USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 367 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 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0166) USER MOD Single : A 25 THR OG1 : rot 62:sc= 0.408 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.053) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.346) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 48 ASN : amide:sc= -14.2! C(o=-14!,f=-13!) USER MOD Single : A 49 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.13) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 58:sc= 0.916 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 125:sc= 0.345 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0869 X(o=-0.087,f=-0.087) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 0.946 19.709 -5.713 1.00 0.00 N ATOM 2 CA LYS A 21 0.231 18.397 -5.619 1.00 0.00 C ATOM 3 C LYS A 21 -0.169 18.027 -7.036 1.00 0.00 C ATOM 4 O LYS A 21 -0.249 16.883 -7.416 1.00 0.00 O ATOM 5 CB LYS A 21 -1.027 18.525 -4.716 1.00 0.00 C ATOM 6 CG LYS A 21 -0.783 17.880 -3.325 1.00 0.00 C ATOM 7 CD LYS A 21 -1.232 16.405 -3.330 1.00 0.00 C ATOM 8 CE LYS A 21 -2.738 16.308 -3.049 1.00 0.00 C ATOM 9 NZ LYS A 21 -2.978 16.442 -1.583 1.00 0.00 N ATOM 0 HA LYS A 21 0.868 17.632 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.285 19.577 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.877 18.043 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.274 17.944 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.331 18.431 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.005 15.951 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.677 15.846 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.271 17.091 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.125 15.354 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.984 16.275 -1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.401 15.744 -1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.716 17.400 -1.275 1.00 0.00 H new ATOM 23 N LEU A 22 -0.399 19.033 -7.794 1.00 0.00 N ATOM 24 CA LEU A 22 -0.796 18.903 -9.213 1.00 0.00 C ATOM 25 C LEU A 22 0.034 17.840 -9.955 1.00 0.00 C ATOM 26 O LEU A 22 -0.499 16.864 -10.442 1.00 0.00 O ATOM 27 CB LEU A 22 -0.525 20.283 -9.803 1.00 0.00 C ATOM 28 CG LEU A 22 -0.428 20.255 -11.330 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.681 19.600 -11.924 1.00 0.00 C ATOM 30 CD2 LEU A 22 -0.315 21.691 -11.850 1.00 0.00 C ATOM 0 H LEU A 22 -0.326 19.999 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.834 18.585 -9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.321 20.966 -9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.404 20.676 -9.390 1.00 0.00 H new ATOM 0 HG LEU A 22 0.450 19.680 -11.625 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.603 19.585 -13.011 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.769 18.579 -11.552 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.563 20.170 -11.632 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.245 21.680 -12.938 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.196 22.257 -11.549 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.577 22.159 -11.434 1.00 0.00 H new ATOM 42 N LEU A 23 1.323 18.029 -10.073 1.00 0.00 N ATOM 43 CA LEU A 23 2.155 17.038 -10.813 1.00 0.00 C ATOM 44 C LEU A 23 2.539 15.951 -9.840 1.00 0.00 C ATOM 45 O LEU A 23 2.559 14.777 -10.147 1.00 0.00 O ATOM 46 CB LEU A 23 3.405 17.745 -11.366 1.00 0.00 C ATOM 47 CG LEU A 23 3.853 17.099 -12.694 1.00 0.00 C ATOM 48 CD1 LEU A 23 3.058 17.691 -13.864 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.346 17.364 -12.923 1.00 0.00 C ATOM 0 H LEU A 23 1.833 18.825 -9.690 1.00 0.00 H new ATOM 0 HA LEU A 23 1.610 16.605 -11.652 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.191 18.802 -11.524 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.213 17.688 -10.637 1.00 0.00 H new ATOM 0 HG LEU A 23 3.672 16.026 -12.637 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.383 17.228 -14.796 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.995 17.501 -13.715 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.230 18.766 -13.914 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.657 16.906 -13.862 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.522 18.439 -12.968 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.922 16.936 -12.102 1.00 0.00 H new ATOM 61 N ILE A 24 2.815 16.361 -8.652 1.00 0.00 N ATOM 62 CA ILE A 24 3.175 15.407 -7.591 1.00 0.00 C ATOM 63 C ILE A 24 2.031 14.393 -7.503 1.00 0.00 C ATOM 64 O ILE A 24 2.188 13.292 -7.013 1.00 0.00 O ATOM 65 CB ILE A 24 3.345 16.188 -6.261 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.464 17.706 -6.566 1.00 0.00 C ATOM 67 CG2 ILE A 24 4.603 15.702 -5.523 1.00 0.00 C ATOM 68 CD1 ILE A 24 3.997 18.457 -5.341 1.00 0.00 C ATOM 0 H ILE A 24 2.806 17.339 -8.363 1.00 0.00 H new ATOM 0 HA ILE A 24 4.111 14.888 -7.796 1.00 0.00 H new ATOM 0 HB ILE A 24 2.476 16.013 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.130 17.862 -7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.490 18.104 -6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.715 16.256 -4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.508 14.638 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.479 15.867 -6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.075 19.520 -5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.315 18.316 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.981 18.070 -5.077 1.00 0.00 H new ATOM 80 N THR A 25 0.879 14.770 -8.005 1.00 0.00 N ATOM 81 CA THR A 25 -0.294 13.848 -7.993 1.00 0.00 C ATOM 82 C THR A 25 -0.377 13.132 -9.343 1.00 0.00 C ATOM 