USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 437 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 ASN :FLIP amide:sc= 0.57 F(o=-0.56,f=0.59) USER MOD Set 1.2: A 56 THR OG1 : rot -71:sc= 0.0226 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= -0.0239 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= -0.277 USER MOD Set 3.1: A 45 THR OG1 : rot -7:sc= -0.322! USER MOD Set 3.2: A 54 THR OG1 : rot 145:sc= 0.492 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.406) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -22:sc= 1.95 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= 0.789 (180deg=0.5) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 34 TYR OH : rot 70:sc= -2.51! USER MOD Single : A 36 ASN : amide:sc= 0.0599 X(o=0.06,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.526 K(o=-0.53,f=-7.2!) USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00888 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.409 -13.360 8.589 1.00 0.00 N ATOM 2 CA MET A 1 -1.533 -13.958 7.812 1.00 0.00 C ATOM 3 C MET A 1 -1.758 -13.173 6.518 1.00 0.00 C ATOM 4 O MET A 1 -1.646 -13.709 5.431 1.00 0.00 O ATOM 5 CB MET A 1 -2.752 -13.843 8.728 1.00 0.00 C ATOM 6 CG MET A 1 -3.627 -15.087 8.574 1.00 0.00 C ATOM 7 SD MET A 1 -5.030 -14.983 9.713 1.00 0.00 S ATOM 8 CE MET A 1 -5.089 -16.735 10.164 1.00 0.00 C ATOM 0 H1 MET A 1 -0.266 -13.902 9.465 1.00 0.00 H new ATOM 0 H2 MET A 1 0.460 -13.388 8.019 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.637 -12.373 8.825 1.00 0.00 H new ATOM 0 HA MET A 1 -1.334 -14.991 7.526 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.432 -13.737 9.765 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.325 -12.950 8.478 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.984 -15.169 7.547 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.043 -15.984 8.781 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.899 -16.901 10.874 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.261 -17.335 9.270 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.142 -17.025 10.620 1.00 0.00 H new ATOM 20 N THR A 2 -2.073 -11.907 6.628 1.00 0.00 N ATOM 21 CA THR A 2 -2.308 -11.079 5.407 1.00 0.00 C ATOM 22 C THR A 2 -1.392 -9.852 5.413 1.00 0.00 C ATOM 23 O THR A 2 -1.829 -8.743 5.167 1.00 0.00 O ATOM 24 CB THR A 2 -3.774 -10.652 5.494 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.593 -11.803 5.634 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.164 -9.894 4.223 1.00 0.00 C ATOM 0 H THR A 2 -2.178 -11.411 7.513 1.00 0.00 H new ATOM 0 HA THR A 2 -2.096 -11.629 4.490 1.00 0.00 H new ATOM 0 HB THR A 2 -3.913 -10.001 6.357 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.533 -11.531 5.692 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.209 -9.590 4.287 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.535 -9.010 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.026 -10.541 3.357 1.00 0.00 H new ATOM 34 N THR A 3 -0.126 -10.042 5.689 1.00 0.00 N ATOM 35 CA THR A 3 0.819 -8.884 5.708 1.00 0.00 C ATOM 36 C THR A 3 1.016 -8.347 4.290 1.00 0.00 C ATOM 37 O THR A 3 1.950 -8.715 3.602 1.00 0.00 O ATOM 38 CB THR A 3 2.135 -9.437 6.258 1.00 0.00 C ATOM 39 OG1 THR A 3 1.872 -10.227 7.409 1.00 0.00 O ATOM 40 CG2 THR A 3 3.058 -8.275 6.631 1.00 0.00 C ATOM 0 H THR A 3 0.293 -10.947 5.902 1.00 0.00 H new ATOM 0 HA THR A 3 0.445 -8.061 6.317 1.00 0.00 H new ATOM 0 HB THR A 3 2.618 -10.054 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.715 -10.583 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.996 -8.667 7.023 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.259 -7.671 5.746 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.577 -7.658 7.390 1.00 0.00 H new ATOM 48 N PHE A 4 0.141 -7.477 3.852 1.00 0.00 N ATOM 49 CA PHE A 4 0.271 -6.909 2.476 1.00 0.00 C ATOM 50 C PHE A 4 1.473 -5.966 2.417 1.00 0.00 C ATOM 51 O PHE A 4 1.599 -5.058 3.218 1.00 0.00 O ATOM 52 CB PHE A 4 -1.032 -6.146 2.230 1.00 0.00 C ATOM 53 CG PHE A 4 -2.027 -7.066 1.569 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.817 -7.494 0.254 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.158 -7.496 2.273 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.736 -8.353 -0.359 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.077 -8.356 1.660 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.867 -8.784 0.344 1.00 0.00 C ATOM 0 H PHE A 4 -0.657 -7.136 4.388 1.00 0.00 H new ATOM 0 HA PHE A 4 0.431 -7.679 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.433 -5.774 3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.845 -5.278 1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.945 -7.161 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.321 -7.165 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.573 -8.683 -1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.949 -8.690 2.203 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.577 -9.446 -0.129 1.00 0.00 H new ATOM 68 N LYS A 5 2.359 -6.181 1.478 1.00 0.00 N ATOM 69 CA LYS A 5 3.560 -5.305 1.368 1.00 0.00 C ATOM 70 C LYS A 5 3.268 -4.111 0.459 1.00 0.00 C ATOM 71 O LYS A 5 2.208 -4.012 -0.130 1.00 0.00 O ATOM 72 CB LYS A 5 4.646 -6.191 0.756 1.00 0.00 C ATOM 73 CG LYS A 5 5.128 -7.206 1.795 1.00 0.00 C ATOM 74 CD LYS A 5 6.455 -7.819 1.338 1.00 0.00 C ATOM 75 CE LYS A 5 6.544 -9.268 1.821 1.00 0.00 C ATOM 76 NZ LYS A 5 6.557 -9.178 3.308 1.00 0.00 N ATOM 0 H LYS A 5 2.301 -6.926 0.784 1.00 0.00 H new ATOM 0 HA LYS A 5 3.861 -4.900 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.255 -6.710 -0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.481 -5.578 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.255 -6.719 2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.381 -7.989 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.529 -7.782 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.290 -7.241 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.696 -9.854 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.445 -9.754 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.932 -10.062 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.159 -8.383 3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.588 -9.026 3.655 1.00 0.00 H new ATOM 90 N LEU A 6 4.204 -3.205 0.344 1.00 0.00 N ATOM 91 CA LEU A 6 3.997 -2.010 -0.524 1.00 0.00 C ATOM 92 C LEU A 6 5.350 -1.440 -0.954 1.00 0.00 C ATOM 93 O LEU A 6 6.088 -0.902 -0.150 1.00 0.00 O ATOM 94 CB LEU A 6 3.231 -1.006 0.354 1.00 0.00 C ATOM 95 CG LEU A 6 3.049 0.335 -0.385 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.665 0.388 -1.037 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.194 1.495 0.612 1.00 0.00 C ATOM 0 H LEU A 6 5.107 -3.243 0.817 1.00 0.00 