A 17 -4.865 6.218 1.175 1.00 0.00 N ATOM 269 CA ARG A 17 -3.735 6.123 0.284 1.00 0.00 C ATOM 270 C ARG A 17 -2.996 4.799 0.449 1.00 0.00 C ATOM 271 O ARG A 17 -2.994 4.199 1.529 1.00 0.00 O ATOM 272 CB ARG A 17 -2.791 7.298 0.525 1.00 0.00 C ATOM 273 CG ARG A 17 -2.210 7.389 1.931 1.00 0.00 C ATOM 274 CD ARG A 17 -1.216 8.537 2.020 1.00 0.00 C ATOM 275 NE ARG A 17 -0.685 8.730 3.370 1.00 0.00 N ATOM 276 CZ ARG A 17 -0.066 9.844 3.767 1.00 0.00 C ATOM 277 NH1 ARG A 17 0.123 10.847 2.911 1.00 0.00 N ATOM 278 NH2 ARG A 17 0.367 9.954 5.015 1.00 0.00 N ATOM 0 H ARG A 17 -4.771 6.937 1.892 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.105 6.161 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.968 7.234 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.326 8.223 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.012 7.537 2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.717 6.452 2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.390 8.349 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.701 9.456 1.691 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.794 7.972 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.206 10.765 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.596 11.697 3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.227 9.187 5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.840 10.806 5.318 1.00 0.00 H new ATOM 292 N LEU A 18 -2.383 4.353 -0.636 1.00 0.00 N ATOM 293 CA LEU A 18 -1.657 3.095 -0.654 1.00 0.00 C ATOM 294 C LEU A 18 -0.183 3.340 -0.949 1.00 0.00 C ATOM 295 O LEU A 18 0.160 4.189 -1.772 1.00 0.00 O ATOM 296 CB LEU A 18 -2.244 2.164 -1.719 1.00 0.00 C ATOM 297 CG LEU A 18 -3.749 1.910 -1.613 1.00 0.00 C ATOM 298 CD1 LEU A 18 -4.232 1.064 -2.778 1.00 0.00 C ATOM 299 CD2 LEU A 18 -4.084 1.236 -0.297 1.00 0.00 C ATOM 0 H LEU A 18 -2.375 4.852 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.752 2.627 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.032 2.585 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.727 1.206 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.261 2.872 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.305 0.894 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.027 1.583 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.711 0.106 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.159 1.063 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.560 0.283 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.775 1.877 0.529 1.00 0.00 H new ATOM 311 N GLU A 19 0.678 2.614 -0.260 1.00 0.00 N ATOM 312 CA GLU A 19 2.105 2.663 -0.515 1.00 0.00 C ATOM 313 C GLU A 19 2.481 1.470 -1.388 1.00 0.00 C ATOM 314 O GLU A 19 2.191 0.324 -1.036 1.00 0.00 O ATOM 315 CB GLU A 19 2.861 2.626 0.819 1.00 0.00 C ATOM 316 CG GLU A 19 4.265 3.213 0.772 1.00 0.00 C ATOM 317 CD GLU A 19 5.226 2.419 -0.090 1.00 0.00 C ATOM 318 OE1 GLU A 19 5.653 1.324 0.339 1.00 0.00 O ATOM 319 OE2 GLU A 19 5.563 2.892 -1.196 1.00 0.00 O ATOM 0 H GLU A 19 0.409 1.976 0.489 1.00 0.00 H new ATOM 0 HA GLU A 19 2.373 3.584 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.280 3.168 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.926 1.591 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.210 4.234 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.661 3.269 1.786 1.00 0.00 H new ATOM 326 N TYR A 20 3.094 1.736 -2.533 1.00 0.00 N ATOM 327 CA TYR A 20 3.483 0.670 -3.443 1.00 0.00 C ATOM 328 C TYR A 20 4.806 0.072 -2.991 1.00 0.00 C ATOM 329 O TYR A 20 5.884 0.504 -3.404 1.00 0.00 O ATOM 330 CB TYR A 20 3.581 1.185 -4.883 1.00 0.00 C ATOM 331 CG TYR A 20 3.889 0.105 -5.897 1.00 0.00 C ATOM 332 CD1 TYR A 20 3.015 -0.957 -6.098 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.054 0.149 -6.655 1.00 0.00 C ATOM 334 CE1 TYR A 20 3.293 -1.945 -7.025 1.00 0.00 C ATOM 335 CE2 TYR A 20 5.338 -0.834 -7.583 1.00 0.00 C ATOM 336 CZ TYR A 20 4.456 -1.877 -7.764 1.00 0.00 C ATOM 337 OH TYR A 20 4.734 -2.855 -8.689 1.00 0.00 O ATOM 0 H TYR A 20 3.331 2.675 -2.852 1.00 0.00 H new ATOM 0 HA TYR A 20 2.718 -0.106 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.640 1.666 -5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.356 1.950 -4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.104 -1.012 -5.521 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.748 0.965 -6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.604 -2.764 -7.169 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.247 -0.785 -8.164 1.00 0.00 H new ATOM 0 HH TYR A 20 5.590 -2.659 -9.125 1.00 0.00 H new ATOM 347 N HIS A 21 4.712 -0.924 -2.128 1.00 0.00 N ATOM 348 CA HIS A 21 5.883 -1.489 -1.494 1.00 0.00 C ATOM 349 C HIS A 21 6.551 -2.500 -2.411 1.00 0.00 C ATOM 350 O HIS A 21 6.101 -3.641 -2.534 1.00 0.00 O ATOM 351 CB HIS A 21 5.507 -2.142 -0.161 1.00 0.00 C ATOM 352 CG HIS A 21 6.520 -1.921 0.919 1.00 0.00 C ATOM 353 ND1 HIS A 21 6.764 -0.684 1.466 1.00 0.00 N ATOM 354 CD2 HIS A 21 7.341 -2.784 1.564 1.00 0.00 C ATOM 355 CE1 HIS A 21 7.688 -0.788 2.399 1.00 0.00 C ATOM 356 NE2 HIS A 21 8.058 -2.053 2.481 1.00 0.00 N ATOM 0 H HIS A 21 3.831 -1.358 -1.851 1.00 0.00 H new ATOM 0 HA HIS A 21 6.590 -0.683 -1.297 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.545 -1.749 0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.378 -3.214 -0.314 1.00 0.00 H new ATOM 0 HD1 HIS A 21 6.300 0.182 1.191 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.418 -3.847 1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 21 8.077 0.024 2.996 1.00 0.00 H new ATOM 365 N GLN A 22 7.618 -2.061 -3.070 1.00 0.00 N ATOM 366 CA GLN A 22 8.398 -2.924 -3.949 1.00 0.00 C ATOM 367 C GLN A 22 8.998 -4.083 -3.146 1.00 0.00 C ATOM 368 O GLN A 22 8.917 -4.088 -1.913 1.00 0.00 O ATOM 369 CB GLN A 22 9.493 -2.100 -4.642 1.00 0.00 C ATOM 370 CG GLN A 22 10.172 -2.812 -5.800 1.00 0.00 C ATOM 371 CD GLN A 22 11.090 -1.895 -6.581 1.00 0.00 C ATOM 372 OE1 GLN A 22 12.279 -1.778 -6.282 1.00 0.00 O ATOM 373 NE2 GLN A 22 10.543 -1.245 -7.594 1.00 0.00 N ATOM 0 H GLN A 22 7.965 -1.104 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 22 7.750 -3.347 -4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.056 -1.171 -5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.248 -1.828 -3.905 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.745 -3.657 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.413 -3.218 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.553 -1.372 -7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.111 -0.617 -8.163 1.00 0.00 H new ATOM 382 N ASP A 23 9.594 -5.053 -3.848 1.00 0.00 N ATOM 383 CA ASP A 23 10.110 -6.292 -3.245 1.00 0.00 C ATOM 384 C ASP A 23 8.968 -7.259 -2.934 1.00 0.00 C ATOM 385 O ASP A 23 9.056 -8.449 -3.235 1.00 0.00 O ATOM 386 CB ASP A 23 10.950 -6.005 -1.987 1.00 0.00 C ATOM 387 CG ASP A 23 11.159 -7.228 -1.114 1.00 0.00 C ATOM 388 OD1 ASP A 23 12.034 -8.063 -1.434 1.00 0.00 O ATOM 389 OD2 ASP A 23 10.456 -7.357 -0.089 1.00 0.00 O ATOM 0 H ASP A 23 9.734 -5.002 -4.857 1.00 0.00 H new ATOM 0 HA ASP A 23 10.769 -6.764 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.921 -5.612 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.460 -5.228 -1.401 1.00 0.00 H new ATOM 394 N LYS A 24 7.892 -6.747 -2.351 1.00 0.00 N ATOM 395 CA LYS A 24 6.708 -7.553 -2.104 1.00 0.00 C ATOM 396 C LYS A 24 5.653 -7.298 -3.173 1.00 0.00 C ATOM 397 O LYS A 24 4.747 -8.106 -3.366 1.00 0.00 O ATOM 398 CB LYS A 24 6.149 -7.248 -0.717 1.00 0.00 C ATOM 399 CG LYS A 24 7.064 -7.694 0.408 1.00 0.00 C ATOM 400 CD LYS A 24 7.158 -9.211 0.476 1.00 0.00 C ATOM 401 CE LYS A 24 8.062 -9.667 1.607 1.00 0.00 C ATOM 402 NZ LYS A 24 9.490 -9.342 1.355 1.00 0.00 N ATOM 0 H LYS A 24 7.817 -5.778 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 24 6.987 -8.606 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.974 -6.176 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.182 -7.739 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.058 -7.272 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.692 -7.308 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.162 -9.632 0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.538 -9.595 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.743 -9.195 2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.955 -10.743 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.885 -8.849 2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.022 -10.220 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.564 -8.729 0.518 1.00 0.00 H new ATOM 416 N GLN A 25 5.806 -6.175 -3.879 1.00 0.00 N ATOM 417 CA GLN A 25 4.870 -5.751 -4.921 1.00 0.00 C ATOM 418 C GLN A 25 3.447 -5.640 -4.371 1.00 0.00 C ATOM 419 O GLN A 25 2.468 -5.878 -5.082 1.00 0.00 O ATOM 420 CB GLN A 25 4.923 -6.726 -6.100 1.00 0.00 C ATOM 421 CG GLN A 25 6.339 -7.016 -6.572 1.00 0.00 C ATOM 422 CD GLN A 25 7.076 -5.777 -7.039 1.00 0.00 C ATOM 423 OE1 GLN A 25 7.736 -5.096 -6.252 1.00 0.00 O ATOM 424 NE2 GLN A 25 6.992 -5.487 -8.329 1.00 0.00 N ATOM 0 H GLN A 25 6.586 -5.532 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 25 5.167 -4.762 -5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.444 -7.662 -5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.347 -6.315 -6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.899 -7.480 -5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.303 -7.739 -7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.435 -6.075 -8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.484 -4.675 -8.702 1.00 0.00 H new ATOM 433 N GLU A 26 3.345 -5.254 -3.106 1.00 0.00 N ATOM 434 CA GLU A 26 2.057 -5.126 -2.451 1.00 0.00 C ATOM 435 C GLU A 26 1.720 -3.663 -2.199 1.00 0.00 C ATOM 436 O GLU A 26 2.610 -2.818 -2.092 1.00 0.00 O ATOM 437 CB GLU A 26 2.056 -5.878 -1.121 1.00 0.00 C ATOM 438 CG GLU A 26 2.330 -7.365 -1.243 1.00 0.00 C ATOM 439 CD GLU A 26 2.192 -8.079 0.086 1.00 0.00 C ATOM 440 OE1 GLU A 26 3.008 -7.811 0.997 1.00 0.00 O ATOM 441 OE2 GLU A 26 1.258 -8.894 0.229 1.00 0.00 O ATOM 0 H GLU A 26 4.143 -5.024 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 26 1.304 -5.556 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.806 -5.435 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.089 -5.737 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.639 -7.803 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.336 -7.517 -1.633 1.00 0.00 H new ATOM 448 N LEU A 27 0.434 -3.376 -2.110 1.00 0.00 N ATOM 449 CA LEU A 27 -0.032 -2.053 -1.740 1.00 0.00 C ATOM 450 C LEU A 27 -0.315 -2.012 -0.249 1.00 0.00 C ATOM 451 O LEU A 27 -1.305 -2.572 0.223 1.00 0.00 O ATOM 452 CB LEU A 27 -1.286 -1.675 -2.528 1.00 0.00 C ATOM 453 CG LEU A 27 -1.071 -1.467 -4.029 1.00 0.00 C ATOM 454 CD1 LEU A 27 -2.384 -1.132 -4.719 1.00 0.00 C ATOM 455 CD2 LEU A 27 -0.052 -0.364 -4.271 1.00 0.00 C ATOM 0 H LEU A 27 -0.312 -4.048 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 27 0.746 -1.329 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.033 -2.456 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.700 -0.759 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.688 -2.396 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.208 -0.988 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.090 -1.950 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.796 -0.217 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.090 -0.228 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.412 0.567 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.897 -0.639 -3.811 1.00 0.00 H new ATOM 467 N TRP A 28 0.567 -1.355 0.481 1.00 0.00 N ATOM 468 CA TRP A 28 0.484 -1.305 1.930 1.00 0.00 C ATOM 469 C TRP A 28 -0.257 -0.055 2.380 1.00 0.00 C ATOM 470 O TRP A 28 0.016 1.048 1.903 1.00 0.00 O ATOM 471 CB TRP A 28 1.888 -1.329 2.543 1.00 0.00 C ATOM 472 CG TRP A 28 2.576 -2.663 2.461 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.323 -3.675 1.579 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.640 -3.123 3.301 1.00 0.00 C ATOM 475 NE1 TRP A 28 3.158 -4.739 1.829 1.00 0.00 N ATOM 476 CE2 TRP A 28 3.975 -4.422 2.879 1.00 0.00 C ATOM 477 CE3 TRP A 28 4.338 -2.563 4.374 1.00 0.00 C ATOM 478 CZ2 TRP A 28 4.981 -5.165 3.487 1.00 0.00 C ATOM 479 CZ3 TRP A 28 5.335 -3.301 4.978 1.00 0.00 C ATOM 480 CH2 TRP A 28 5.647 -4.590 4.533 1.00 0.00 C ATOM 0 H TRP A 28 1.358 -0.843 0.089 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.068 -2.180 2.272 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.504 -0.584 2.040 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.820 -1.032 3.590 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.576 -3.644 0.799 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.167 -5.620 1.315 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.101 -1.569 4.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.227 -6.160 3.