USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 461 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 151:sc= -0.763 (180deg=-0.983) USER MOD Single : A 1 MET N :NH3+ -94:sc= 0.0299 (180deg=-0.0134) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.513 (180deg=-1.2) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -100:sc= 0.994 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= 0.204 (180deg=-0.981!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc=-0.000396 X(o=-0.0004,f=0) USER MOD Single : A 35 ASN :FLIP amide:sc=-0.00788 F(o=-1.6,f=-0.0079) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0186 USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 1.01 (180deg=0.957) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -125:sc= 0.969 (180deg=-1.61!) USER MOD Single : A 51 ASN : amide:sc= -4.19 K(o=-4.2,f=-11!) USER MOD Single : A 52 TYR OH : rot -51:sc= 1.11 USER MOD Single : B 1 VAL N :NH3+ 151:sc= -0.15 (180deg=-0.564) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.218 2.835 4.638 1.00 0.00 N ATOM 2 CA MET A 1 7.354 1.444 4.231 1.00 0.00 C ATOM 3 C MET A 1 7.152 1.301 2.714 1.00 0.00 C ATOM 4 O MET A 1 6.452 2.085 2.079 1.00 0.00 O ATOM 5 CB MET A 1 6.272 0.671 5.002 1.00 0.00 C ATOM 6 CG MET A 1 6.151 -0.815 4.642 1.00 0.00 C ATOM 7 SD MET A 1 4.944 -1.661 5.678 1.00 0.00 S ATOM 8 CE MET A 1 3.446 -1.167 4.811 1.00 0.00 C ATOM 0 H1 MET A 1 8.156 3.284 4.660 1.00 0.00 H new ATOM 0 H2 MET A 1 6.610 3.337 3.960 1.00 0.00 H new ATOM 0 H3 MET A 1 6.791 2.879 5.585 1.00 0.00 H new ATOM 0 HA MET A 1 8.349 1.059 4.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.479 0.754 6.069 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.309 1.151 4.825 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.863 -0.913 3.595 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.123 -1.295 4.751 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.683 -1.936 4.935 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.082 -0.225 5.221 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.664 -1.041 3.751 1.00 0.00 H new ATOM 18 N GLU A 2 7.829 0.242 2.199 1.00 0.00 N ATOM 19 CA GLU A 2 7.747 -0.063 0.772 1.00 0.00 C ATOM 20 C GLU A 2 6.552 -0.994 0.534 1.00 0.00 C ATOM 21 O GLU A 2 6.499 -2.125 1.003 1.00 0.00 O ATOM 22 CB GLU A 2 9.068 -0.680 0.284 1.00 0.00 C ATOM 23 CG GLU A 2 10.095 0.395 -0.118 1.00 0.00 C ATOM 24 CD GLU A 2 9.727 1.060 -1.460 1.00 0.00 C ATOM 25 OE1 GLU A 2 10.090 0.516 -2.504 1.00 0.00 O ATOM 26 OE2 GLU A 2 9.092 2.116 -1.447 1.00 0.00 O ATOM 0 H GLU A 2 8.417 -0.390 2.742 1.00 0.00 H new ATOM 0 HA GLU A 2 7.592 0.850 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.488 -1.306 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.871 -1.330 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.151 1.155 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.084 -0.057 -0.195 1.00 0.00 H new ATOM 33 N ALA A 3 5.605 -0.405 -0.224 1.00 0.00 N ATOM 34 CA ALA A 3 4.364 -1.058 -0.592 1.00 0.00 C ATOM 35 C ALA A 3 4.448 -1.531 -2.045 1.00 0.00 C ATOM 36 O ALA A 3 5.009 -0.869 -2.907 1.00 0.00 O ATOM 37 CB ALA A 3 3.249 -0.035 -0.406 1.00 0.00 C ATOM 0 H ALA A 3 5.695 0.542 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 3 4.170 -1.934 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.293 -0.486 -0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.220 0.287 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.435 0.827 -1.047 1.00 0.00 H new ATOM 43 N ILE A 4 3.845 -2.724 -2.235 1.00 0.00 N ATOM 44 CA ILE A 4 3.835 -3.380 -3.532 1.00 0.00 C ATOM 45 C ILE A 4 2.521 -4.161 -3.652 1.00 0.00 C ATOM 46 O ILE A 4 2.327 -5.167 -2.987 1.00 0.00 O ATOM 47 CB ILE A 4 5.044 -4.337 -3.589 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.380 -3.556 -3.579 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.975 -5.298 -4.793 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.621 -4.405 -3.874 1.00 0.00 C ATOM 0 H ILE A 4 3.363 -3.241 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 4 3.905 -2.665 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 4 5.001 -4.950 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.322 -2.754 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.502 -3.085 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.848 -5.950 