83 O THR A 25 -0.779 11.989 -9.424 1.00 0.00 O ATOM 84 CB THR A 25 -1.581 14.648 -7.763 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.569 15.195 -6.451 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.793 13.729 -7.919 1.00 0.00 C ATOM 0 H THR A 25 0.703 15.683 -8.424 1.00 0.00 H new ATOM 0 HA THR A 25 -0.177 13.119 -7.191 1.00 0.00 H new ATOM 0 HB THR A 25 -1.641 15.453 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.814 15.813 -6.361 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.707 14.301 -7.755 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.804 13.309 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.734 12.922 -7.189 1.00 0.00 H new ATOM 94 N ILE A 26 0.005 13.790 -10.409 1.00 0.00 N ATOM 95 CA ILE A 26 -0.053 13.129 -11.748 1.00 0.00 C ATOM 96 C ILE A 26 1.172 12.267 -11.921 1.00 0.00 C ATOM 97 O ILE A 26 1.133 11.167 -12.435 1.00 0.00 O ATOM 98 CB ILE A 26 -0.052 14.194 -12.842 1.00 0.00 C ATOM 99 CG1 ILE A 26 -1.337 15.027 -12.747 1.00 0.00 C ATOM 100 CG2 ILE A 26 0.023 13.521 -14.218 1.00 0.00 C ATOM 101 CD1 ILE A 26 -1.139 16.364 -13.466 1.00 0.00 C ATOM 0 H ILE A 26 0.352 14.749 -10.410 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.958 12.525 -11.817 1.00 0.00 H new ATOM 0 HB ILE A 26 0.813 14.844 -12.712 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.169 14.482 -13.194 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.594 15.200 -11.702 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.024 14.284 -14.997 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.938 12.933 -14.286 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.839 12.868 -14.351 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.053 16.953 -13.397 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.319 16.910 -12.999 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.903 16.182 -14.515 1.00 0.00 H new ATOM 113 N HIS A 27 2.257 12.794 -11.506 1.00 0.00 N ATOM 114 CA HIS A 27 3.543 12.085 -11.628 1.00 0.00 C ATOM 115 C HIS A 27 3.575 10.898 -10.657 1.00 0.00 C ATOM 116 O HIS A 27 4.431 10.039 -10.748 1.00 0.00 O ATOM 117 CB HIS A 27 4.654 13.094 -11.310 1.00 0.00 C ATOM 118 CG HIS A 27 5.881 12.793 -12.122 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.028 12.243 -11.576 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.142 12.969 -13.454 1.00 0.00 C ATOM 121 CE1 HIS A 27 7.923 12.106 -12.573 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.433 12.535 -13.741 1.00 0.00 N ATOM 0 H HIS A 27 2.318 13.715 -11.072 1.00 0.00 H new ATOM 0 HA HIS A 27 3.682 11.687 -12.633 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.308 14.105 -11.523 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.895 13.057 -10.248 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.451 13.382 -14.174 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.915 11.699 -12.445 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.903 12.543 -14.646 1.00 0.00 H new ATOM 130 N ASP A 28 2.645 10.841 -9.731 1.00 0.00 N ATOM 131 CA ASP A 28 2.610 9.707 -8.751 1.00 0.00 C ATOM 132 C ASP A 28 1.421 8.795 -9.053 1.00 0.00 C ATOM 133 O ASP A 28 1.543 7.587 -9.033 1.00 0.00 O ATOM 134 CB ASP A 28 2.461 10.252 -7.330 1.00 0.00 C ATOM 135 CG ASP A 28 3.767 10.923 -6.899 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.360 11.602 -7.720 1.00 0.00 O ATOM 137 OD2 ASP A 28 4.150 10.746 -5.754 1.00 0.00 O ATOM 0 H ASP A 28 1.906 11.534 -9.612 1.00 0.00 H new ATOM 0 HA ASP A 28 3.539 9.144 -8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.641 10.969 -7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.212 9.443 -6.643 1.00 0.00 H new ATOM 142 N ARG A 29 0.265 9.349 -9.323 1.00 0.00 N ATOM 143 CA ARG A 29 -0.909 8.475 -9.607 1.00 0.00 C ATOM 144 C ARG A 29 -0.514 7.436 -10.653 1.00 0.00 C ATOM 145 O ARG A 29 -1.183 6.445 -10.840 1.00 0.00 O ATOM 146 CB ARG A 29 -2.102 9.301 -10.109 1.00 0.00 C ATOM 147 CG ARG A 29 -1.860 9.780 -11.545 1.00 0.00 C ATOM 148 CD ARG A 29 -2.916 10.822 -11.923 1.00 0.00 C ATOM 149 NE ARG A 29 -2.556 11.443 -13.228 1.00 0.00 N ATOM 150 CZ ARG A 29 -3.444 12.132 -13.889 1.00 0.00 C ATOM 151 NH1 ARG A 29 -4.649 12.277 -13.407 1.00 0.00 N ATOM 152 NH2 ARG A 29 -3.130 12.677 -15.033 1.00 0.00 N ATOM 0 H ARG A 29 0.087 10.353 -9.358 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.211 7.978 -8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.010 8.700 -10.069 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.258 10.159 -9.455 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.862 10.210 -11.632 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.905 8.936 -12.233 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.898 10.353 -11.990 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.980 11.587 -11.149 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.615 11.329 -13.605 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.896 11.851 -12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.344 12.816 -13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.189 12.564 -15.411 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.825 13.216 -15.549 1.00 0.00 H new ATOM 166 N LYS A 30 0.580 7.654 -11.329 1.00 0.00 N ATOM 167 CA LYS A 30 1.029 6.672 -12.355 1.00 0.00 C ATOM 168 C LYS A 30 0.999 5.280 -11.729 1.00 0.00 C ATOM 169 O LYS A 30 0.421 4.356 -12.265 1.00 0.00 O ATOM 170 CB LYS A 30 2.458 7.007 -12.804 1.00 0.00 C ATOM 171 CG LYS A 30 2.804 6.240 -14.096 1.00 0.00 C ATOM 172 CD LYS A 30 2.322 7.021 -15.325 1.00 0.00 C ATOM 173 CE LYS A 30 2.780 6.304 -16.597 1.00 0.00 C ATOM 174 NZ LYS A 30 1.960 5.076 -16.798 1.00 0.00 N ATOM 0 H LYS A 30 1.182 8.469 -11.215 1.00 0.00 H new ATOM 0 HA LYS A 30 0.372 6.709 -13.224 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.552 8.080 -12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.165 6.745 -12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.881 6.083 -14.156 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.339 5.255 -14.078 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.235 7.104 -15.313 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.720 8.036 -15.303 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.679 6.966 -17.457 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.835 6.041 -16.