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.883 -2.877 5.807 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.432 -5.143 5.027 1.00 0.00 H new ATOM 491 N SER A 29 -1.213 -0.229 3.275 1.00 0.00 N ATOM 492 CA SER A 29 -1.967 0.895 3.792 1.00 0.00 C ATOM 493 C SER A 29 -2.182 0.755 5.293 1.00 0.00 C ATOM 494 O SER A 29 -2.706 -0.254 5.762 1.00 0.00 O ATOM 495 CB SER A 29 -3.315 0.996 3.076 1.00 0.00 C ATOM 496 OG SER A 29 -3.969 2.219 3.374 1.00 0.00 O ATOM 0 H SER A 29 -1.484 -1.135 3.657 1.00 0.00 H new ATOM 0 HA SER A 29 -1.397 1.806 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.164 0.915 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.950 0.161 3.372 1.00 0.00 H new ATOM 0 HG SER A 29 -3.667 2.912 2.750 1.00 0.00 H new ATOM 502 N ARG A 30 -1.786 1.771 6.044 1.00 0.00 N ATOM 503 CA ARG A 30 -2.031 1.792 7.476 1.00 0.00 C ATOM 504 C ARG A 30 -3.462 2.254 7.711 1.00 0.00 C ATOM 505 O ARG A 30 -4.038 2.030 8.772 1.00 0.00 O ATOM 506 CB ARG A 30 -1.027 2.714 8.182 1.00 0.00 C ATOM 507 CG ARG A 30 -0.815 2.408 9.665 1.00 0.00 C ATOM 508 CD ARG A 30 -1.938 2.938 10.547 1.00 0.00 C ATOM 509 NE ARG A 30 -1.933 4.395 10.637 1.00 0.00 N ATOM 510 CZ ARG A 30 -2.984 5.166 10.357 1.00 0.00 C ATOM 511 NH1 ARG A 30 -4.116 4.620 9.916 1.00 0.00 N ATOM 512 NH2 ARG A 30 -2.901 6.482 10.511 1.00 0.00 N ATOM 0 H ARG A 30 -1.295 2.590 5.686 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.899 0.793 7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.068 2.645 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.368 3.745 8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.732 1.330 9.800 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.130 2.843 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.897 2.604 10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.842 2.514 11.547 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.071 4.852 10.933 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.180 3.610 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.919 5.212 9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.033 6.903 10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.705 7.072 10.297 1.00 0.00 H new ATOM 526 N GLN A 31 -4.036 2.883 6.687 1.00 0.00 N ATOM 527 CA GLN A 31 -5.414 3.337 6.726 1.00 0.00 C ATOM 528 C GLN A 31 -6.362 2.171 6.993 1.00 0.00 C ATOM 529 O GLN A 31 -7.256 2.265 7.830 1.00 0.00 O ATOM 530 CB GLN A 31 -5.767 3.998 5.399 1.00 0.00 C ATOM 531 CG GLN A 31 -4.890 5.193 5.044 1.00 0.00 C ATOM 532 CD GLN A 31 -5.042 6.349 6.013 1.00 0.00 C ATOM 533 OE1 GLN A 31 -5.899 7.217 5.833 1.00 0.00 O ATOM 534 NE2 GLN A 31 -4.198 6.382 7.030 1.00 0.00 N ATOM 0 H GLN A 31 -3.555 3.089 5.811 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.522 4.058 7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.690 3.256 4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.807 4.322 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.847 4.878 5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.139 5.534 4.039 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.504 5.643 7.141 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.241 7.147 7.704 1.00 0.00 H new ATOM 543 N ALA A 32 -6.146 1.069 6.285 1.00 0.00 N ATOM 544 CA ALA A 32 -6.956 -0.127 6.470 1.00 0.00 C ATOM 545 C ALA A 32 -6.191 -1.169 7.277 1.00 0.00 C ATOM 546 O ALA A 32 -6.745 -2.197 7.668 1.00 0.00 O ATOM 547 CB ALA A 32 -7.377 -0.698 5.124 1.00 0.00 C ATOM 0 H ALA A 32 -5.417 0.980 5.578 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.854 0.146 7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.982 -1.591 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.961 0.045 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.490 -0.957 4.545 1.00 0.00 H new ATOM 553 N LYS A 33 -4.910 -0.881 7.517 1.00 0.00 N ATOM 554 CA LYS A 33 -4.016 -1.770 8.265 1.00 0.00 C ATOM 555 C LYS A 33 -3.797 -3.077 7.514 1.00 0.00 C ATOM 556 O LYS A 33 -3.449 -4.101 8.105 1.00 0.00 O ATOM 557 CB LYS A 33 -4.568 -2.043 9.668 1.00 0.00 C ATOM 558 CG LYS A 33 -4.726 -0.792 10.515 1.00 0.00 C ATOM 559 CD LYS A 33 -5.360 -1.105 11.858 1.00 0.00 C ATOM 560 CE LYS A 33 -5.567 0.158 12.673 1.00 0.00 C ATOM 561 NZ LYS A 33 -6.227 -0.118 13.975 1.00 0.00 N ATOM 0 H LYS A 33 -4.461 -0.022 7.198 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.053 -1.269 8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.536 -2.535 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.903 -2.738 10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.750 -0.331 10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.340 -0.066 9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.317 -1.603 11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.725 -1.798 12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.604 0.637 12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.173 0.862 12.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.348 0.773 14.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.158 -0.551 13.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.637 -0.769 14.532 1.00 0.00 H new ATOM 575 N LEU A 34 -3.964 -3.021 6.203 1.00 0.00 N ATOM 576 CA LEU A 34 -3.855 -4.206 5.372 1.00 0.00 C ATOM 577 C LEU A 34 -2.870 -3.983 4.233 1.00 0.00 C ATOM 578 O LEU A 34 -2.349 -2.879 4.040 1.00 0.00 O ATOM 579 CB LEU A 34 -5.220 -4.581 4.788 1.00 0.00 C ATOM 580 CG LEU A 34 -6.337 -4.833 5.805 1.00 0.00 C ATOM 581 CD1 LEU A 34 -7.662 -5.050 5.096 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.008 -6.032 6.680 1.00 0.00 C ATOM 0 H LEU A 34 -4.176 -2.165 5.691 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.494 -5.018 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.539 -3.782 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.099 -5.478 4.180 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.421 -3.953 6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.445 -5.228 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.910 -4.165 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.584 -5.913 4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.815 -6.193 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.895 -6.918 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.078 -5.846 7.218 1.00 0.00 H new ATOM 594 N ALA A 35 -2.633 -5.041 3.485 1.00 0.00 N ATOM 595 CA ALA A 35 -1.779 -5.001 2.314 1.00 0.00 C ATOM 596 C ALA A 35 -2.418 -5.808 1.192 1.00 0.00 C ATOM 597 O ALA A 35 -2.884 -6.930 1.413 1.00 0.00 O ATOM 598 CB ALA A 35 -0.402 -5.547 2.648 1.00 0.00 C