H new ATOM 0 HA LEU A 6 3.448 -2.244 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.257 -1.416 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.772 -0.843 1.286 1.00 0.00 H new ATOM 0 HG LEU A 6 3.811 0.423 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.544 1.338 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.567 -0.431 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.897 0.294 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.065 2.443 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.435 1.404 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.184 1.463 1.066 1.00 0.00 H new ATOM 109 N ILE A 7 5.662 -1.530 -2.219 1.00 0.00 N ATOM 110 CA ILE A 7 6.945 -0.964 -2.717 1.00 0.00 C ATOM 111 C ILE A 7 6.692 0.479 -3.147 1.00 0.00 C ATOM 112 O ILE A 7 5.940 0.731 -4.075 1.00 0.00 O ATOM 113 CB ILE A 7 7.343 -1.832 -3.914 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.536 -3.281 -3.454 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.652 -1.311 -4.513 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.264 -4.229 -4.624 1.00 0.00 C ATOM 0 H ILE A 7 5.080 -1.973 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 7 7.736 -0.962 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 7 6.556 -1.790 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.551 -3.424 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.862 -3.504 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.934 -1.930 -5.365 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.517 -0.281 -4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.438 -1.351 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.401 -5.260 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.240 -4.092 -4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.956 -4.011 -5.437 1.00 0.00 H new ATOM 128 N ILE A 8 7.284 1.431 -2.472 1.00 0.00 N ATOM 129 CA ILE A 8 7.041 2.853 -2.845 1.00 0.00 C ATOM 130 C ILE A 8 8.082 3.283 -3.884 1.00 0.00 C ATOM 131 O ILE A 8 9.260 3.369 -3.589 1.00 0.00 O ATOM 132 CB ILE A 8 7.176 3.700 -1.559 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.078 3.357 -0.539 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.005 5.177 -1.924 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.271 1.954 0.019 1.00 0.00 C ATOM 0 H ILE A 8 7.919 1.286 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 8 6.049 2.987 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 8 8.153 3.493 -1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.094 4.081 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.100 3.432 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.098 5.787 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.774 5.466 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.021 5.331 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.481 1.737 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.230 1.230 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.240 1.889 0.514 1.00 0.00 H new ATOM 147 N ASN A 9 7.660 3.553 -5.092 1.00 0.00 N ATOM 148 CA ASN A 9 8.630 3.978 -6.143 1.00 0.00 C ATOM 149 C ASN A 9 8.728 5.505 -6.182 1.00 0.00 C ATOM 150 O ASN A 9 7.781 6.205 -5.877 1.00 0.00 O ATOM 151 CB ASN A 9 8.063 3.433 -7.457 1.00 0.00 C ATOM 152 CG ASN A 9 9.016 3.773 -8.606 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.787 4.830 -9.336 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.978 3.069 -8.840 1.00 0.00 N flip ATOM 0 H ASN A 9 6.688 3.498 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 9 9.636 3.603 -5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.931 2.353 -7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.080 3.863 -7.647 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.156 2.243 -8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.607 3.304 -9.608 1.00 0.00 H new ATOM 161 N GLY A 10 9.872 6.024 -6.552 1.00 0.00 N ATOM 162 CA GLY A 10 10.045 7.505 -6.612 1.00 0.00 C ATOM 163 C GLY A 10 11.193 7.925 -5.692 1.00 0.00 C ATOM 164 O GLY A 10 12.350 7.677 -5.977 1.00 0.00 O ATOM 0 H GLY A 10 10.695 5.483 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.254 7.816 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.123 8.002 -6.310 1.00 0.00 H new ATOM 168 N LYS A 11 10.879 8.560 -4.591 1.00 0.00 N ATOM 169 CA LYS A 11 11.947 9.003 -3.644 1.00 0.00 C ATOM 170 C LYS A 11 11.335 9.406 -2.299 1.00 0.00 C ATOM 171 O LYS A 11 11.648 10.449 -1.754 1.00 0.00 O ATOM 172 CB LYS A 11 12.608 10.210 -4.324 1.00 0.00 C ATOM 173 CG LYS A 11 11.568 11.309 -4.574 1.00 0.00 C ATOM 174 CD LYS A 11 12.277 12.619 -4.924 1.00 0.00 C ATOM 175 CE LYS A 11 11.495 13.799 -4.339 1.00 0.00 C ATOM 176 NZ LYS A 11 10.669 14.310 -5.467 1.00 0.00 N ATOM 0 H LYS A 11 9.927 8.791 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 11 12.666 8.211 -3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.412 10.595 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.059 9.904 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.903 11.016 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.948 11.445 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.293 12.611 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.357 12.723 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.870 13.483 -3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.167 14.569 -3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.104 15.121 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.291 14.609 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.034 13.557 -5.802 1.00 0.00 H new ATOM 190 N THR A 12 10.465 8.589 -1.761 1.00 0.00 N ATOM 191 CA THR A 12 9.829 8.922 -0.448 1.00 0.00 C ATOM 192 C THR A 12 9.439 7.645 0.287 1.00 0.00 C ATOM 193 O THR A 12 8.649 6.859 -0.194 1.00 0.00 O ATOM 194 CB THR A 12 8.583 9.758 -0.781 1.00 0.00 C ATOM 195 OG1 THR A 12 8.770 10.449 -2.011 1.00 0.00 O ATOM 196 CG2 THR A 12 8.343 10.774 0.337 1.00 0.00 C ATOM 0 H THR A 12 10.167 7.705 -2.174 1.00 0.00 H new ATOM 0 HA THR A 12 10.511 9.471 0.202 1.00 0.00 H new ATOM 0 HB THR A 12 7.723 9.094 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.970 10.977 -2.214 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.460 11.369 0.104 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.189 10.248 1.279 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.209 11.430 0.425 1.00 0.00 H new ATOM 204 N LEU A 13 9.997 7.436 1.454 1.00 0.00 N ATOM 205 CA LEU A 13 9.679 6.210 2.249 1.00 0.00 C ATOM 206 C LEU A 13 9.915 4.939 1.395 1.00 0.00 C ATOM 207 O LEU A 13 9.351 3.896 1.643 1.00 0.00 O ATOM 208 CB LEU A 13 8.203 6.430 2.721 1.00 0.00 C ATOM 209 CG LEU A 13 7.178 5.553 1.984 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.975 4.234 2.741 