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.176 4.662 -17.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.180 4.386 -16.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.950 5.322 -16.755 1.00 0.00 H new ATOM 188 N GLU A 31 1.593 5.136 -10.578 1.00 0.00 N ATOM 189 CA GLU A 31 1.576 3.818 -9.893 1.00 0.00 C ATOM 190 C GLU A 31 0.121 3.400 -9.709 1.00 0.00 C ATOM 191 O GLU A 31 -0.283 2.322 -10.100 1.00 0.00 O ATOM 192 CB GLU A 31 2.244 3.950 -8.525 1.00 0.00 C ATOM 193 CG GLU A 31 3.629 4.579 -8.690 1.00 0.00 C ATOM 194 CD GLU A 31 4.482 3.706 -9.611 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.415 2.495 -9.475 1.00 0.00 O ATOM 196 OE2 GLU A 31 5.188 4.262 -10.436 1.00 0.00 O ATOM 0 H GLU A 31 2.090 5.876 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 31 2.113 3.075 -10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.630 4.565 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.332 2.970 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.537 5.582 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.112 4.680 -7.718 1.00 0.00 H new ATOM 203 N PHE A 32 -0.678 4.258 -9.132 1.00 0.00 N ATOM 204 CA PHE A 32 -2.110 3.925 -8.943 1.00 0.00 C ATOM 205 C PHE A 32 -2.688 3.607 -10.312 1.00 0.00 C ATOM 206 O PHE A 32 -3.236 2.550 -10.550 1.00 0.00 O ATOM 207 CB PHE A 32 -2.829 5.134 -8.299 1.00 0.00 C ATOM 208 CG PHE A 32 -3.356 4.774 -6.924 1.00 0.00 C ATOM 209 CD1 PHE A 32 -4.599 4.142 -6.794 1.00 0.00 C ATOM 210 CD2 PHE A 32 -2.599 5.071 -5.784 1.00 0.00 C ATOM 211 CE1 PHE A 32 -5.085 3.809 -5.524 1.00 0.00 C ATOM 212 CE2 PHE A 32 -3.085 4.737 -4.515 1.00 0.00 C ATOM 213 CZ PHE A 32 -4.328 4.106 -4.384 1.00 0.00 C ATOM 0 H PHE A 32 -0.396 5.175 -8.785 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.240 3.067 -8.284 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.139 5.974 -8.221 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.652 5.456 -8.937 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.182 3.912 -7.673 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.640 5.558 -5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.044 3.323 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.501 4.966 -3.636 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.703 3.849 -3.404 1.00 0.00 H new ATOM 223 N ALA A 33 -2.534 4.516 -11.213 1.00 0.00 N ATOM 224 CA ALA A 33 -3.035 4.290 -12.594 1.00 0.00 C ATOM 225 C ALA A 33 -2.479 2.957 -13.092 1.00 0.00 C ATOM 226 O ALA A 33 -3.059 2.304 -13.930 1.00 0.00 O ATOM 227 CB ALA A 33 -2.559 5.422 -13.508 1.00 0.00 C ATOM 0 H ALA A 33 -2.080 5.416 -11.059 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.125 4.270 -12.601 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.928 5.253 -14.519 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.940 6.374 -13.137 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.469 5.447 -13.519 1.00 0.00 H new ATOM 233 N LYS A 34 -1.355 2.542 -12.569 1.00 0.00 N ATOM 234 CA LYS A 34 -0.768 1.239 -12.997 1.00 0.00 C ATOM 235 C LYS A 34 -1.398 0.120 -12.162 1.00 0.00 C ATOM 236 O LYS A 34 -2.031 -0.775 -12.686 1.00 0.00 O ATOM 237 CB LYS A 34 0.755 1.263 -12.783 1.00 0.00 C ATOM 238 CG LYS A 34 1.435 0.237 -13.702 1.00 0.00 C ATOM 239 CD LYS A 34 0.891 -1.167 -13.413 1.00 0.00 C ATOM 240 CE LYS A 34 1.859 -2.218 -13.962 1.00 0.00 C ATOM 241 NZ LYS A 34 1.183 -3.546 -13.996 1.00 0.00 N ATOM 0 H LYS A 34 -0.819 3.049 -11.865 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.970 1.066 -14.054 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.143 2.260 -12.989 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.987 1.040 -11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.257 0.497 -14.745 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.514 0.257 -13.548 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.761 -1.303 -12.339 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.091 -1.288 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.186 -1.939 -14.964 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.751 -2.268 -13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.840 -4.261 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.892 -3.812 -13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.345 -3.493 -14.609 1.00 0.00 H new ATOM 255 N PHE A 35 -1.237 0.165 -10.865 1.00 0.00 N ATOM 256 CA PHE A 35 -1.837 -0.900 -10.009 1.00 0.00 C ATOM 257 C PHE A 35 -3.321 -1.021 -10.327 1.00 0.00 C ATOM 258 O PHE A 35 -3.982 -1.957 -9.929 1.00 0.00 O ATOM 259 CB PHE A 35 -1.646 -0.551 -8.529 1.00 0.00 C ATOM 260 CG PHE A 35 -0.220 -0.839 -8.120 1.00 0.00 C ATOM 261 CD1 PHE A 35 0.198 -2.163 -7.930 1.00 0.00 C ATOM 262 CD2 PHE A 35 0.685 0.214 -7.932 1.00 0.00 C ATOM 263 CE1 PHE A 35 1.519 -2.433 -7.551 1.00 0.00 C ATOM 264 CE2 PHE A 35 2.006 -0.057 -7.554 1.00 0.00 C ATOM 265 CZ PHE A 35 2.422 -1.381 -7.364 1.00 0.00 C ATOM 0 H PHE A 35 -0.720 0.888 -10.365 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.343 -1.850 -10.211 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.878 0.501 -8.360 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.335 -1.132 -7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.499 -2.975 -8.076 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.364 1.235 -8.079 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.841 -3.453 -7.403 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.704 0.755 -7.409 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.441 -1.590 -7.073 1.00 0.00 H new ATOM 275 N GLU A 36 -3.845 -0.088 -11.052 1.00 0.00 N ATOM 276 CA GLU A 36 -5.281 -0.152 -11.410 1.00 0.00 C ATOM 277 C GLU A 36 -5.586 -1.519 -12.025 1.00 0.00 C ATOM 278 O GLU A 36 -6.546 -2.177 -11.694 1.00 0.00 O ATOM 279 CB GLU A 36 -5.604 1.006 -12.372 1.00 0.00 C ATOM 280 CG GLU A 36 -5.258 0.612 -13.797 1.00 0.00 C ATOM 281 CD GLU A 36 -5.465 1.807 -14.731 1.00 0.00 C ATOM 282 OE1 GLU A 36 -5.522 2.920 -14.233 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.562 1.588 -15.927 1.00 0.00 O ATOM 0 H GLU A 36 -3.341 0.721 -11.415 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.911 -0.041 -10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.661 1.262 -12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.042 1.895 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.223 0.273 -13.849 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.883 -0.222 -14.115 1.00 0.00 H new ATOM 290 N GLU A 37 -4.766 -1.937 -12.919 1.00 0.00 N ATOM 291 CA GLU A 37 -4.979 -3.252 -13.586 1.00 0.00 C ATOM 292 C GLU A 37 -5.314 -4.331 -12.549 1.00 0.00 C ATOM 293 O GLU A 37 -6.006 -5.286 -12.842 1.00 0.00 O ATOM 294 CB GLU A 37 -3.706 -3.650 -14.335 1.00 0.00 C ATOM 295 CG GLU A 37 -3.957 -4.940 -15.119 1.00 0.00 C ATOM 296 CD GLU A 37 -2.794 -5.188 -16.081 1.00 0.00 C ATOM 297 OE1 GLU A 37 -2.485 -4.292 -16.848 1.00 0.00 O ATOM 298 OE2 GLU A 37 -2.231 -6.269 -16.032 1.00 0.00 O ATOM 0 H GLU A 37 -3.940 -1.426 -13.230 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.812 -3.163 -14.284 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.406 -2.852 -15.014 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.887 -3.794 -13.631 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.061 -5.781 -14.433 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.892 -4.864 -15.674 1.00 0.00 H new ATOM 305 N GLU A 38 -4.813 -4.208 -11.348 1.00 0.00 N ATOM 306 CA GLU A 38 -5.078 -5.234 -10.317 1.00 0.00 C ATOM 307 C GLU A 38 -6.413 -4.965 -9.596 1.00 0.00 C ATOM 308 O GLU A 38 -7.307 -5.788 -9.599 1.00 0.00 O ATOM 309 CB GLU A 38 -3.923 -5.161 -9.312 1.00 0.00 C ATOM 310 CG GLU A 38 -2.727 -5.970 -9.828 1.00 0.00 C ATOM 311 CD GLU A 38 -1.528 -5.755 -8.903 1.00 0.00 C ATOM 312 OE1 GLU A 38 -1.687 -5.067 -7.909 1.00 0.00 O ATOM 313 OE2 GLU A 38 -0.471 -6.284 -9.204 1.00 0.00 O ATOM 0 H GLU A 38 -4.227 -3.431 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.149 -6.220 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.630 -4.123 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.246 -5.549 -8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.982 -7.029 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.477 -5.662 -10.843 1.00 0.00 H new ATOM 320 N ARG A 39 -6.529 -3.832 -8.952 1.00 0.00 N ATOM 321 CA ARG A 39 -7.774 -3.486 -8.184 1.00 0.00 C ATOM 322 C ARG A 39 -8.521 -2.329 -8.827 1.00 0.00 C ATOM 323 O ARG A 39 -9.375 -1.775 -8.193 1.00 0.00 O ATOM 324 CB ARG A 39 -7.421 -3.139 -6.733 1.00 0.00 C ATOM 325 CG ARG A 39 -6.037 -2.473 -6.681 1.00 0.00 C ATOM 326 CD ARG A 39 -6.005 -1.476 -5.527 1.00 0.00 C ATOM 327 NE ARG A 39 -6.855 -1.976 -4.399 1.00 0.00 N ATOM 328 CZ ARG A 39 -6.695 -1.474 -3.204 1.00 0.00 C ATOM 329 NH1 ARG A 39 -5.799 -0.546 -3.001 1.00 0.00 N ATOM 330 NH2 ARG A 39 -7.429 -1.899 -2.213 1.00 0.00 N ATOM 0 H ARG A 39 -5.803 -3.116 -8.923 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.427 -4.358 -8.198 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.173 -2.469 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.424 -4.042 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.262 -3.227 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.829 -1.965 -7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.980 -1.334 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.367 -0.505 -5.864 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.552 -2.702 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.225 -0.214 -3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.674 -0.154 -2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.129 -2.624 -2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.303 -1.506 -1.280 1.00 0.00 H new ATOM 344 N ALA A 40 -8.195 -1.946 -10.040 1.00 0.00 N ATOM 345 CA ALA A 40 -8.888 -0.794 -10.781 1.00 0.00 C ATOM 346 C ALA A 40 -10.356 -0.562 -10.338 1.00 0.00 C ATOM 347 O ALA A 40 -11.130 0.090 -11.004 1.00 0.00 O ATOM 348 CB ALA A 40 -8.846 -1.068 -12.298 1.00 0.00 C ATOM 0 H ALA A 40 -7.453 -2.389 -10.581 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.342 0.115 -10.530 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.337 -0.252 -12.829 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.809 -1.142 -12.626 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.362 -2.004 -12.513 1.00 0.00 H new ATOM 354 N ARG A 41 -10.708 -1.106 -9.248 1.00 0.00 N ATOM 355 CA ARG A 41 -12.033 -1.009 -8.650 1.00 0.00 C ATOM 356 C ARG A 41 -12.023 0.174 -7.681 1.00 0.00 C ATOM 357 O ARG A 41 -13.043 0.685 -7.278 1.00 0.00 O ATOM 358 CB ARG A 41 -12.167 -2.275 -7.845 1.00 0.00 C ATOM 359 CG ARG A 41 -11.989 -3.508 -8.752 1.00 0.00 C ATOM 360 CD ARG A 41 -11.901 -4.798 -7.902 1.00 0.00 C ATOM 361 NE ARG A 41 -10.767 -5.654 -8.386 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.584 -5.885 -9.663 