ATOM 0 H ALA A 35 -3.031 -5.961 3.674 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.664 -3.968 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.229 -5.511 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.047 -4.944 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.492 -6.579 2.987 1.00 0.00 H new ATOM 604 N TYR A 36 -2.467 -5.233 0.000 1.00 0.00 N ATOM 605 CA TYR A 36 -3.087 -5.903 -1.132 1.00 0.00 C ATOM 606 C TYR A 36 -2.020 -6.331 -2.134 1.00 0.00 C ATOM 607 O TYR A 36 -1.062 -5.600 -2.369 1.00 0.00 O ATOM 608 CB TYR A 36 -4.088 -4.968 -1.819 1.00 0.00 C ATOM 609 CG TYR A 36 -5.045 -4.287 -0.867 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.190 -4.932 -0.415 1.00 0.00 C ATOM 611 CD2 TYR A 36 -4.798 -2.996 -0.418 1.00 0.00 C ATOM 612 CE1 TYR A 36 -7.060 -4.308 0.458 1.00 0.00 C ATOM 613 CE2 TYR A 36 -5.661 -2.367 0.454 1.00 0.00 C ATOM 614 CZ TYR A 36 -6.790 -3.026 0.888 1.00 0.00 C ATOM 615 OH TYR A 36 -7.651 -2.400 1.757 1.00 0.00 O ATOM 0 H TYR A 36 -2.087 -4.309 -0.208 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.614 -6.784 -0.767 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.538 -4.207 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.662 -5.539 -2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.403 -5.936 -0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.915 -2.476 -0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.946 -4.821 0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.453 -1.363 0.795 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.314 -1.503 1.961 1.00 0.00 H new ATOM 625 N PRO A 37 -2.177 -7.509 -2.748 1.00 0.00 N ATOM 626 CA PRO A 37 -1.221 -8.016 -3.730 1.00 0.00 C ATOM 627 C PRO A 37 -1.434 -7.435 -5.127 1.00 0.00 C ATOM 628 O PRO A 37 -2.563 -7.329 -5.614 1.00 0.00 O ATOM 629 CB PRO A 37 -1.488 -9.521 -3.725 1.00 0.00 C ATOM 630 CG PRO A 37 -2.928 -9.655 -3.362 1.00 0.00 C ATOM 631 CD PRO A 37 -3.277 -8.459 -2.507 1.00 0.00 C ATOM 0 HA PRO A 37 -0.196 -7.744 -3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.284 -9.961 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.850 -10.033 -3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.551 -9.686 -4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.105 -10.583 -2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.240 -8.034 -2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.346 -8.729 -1.453 1.00 0.00 H new ATOM 639 N ILE A 38 -0.341 -7.045 -5.762 1.00 0.00 N ATOM 640 CA ILE A 38 -0.385 -6.549 -7.127 1.00 0.00 C ATOM 641 C ILE A 38 0.301 -7.534 -8.059 1.00 0.00 C ATOM 642 O ILE A 38 1.457 -7.900 -7.844 1.00 0.00 O ATOM 643 CB ILE A 38 0.299 -5.170 -7.255 1.00 0.00 C ATOM 644 CG1 ILE A 38 -0.409 -4.135 -6.380 1.00 0.00 C ATOM 645 CG2 ILE A 38 0.322 -4.707 -8.705 1.00 0.00 C ATOM 646 CD1 ILE A 38 -1.877 -3.979 -6.697 1.00 0.00 C ATOM 0 H ILE A 38 0.592 -7.063 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.434 -6.439 -7.403 1.00 0.00 H new ATOM 0 HB ILE A 38 1.328 -5.272 -6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.300 -4.420 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.085 -3.171 -6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.809 -3.734 -8.768 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.873 -5.428 -9.309 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.699 -4.627 -9.078 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.314 -3.229 -6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.994 -3.663 -7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.385 -4.932 -6.549 1.00 0.00 H new ATOM 658 N LYS A 39 -0.404 -7.969 -9.090 1.00 0.00 N ATOM 659 CA LYS A 39 0.172 -8.904 -10.041 1.00 0.00 C ATOM 660 C LYS A 39 0.744 -8.158 -11.243 1.00 0.00 C ATOM 661 O LYS A 39 0.126 -8.102 -12.306 1.00 0.00 O ATOM 662 CB LYS A 39 -0.869 -9.936 -10.488 1.00 0.00 C ATOM 663 CG LYS A 39 -0.274 -11.106 -11.255 1.00 0.00 C ATOM 664 CD LYS A 39 -1.324 -12.151 -11.593 1.00 0.00 C ATOM 665 CE LYS A 39 -0.710 -13.350 -12.302 1.00 0.00 C ATOM 666 NZ LYS A 39 -0.063 -12.967 -13.586 1.00 0.00 N ATOM 0 H LYS A 39 -1.366 -7.693 -9.289 1.00 0.00 H new ATOM 0 HA LYS A 39 0.985 -9.437 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.392 -10.316 -9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.613 -9.442 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.186 -10.742 -12.174 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.518 -11.564 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.818 -12.481 -10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.091 -11.706 -12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.027 -13.818 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.484 -14.093 -12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.176 -13.825 -14.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.717 -12.380 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.805 -12.428 -13.390 1.00 0.00 H new ATOM 680 N ASP A 40 1.905 -7.536 -11.031 1.00 0.00 N ATOM 681 CA ASP A 40 2.645 -6.826 -12.081 1.00 0.00 C ATOM 682 C ASP A 40 1.764 -5.807 -12.807 1.00 0.00 C ATOM 683 O ASP A 40 1.836 -5.654 -14.025 1.00 0.00 O ATOM 684 CB ASP A 40 3.240 -7.829 -13.076 1.00 0.00 C ATOM 685 CG ASP A 40 4.450 -7.277 -13.805 1.00 0.00 C ATOM 686 OD1 ASP A 40 5.517 -7.140 -13.167 1.00 0.00 O ATOM 687 OD2 ASP A 40 4.347 -6.981 -15.015 1.00 0.00 O ATOM 0 H ASP A 40 2.363 -7.509 -10.120 1.00 0.00 H new ATOM 0 HA ASP A 40 3.454 -6.274 -11.604 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.523 -8.738 -12.545 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.478 -8.109 -13.804 1.00 0.00 H new ATOM 692 N GLY A 41 0.940 -5.102 -12.043 1.00 0.00 N ATOM 693 CA GLY A 41 0.067 -4.097 -12.622 1.00 0.00 C ATOM 694 C GLY A 41 -1.393 -4.497 -12.557 1.00 0.00 C ATOM 695 O GLY A 41 -2.274 -3.726 -12.938 1.00 0.00 O ATOM 0 H GLY A 41 0.860 -5.208 -11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.206 -3.152 -12.097 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.349 -3.929 -13.661 1.00 0.00 H new ATOM 699 N ILE A 42 -1.641 -5.702 -12.064 1.00 0.00 N ATOM 700 CA ILE A 42 -2.992 -6.232 -11.934 1.00 0.00 C ATOM 701 C ILE A 42 -3.416 -6.251 -10.465 1.00 0.00 C ATOM 702 O ILE A 42 -3.120 -7.199 -9.736 1.00 0.00 O ATOM 703 CB ILE A 42 -3.124 -7.651 -12.535 1.00 0.00 C ATOM 704 CG1 ILE A 42 -2.671 -7.666 -14.003 1.00 0.00 C ATOM 705 CG2 ILE A 42 -4.561 -8.142 -12.422 1.00 0.00 C ATOM 706 CD1 ILE A 42 -3.481 -6.762 -14.908 1.00 0.00 C ATOM 0 H ILE A 42 -0.913 -6.340 -11.743 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.651 -5.571 -12.498 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.478 -8.322 -11.970 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.624 -7.368 -14.052 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.730 -8.687 -14.380 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.639 -9.142 -12.849 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.854 -8.172 -11.372 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.221 -7.464 -12.963 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.099 -6.830 -15.926 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.526 -7.072 -14.891 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.403 -5.733 -14.559 1.00 0.00 H new ATOM 718 N PRO A 43 -4.032 -5.160 -9.992 1.00 0.00 N ATOM 719 CA PRO A 43 -4.432 -5.020 -8.590 1.00 0.00 C ATOM 720 C PRO A 43 -5.480 -6.047 -8.176 1.00 0.00 C ATOM 721 O PRO A 43 -6.556 -6.129 -8.771 1.00 0.00 O ATOM 722 CB PRO A 43 -5.020 -3.604 -8.518 1.00 0.00 C ATOM 723 CG PRO A 43 -4.538 -2.916 -9.749 1.00 0.00 C ATOM 724 CD PRO A 43 -4.422 -3.988 -10.786 1.00 0.00 C ATOM 0 HA PRO A 43 -3.591 -5.182 -7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.109 -3.631 -8.483 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.686 -3.084 -7.620 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.235 -2.140 -10.063 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.577 -2.431 -9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.364 -4.149 -11.310 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.675 -3.743 -11.541 1.00 0.00 H new ATOM 732 N TYR A 44 -5.162 -6.829 -7.157 1.00 0.00 N ATOM 733 CA TYR A 44 -6.101 -7.799 -6.624 1.00 0.00 C ATOM 734 C TYR A 44 -6.456 -7.473 -5.181 1.00 0.00 C ATOM 735 O TYR A 44 -5.875 -8.023 -4.244 1.00 0.00 O ATOM 736 CB TYR A 44 -5.549 -9.224 -6.716 1.00 0.00 C ATOM 737 CG TYR A 44 -5.702 -9.858 -8.083 1.00 0.00 C ATOM 738 CD1 TYR A 44 -6.961 -10.051 -8.639 1.00 0.00 C ATOM 739 CD2 TYR A 44 -4.594 -10.279 -8.808 1.00 0.00 C ATOM 740 CE1 TYR A 44 -7.111 -10.642 -9.878 1.00 0.00 C ATOM 741 CE2 TYR A 44 -4.738 -10.870 -10.052 1.00 0.00 C ATOM 742 CZ TYR A 44 -5.998 -11.050 -10.580 1.00 0.00 C ATOM 743 OH TYR A 44 -6.152 -11.646 -11.816 1.00 0.00 O ATOM 0 H TYR A 44 -4.259 -6.810 -6.683 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.004 -7.743 -7.232 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.492 -9.211 -6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.056 -9.847 -5.979 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.837 -9.733 -8.093 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.605 -10.143 -8.395 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.097 -10.784 -10.295 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.867 -11.188 -10.606 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.272 -11.874 -12.181 1.00 0.00 H new ATOM 753 N MET A 45 -7.392 -6.554 -5.006 1.00 0.00 N ATOM 754 CA MET A 45 -7.900 -6.218 -3.680 1.00 0.00 C ATOM 755 C MET A 45 -8.876 -7.290 -3.205 1.00 0.00 C ATOM 756 O MET A 45 -10.043 -7.008 -2.924 1.00 0.00 O ATOM 757 CB MET A 45 -8.600 -4.853 -3.680 1.00 0.00 C ATOM 758 CG MET A 45 -7.665 -3.663 -3.834 1.00 0.00 C ATOM 759 SD MET A 45 -6.947 -3.525 -5.481 1.00 0.00 S ATOM 760 CE MET A 45 -5.973 -2.038 -5.285 1.00 0.00 C ATOM 0 H MET A 45 -7.818 -6.024 -5.766 1.00 0.00 H new ATOM 0 HA MET A 45 -7.049 -6.169 -3.000 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.329 -4.833 -4.490 1.00 0.00 H new ATOM 0 HB3 MET A 45 -9.155 -4.744 -2.749 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.213 -2.748 -3.607 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.862 -3.744 -3.101 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.422 -1.230 -5.863 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.944 -1.758 -4.232 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.958 -2.218 -5.641 1.00 0.00 H new ATOM 770 N LEU A 46 -8.390 -8.520 -3.110 1.00 0.00 N ATOM 771 CA LEU A 46 -9.226 -9.641 -2.752 1.00 0.00 C ATOM 772 C LEU A 46 -9.260 -9.796 -1.246 1.00 0.00 C ATOM 773 O LEU A 46 -8.221 -9.901 -0.605 1.00 0.00 O ATOM 774 CB LEU A 46 -8.707 -10.917 -3.416 1.00 0.00 C ATOM 775 CG LEU A 46 -8.727 -10.906 -4.948 1.00 0.00 C ATOM 776 CD1 LEU A 46 -8.128 -12.194 -5.494 1.00 0.00 C ATOM 777 CD2 LEU A 46 -10.149 -10.717 -5.460 1.00 0.00 C ATOM 0 H LEU A 46 -7.413 -8.760 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.241 -9.460 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.684 -11.091 -3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.304 -11.759 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.123 -10.069 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.149 -12.172 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.097 -12.289 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.708 -13.045 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.146 -10.711 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.776 -11.534 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.545 -9.770 -5.094 1.00 0.00 H new ATOM 789 N GLU A 47 -10.461 -9.803 -0.698 1.00 0.00 N ATOM 790 CA GLU A 47 -10.665 -9.903 0.742 1.00 0.00 C ATOM 791 C GLU A 47 -9.981 -11.146 1.295 1.00 0.00 C ATOM 792 O GLU A 47 -9.414 -11.131 2.385 1.00 0.00 O ATOM 793 CB GLU A 47 -12.163 -9.957 1.024 1.00 0.00 C ATOM 794 CG GLU A 47 -12.533 -9.958 2.492 1.00 0.00 C ATOM 795 CD GLU A 47 -14.028 -9.972 2.699 1.00 0.00 C ATOM 796 OE1 GLU A 47 -14.699 -10.882 2.159 1.00 0.00 O ATOM 797 OE2 GLU A 47 -14.545 -9.076 3.397 1.00 0.00 O ATOM 0 H GLU A 47 -11.325 -9.740 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.228 -9.032 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.640 -9.102 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.574 -10.853 0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.092 -10.829 2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.109 -9.077 2.973 1.00 0.00 H new ATOM 804 N ASN A 48 -10.029 -12.207 0.510 1.00 0.00 N ATOM 805 CA ASN A 48 -9.466 -13.491 0.908 1.00 0.00 C ATOM 806 C ASN A 48 -7.938 -13.460 0.948 1.00 0.00 C ATOM 807 O ASN A 48 -7.313 -14.188 1.718 1.00 0.00 O ATOM 808 CB ASN A 48 -9.931 -14.580 -0.060 1.00 0.00 C ATOM 809 CG ASN A 48 -9.608 -15.983 0.419 1.00 0.00 C ATOM 810 OD1 ASN A 48 -9.265 -16.855 -0.381 1.00 0.00 O ATOM 811 ND2 ASN A 48 -9.756 -16.226 1.713 1.00 0.00 N