1.00 0.00 C ATOM 211 CD2 LEU A 13 5.840 6.290 1.925 1.00 0.00 C ATOM 0 H LEU A 13 10.666 8.069 1.894 1.00 0.00 H new ATOM 0 HA LEU A 13 10.321 6.055 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.139 6.227 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.939 7.478 2.580 1.00 0.00 H new ATOM 0 HG LEU A 13 7.545 5.345 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.247 3.619 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.924 3.701 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.610 4.444 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.108 5.674 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.490 6.490 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.967 7.232 1.392 1.00 0.00 H new ATOM 223 N LYS A 14 10.759 5.031 0.389 1.00 0.00 N ATOM 224 CA LYS A 14 11.048 3.848 -0.492 1.00 0.00 C ATOM 225 C LYS A 14 11.323 2.583 0.337 1.00 0.00 C ATOM 226 O LYS A 14 12.346 2.464 0.983 1.00 0.00 O ATOM 227 CB LYS A 14 12.294 4.237 -1.290 1.00 0.00 C ATOM 228 CG LYS A 14 11.987 5.459 -2.157 1.00 0.00 C ATOM 229 CD LYS A 14 12.784 5.374 -3.461 1.00 0.00 C ATOM 230 CE LYS A 14 14.276 5.516 -3.158 1.00 0.00 C ATOM 231 NZ LYS A 14 14.966 5.078 -4.404 1.00 0.00 N ATOM 0 H LYS A 14 11.264 5.882 0.139 1.00 0.00 H new ATOM 0 HA LYS A 14 10.198 3.616 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.118 4.457 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.611 3.404 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.920 5.506 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.244 6.372 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.592 4.422 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.465 6.159 -4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.531 6.545 -2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.567 4.899 -2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.995 5.147 -4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.709 4.092 -4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.675 5.688 -5.195 1.00 0.00 H new ATOM 245 N GLY A 15 10.408 1.645 0.320 1.00 0.00 N ATOM 246 CA GLY A 15 10.599 0.388 1.103 1.00 0.00 C ATOM 247 C GLY A 15 9.386 -0.525 0.910 1.00 0.00 C ATOM 248 O GLY A 15 8.613 -0.355 -0.016 1.00 0.00 O ATOM 0 H GLY A 15 9.535 1.697 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.506 -0.121 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.727 0.622 2.160 1.00 0.00 H new ATOM 252 N GLU A 16 9.219 -1.495 1.775 1.00 0.00 N ATOM 253 CA GLU A 16 8.060 -2.431 1.649 1.00 0.00 C ATOM 254 C GLU A 16 7.042 -2.186 2.766 1.00 0.00 C ATOM 255 O GLU A 16 5.855 -2.340 2.570 1.00 0.00 O ATOM 256 CB GLU A 16 8.669 -3.828 1.777 1.00 0.00 C ATOM 257 CG GLU A 16 9.550 -4.114 0.560 1.00 0.00 C ATOM 258 CD GLU A 16 10.463 -5.304 0.860 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.007 -6.426 0.719 1.00 0.00 O ATOM 260 OE2 GLU A 16 11.604 -5.073 1.228 1.00 0.00 O ATOM 0 H GLU A 16 9.837 -1.679 2.565 1.00 0.00 H new ATOM 0 HA GLU A 16 7.527 -2.297 0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.259 -3.897 2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.879 -4.575 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.929 -4.329 -0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.148 -3.236 0.316 1.00 0.00 H new ATOM 267 N ILE A 17 7.506 -1.808 3.938 1.00 0.00 N ATOM 268 CA ILE A 17 6.591 -1.543 5.111 1.00 0.00 C ATOM 269 C ILE A 17 5.920 -2.843 5.586 1.00 0.00 C ATOM 270 O ILE A 17 6.104 -3.260 6.712 1.00 0.00 O ATOM 271 CB ILE A 17 5.528 -0.522 4.651 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.198 0.668 3.935 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.759 -0.011 5.871 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.203 1.357 4.869 1.00 0.00 C ATOM 0 H ILE A 17 8.496 -1.669 4.138 1.00 0.00 H new ATOM 0 HA ILE A 17 7.161 -1.148 5.952 1.00 0.00 H new ATOM 0 HB ILE A 17 4.845 -1.011 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.707 0.320 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.439 1.383 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.007 0.710 5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.270 -0.848 6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.451 0.469 6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.668 2.195 4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.685 1.722 5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.971 0.644 5.167 1.00 0.00 H new ATOM 286 N THR A 18 5.147 -3.480 4.741 1.00 0.00 N ATOM 287 CA THR A 18 4.454 -4.762 5.126 1.00 0.00 C ATOM 288 C THR A 18 3.481 -4.517 6.282 1.00 0.00 C ATOM 289 O THR A 18 3.881 -4.224 7.393 1.00 0.00 O ATOM 290 CB THR A 18 5.542 -5.797 5.533 1.00 0.00 C ATOM 291 OG1 THR A 18 5.839 -5.690 6.922 1.00 0.00 O ATOM 292 CG2 THR A 18 6.831 -5.606 4.719 1.00 0.00 C ATOM 0 H THR A 18 4.961 -3.167 3.788 1.00 0.00 H new ATOM 0 HA THR A 18 3.876 -5.144 4.285 1.00 0.00 H new ATOM 0 HB THR A 18 5.143 -6.789 5.322 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.584 -4.800 7.243 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.570 -6.345 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.614 -5.732 3.658 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.225 -4.605 4.892 1.00 0.00 H new ATOM 300 N ILE A 19 2.203 -4.644 6.020 1.00 0.00 N ATOM 301 CA ILE A 19 1.187 -4.430 7.099 1.00 0.00 C ATOM 302 C ILE A 19 0.021 -5.412 6.940 1.00 0.00 C ATOM 303 O ILE A 19 -0.518 -5.583 5.863 1.00 0.00 O ATOM 304 CB ILE A 19 0.708 -2.981 6.937 1.00 0.00 C ATOM 305 CG1 ILE A 19 0.087 -2.780 5.549 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.897 -2.032 7.102 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.433 -2.951 5.633 1.00 0.00 C ATOM 0 H ILE A 19 1.819 -4.886 5.107 1.00 0.00 H new ATOM 0 HA ILE A 19 1.607 -4.601 8.090 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.044 -2.769 7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.330 -1.787 5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.505 -3.500 4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.559 -1.002 6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.332 -2.163 8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.648 -2.254 6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.870 -2.807 4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.667 -3.953 5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.845 -2.214 6.323 1.00 0.00 H new ATOM 319 N GLU A 20 -0.369 -6.057 8.012 1.00 0.00 N ATOM 320 CA GLU A 20 -1.502 -7.033 7.939 1.00 0.00 C ATOM 321 C GLU A 20 -2.827 -6.295 7.725 1.00 0.00 C ATOM 322 O GLU A 20 -2.964 -5.138 8.074 1.00 0.00 O ATOM 323 CB GLU A 20 -1.499 -7.764 9.289 1.00 0.00 C ATOM 324 CG GLU A 20 -1.652 -6.756 10.436 1.00 0.00 C ATOM 325 