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.443 -5.454 -10.544 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.549 -6.577 -10.054 1.00 0.00 N ATOM 0 H ARG A 41 -10.066 -1.671 -8.692 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.831 -0.880 -9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.421 -2.289 -7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.145 -2.307 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.826 -3.580 -9.447 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.085 -3.398 -9.352 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.753 -4.543 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.838 -5.351 -7.966 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.126 -6.064 -7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.266 -4.932 -10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.292 -5.638 -11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.886 -6.936 -9.367 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.403 -6.759 -11.047 1.00 0.00 H new ATOM 378 N ALA A 42 -10.842 0.570 -7.278 1.00 0.00 N ATOM 379 CA ALA A 42 -10.697 1.675 -6.284 1.00 0.00 C ATOM 380 C ALA A 42 -11.203 2.988 -6.841 1.00 0.00 C ATOM 381 O ALA A 42 -11.113 4.028 -6.220 1.00 0.00 O ATOM 382 CB ALA A 42 -9.233 1.813 -5.863 1.00 0.00 C ATOM 0 H ALA A 42 -9.961 0.169 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 42 -11.301 1.425 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.138 2.621 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.894 0.880 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.622 2.036 -6.738 1.00 0.00 H new ATOM 388 N LYS A 43 -11.725 2.928 -8.005 1.00 0.00 N ATOM 389 CA LYS A 43 -12.263 4.143 -8.685 1.00 0.00 C ATOM 390 C LYS A 43 -13.758 4.038 -8.786 1.00 0.00 C ATOM 391 O LYS A 43 -14.456 5.028 -8.890 1.00 0.00 O ATOM 392 CB LYS A 43 -11.644 4.282 -10.079 1.00 0.00 C ATOM 393 CG LYS A 43 -11.347 2.897 -10.726 1.00 0.00 C ATOM 394 CD LYS A 43 -9.845 2.768 -11.060 1.00 0.00 C ATOM 395 CE LYS A 43 -9.421 3.849 -12.073 1.00 0.00 C ATOM 396 NZ LYS A 43 -8.363 3.295 -12.964 1.00 0.00 N ATOM 0 H LYS A 43 -11.813 2.068 -8.546 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.006 5.028 -8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.321 4.845 -10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.720 4.856 -10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.644 2.099 -10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.939 2.778 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.255 2.864 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.641 1.778 -11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.280 4.169 -12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.048 4.729 -11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.264 3.901 -13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.459 3.263 -12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.627 2.334 -13.260 1.00 0.00 H new ATOM 410 N TRP A 44 -14.260 2.855 -8.725 1.00 0.00 N ATOM 411 CA TRP A 44 -15.738 2.681 -8.782 1.00 0.00 C ATOM 412 C TRP A 44 -16.133 1.517 -7.890 1.00 0.00 C ATOM 413 O TRP A 44 -17.129 0.864 -8.115 1.00 0.00 O ATOM 414 CB TRP A 44 -16.191 2.419 -10.213 1.00 0.00 C ATOM 415 CG TRP A 44 -15.215 1.538 -10.851 1.00 0.00 C ATOM 416 CD1 TRP A 44 -14.194 2.003 -11.533 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.131 0.083 -10.892 1.00 0.00 C ATOM 418 NE1 TRP A 44 -13.424 0.955 -11.965 1.00 0.00 N ATOM 419 CE2 TRP A 44 -13.964 -0.258 -11.603 1.00 0.00 C ATOM 420 CE3 TRP A 44 -15.924 -0.962 -10.383 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.585 -1.579 -11.800 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.546 -2.304 -10.594 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.377 -2.607 -11.296 1.00 0.00 C ATOM 0 H TRP A 44 -13.721 1.994 -8.638 1.00 0.00 H new ATOM 0 HA TRP A 44 -16.221 3.594 -8.434 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -17.179 1.959 -10.220 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -16.272 3.357 -10.763 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -13.993 3.047 -11.723 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -12.556 1.061 -12.491 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -16.824 -0.736 -9.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.679 -1.808 -12.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -16.164 -3.102 -10.211 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -14.088 -3.637 -11.447 1.00 0.00 H new ATOM 434 N ASP A 45 -15.325 1.233 -6.908 1.00 0.00 N ATOM 435 CA ASP A 45 -15.596 0.067 -6.016 1.00 0.00 C ATOM 436 C ASP A 45 -14.570 0.004 -4.902 1.00 0.00 C ATOM 437 O ASP A 45 -14.853 0.327 -3.770 1.00 0.00 O ATOM 438 CB ASP A 45 -15.522 -1.187 -6.897 1.00 0.00 C ATOM 439 CG ASP A 45 -16.928 -1.580 -7.391 1.00 0.00 C ATOM 440 OD1 ASP A 45 -17.899 -1.015 -6.914 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.010 -2.445 -8.238 1.00 0.00 O ATOM 0 H ASP A 45 -14.482 1.761 -6.682 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.575 0.151 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.868 -1.002 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.084 -2.010 -6.333 1.00 0.00 H new ATOM 446 N THR A 46 -13.410 -0.436 -5.221 1.00 0.00 N ATOM 447 CA THR A 46 -12.329 -0.573 -4.209 1.00 0.00 C ATOM 448 C THR A 46 -12.559 -1.825 -3.425 1.00 0.00 C ATOM 449 O THR A 46 -11.640 -2.535 -3.121 1.00 0.00 O ATOM 450 CB THR A 46 -12.252 0.674 -3.271 1.00 0.00 C ATOM 451 OG1 THR A 46 -10.900 1.107 -3.204 1.00 0.00 O ATOM 452 CG2 THR A 46 -12.725 0.381 -1.830 1.00 0.00 C ATOM 0 H THR A 46 -13.145 -0.718 -6.165 1.00 0.00 H new ATOM 0 HA THR A 46 -11.369 -0.634 -4.722 1.00 0.00 H new ATOM 0 HB THR A 46 -12.913 1.432 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.836 1.891 -2.619 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.647 1.288 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.762 0.047 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.100 -0.398 -1.393 1.00 0.00 H new ATOM 460 N ALA A 47 -13.771 -2.075 -3.059 1.00 0.00 N ATOM 461 CA ALA A 47 -14.061 -3.299 -2.240 1.00 0.00 C ATOM 462 C ALA A 47 -14.883 -4.348 -2.976 1.00 0.00 C ATOM 463 O ALA A 47 -14.751 -5.516 -2.685 1.00 0.00 O ATOM 464 CB ALA A 47 -14.777 -2.897 -0.951 1.00 0.00 C ATOM 0 H ALA A 47 -14.581 -1.497 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.098 -3.759 -2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.986 -3.787 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.143 -2.221 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.713 -2.396 -1.196 1.00 0.00 H new ATOM 470 N ASN A 48 -15.747 -3.942 -3.873 1.00 0.00 N ATOM 471 CA ASN A 48 -16.649 -4.922 -4.613 1.00 0.00 C ATOM 472 C ASN A 48 -16.299 -6.393 -4.338 1.00 0.00 C ATOM 473 O ASN A 48 -16.520 -6.913 -3.263 1.00 0.00 O ATOM 474 CB ASN A 48 -16.555 -4.683 -6.114 1.00 0.00 C ATOM 475 CG ASN A 48 -15.087 -4.609 -6.538 1.00 0.00 C ATOM 476 OD1 ASN A 48 -14.759 -3.991 -7.530 1.00 0.00 O ATOM 477 ND2 ASN A 48 -14.181 -5.224 -5.823 1.00 0.00 N ATOM 0 H ASN A 48 -15.878 -2.966 -4.137 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.659 -4.742 -4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -17.058 -5.487 -6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.066 -3.756 -6.376 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.200 -5.184 -6.099 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.455 -5.744 -4.989 1.00 0.00 H new ATOM 484 N ASN A 49 -15.765 -7.057 -5.320 1.00 0.00 N ATOM 485 CA ASN A 49 -15.393 -8.486 -5.161 1.00 0.00 C ATOM 486 C ASN A 49 -14.119 -8.567 -4.298 1.00 0.00 C ATOM 487 O ASN A 49 -13.316 -7.658 -4.338 1.00 0.00 O ATOM 488 CB ASN A 49 -15.116 -9.075 -6.553 1.00 0.00 C ATOM 489 CG ASN A 49 -16.354 -9.809 -7.084 1.00 0.00 C ATOM 490 OD1 ASN A 49 -16.730 -9.644 -8.227 1.00 0.00 O ATOM 491 ND2 ASN A 49 -17.007 -10.617 -6.294 1.00 0.00 N ATOM 0 H ASN A 49 -15.568 -6.664 -6.240 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.196 -9.045 -4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.835 -8.278 -7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.272 -9.763 -6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.832 -11.109 -6.637 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.692 -10.756 -5.334 1.00 0.00 H new ATOM 498 N PRO A 50 -13.948 -9.637 -3.542 1.00 0.00 N ATOM 499 CA PRO A 50 -12.753 -9.772 -2.698 1.00 0.00 C ATOM 500 C PRO A 50 -11.506 -9.632 -3.542 1.00 0.00 C ATOM 501 O PRO A 50 -10.410 -9.486 -3.045 1.00 0.00 O ATOM 502 CB PRO A 50 -12.872 -11.159 -2.030 1.00 0.00 C ATOM 503 CG PRO A 50 -14.171 -11.821 -2.580 1.00 0.00 C ATOM 504 CD PRO A 50 -14.891 -10.774 -3.464 1.00 0.00 C ATOM 0 HA PRO A 50 -12.681 -8.995 -1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.000 -11.773 -2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.918 -11.062 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.931 -12.712 -3.160 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.816 -12.139 -1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.111 -11.175 -4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -15.841 -10.471 -3.025 1.00 0.00 H new ATOM 512 N LEU A 51 -11.695 -9.611 -4.811 1.00 0.00 N ATOM 513 CA LEU A 51 -10.582 -9.407 -5.763 1.00 0.00 C ATOM 514 C LEU A 51 -9.686 -8.300 -5.238 1.00 0.00 C ATOM 515 O LEU A 51 -8.480 -8.392 -5.124 1.00 0.00 O ATOM 516 CB LEU A 51 -11.255 -8.903 -7.015 1.00 0.00 C ATOM 517 CG LEU A 51 -10.366 -9.044 -8.269 1.00 0.00 C ATOM 518 CD1 LEU A 51 -8.916 -8.628 -7.985 1.00 0.00 C ATOM 519 CD2 LEU A 51 -10.390 -10.491 -8.777 1.00 0.00 C ATOM 0 H LEU A 51 -12.607 -9.731 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.989 -10.308 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.183 -9.453 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.523 -7.855 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.770 -8.379 -9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.321 -8.741 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.893 -7.587 -7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.503 -9.260 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.759 -10.577 -9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.016 -11.156 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.412 -10.770 -9.032 1.00 0.00 H new ATOM 531 N TYR A 52 -10.359 -7.257 -4.928 1.00 0.00 N ATOM 532 CA TYR A 52 -9.763 -6.029 -4.394 1.00 0.00 C ATOM 533 C TYR A 52 -8.901 -6.442 -3.213 1.00 0.00 C ATOM 534 O TYR A 52 -7.822 -5.935 -2.977 1.00 0.00 O ATOM 535 CB TYR A 52 -10.930 -5.121 -3.988 1.00 0.00 C ATOM 536 CG TYR A 52 -11.048 -5.084 -2.470 1.00 0.00 C ATOM 537 CD1 TYR A 52 -10.293 -4.171 -1.723 1.00 0.00 C ATOM 538 CD2 TYR A 52 -11.892 -5.990 -1.812 1.00 0.00 C ATOM 539 CE1 TYR A 52 -10.387 -4.158 -0.326 1.00 0.00 C ATOM 540 CE2 TYR A 52 -11.987 -5.975 -0.416 1.00 0.00 C ATOM 541 CZ TYR A 52 -11.234 -5.059 0.327 1.00 0.00 C ATOM 542 OH TYR A 52 -11.326 -5.048 1.704 1.00 0.00 O ATOM 0 H TYR A 52 -11.372 -7.203 -5.031 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.136 -5.488 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.772 -4.114 -4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.858 -5.488 -4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -9.637 -3.476 -2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.470 -6.701 -2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.805 -3.452 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.642 -6.671 0.088 1.00 0.00 H new ATOM 0 HH TYR A 52 -11.960 -5.737 1.995 1.00 0.00 H new ATOM 552 N LYS A 53 -9.400 -7.401 -2.492 1.00 0.00 N ATOM 553 CA LYS A 53 -8.672 -7.937 -1.324 1.00 0.00 C ATOM 554 C LYS A 53 -7.681 -8.967 -1.844 1.00 0.00 C ATOM 555 O LYS A 53 -6.706 -9.295 -1.197 1.00 0.00 O ATOM 556 CB LYS A 53 -9.683 -8.578 -0.337 1.00 0.00 C ATOM 557 CG LYS A 53 -9.502 -8.002 1.080 1.00 0.00 C ATOM 558 CD LYS A 53 -8.165 -8.471 1.682 1.00 0.00 C ATOM 559 CE LYS A 53 -8.325 -9.855 2.327 1.00 0.00 C ATOM 560 NZ LYS A 53 -7.061 -10.227 3.021 1.00 0.00 N ATOM 0 H LYS A 53 -10.302 -7.843 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.140 -7.151 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.701 -8.395 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.543 -9.659 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.530 -6.913 1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.327 -8.321 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.403 -8.511 0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.822 -7.753 2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.153 -9.844 3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.567 -10.597 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.168 -11.164 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.282 -10.253 2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.849 -9.524 3.757 1.00 0.00 H new ATOM 574 N GLU A 54 -7.920 -9.476 -3.022 1.00 0.00 N ATOM 575 CA GLU A 54 -6.960 -10.490 -3.578 1.00 0.00 C ATOM 576 C GLU A 54 -5.771 -9.768 -4.182 1.00 0.00 C ATOM 577 O GLU A 54 -4.650 -10.235 -4.137 1.00 0.00 O ATOM 578 CB GLU A 54 -7.608 -11.355 -4.658 1.00 0.00 C ATOM 579 CG GLU A 54 -8.800 -12.122 -4.072 1.00 0.00 C ATOM 580 CD GLU A 54 -9.183 -13.270 -5.009 1.00 0.00 C ATOM 581 OE1 GLU A 54 -8.558 -14.314 -4.922 1.00 0.00 O ATOM 582 OE2 GLU A 54 -10.095 -13.085 -5.799 1.00 0.00 O ATOM 0 H GLU A 54 -8.716 -9.245 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.650 -11.140 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.940 -10.729 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.877 -12.056 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.545 -12.513 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.648 -11.450 -3.939 1.00 0.00 H new ATOM 589 N ALA A 55 -6.010 -8.630 -4.739 1.00 0.00 N ATOM 590 CA ALA A 55 -4.894 -7.856 -5.348 1.00 0.00 C ATOM 591 C ALA A 55 -3.800 -7.678 -4.299 1.00 0.00 C ATOM 592 O ALA A 55 -2.623 -7.694 -4.603 1.00 0.00 O ATOM 593 CB ALA A 55 -5.401 -6.487 -5.807 1.00 0.00 C ATOM 0 H ALA A 55 -6.930 -8.193 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.499 -8.389 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.580 -5.925 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.191 -6.621 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.794 -5.939 -4.951 1.00 0.00 H new ATOM 599 N THR A 56 -4.180 -7.531 -3.059 1.00 0.00 N ATOM 600 CA THR A 56 -3.172 -7.378 -1.985 1.00 0.00 C ATOM 601 C THR A 56 -2.653 -8.765 -1.633 1.00 0.00 C ATOM 602 O THR A 56 -1.495 -8.961 -1.321 1.00 0.00 O ATOM 603 CB THR A 56 -3.844 -6.726 -0.767 1.00 0.00 C ATOM 604 OG1 THR A 56 -5.248 -6.931 -0.845 1.00 0.00 O ATOM 605 CG2 THR A 56 -3.555 -5.219 -0.736 1.00 0.00 C ATOM 0 H THR A 56 -5.151 -7.511 -2.748 1.00 0.00 H new ATOM 0 HA THR A 56 -2.342 -6.748 -2.304 1.00 0.00 H new ATOM 0 HB THR A 56 -3.446 -7.179 0.141 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.437 -7.892 -0.878 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.039 -4.774 0.133 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.479 -5.056 -0.676 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.942 -4.756 -1.644 1.00 0.00 H new ATOM 613 N SER A 57 -3.513 -9.724 -1.708 1.00 0.00 N ATOM 614 CA SER A 57 -3.109 -11.121 -1.409 1.00 0.00 C ATOM 615 C SER A 57 -2.063 -11.534 -2.437 1.00 0.00 C ATOM 616 O SER A 57 -1.280 -12.435 -2.219 1.00 0.00 O ATOM 617 CB SER A 57 -4.324 -12.047 -1.503 1.00 0.00 C ATOM 618 OG SER A 57 -4.020 -13.284 -0.869 1.00 0.00 O ATOM 0 H SER A 57 -4.492 -9.604 -1.966 1.00 0.00 H new ATOM 0 HA SER A 57 -2.701 -11.191 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.188 -11.583 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.588 -12.215 -2.547 1.00 0.00 H new ATOM 0 HG SER A 57 -4.796 -13.880 -0.925 1.00 0.00 H new ATOM 624 N THR A 58 -2.042 -10.862 -3.558 1.00 0.00 N ATOM 625 CA THR A 58 -1.050 -11.187 -4.609 1.00 0.00 C ATOM 626 C THR A 58 0.329 -11.240 -3.961 1.00 0.00 C ATOM 627 O THR A 58 1.272 -11.790 -4.496 1.00 0.00 O ATOM 628 CB THR A 58 -1.069 -10.101 -5.687 1.00 0.00 C ATOM 629 OG1 THR A 58 -2.413 -9.843 -6.073 1.00 0.00 O ATOM 630 CG2 THR A 58 -0.268 -10.571 -6.902 1.00 0.00 C ATOM 0 H THR A 58 -2.677 -10.097 -3.786 1.00 0.00 H new ATOM 0 HA THR A 58 -1.288 -12.146 -5.070 1.00 0.00 H new ATOM 0 HB THR A 58 -0.622 -9.188 -5.292 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.605 -8.888 -5.970 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.282 -9.797 -7.669 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.762 -10.768 -6.605 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.712 -11.484 -7.300 1.00 0.00 H new ATOM 638 N PHE A 59 0.435 -10.662 -2.797 1.00 0.00 N ATOM 639 CA PHE A 59 1.728 -10.651 -2.066 1.00 0.00 C ATOM 640 C PHE A 59 1.904 -11.968 -1.340 1.00 0.00 C ATOM 641 O PHE A 59 2.929 -12.616 -1.399 1.00 0.00 O ATOM 642 CB PHE A 59 1.664 -9.528 -1.038 1.00 0.00 C ATOM 643 CG PHE A 59 3.046 -9.250 -0.496 1.00 0.00 C ATOM 644 CD1 PHE A 59 3.553 -10.019 0.558 1.00 0.00 C ATOM 645 CD2 PHE