ATOM 0 H ASN A 48 -10.456 -12.207 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.820 -13.708 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.008 -14.492 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.463 -14.418 -1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.584 -17.162 2.079 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.042 -15.477 2.343 1.00 0.00 H new ATOM 818 N GLU A 49 -7.339 -12.617 0.124 1.00 0.00 N ATOM 819 CA GLU A 49 -5.889 -12.597 -0.008 1.00 0.00 C ATOM 820 C GLU A 49 -5.261 -11.352 0.609 1.00 0.00 C ATOM 821 O GLU A 49 -4.051 -11.313 0.819 1.00 0.00 O ATOM 822 CB GLU A 49 -5.484 -12.731 -1.473 1.00 0.00 C ATOM 823 CG GLU A 49 -5.798 -14.098 -2.051 1.00 0.00 C ATOM 824 CD GLU A 49 -5.062 -14.372 -3.344 1.00 0.00 C ATOM 825 OE1 GLU A 49 -3.811 -14.369 -3.329 1.00 0.00 O ATOM 826 OE2 GLU A 49 -5.725 -14.624 -4.372 1.00 0.00 O ATOM 0 H GLU A 49 -7.829 -11.941 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.508 -13.453 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.998 -11.968 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.415 -12.539 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.538 -14.864 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.871 -14.176 -2.226 1.00 0.00 H new ATOM 833 N ALA A 50 -6.070 -10.331 0.871 1.00 0.00 N ATOM 834 CA ALA A 50 -5.601 -9.162 1.604 1.00 0.00 C ATOM 835 C ALA A 50 -5.078 -9.581 2.972 1.00 0.00 C ATOM 836 O ALA A 50 -5.781 -10.242 3.738 1.00 0.00 O ATOM 837 CB ALA A 50 -6.720 -8.143 1.754 1.00 0.00 C ATOM 0 H ALA A 50 -7.049 -10.290 0.588 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.789 -8.699 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.352 -7.277 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.061 -7.829 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.551 -8.592 2.299 1.00 0.00 H new ATOM 843 N ARG A 51 -3.839 -9.221 3.264 1.00 0.00 N ATOM 844 CA ARG A 51 -3.202 -9.606 4.513 1.00 0.00 C ATOM 845 C ARG A 51 -3.076 -8.415 5.454 1.00 0.00 C ATOM 846 O ARG A 51 -2.881 -7.288 5.008 1.00 0.00 O ATOM 847 CB ARG A 51 -1.818 -10.190 4.229 1.00 0.00 C ATOM 848 CG ARG A 51 -0.960 -9.328 3.312 1.00 0.00 C ATOM 849 CD ARG A 51 0.430 -9.913 3.125 1.00 0.00 C ATOM 850 NE ARG A 51 0.396 -11.267 2.561 1.00 0.00 N ATOM 851 CZ ARG A 51 1.465 -11.876 2.043 1.00 0.00 C ATOM 852 NH1 ARG A 51 2.617 -11.227 1.939 1.00 0.00 N ATOM 853 NH2 ARG A 51 1.371 -13.125 1.598 1.00 0.00 N ATOM 0 H ARG A 51 -3.251 -8.659 2.649 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.825 -10.359 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.293 -10.331 5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.936 -11.176 3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.448 -9.232 2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.879 -8.324 3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.009 -9.263 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.944 -9.935 4.086 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.492 -11.770 2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.688 -10.260 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.432 -11.695 1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.481 -13.620 1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.189 -13.588 1.203 1.00 0.00 H new ATOM 867 N PRO A 52 -3.211 -8.648 6.767 1.00 0.00 N ATOM 868 CA PRO A 52 -2.980 -7.615 7.772 1.00 0.00 C ATOM 869 C PRO A 52 -1.494 -7.378 8.009 1.00 0.00 C ATOM 870 O PRO A 52 -0.659 -8.237 7.706 1.00 0.00 O ATOM 871 CB PRO A 52 -3.642 -8.181 9.027 1.00 0.00 C ATOM 872 CG PRO A 52 -3.611 -9.662 8.852 1.00 0.00 C ATOM 873 CD PRO A 52 -3.622 -9.930 7.368 1.00 0.00 C ATOM 0 HA PRO A 52 -3.382 -6.648 7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.104 -7.879 9.926 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.665 -7.818 9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.720 -10.087 9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.472 -10.126 9.334 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.934 -10.733 7.103 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.612 -10.232 7.025 1.00 0.00 H new ATOM 881 N LEU A 53 -1.165 -6.216 8.543 1.00 0.00 N ATOM 882 CA LEU A 53 0.214 -5.856 8.795 1.00 0.00 C ATOM 883 C LEU A 53 0.496 -5.793 10.283 1.00 0.00 C ATOM 884 O LEU A 53 -0.421 -5.694 11.103 1.00 0.00 O ATOM 885 CB LEU A 53 0.516 -4.506 8.159 1.00 0.00 C ATOM 886 CG LEU A 53 0.544 -4.503 6.635 1.00 0.00 C ATOM 887 CD1 LEU A 53 0.683 -3.086 6.106 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.675 -5.380 6.117 1.00 0.00 C ATOM 0 H LEU A 53 -1.842 -5.502 8.812 1.00 0.00 H new ATOM 0 HA LEU A 53 0.854 -6.621 8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.232 -3.788 8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.481 -4.156 8.526 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.400 -4.913 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.701 -3.105 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.162 -2.487 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.610 -2.648 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.678 -5.364 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.628 -5.002 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.531 -6.403 6.465 1.00 0.00 H new ATOM 900 N SER A 54 1.768 -5.851 10.627 1.00 0.00 N ATOM 901 CA SER A 54 2.186 -5.724 12.012 1.00 0.00 C ATOM 902 C SER A 54 2.330 -4.251 12.378 1.00 0.00 C ATOM 903 O SER A 54 2.416 -3.403 11.494 1.00 0.00 O ATOM 904 CB SER A 54 3.504 -6.449 12.227 1.00 0.00 C ATOM 905 OG SER A 54 3.491 -7.725 11.606 1.00 0.00 O ATOM 0 H SER A 54 2.533 -5.986 9.965 1.00 0.00 H new ATOM 0 HA SER A 54 1.429 -6.175 12.654 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.321 -5.852 11.822 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.691 -6.562 13.295 1.00 0.00 H new ATOM 0 HG SER A 54 3.879 -7.656 10.709 1.00 0.00 H new ATOM 911 N GLU A 55 2.358 -3.960 13.672 1.00 0.00 N ATOM 912 CA GLU A 55 2.477 -2.598 14.170 1.00 0.00 C ATOM 913 C GLU A 55 3.672 -1.884 13.564 1.00 0.00 C ATOM 914 O GLU A 55 3.548 -0.779 13.053 1.00 0.00 O ATOM 915 CB GLU A 55 2.651 -2.629 15.678 1.00 0.00 C ATOM 916 CG GLU A 55 1.873 -1.556 16.396 1.00 0.00 C ATOM 917 CD GLU A 55 2.597 -1.060 17.626 1.00 0.00 C ATOM 918 OE1 GLU A 55 2.935 -1.890 18.495 1.00 0.00 O ATOM 919 OE2 GLU A 55 2.851 0.159 17.717 1.00 0.00 O ATOM 0 H GLU A 55 2.299 -4.665 14.407 1.00 0.00 H new ATOM 0 HA GLU