CD GLU A 20 -2.530 -7.358 11.535 1.00 0.00 C ATOM 326 OE1 GLU A 20 -2.452 -8.558 11.737 1.00 0.00 O ATOM 327 OE2 GLU A 20 -3.266 -6.607 12.154 1.00 0.00 O ATOM 0 H GLU A 20 0.049 -5.950 8.936 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.390 -7.727 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.313 -8.489 9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.570 -8.322 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.673 -6.498 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.098 -5.833 10.065 1.00 0.00 H new ATOM 334 N ALA A 21 -3.801 -6.959 7.154 1.00 0.00 N ATOM 335 CA ALA A 21 -5.121 -6.302 6.912 1.00 0.00 C ATOM 336 C ALA A 21 -6.169 -7.343 6.509 1.00 0.00 C ATOM 337 O ALA A 21 -5.843 -8.440 6.098 1.00 0.00 O ATOM 338 CB ALA A 21 -4.872 -5.325 5.763 1.00 0.00 C ATOM 0 H ALA A 21 -3.738 -7.929 6.845 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.499 -5.800 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.797 -4.801 5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.111 -4.602 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.530 -5.874 4.886 1.00 0.00 H new ATOM 344 N VAL A 22 -7.429 -7.001 6.625 1.00 0.00 N ATOM 345 CA VAL A 22 -8.518 -7.957 6.253 1.00 0.00 C ATOM 346 C VAL A 22 -8.328 -8.460 4.814 1.00 0.00 C ATOM 347 O VAL A 22 -8.539 -9.622 4.521 1.00 0.00 O ATOM 348 CB VAL A 22 -9.822 -7.154 6.388 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.792 -5.947 5.445 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.015 -8.046 6.034 1.00 0.00 C ATOM 0 H VAL A 22 -7.752 -6.095 6.964 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.522 -8.842 6.890 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.919 -6.805 7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.719 -5.383 5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.948 -5.306 5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.688 -6.292 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.938 -7.474 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.913 -8.400 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.045 -8.900 6.711 1.00 0.00 H new ATOM 360 N ASP A 23 -7.926 -7.590 3.924 1.00 0.00 N ATOM 361 CA ASP A 23 -7.713 -7.998 2.505 1.00 0.00 C ATOM 362 C ASP A 23 -6.788 -6.994 1.819 1.00 0.00 C ATOM 363 O ASP A 23 -6.391 -6.009 2.415 1.00 0.00 O ATOM 364 CB ASP A 23 -9.103 -7.970 1.868 1.00 0.00 C ATOM 365 CG ASP A 23 -9.805 -9.308 2.110 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.560 -10.230 1.350 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.575 -9.387 3.053 1.00 0.00 O ATOM 0 H ASP A 23 -7.735 -6.608 4.122 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.251 -8.981 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.692 -7.157 2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.020 -7.779 0.798 1.00 0.00 H new ATOM 372 N ALA A 24 -6.442 -7.227 0.578 1.00 0.00 N ATOM 373 CA ALA A 24 -5.542 -6.268 -0.130 1.00 0.00 C ATOM 374 C ALA A 24 -6.252 -4.922 -0.280 1.00 0.00 C ATOM 375 O ALA A 24 -5.633 -3.876 -0.258 1.00 0.00 O ATOM 376 CB ALA A 24 -5.263 -6.887 -1.499 1.00 0.00 C ATOM 0 H ALA A 24 -6.741 -8.033 0.029 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.615 -6.093 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.606 -6.229 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.782 -7.856 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.202 -7.017 -2.037 1.00 0.00 H new ATOM 382 N ALA A 25 -7.557 -4.947 -0.422 1.00 0.00 N ATOM 383 CA ALA A 25 -8.330 -3.676 -0.563 1.00 0.00 C ATOM 384 C ALA A 25 -8.063 -2.770 0.642 1.00 0.00 C ATOM 385 O ALA A 25 -7.796 -1.593 0.500 1.00 0.00 O ATOM 386 CB ALA A 25 -9.802 -4.095 -0.601 1.00 0.00 C ATOM 0 H ALA A 25 -8.120 -5.797 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.048 -3.120 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.430 -3.210 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.970 -4.759 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.056 -4.615 0.323 1.00 0.00 H new ATOM 392 N GLU A 26 -8.116 -3.327 1.827 1.00 0.00 N ATOM 393 CA GLU A 26 -7.846 -2.517 3.051 1.00 0.00 C ATOM 394 C GLU A 26 -6.383 -2.081 3.047 1.00 0.00 C ATOM 395 O GLU A 26 -6.066 -0.935 3.308 1.00 0.00 O ATOM 396 CB GLU A 26 -8.131 -3.454 4.227 1.00 0.00 C ATOM 397 CG GLU A 26 -8.536 -2.630 5.451 1.00 0.00 C ATOM 398 CD GLU A 26 -9.903 -1.989 5.206 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.830 -2.718 4.894 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.000 -0.780 5.336 1.00 0.00 O ATOM 0 H GLU A 26 -8.335 -4.309 1.998 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.458 -1.617 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.927 -4.151 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.247 -4.050 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.574 -3.267 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.791 -1.859 5.646 1.00 0.00 H new ATOM 407 N ALA A 27 -5.488 -2.987 2.731 1.00 0.00 N ATOM 408 CA ALA A 27 -4.032 -2.635 2.680 1.00 0.00 C ATOM 409 C ALA A 27 -3.823 -1.450 1.737 1.00 0.00 C ATOM 410 O ALA A 27 -3.135 -0.501 2.060 1.00 0.00 O ATOM 411 CB ALA A 27 -3.329 -3.880 2.130 1.00 0.00 C ATOM 0 H ALA A 27 -5.704 -3.958 2.505 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.642 -2.352 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.257 -3.694 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.511 -4.724 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.718 -4.109 1.138 1.00 0.00 H new ATOM 417 N GLU A 28 -4.435 -1.494 0.575 1.00 0.00 N ATOM 418 CA GLU A 28 -4.295 -0.364 -0.390 1.00 0.00 C ATOM 419 C GLU A 28 -4.801 0.927 0.258 1.00 0.00 C ATOM 420 O GLU A 28 -4.237 1.979 0.064 1.00 0.00 O ATOM 421 CB GLU A 28 -5.156 -0.738 -1.600 1.00 0.00 C ATOM 422 CG GLU A 28 -4.688 0.056 -2.826 1.00 0.00 C ATOM 423 CD GLU A 28 -5.847 0.199 -3.815 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.275 -0.813 -4.345 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.287 1.317 -4.024 1.00 0.00 O ATOM 0 H GLU A 28 -5.024 -2.264 0.257 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.259 -0.198 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.081 -1.808 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.205 -0.524 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.333 1.040 -2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.850 -0.452 -3.303 1.00 0.00 H new ATOM 432 N LYS A 29 -5.847 0.844 1.048 1.00 0.00 N ATOM 433 CA LYS A 29 -6.368 2.070 1.730 1.00 0.00 C ATOM 434 C LYS A 29 -5.359 2.523 2.789 1.00 0.00 C ATOM 435 O LYS A 29 -4.938 3.666 2.819 1.00 0.00 O ATOM 436 CB LYS A 29 -7.685 1.647 2.383 1.00 0.00 C ATOM 437 CG LYS A 29 -8.736 1.377 1.300 1.00 0.00 C ATOM 438 CD LYS A 29 -10.101 1.889 1.767 1.00 0.00 C ATOM 439 CE LYS A 29 -10.323 3.308 1.239 1.00 0.00 C ATOM 440 NZ LYS A 29 -11.161 3.136 0.020 1.00 0.00 N ATOM 0 H LYS A 29 -6.359 -0.015 1.248 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.520 2.901 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.532 0.752 2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.036 2.429 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.450 1.870 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.790 0.309 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.891 1.229 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.150 1.883 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.825 3.931 1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.377 3.794 1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.357 4.067 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.654 2.544 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.058 2.677 0.277 1.00 0.00 H new ATOM 454 N ILE A 30 -4.947 1.616 3.644 1.00 0.00 N ATOM 455 CA ILE A 30 -3.940 1.963 4.698 1.00 0.00 C ATOM 456 C ILE A 30 -2.674 2.482 4.016 1.00 0.00 C ATOM 457 O ILE A 30 -2.039 3.412 4.473 1.00 0.00 O ATOM 458 CB ILE A 30 -3.655 0.646 5.435 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.943 0.123 6.078 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.609 0.874 6.532 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.866 -1.403 6.209 1.00 0.00 C ATOM 0 H ILE A 30 -5.266 0.647 3.657 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.291 2.733 5.386 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.278 -0.082 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.082 0.576 7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.805 0.404 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.413 -0.065 7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.686 1.241 6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.983 1.609 7.244 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.782 -1.776 6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.747 -1.847 5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.014 -1.672 6.833 1.00 0.00 H new ATOM 473 N PHE A 31 -2.321 1.879 2.913 1.00 0.00 N ATOM 474 CA PHE A 31 -1.111 2.318 2.161 1.00 0.00 C ATOM 475 C PHE A 31 -1.405 3.631 1.425 1.00 0.00 C ATOM 476 O PHE A 31 -0.568 4.510 1.348 1.00 0.00 O ATOM 477 CB PHE A 31 -0.838 1.188 1.160 1.00 0.00 C ATOM 478 CG PHE A 31 -0.033 0.089 1.813 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.133 0.393 2.528 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.450 -1.242 1.689 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.880 -0.633 3.120 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.295 -2.267 2.282 1.00 0.00 C ATOM 483 CZ PHE A 31 1.460 -1.963 2.998 1.00 0.00 C ATOM 0 H PHE A 31 -2.824 1.095 2.498 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.256 2.499 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.781 0.786 0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.298 1.580 0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.456 1.419 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.347 -1.477 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.779 -0.399 3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.028 -3.293 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.034 -2.755 3.456 1.00 0.00 H new ATOM 493 N LYS A 32 -2.588 3.761 0.873 1.00 0.00 N ATOM 494 CA LYS A 32 -2.951 5.002 0.126 1.00 0.00 C ATOM 495 C LYS A 32 -3.272 6.167 1.071 1.00 0.00 C ATOM 496 O LYS A 32 -3.563 7.261 0.622 1.00 0.00 O ATOM 497 CB LYS A 32 -4.189 4.645 -0.697 1.00 0.00 C ATOM 498 CG LYS A 32 -3.786 3.796 -1.909 1.00 0.00 C ATOM 499 CD LYS A 32 -3.936 4.619 -3.195 1.00 0.00 C ATOM 500 CE LYS A 32 -5.423 4.854 -3.492 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.696 4.088 -4.742 1.00 0.00 N ATOM 0 H LYS A 32 -3.322 3.053 0.910 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.117 5.330 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.901 4.097 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.689 5.554 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.755 3.458 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.410 2.904 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.422 5.574 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.467 4.096 -4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.049 4.504 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.635 5.915 -3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.550 4.465 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.887 4.179 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.842 3.085 -4.510 1.00 0.00 H new ATOM 515 N GLN A 33 -3.185 5.968 2.363 1.00 0.00 N ATOM 516 CA GLN A 33 -3.446 7.098 3.311 1.00 0.00 C ATOM 517 C GLN A 33 -2.100 7.438 3.921 1.00 0.00 C ATOM 518 O GLN A 33 -1.673 8.574 3.987 1.00 0.00 O ATOM 519 CB GLN A 33 -4.411 6.547 4.362 1.00 0.00 C ATOM 520 CG GLN A 33 -4.838 7.673 5.305 1.00 0.00 C ATOM 521 CD GLN A 33 -6.176 7.315 5.957 1.00 0.00 C ATOM 522 OE1 GLN A 33 -7.192 7.261 5.293 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.219 7.069 7.237 1.00 0.00 N ATOM 0 H GLN A 33 -2.946 5.078 2.801 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.877 7.989 2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.286 6.114 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.932 5.747 4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.078 7.828 6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.929 8.609 4.753 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.366 7.114 7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.106 6.831 7.681 1.00 0.00 H new ATOM 532 N TYR A 34 -1.414 6.404 4.300 1.00 0.00 N ATOM 533 CA TYR A 34 -0.043 6.512 4.852 1.00 0.00 C ATOM 534 C TYR A 34 0.843 7.303 3.864 1.00 0.00 C ATOM 535 O TYR A 34 1.661 8.115 4.251 1.00 0.00 O ATOM 536 CB TYR A 34 0.346 5.032 4.922 1.00 0.00 C ATOM 537 CG TYR A 34 1.837 4.850 5.103 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.501 5.518 6.138 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.548 4.004 4.245 1.00 0.00 C ATOM 540 CE1 TYR A 34 3.878 5.342 6.315 1.00 0.00 C ATOM 541 CE2 TYR A 34 3.926 3.829 4.421 1.00 0.00 C ATOM 542 CZ TYR A 34 4.591 4.497 5.457 1.00 0.00 C ATOM 543 OH TYR A 34 5.948 4.321 5.633 1.00 0.00 O ATOM 0 H TYR A 34 -1.764 5.447 4.247 1.00 0.00 H new ATOM 0 HA TYR A 34 0.053 7.032 5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.181 4.557 5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.027 4.529 4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.951 6.170 6.800 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.035 3.487 