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.070 -5.902 -4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.958 -4.722 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.509 -3.774 -3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.711 -5.191 -3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.527 -4.855 -4.862 1.00 0.00 H new ATOM 62 N ALA A 5 1.650 -3.670 -4.547 1.00 0.00 N ATOM 63 CA ALA A 5 0.367 -4.320 -4.762 1.00 0.00 C ATOM 64 C ALA A 5 0.578 -5.724 -5.371 1.00 0.00 C ATOM 65 O ALA A 5 1.245 -5.907 -6.382 1.00 0.00 O ATOM 66 CB ALA A 5 -0.435 -3.475 -5.753 1.00 0.00 C ATOM 0 H ALA A 5 1.814 -2.841 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.158 -4.416 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.403 -3.943 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.585 -2.477 -5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.111 -3.402 -6.694 1.00 0.00 H new ATOM 72 N LYS A 6 -0.067 -6.681 -4.691 1.00 0.00 N ATOM 73 CA LYS A 6 -0.038 -8.088 -5.069 1.00 0.00 C ATOM 74 C LYS A 6 -1.145 -8.406 -6.069 1.00 0.00 C ATOM 75 O LYS A 6 -1.032 -9.338 -6.850 1.00 0.00 O ATOM 76 CB LYS A 6 -0.332 -8.936 -3.843 1.00 0.00 C ATOM 77 CG LYS A 6 0.787 -8.837 -2.818 1.00 0.00 C ATOM 78 CD LYS A 6 0.961 -10.135 -2.045 1.00 0.00 C ATOM 79 CE LYS A 6 -0.066 -10.341 -0.918 1.00 0.00 C ATOM 80 NZ LYS A 6 -1.461 -10.242 -1.330 1.00 0.00 N ATOM 0 H LYS A 6 -0.626 -6.493 -3.859 1.00 0.00 H new ATOM 0 HA LYS A 6 0.942 -8.296 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.270 -8.613 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.463 -9.976 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.720 -8.586 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.572 -8.026 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.892 -10.971 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.963 -10.158 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.097 -11.323 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.120 -9.603 -0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.064 -10.727 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.736 -9.241 -1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.580 -10.687 -2.262 1.00 0.00 H new ATOM 94 N TYR A 7 -2.205 -7.578 -5.990 1.00 0.00 N ATOM 95 CA TYR A 7 -3.359 -7.755 -6.862 1.00 0.00 C ATOM 96 C TYR A 7 -3.838 -6.395 -7.366 1.00 0.00 C ATOM 97 O TYR A 7 -3.461 -5.326 -6.902 1.00 0.00 O ATOM 98 CB TYR A 7 -4.518 -8.404 -6.082 1.00 0.00 C ATOM 99 CG TYR A 7 -4.249 -9.833 -5.704 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.634 -10.164 -4.502 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.643 -10.849 -6.559 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.412 -11.495 -4.164 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.462 -12.176 -6.224 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.832 -12.521 -5.020 1.00 0.00 C ATOM 105 OH TYR A 7 -3.605 -13.852 -4.678 1.00 0.00 O ATOM 0 H TYR A 7 -2.277 -6.796 -5.339 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.064 -8.391 -7.697 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.708 -7.825 -5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.424 -8.359 -6.686 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.326 -9.381 -3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.100 -10.599 -7.505 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.914 -11.738 -3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.807 -12.951 -6.892 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.960 -14.435 -5.381 1.00 0.00 H new ATOM 115 N ASP A 8 -4.695 -6.568 -8.380 1.00 0.00 N ATOM 116 CA ASP A 8 -5.343 -5.476 -9.073 1.00 0.00 C ATOM 117 C ASP A 8 -6.596 -5.121 -8.259 1.00 0.00 C ATOM 118 O ASP A 8 -7.362 -5.976 -7.825 1.00 0.00 O ATOM 119 CB ASP A 8 -5.635 -5.882 -10.525 1.00 0.00 C ATOM 120 CG ASP A 8 -6.544 -7.124 -10.635 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.095 -8.225 -10.309 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.693 -6.968 -11.047 1.00 0.00 O ATOM 0 H ASP A 8 -4.953 -7.488 -8.738 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.714 -4.588 -9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.107 -5.047 -11.042 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.693 -6.082 -11.037 1.00 0.00 H new ATOM 127 N PHE A 9 -6.710 -3.797 -8.064 1.00 0.00 