A 55 1.571 -2.060 13.892 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.339 -3.604 16.052 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.709 -2.520 15.916 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.696 -0.721 15.718 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.896 -1.946 16.683 1.00 0.00 H new ATOM 926 N GLU A 56 4.829 -2.521 13.648 1.00 0.00 N ATOM 927 CA GLU A 56 6.063 -1.973 13.111 1.00 0.00 C ATOM 928 C GLU A 56 5.896 -1.616 11.636 1.00 0.00 C ATOM 929 O GLU A 56 6.294 -0.539 11.197 1.00 0.00 O ATOM 930 CB GLU A 56 7.159 -3.015 13.305 1.00 0.00 C ATOM 931 CG GLU A 56 8.558 -2.452 13.429 1.00 0.00 C ATOM 932 CD GLU A 56 9.163 -2.053 12.100 1.00 0.00 C ATOM 933 OE1 GLU A 56 9.370 -2.944 11.249 1.00 0.00 O ATOM 934 OE2 GLU A 56 9.460 -0.857 11.916 1.00 0.00 O ATOM 0 H GLU A 56 4.938 -3.433 14.091 1.00 0.00 H new ATOM 0 HA GLU A 56 6.330 -1.054 13.633 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.935 -3.594 14.201 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.135 -3.708 12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.535 -1.582 14.086 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.200 -3.194 13.904 1.00 0.00 H new ATOM 941 N GLU A 57 5.284 -2.524 10.892 1.00 0.00 N ATOM 942 CA GLU A 57 4.989 -2.313 9.489 1.00 0.00 C ATOM 943 C GLU A 57 4.033 -1.140 9.307 1.00 0.00 C ATOM 944 O GLU A 57 4.304 -0.215 8.545 1.00 0.00 O ATOM 945 CB GLU A 57 4.387 -3.590 8.918 1.00 0.00 C ATOM 946 CG GLU A 57 5.342 -4.771 8.980 1.00 0.00 C ATOM 947 CD GLU A 57 4.746 -6.050 8.437 1.00 0.00 C ATOM 948 OE1 GLU A 57 4.821 -6.270 7.216 1.00 0.00 O ATOM 949 OE2 GLU A 57 4.217 -6.851 9.235 1.00 0.00 O ATOM 0 H GLU A 57 4.978 -3.430 11.248 1.00 0.00 H new ATOM 0 HA GLU A 57 5.909 -2.072 8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.478 -3.835 9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.097 -3.417 7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.244 -4.530 8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.646 -4.930 10.015 1.00 0.00 H new ATOM 956 N LEU A 58 2.919 -1.199 10.018 1.00 0.00 N ATOM 957 CA LEU A 58 1.934 -0.121 10.043 1.00 0.00 C ATOM 958 C LEU A 58 2.579 1.231 10.347 1.00 0.00 C ATOM 959 O LEU A 58 2.365 2.213 9.632 1.00 0.00 O ATOM 960 CB LEU A 58 0.882 -0.422 11.107 1.00 0.00 C ATOM 961 CG LEU A 58 0.016 -1.646 10.836 1.00 0.00 C ATOM 962 CD1 LEU A 58 -0.952 -1.882 11.985 1.00 0.00 C ATOM 963 CD2 LEU A 58 -0.739 -1.484 9.528 1.00 0.00 C ATOM 0 H LEU A 58 2.668 -1.999 10.599 1.00 0.00 H new ATOM 0 HA LEU A 58 1.476 -0.064 9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.385 -0.558 12.064 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.232 0.447 11.209 1.00 0.00 H new ATOM 0 HG LEU A 58 0.667 -2.516 10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.562 -2.760 11.773 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.391 -2.043 12.906 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.598 -1.012 12.101 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.352 -2.367 9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.379 -0.603 9.584 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.028 -1.365 8.710 1.00 0.00 H new ATOM 975 N LYS A 59 3.376 1.267 11.406 1.00 0.00 N ATOM 976 CA LYS A 59 3.996 2.491 11.870 1.00 0.00 C ATOM 977 C LYS A 59 5.056 2.990 10.899 1.00 0.00 C ATOM 978 O LYS A 59 5.468 4.147 10.963 1.00 0.00 O ATOM 979 CB LYS A 59 4.619 2.260 13.241 1.00 0.00 C ATOM 980 CG LYS A 59 3.997 3.102 14.337 1.00 0.00 C ATOM 981 CD LYS A 59 4.752 2.956 15.646 1.00 0.00 C ATOM 982 CE LYS A 59 4.100 3.766 16.753 1.00 0.00 C ATOM 983 NZ LYS A 59 4.849 3.654 18.031 1.00 0.00 N ATOM 0 H LYS A 59 3.608 0.446 11.965 1.00 0.00 H new ATOM 0 HA LYS A 59 3.222 3.255 11.937 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.521 1.207 13.503 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.686 2.477 13.188 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.991 4.149 14.034 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.958 2.805 14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.786 1.905 15.933 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.783 3.283 15.512 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.045 4.813 16.454 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.076 3.423 16.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.374 4.220 18.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.880 2.658 18.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.819 4.005 17.897 1.00 0.00 H new ATOM 997 N ALA A 60 5.494 2.117 10.006 1.00 0.00 N ATOM 998 CA ALA A 60 6.513 2.471 9.027 1.00 0.00 C ATOM 999 C ALA A 60 5.904 2.814 7.675 1.00 0.00 C ATOM 1000 O ALA A 60 6.595 2.839 6.656 1.00 0.00 O ATOM 1001 CB ALA A 60 7.530 1.348 8.889 1.00 0.00 C ATOM 0 H ALA A 60 5.160 1.156 9.938 1.00 0.00 H new ATOM 0 HA ALA A 60 7.022 3.364 9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.284 1.629 8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.010 1.171 9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.026 0.439 8.562 1.00 0.00 H new ATOM 1007 N LEU A 61 4.614 3.093 7.681 1.00 0.00 N ATOM 1008 CA LEU A 61 3.906 3.497 6.466 1.00 0.00 C ATOM 1009 C LEU A 61 3.359 4.897 6.610 1.00 0.00 C ATOM 1010 O LEU A 61 3.241 5.657 5.649 1.00 0.00 O ATOM 1011 CB LEU A 61 2.764 2.532 6.151 1.00 0.00 C ATOM 1012 CG LEU A 61 3.182 1.092 5.870 1.00 0.00 C ATOM 1013 CD1 LEU A 61 1.956 0.208 5.737 1.00 0.00 C ATOM 1014 CD2 LEU A 61 4.031 1.021 4.611 1.00 0.00 C ATOM 0 H LEU A 61 4.027 3.049 8.514 1.00 0.00 H new ATOM 0 HA LEU A 61 4.621 3.475 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.068 2.533 6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.220 2.910 5.285 1.00 0.00 H new ATOM 0 HG LEU A 61 3.781 0.732 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.267 -0.817 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.383 0.239 6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.336 0.567 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.321 -0.013 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.457 1.395 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.925 1.630 4.740 1.00 0.00 H new ATOM 1026 N GLU A 62 3.050 5.216 7.830 1.00 0.00 N ATOM 1027 CA GLU A 62 2.480 6.500 8.186 1.00 0.00 C ATOM 1028 C GLU A 62 3.315 7.131 9.285 1.00 0.00 C ATOM 1029 O GLU A 62 3.906 6.416 10.094 1.00 0.00 O ATOM 1030 CB GLU A 62 1.031 6.332 8.662 1.00 0.00 C ATOM 1031 CG GLU A 62 