3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.390 5.858 7.113 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.476 3.179 3.757 1.00 0.00 H new ATOM 0 HH TYR A 34 6.108 3.808 6.452 1.00 0.00 H new ATOM 553 N ALA A 35 0.656 7.068 2.587 1.00 0.00 N ATOM 554 CA ALA A 35 1.450 7.797 1.545 1.00 0.00 C ATOM 555 C ALA A 35 1.126 9.293 1.593 1.00 0.00 C ATOM 556 O ALA A 35 2.006 10.122 1.712 1.00 0.00 O ATOM 557 CB ALA A 35 0.990 7.209 0.210 1.00 0.00 C ATOM 0 H ALA A 35 -0.018 6.397 2.218 1.00 0.00 H new ATOM 0 HA ALA A 35 2.524 7.688 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.528 7.693 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.194 6.138 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.080 7.376 0.088 1.00 0.00 H new ATOM 563 N ASN A 36 -0.135 9.637 1.494 1.00 0.00 N ATOM 564 CA ASN A 36 -0.534 11.081 1.524 1.00 0.00 C ATOM 565 C ASN A 36 -0.035 11.754 2.805 1.00 0.00 C ATOM 566 O ASN A 36 0.550 12.820 2.769 1.00 0.00 O ATOM 567 CB ASN A 36 -2.061 11.078 1.490 1.00 0.00 C ATOM 568 CG ASN A 36 -2.542 10.927 0.045 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.911 11.896 -0.587 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.553 9.745 -0.506 1.00 0.00 N ATOM 0 H ASN A 36 -0.908 8.979 1.393 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.105 11.634 0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.447 10.261 2.100 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.446 12.004 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.872 9.634 -1.469 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.243 8.932 0.026 1.00 0.00 H new ATOM 577 N ASP A 37 -0.265 11.137 3.938 1.00 0.00 N ATOM 578 CA ASP A 37 0.192 11.738 5.233 1.00 0.00 C ATOM 579 C ASP A 37 1.702 11.991 5.213 1.00 0.00 C ATOM 580 O ASP A 37 2.212 12.811 5.954 1.00 0.00 O ATOM 581 CB ASP A 37 -0.166 10.705 6.304 1.00 0.00 C ATOM 582 CG ASP A 37 -0.084 11.353 7.687 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.040 12.007 8.070 1.00 0.00 O ATOM 584 OD2 ASP A 37 0.933 11.185 8.339 1.00 0.00 O ATOM 0 H ASP A 37 -0.749 10.243 4.024 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.281 12.702 5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.171 10.319 6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.515 9.856 6.248 1.00 0.00 H new ATOM 589 N ASN A 38 2.412 11.295 4.370 1.00 0.00 N ATOM 590 CA ASN A 38 3.882 11.481 4.284 1.00 0.00 C ATOM 591 C ASN A 38 4.238 12.323 3.055 1.00 0.00 C ATOM 592 O ASN A 38 5.229 13.029 3.043 1.00 0.00 O ATOM 593 CB ASN A 38 4.455 10.068 4.154 1.00 0.00 C ATOM 594 CG ASN A 38 5.981 10.128 4.247 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.666 10.042 3.247 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.546 10.272 5.414 1.00 0.00 N ATOM 0 H ASN A 38 2.030 10.598 3.731 1.00 0.00 H new ATOM 0 HA ASN A 38 4.284 12.003 5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.057 9.428 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.155 9.628 3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.563 10.312 5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.971 10.344 6.253 1.00 0.00 H new ATOM 603 N GLY A 39 3.432 12.253 2.026 1.00 0.00 N ATOM 604 CA GLY A 39 3.711 13.046 0.793 1.00 0.00 C ATOM 605 C GLY A 39 3.993 12.103 -0.379 1.00 0.00 C ATOM 606 O GLY A 39 4.782 12.408 -1.253 1.00 0.00 O ATOM 0 H GLY A 39 2.590 11.678 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.859 13.685 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.566 13.702 0.957 1.00 0.00 H new ATOM 610 N ILE A 40 3.351 10.960 -0.406 1.00 0.00 N ATOM 611 CA ILE A 40 3.575 9.994 -1.523 1.00 0.00 C ATOM 612 C ILE A 40 2.364 10.016 -2.459 1.00 0.00 C ATOM 613 O ILE A 40 1.263 9.663 -2.082 1.00 0.00 O ATOM 614 CB ILE A 40 3.781 8.639 -0.812 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.264 8.484 -0.513 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.326 7.443 -1.653 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.620 9.441 0.609 1.00 0.00 C ATOM 0 H ILE A 40 2.680 10.655 0.300 1.00 0.00 H new ATOM 0 HA ILE A 40 4.432 10.224 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 40 3.174 8.645 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.489 7.457 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.856 8.702 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.497 6.521 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.264 7.539 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.893 7.416 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.681 9.349 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.404 10.463 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.031 9.199 1.494 1.00 0.00 H new ATOM 629 N ASP A 41 2.577 10.439 -3.671 1.00 0.00 N ATOM 630 CA ASP A 41 1.450 10.503 -4.653 1.00 0.00 C ATOM 631 C ASP A 41 1.960 10.421 -6.098 1.00 0.00 C ATOM 632 O ASP A 41 2.499 11.373 -6.630 1.00 0.00 O ATOM 633 CB ASP A 41 0.791 11.859 -4.399 1.00 0.00 C ATOM 634 CG ASP A 41 -0.580 11.897 -5.079 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.354 10.980 -4.858 1.00 0.00 O ATOM 636 OD2 ASP A 41 -0.831 12.842 -5.809 1.00 0.00 O ATOM 0 H ASP A 41 3.482 10.745 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 41 0.760 9.669 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.682 12.027 -3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.422 12.660 -4.785 1.00 0.00 H new ATOM 641 N GLY A 42 1.775 9.291 -6.737 1.00 0.00 N ATOM 642 CA GLY A 42 2.226 9.135 -8.154 1.00 0.00 C ATOM 643 C GLY A 42 1.379 8.061 -8.846 1.00 0.00 C ATOM 644 O GLY A 42 0.291 8.331 -9.321 1.00 0.00 O ATOM 0 H GLY A 42 1.329 8.467 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.132 10.083 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.279 8.857 -8.183 1.00 0.00 H new ATOM 648 N GLU A 43 1.871 6.846 -8.914 1.00 0.00 N ATOM 649 CA GLU A 43 1.095 5.751 -9.588 1.00 0.00 C ATOM 650 C GLU A 43 0.912 4.546 -8.651 1.00 0.00 C ATOM 651 O GLU A 43 1.864 4.031 -8.108 1.00 0.00 O ATOM 652 CB GLU A 43 1.947 5.356 -10.795 1.00 0.00 C ATOM 653 CG GLU A 43 1.040 4.860 -11.923 1.00 0.00 C ATOM 654 CD GLU A 43 0.612 6.044 -12.793 1.00 0.00 C ATOM 655 OE1 GLU A 43 0.346 7.097 -12.236 1.00 0.00 O ATOM 656 OE2 GLU A 43 0.556 5.877 -14.000 1.00 0.00 O ATOM 0 H GLU A 43 2.774 6.564 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 43 0.094 6.079 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.533 6.210 -11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.654 4.576 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.566 4.122 -12.528 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.163 4.365 -11.507 1.00 0.00 H new ATOM 663 N TRP A 44 -0.309 4.093 -8.473 1.00 0.00 N ATOM 664 CA TRP A 44 -0.572 2.915 -7.577 1.00 0.00 C ATOM 665 C TRP A 44 -0.889 1.667 -8.397 1.00 0.00 C ATOM 666 O TRP A 44 -1.642 1.714 -9.352 1.00 0.00 O ATOM 667 CB TRP A 44 -1.802 3.306 -6.759 1.00 0.00 C ATOM 668 CG TRP A 44 -1.381 4.132 -5.599 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.240 5.476 -5.600 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.043 3.681 -4.267 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.830 5.879 -4.342 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.692 4.804 -3.485 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.005 2.411 -3.669 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.313 4.674 -2.152 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.624 2.275 -2.325 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.277 3.407 -1.569 1.00 0.00 C ATOM 0 H TRP A 44 -1.140 4.490 -8.912 1.00 0.00 H new ATOM 0 HA TRP A 44 0.295 2.685 -6.958 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.504 3.863 -7.380 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.322 2.412 -6.414 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.418 6.127 -6.443 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.652 6.848 -4.080 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.270 1.536 -4.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.049 5.547 -1.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.597 1.296 -1.870 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.018 3.296 -0.536 1.00 0.00 H new ATOM 687 N THR A 45 -0.334 0.548 -8.014 1.00 0.00 N ATOM 688 CA THR A 45 -0.610 -0.725 -8.747 1.00 0.00 C ATOM 689 C THR A 45 -0.584 -1.879 -7.758 1.00 0.00 C ATOM 690 O THR A 45 0.330 -2.000 -6.967 1.00 0.00 O ATOM 691 CB THR A 45 0.508 -0.907 -9.787 1.00 0.00 C ATOM 692 OG1 THR A 45 1.695 -1.342 -9.141 1.00 0.00 O ATOM 693 CG2 THR A 45 0.781 0.407 -10.517 1.00 0.00 C ATOM 0 H THR A 45 0.302 0.459 -7.221 1.00 0.00 H new ATOM 0 HA THR A 45 -1.584 -0.698 -9.235 1.00 0.00 H new ATOM 0 HB THR A 45 0.188 -1.654 -10.513 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.568 -1.313 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.575 0.258 -11.249 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.125 0.735 -11.026 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.088 1.166 -9.797 1.00 0.00 H new ATOM 701 N TYR A 46 -1.569 -2.727 -7.802 1.00 0.00 N ATOM 702 CA TYR A 46 -1.599 -3.884 -6.861 1.00 0.00 C ATOM 703 C TYR A 46 -1.075 -5.142 -7.565 1.00 0.00 C ATOM 704 O TYR A 46 -1.303 -5.347 -8.743 1.00 0.00 O ATOM 705 CB TYR A 46 -3.073 -4.043 -6.454 1.00 0.00 C ATOM 706 CG TYR A 46 -3.248 -5.316 -5.650 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.493 -5.518 -4.490 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.149 -6.299 -6.078 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.638 -6.701 -3.755 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.296 -7.482 -5.342 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.540 -7.682 -4.182 1.00 0.00 C ATOM 712 OH TYR A 46 -3.683 -8.849 -3.458 1.00 0.00 O ATOM 0 H TYR A 46 -2.356 -2.672 -8.448 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.967 -3.727 -5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.392 -3.183 -5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.704 -4.073 -7.342 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.797 -4.760 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.730 -6.145 -6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.054 -6.856 -2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.993 -8.239 -5.670 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.350 -9.423 -3.890 1.00 0.00 H new ATOM 722 N ASP A 47 -0.387 -5.984 -6.841 1.00 0.00 N ATOM 723 CA ASP A 47 0.144 -7.239 -7.444 1.00 0.00 C ATOM 724 C ASP A 47 -0.519 -8.447 -6.783 1.00 0.00 C ATOM 725 O ASP A 47 -0.135 -8.865 -5.705 1.00 0.00 O ATOM 726 CB ASP A 47 1.646 -7.223 -7.155 1.00 0.00 C ATOM 727 CG ASP A 47 2.287 -6.019 -7.848 1.00 0.00 C ATOM 728 OD1 ASP A 47 1.964 -4.903 -7.474 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.089 -6.233 -8.742 1.00 0.00 O ATOM 0 H ASP A 47 -0.169 -5.855 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.056 -7.304 -8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.820 -7.172 -6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.105 -8.146 -7.509 1.00 0.00 H new ATOM 734 N ASP A 48 -1.514 -9.011 -7.424 1.00 0.00 N ATOM 735 CA ASP A 48 -2.217 -10.197 -6.843 1.00 0.00 C ATOM 736 C ASP A 48 -1.320 -11.445 -6.867 1.00 0.00 C ATOM 737 O ASP A 48 -1.676 -12.478 -6.329 1.00 0.00 O ATOM 738 CB ASP A 48 -3.449 -10.406 -7.726 1.00 0.00 C ATOM 739 CG ASP A 48 -4.339 -11.489 -7.114 1.00 0.00 C ATOM 740 OD1 ASP A 48 -3.990 -12.652 -7.232 1.00 0.00 O ATOM 741 OD2 ASP A 48 -5.355 -11.137 -6.537 1.00 0.00 O ATOM 0 H ASP A 48 -1.870 -8.700 -8.328 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.481 -10.031 -5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.005 -9.473 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.144 -10.697 -8.731 1.00 0.00 H new ATOM 746 N ALA A 49 -0.162 -11.360 -7.474 1.00 0.00 N ATOM 747 CA ALA A 49 0.757 -12.533 -7.521 1.00 0.00 C ATOM 748 C ALA A 49 1.733 -12.468 -6.345 1.00 0.00 C ATOM 749 O ALA A 49 2.224 -13.478 -5.879 1.00 0.00 O ATOM 750 CB ALA A 49 1.505 -12.401 -8.848 1.00 0.00 C ATOM 0 H ALA A 49 0.186 -10.522 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 49 0.227 -13.483 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.203 -13.231 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.791 -12.418 -9.671 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.055 -11.460 -8.864 1.00 0.00 H new ATOM 756 N THR A 50 2.004 -11.283 -5.855 1.00 0.00 N ATOM 757 CA THR A 50 2.931 -11.140 -4.699 1.00 0.00 C ATOM 758 C THR A 50 2.238 -10.385 -3.557 1.00 0.00 C ATOM 759 O THR A 50 2.854 -10.064 -2.559 1.00 0.00 O ATOM 760 CB THR A 50 4.112 -10.331 -5.237 1.00 0.00 C ATOM 761 OG1 THR A 50 3.642 -9.087 -5.737 1.00 0.00 O ATOM 762 CG2 THR A 50 4.794 -11.111 -6.361 1.00 0.00 C ATOM 0 H THR A 50 1.619 -10.408 -6.210 1.00 0.00 H new ATOM 0 HA THR A 50 3.246 -12.104 -4.299 1.00 0.00 H new ATOM 0 HB THR A 50 4.828 -10.153 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.398 -8.566 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.636 -10.535 -6.745 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.153 -12.065 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.080 -11.290 -7.165 1.00 0.00 H new ATOM 770 N LYS A 51 0.958 -10.088 -3.695 1.00 0.00 N ATOM 771 CA LYS A 51 0.225 -9.341 -2.619 1.00 0.00 C ATOM 772 C LYS A 51 0.963 -8.045 -2.285 1.00 0.00 C ATOM 773 O LYS A 51 1.059 -7.648 -1.138 1.00 0.00 O ATOM 774 CB LYS A 51 0.202 -10.276 -1.403 1.00 0.00 C ATOM 775 CG LYS