N ATOM 128 CA PHE A 9 -7.801 -3.243 -7.285 1.00 0.00 C ATOM 129 C PHE A 9 -8.350 -1.963 -7.930 1.00 0.00 C ATOM 130 O PHE A 9 -7.735 -1.255 -8.720 1.00 0.00 O ATOM 131 CB PHE A 9 -7.290 -2.979 -5.859 1.00 0.00 C ATOM 132 CG PHE A 9 -8.381 -2.761 -4.841 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.299 -3.770 -4.583 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.490 -1.561 -4.139 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.301 -3.594 -3.646 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.493 -1.385 -3.191 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.400 -2.407 -2.939 1.00 0.00 C ATOM 0 H PHE A 9 -6.060 -3.105 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.628 -3.953 -7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.677 -3.823 -5.543 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.642 -2.103 -5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.230 -4.704 -5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.790 -0.762 -4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.011 -4.387 -3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.567 -0.453 -2.650 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.175 -2.277 -2.198 1.00 0.00 H new ATOM 147 N LYS A 10 -9.594 -1.771 -7.491 1.00 0.00 N ATOM 148 CA LYS A 10 -10.454 -0.668 -7.840 1.00 0.00 C ATOM 149 C LYS A 10 -11.071 -0.179 -6.523 1.00 0.00 C ATOM 150 O LYS A 10 -11.763 -0.937 -5.855 1.00 0.00 O ATOM 151 CB LYS A 10 -11.495 -1.205 -8.837 1.00 0.00 C ATOM 152 CG LYS A 10 -12.799 -0.400 -8.953 1.00 0.00 C ATOM 153 CD LYS A 10 -12.618 1.105 -9.182 1.00 0.00 C ATOM 154 CE LYS A 10 -11.748 1.461 -10.391 1.00 0.00 C ATOM 155 NZ LYS A 10 -12.306 0.964 -11.646 1.00 0.00 N ATOM 0 H LYS A 10 -10.042 -2.423 -6.848 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.946 0.170 -8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.033 -1.253 -9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.747 -2.227 -8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.387 -0.808 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.380 -0.546 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.600 1.561 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.175 1.545 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.638 2.544 -10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.750 1.046 -10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.681 1.230 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.387 -0.072 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.248 1.379 -11.796 1.00 0.00 H new ATOM 169 N ALA A 11 -10.782 1.106 -6.188 1.00 0.00 N ATOM 170 CA ALA A 11 -11.350 1.665 -4.948 1.00 0.00 C ATOM 171 C ALA A 11 -12.866 1.444 -4.829 1.00 0.00 C ATOM 172 O ALA A 11 -13.608 1.312 -5.796 1.00 0.00 O ATOM 173 CB ALA A 11 -11.126 3.165 -4.800 1.00 0.00 C ATOM 0 H ALA A 11 -10.192 1.739 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.817 1.124 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.570 3.509 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.056 3.374 -4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.592 3.687 -5.636 1.00 0.00 H new ATOM 179 N THR A 12 -13.227 1.436 -3.533 1.00 0.00 N ATOM 180 CA THR A 12 -14.596 1.231 -3.072 1.00 0.00 C ATOM 181 C THR A 12 -15.259 2.546 -2.614 1.00 0.00 C ATOM 182 O THR A 12 -16.478 2.641 -2.509 1.00 0.00 O ATOM 183 CB THR A 12 -14.643 0.154 -1.950 1.00 0.00 C ATOM 184 OG1 THR A 12 -15.787 0.206 -1.042 1.00 0.00 O ATOM 185 CG2 THR A 12 -13.267 0.042 -1.257 1.00 0.00 C ATOM 0 H THR A 12 -12.561 1.574 -2.773 1.00 0.00 H new ATOM 0 HA THR A 12 -15.174 0.867 -3.921 1.00 0.00 H new ATOM 0 HB THR A 12 -14.843 -0.792 -2.454 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.522 0.644 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.314 -0.715 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.512 -0.241 -1.991 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.002 1.003 -0.816 1.00 0.00 H new ATOM 193 N ALA A 13 -14.388 3.545 -2.357 1.00 0.00 N ATOM 194 CA ALA A 13 -14.814 4.868 -1.906 1.00 0.00 C ATOM 195 C ALA A 13 -13.789 5.907 -2.361 1.00 0.00 C ATOM 196 O ALA A 13 -12.758 5.600 -2.941 1.00 0.00 O ATOM 197 CB ALA A 13 -14.974 4.881 -0.378 1.00 0.00 C ATOM 0 H ALA A 13 -13.378 3.449 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.782 5.113 