0.055 5.894 7.577 1.00 0.00 C ATOM 1032 CD GLU A 62 -0.191 6.968 6.537 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -0.022 8.161 6.862 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -0.563 6.626 5.394 1.00 0.00 O ATOM 0 H GLU A 62 3.185 4.590 8.624 1.00 0.00 H new ATOM 0 HA GLU A 62 2.481 7.146 7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.010 5.600 9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.688 7.278 9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.442 5.001 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.893 5.618 8.038 1.00 0.00 H new ATOM 1041 N HIS A 63 3.380 8.463 9.290 1.00 0.00 N ATOM 1042 CA HIS A 63 4.111 9.222 10.310 1.00 0.00 C ATOM 1043 C HIS A 63 5.629 9.150 10.094 1.00 0.00 C ATOM 1044 O HIS A 63 6.310 10.174 10.135 1.00 0.00 O ATOM 1045 CB HIS A 63 3.731 8.743 11.723 1.00 0.00 C ATOM 1046 CG HIS A 63 4.372 9.511 12.839 1.00 0.00 C ATOM 1047 ND1 HIS A 63 3.767 10.582 13.462 1.00 0.00 N ATOM 1048 CD2 HIS A 63 5.563 9.344 13.460 1.00 0.00 C ATOM 1049 CE1 HIS A 63 4.558 11.040 14.410 1.00 0.00 C ATOM 1050 NE2 HIS A 63 5.655 10.308 14.433 1.00 0.00 N ATOM 0 H HIS A 63 2.928 9.048 8.587 1.00 0.00 H new ATOM 0 HA HIS A 63 3.820 10.268 10.213 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.648 8.804 11.833 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.003 7.692 11.821 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.304 8.592 13.232 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.344 11.875 15.060 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.442 10.437 15.069 1.00 0.00 H new ATOM 1059 N HIS A 64 6.160 7.955 9.864 1.00 0.00 N ATOM 1060 CA HIS A 64 7.597 7.783 9.677 1.00 0.00 C ATOM 1061 C HIS A 64 7.883 6.488 8.918 1.00 0.00 C ATOM 1062 O HIS A 64 7.391 5.429 9.290 1.00 0.00 O ATOM 1063 CB HIS A 64 8.300 7.763 11.041 1.00 0.00 C ATOM 1064 CG HIS A 64 9.783 7.981 10.976 1.00 0.00 C ATOM 1065 ND1 HIS A 64 10.702 7.055 11.417 1.00 0.00 N ATOM 1066 CD2 HIS A 64 10.503 9.049 10.561 1.00 0.00 C ATOM 1067 CE1 HIS A 64 11.919 7.545 11.279 1.00 0.00 C ATOM 1068 NE2 HIS A 64 11.828 8.756 10.759 1.00 0.00 N ATOM 0 H HIS A 64 5.619 7.092 9.802 1.00 0.00 H new ATOM 0 HA HIS A 64 7.979 8.619 9.091 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.859 8.532 11.675 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.106 6.804 11.522 1.00 0.00 H new ATOM 0 HD2 HIS A 64 10.106 9.965 10.149 1.00 0.00 H new ATOM 0 HE1 HIS A 64 12.836 7.041 11.546 1.00 0.00 H new ATOM 0 HE2 HIS A 64 12.612 9.371 10.541 1.00 0.00 H new ATOM 1077 N HIS A 65 8.673 6.579 7.855 1.00 0.00 N ATOM 1078 CA HIS A 65 9.017 5.403 7.055 1.00 0.00 C ATOM 1079 C HIS A 65 10.533 5.291 6.874 1.00 0.00 C ATOM 1080 O HIS A 65 11.284 6.152 7.335 1.00 0.00 O ATOM 1081 CB HIS A 65 8.304 5.437 5.689 1.00 0.00 C ATOM 1082 CG HIS A 65 8.584 6.657 4.857 1.00 0.00 C ATOM 1083 ND1 HIS A 65 7.595 7.517 4.429 1.00 0.00 N ATOM 1084 CD2 HIS A 65 9.742 7.143 4.350 1.00 0.00 C ATOM 1085 CE1 HIS A 65 8.132 8.475 3.699 1.00 0.00 C ATOM 1086 NE2 HIS A 65 9.433 8.272 3.638 1.00 0.00 N ATOM 0 H HIS A 65 9.088 7.451 7.525 1.00 0.00 H new ATOM 0 HA HIS A 65 8.673 4.519 7.593 1.00 0.00 H new ATOM 0 HB2 HIS A 65 8.596 4.554 5.121 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.229 5.368 5.855 1.00 0.00 H new ATOM 0 HD2 HIS A 65 10.726 6.719 4.482 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.597 9.288 3.231 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.102 8.860 3.141 1.00 0.00 H new ATOM 1095 N HIS A 66 10.974 4.236 6.194 1.00 0.00 N ATOM 1096 CA HIS A 66 12.400 3.998 5.980 1.00 0.00 C ATOM 1097 C HIS A 66 12.890 4.801 4.773 1.00 0.00 C ATOM 1098 O HIS A 66 13.668 5.741 4.922 1.00 0.00 O ATOM 1099 CB HIS A 66 12.665 2.499 5.778 1.00 0.00 C ATOM 1100 CG HIS A 66 14.113 2.107 5.868 1.00 0.00 C ATOM 1101 ND1 HIS A 66 14.609 0.959 5.297 1.00 0.00 N ATOM 1102 CD2 HIS A 66 15.162 2.698 6.492 1.00 0.00 C ATOM 1103 CE1 HIS A 66 15.897 0.858 5.564 1.00 0.00 C ATOM 1104 NE2 HIS A 66 16.261 1.900 6.289 1.00 0.00 N ATOM 0 H HIS A 66 10.364 3.531 5.781 1.00 0.00 H new ATOM 0 HA HIS A 66 12.950 4.327 6.862 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.102 1.939 6.525 1.00 0.00 H new ATOM 0 HB3 HIS A 66 12.281 2.203 4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 66 15.138 3.625 7.046 1.00 0.00 H new ATOM 0 HE1 HIS A 66 16.546 0.056 5.243 1.00 0.00 H new ATOM 0 HE2 HIS A 66 17.201 2.082 6.640 1.00 0.00 H new ATOM 1113 N HIS A 67 12.428 4.431 3.581 1.00 0.00 N ATOM 1114 CA HIS A 67 12.740 5.196 2.372 1.00 0.00 C ATOM 1115 C HIS A 67 11.443 5.578 1.671 1.00 0.00 C ATOM 1116 O HIS A 67 11.335 6.644 1.076 1.00 0.00 O ATOM 1117 CB HIS A 67 13.646 4.405 1.423 1.00 0.00 C ATOM 1118 CG HIS A 67 14.334 5.262 0.399 1.00 0.00 C ATOM 1119 ND1 HIS A 67 13.811 5.535 -0.850 1.00 0.00 N ATOM 1120 CD2 HIS A 67 15.522 5.909 0.452 1.00 0.00 C ATOM 1121 CE1 HIS A 67 14.648 6.309 -1.515 1.00 0.00 C ATOM 1122 NE2 HIS A 67 15.690 6.551 -0.749 1.00 0.00 N ATOM 0 H HIS A 67 11.840 3.612 3.425 1.00 0.00 H new ATOM 0 HA HIS A 67 13.281 6.097 2.662 1.00 0.00 H new ATOM 0 HB2 HIS A 67 14.399 3.877 2.008 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.051 3.648 0.912 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.210 5.918 1.285 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.502 6.681 -2.518 1.00 0.00 H new ATOM 0 HE2 HIS A 67 16.494 7.124 -1.007 1.00 0.00 H new ATOM 1131 N HIS A 68 10.468 4.687 1.748 1.00 0.00 N ATOM 1132 CA HIS A 68 9.112 4.973 1.312 1.00 0.00 C ATOM 1133 C HIS A 68 8.160 4.158 2.160 1.00 0.00 C ATOM 1134 O HIS A 68 7.183 4.729 2.669 1.00 0.00 O ATOM 1135 CB HIS A 68 8.896 4.705 -0.194 1.00 0.00 C ATOM 1136 CG HIS A 68 9.277 3.333 -0.675 1.00 0.00 C ATOM 1137 ND1 HIS A 68 10.319 3.118 -1.550 1.00 0.00 N ATOM 1138 CD2 HIS A 68 8.742 2.112 -0.427 1.00 0.00 C ATOM 1139 CE1 HIS A 68 10.410 1.830 -1.818 1.00 0.00 C ATOM 1140 NE2 HIS A 68 9.467 1.196 -1.151 1.00 0.00 N ATOM 1141 OXT HIS A 68 8.457 2.961 2.374 1.00 0.00 O ATOM 0 H HIS A 68 10.595 3.744 2.115 1.00 0.00 H new ATOM 0 HA HIS A 68 8.919 6.037 1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.844 4.872 -0.426 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.468 5.440 -0.760 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.903 1.899 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.135 1.372 -2.474 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.302 0.190 -1.169 1.00 0.00 H new TER 1150 HIS A 68