A 51 -0.513 -11.582 -1.768 1.00 0.00 C ATOM 776 CD LYS A 51 -1.962 -11.530 -1.277 1.00 0.00 C ATOM 777 CE LYS A 51 -2.487 -12.955 -1.087 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.129 -13.304 -2.384 1.00 0.00 N ATOM 0 H LYS A 51 0.393 -10.333 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.783 -9.068 -2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.220 -10.487 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.307 -9.792 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.490 -11.732 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.004 -12.429 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.019 -10.981 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.582 -10.995 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.678 -13.645 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.202 -13.006 -0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.514 -14.269 -2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.900 -12.634 -2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.423 -13.253 -3.146 1.00 0.00 H new ATOM 792 N THR A 52 1.499 -7.391 -3.285 1.00 0.00 N ATOM 793 CA THR A 52 2.247 -6.122 -3.032 1.00 0.00 C ATOM 794 C THR A 52 1.728 -4.996 -3.931 1.00 0.00 C ATOM 795 O THR A 52 1.379 -5.211 -5.074 1.00 0.00 O ATOM 796 CB THR A 52 3.702 -6.449 -3.373 1.00 0.00 C ATOM 797 OG1 THR A 52 4.034 -7.727 -2.847 1.00 0.00 O ATOM 798 CG2 THR A 52 4.621 -5.390 -2.761 1.00 0.00 C ATOM 0 H THR A 52 1.451 -7.680 -4.262 1.00 0.00 H new ATOM 0 HA THR A 52 2.130 -5.778 -2.004 1.00 0.00 H new ATOM 0 HB THR A 52 3.829 -6.456 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.965 -7.939 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.658 -5.623 -3.004 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.366 -4.410 -3.164 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.495 -5.381 -1.678 1.00 0.00 H new ATOM 806 N PHE A 53 1.687 -3.793 -3.416 1.00 0.00 N ATOM 807 CA PHE A 53 1.206 -2.637 -4.228 1.00 0.00 C ATOM 808 C PHE A 53 2.418 -1.877 -4.793 1.00 0.00 C ATOM 809 O PHE A 53 3.539 -2.332 -4.663 1.00 0.00 O ATOM 810 CB PHE A 53 0.411 -1.774 -3.245 1.00 0.00 C ATOM 811 CG PHE A 53 -0.873 -2.482 -2.868 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.865 -3.459 -1.862 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.073 -2.164 -3.522 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.053 -4.116 -1.511 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.256 -2.824 -3.169 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.247 -3.797 -2.165 1.00 0.00 C ATOM 0 H PHE A 53 1.968 -3.562 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 53 0.592 -2.931 -5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.006 -1.580 -2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.186 -0.807 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.057 -3.706 -1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.084 -1.411 -4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.046 -4.868 -0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.179 -2.581 -3.674 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.162 -4.302 -1.895 1.00 0.00 H new ATOM 826 N THR A 54 2.220 -0.730 -5.412 1.00 0.00 N ATOM 827 CA THR A 54 3.379 0.031 -5.964 1.00 0.00 C ATOM 828 C THR A 54 2.952 1.478 -6.114 1.00 0.00 C ATOM 829 O THR A 54 2.277 1.835 -7.058 1.00 0.00 O ATOM 830 CB THR A 54 3.694 -0.582 -7.336 1.00 0.00 C ATOM 831 OG1 THR A 54 3.319 -1.953 -7.363 1.00 0.00 O ATOM 832 CG2 THR A 54 5.193 -0.462 -7.610 1.00 0.00 C ATOM 0 H THR A 54 1.308 -0.296 -5.555 1.00 0.00 H new ATOM 0 HA THR A 54 4.259 -0.016 -5.322 1.00 0.00 H new ATOM 0 HB THR A 54 3.131 -0.047 -8.101 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.988 -2.184 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.421 -0.896 -8.583 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.481 0.589 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.748 -0.993 -6.837 1.00 0.00 H new ATOM 840 N VAL A 55 3.320 2.302 -5.178 1.00 0.00 N ATOM 841 CA VAL A 55 2.907 3.736 -5.244 1.00 0.00 C ATOM 842 C VAL A 55 4.063 4.623 -5.716 1.00 0.00 C ATOM 843 O VAL A 55 4.907 5.038 -4.946 1.00 0.00 O ATOM 844 CB VAL A 55 2.419 4.114 -3.824 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.440 3.711 -2.758 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.176 5.625 -3.737 1.00 0.00 C ATOM 0 H VAL A 55 3.888 2.050 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 55 2.110 3.888 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 55 1.490 3.575 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.067 3.990 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.597 2.633 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.384 4.222 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.833 5.881 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.104 6.156 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.418 5.914 -4.465 1.00 0.00 H new ATOM 856 N THR A 56 4.072 4.938 -6.982 1.00 0.00 N ATOM 857 CA THR A 56 5.130 5.829 -7.528 1.00 0.00 C ATOM 858 C THR A 56 4.832 7.257 -7.045 1.00 0.00 C ATOM 859 O THR A 56 3.777 7.518 -6.497 1.00 0.00 O ATOM 860 CB THR A 56 5.019 5.656 -9.066 1.00 0.00 C ATOM 861 OG1 THR A 56 5.926 4.646 -9.481 1.00 0.00 O ATOM 862 CG2 THR A 56 5.343 6.953 -9.821 1.00 0.00 C ATOM 0 H THR A 56 3.387 4.614 -7.664 1.00 0.00 H new ATOM 0 HA THR A 56 6.146 5.602 -7.206 1.00 0.00 H new ATOM 0 HB THR A 56 3.990 5.383 -9.297 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.844 4.980 -9.405 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.252 6.782 -10.894 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.646 7.734 -9.518 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.361 7.265 -9.589 1.00 0.00 H new ATOM 870 N GLU A 57 5.748 8.169 -7.235 1.00 0.00 N ATOM 871 CA GLU A 57 5.513 9.570 -6.779 1.00 0.00 C ATOM 872 C GLU A 57 5.935 10.559 -7.870 1.00 0.00 C ATOM 873 O GLU A 57 5.093 11.329 -8.302 1.00 0.00 O ATOM 874 CB GLU A 57 6.391 9.731 -5.538 1.00 0.00 C ATOM 875 CG GLU A 57 6.108 11.083 -4.881 1.00 0.00 C ATOM 876 CD GLU A 57 7.082 12.129 -5.425 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.256 11.818 -5.532 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.636 13.225 -5.727 1.00 0.00 O ATOM 879 OXT GLU A 57 7.092 10.528 -8.254 1.00 0.00 O ATOM 0 H GLU A 57 6.648 8.005 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 57 4.463 9.766 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.193 8.924 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.443 9.662 -5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.081 11.388 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.212 11.002 -3.799 1.00 0.00 H new TER 886 GLU A 57