A 59 3.822 -8.223 -1.048 1.00 0.00 C ATOM 646 CE1 PHE A 59 4.834 -9.761 1.061 1.00 0.00 C ATOM 647 CE2 PHE A 59 5.102 -7.965 -0.545 1.00 0.00 C ATOM 648 CZ PHE A 59 5.609 -8.734 0.509 1.00 0.00 C ATOM 0 H PHE A 59 -0.332 -10.191 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 59 2.559 -10.505 -2.757 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.255 -8.627 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.994 -9.805 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.956 -10.812 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.432 -7.630 -1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.224 -10.354 1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.699 -7.172 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.597 -8.535 0.896 1.00 0.00 H new ATOM 658 N THR A 60 0.888 -12.340 -0.651 1.00 0.00 N ATOM 659 CA THR A 60 0.907 -13.610 0.127 1.00 0.00 C ATOM 660 C THR A 60 0.587 -14.775 -0.813 1.00 0.00 C ATOM 661 O THR A 60 0.925 -15.912 -0.559 1.00 0.00 O ATOM 662 CB THR A 60 -0.123 -13.486 1.275 1.00 0.00 C ATOM 663 OG1 THR A 60 0.570 -13.334 2.505 1.00 0.00 O ATOM 664 CG2 THR A 60 -1.039 -14.713 1.366 1.00 0.00 C ATOM 0 H THR A 60 0.017 -11.813 -0.584 1.00 0.00 H new ATOM 0 HA THR A 60 1.888 -13.800 0.563 1.00 0.00 H new ATOM 0 HB THR A 60 -0.748 -12.617 1.069 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.077 -13.253 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.745 -14.580 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.587 -14.828 0.431 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.437 -15.604 1.546 1.00 0.00 H new ATOM 672 N ASN A 61 -0.060 -14.484 -1.892 1.00 0.00 N ATOM 673 CA ASN A 61 -0.417 -15.550 -2.871 1.00 0.00 C ATOM 674 C ASN A 61 0.852 -16.258 -3.339 1.00 0.00 C ATOM 675 O ASN A 61 0.805 -17.253 -4.034 1.00 0.00 O ATOM 676 CB ASN A 61 -1.108 -14.916 -4.073 1.00 0.00 C ATOM 677 CG ASN A 61 -1.711 -16.010 -4.956 1.00 0.00 C ATOM 678 OD1 ASN A 61 -1.237 -16.255 -6.048 1.00 0.00 O ATOM 679 ND2 ASN A 61 -2.744 -16.683 -4.527 1.00 0.00 N ATOM 0 H ASN A 61 -0.364 -13.545 -2.148 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.084 -16.271 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.889 -14.234 -3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.393 -14.325 -4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.153 -17.414 -5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.142 -16.477 -3.611 1.00 0.00 H new ATOM 686 N ILE A 62 1.985 -15.739 -2.963 1.00 0.00 N ATOM 687 CA ILE A 62 3.290 -16.350 -3.372 1.00 0.00 C ATOM 688 C ILE A 62 3.836 -17.133 -2.186 1.00 0.00 C ATOM 689 O ILE A 62 4.717 -17.962 -2.312 1.00 0.00 O ATOM 690 CB ILE A 62 4.277 -15.230 -3.769 1.00 0.00 C ATOM 691 CG1 ILE A 62 3.494 -14.028 -4.300 1.00 0.00 C ATOM 692 CG2 ILE A 62 5.238 -15.729 -4.855 1.00 0.00 C ATOM 693 CD1 ILE A 62 4.469 -12.937 -4.747 1.00 0.00 C ATOM 0 H ILE A 62 2.069 -14.905 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 62 3.154 -17.014 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 62 4.854 -14.939 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.864 -14.332 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.831 -13.642 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.928 -14.930 -5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.801 -16.583 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.669 -16.030 -5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.909 -12.081 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.080 -12.625 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.114 -13.326 -5.535 1.00 0.00 H new ATOM 705 N THR A 63 3.297 -16.863 -1.034 1.00 0.00 N ATOM 706 CA THR A 63 3.731 -17.561 0.214 1.00 0.00 C ATOM 707 C THR A 63 2.566 -18.416 0.702 1.00 0.00 C ATOM 708 O THR A 63 2.716 -19.302 1.519 1.00 0.00 O ATOM 709 CB THR A 63 4.138 -16.505 1.249 1.00 0.00 C ATOM 710 OG1 THR A 63 5.550 -16.355 1.227 1.00 0.00 O ATOM 711 CG2 THR A 63 3.694 -16.882 2.671 1.00 0.00 C ATOM 0 H THR A 63 2.558 -16.174 -0.897 1.00 0.00 H new ATOM 0 HA THR A 63 4.590 -18.209 0.040 1.00 0.00 H new ATOM 0 HB THR A 63 3.642 -15.571 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.818 -15.680 1.885 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.005 -16.104 3.368 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.609 -16.982 2.699 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.153 -17.829 2.956 1.00 0.00 H new ATOM 719 N TYR A 64 1.405 -18.145 0.193 1.00 0.00 N ATOM 720 CA TYR A 64 0.203 -18.926 0.606 1.00 0.00 C ATOM 721 C TYR A 64 0.479 -20.423 0.449 1.00 0.00 C ATOM 722 O TYR A 64 -0.310 -21.255 0.851 1.00 0.00 O ATOM 723 CB TYR A 64 -1.010 -18.521 -0.253 1.00 0.00 C ATOM 724 CG TYR A 64 -0.971 -19.214 -1.617 1.00 0.00 C ATOM 725 CD1 TYR A 64 0.199 -19.217 -2.409 1.00 0.00 C ATOM 726 CD2 TYR A 64 -2.123 -19.864 -2.089 1.00 0.00 C ATOM 727 CE1 TYR A 64 0.202 -19.863 -3.652 1.00 0.00 C ATOM 728 CE2 TYR A 64 -2.112 -20.507 -3.332 1.00 0.00 C ATOM 729 CZ TYR A 64 -0.952 -20.506 -4.113 1.00 0.00 C ATOM 730 OH TYR A 64 -0.945 -21.140 -5.338 1.00 0.00 O ATOM 0 H TYR A 64 1.230 -17.413 -0.496 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.019 -18.712 1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.932 -18.783 0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.018 -17.440 -0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.091 -18.721 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.022 -19.868 -1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.097 -19.865 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.001 -21.005 -3.689 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.825 -21.537 -5.506 1.00 0.00 H new