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.292 5.872 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.723 4.146 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.021 4.635 0.090 1.00 0.00 H new ATOM 203 N ASP A 14 -14.177 7.152 -2.047 1.00 0.00 N ATOM 204 CA ASP A 14 -13.429 8.353 -2.374 1.00 0.00 C ATOM 205 C ASP A 14 -12.133 8.501 -1.543 1.00 0.00 C ATOM 206 O ASP A 14 -11.164 9.103 -1.990 1.00 0.00 O ATOM 207 CB ASP A 14 -14.436 9.489 -2.179 1.00 0.00 C ATOM 208 CG ASP A 14 -13.935 10.850 -2.704 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.432 10.907 -3.826 1.00 0.00 O ATOM 210 OD2 ASP A 14 -14.058 11.839 -1.981 1.00 0.00 O ATOM 0 H ASP A 14 -15.044 7.345 -1.545 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.045 8.341 -3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.365 9.232 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.668 9.581 -1.118 1.00 0.00 H new ATOM 215 N ASP A 15 -12.163 7.913 -0.325 1.00 0.00 N ATOM 216 CA ASP A 15 -10.986 7.963 0.545 1.00 0.00 C ATOM 217 C ASP A 15 -9.946 6.899 0.121 1.00 0.00 C ATOM 218 O ASP A 15 -8.761 7.022 0.389 1.00 0.00 O ATOM 219 CB ASP A 15 -11.410 7.898 2.022 1.00 0.00 C ATOM 220 CG ASP A 15 -12.000 6.557 2.488 1.00 0.00 C ATOM 221 OD1 ASP A 15 -13.046 6.165 1.974 1.00 0.00 O ATOM 222 OD2 ASP A 15 -11.418 5.941 3.378 1.00 0.00 O ATOM 0 H ASP A 15 -12.966 7.416 0.061 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.476 8.920 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.542 8.126 2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.146 8.681 2.204 1.00 0.00 H new ATOM 227 N GLU A 16 -10.471 5.898 -0.620 1.00 0.00 N ATOM 228 CA GLU A 16 -9.657 4.807 -1.158 1.00 0.00 C ATOM 229 C GLU A 16 -9.319 5.143 -2.627 1.00 0.00 C ATOM 230 O GLU A 16 -10.013 5.867 -3.321 1.00 0.00 O ATOM 231 CB GLU A 16 -10.450 3.475 -1.203 1.00 0.00 C ATOM 232 CG GLU A 16 -10.374 2.575 0.043 1.00 0.00 C ATOM 233 CD GLU A 16 -11.437 2.815 1.125 1.00 0.00 C ATOM 234 OE1 GLU A 16 -12.626 2.714 0.824 1.00 0.00 O ATOM 235 OE2 GLU A 16 -11.064 3.060 2.272 1.00 0.00 O ATOM 0 H GLU A 16 -11.461 5.831 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.778 4.699 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.498 3.711 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.097 2.899 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.445 1.537 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.391 2.701 0.496 1.00 0.00 H new ATOM 242 N LEU A 17 -8.187 4.527 -3.034 1.00 0.00 N ATOM 243 CA LEU A 17 -7.715 4.659 -4.415 1.00 0.00 C ATOM 244 C LEU A 17 -7.278 3.302 -4.946 1.00 0.00 C ATOM 245 O LEU A 17 -7.073 2.320 -4.244 1.00 0.00 O ATOM 246 CB LEU A 17 -6.703 5.782 -4.629 1.00 0.00 C ATOM 247 CG LEU A 17 -5.348 5.614 -3.929 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.343 4.783 -4.732 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.737 6.988 -3.742 1.00 0.00 C ATOM 0 H LEU A 17 -7.600 3.947 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.557 4.990 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.525 5.884 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.151 6.716 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.541 5.095 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.408 4.706 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.748 3.785 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.156 5.266 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.771 6.892 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.600 7.460 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.400 7.601 -3.131 1.00 0.00 H new ATOM 261 N SER A 18 -7.181 3.375 -6.272 1.00 0.00 N ATOM 262 CA SER A 18 -6.851 2.256 -7.112 1.00 0.00 C ATOM 263 C SER A 18 -5.336 2.074 -7.279 1.00 0.00 C ATOM 264 O SER A 18 -4.525 2.981 -7.151 1.00 0.00 O ATOM 265 CB SER A 18 -7.436 2.647 -8.497 1.00 0.00 C ATOM 266 OG SER A 18 -8.889 2.932 -8.645 1.00 0.00 O ATOM 0 H SER A 18 -7.336 4.239 -6.791 1.00 0.00 H new ATOM 0 HA SER A 18 -7.238 1.329 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.897 3.532 -8.837 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.193 1.841 -9.189 1.00 0.00 H new ATOM 0 HG SER A 18 -9.084 3.162 -9.577 1.00 0.00 H new ATOM 272 N PHE A 19 -5.078 0.809 -7.642 1.00 0.00 N ATOM 273 CA PHE A 19 -3.745 0.294 -7.936 1.00 0.00 C ATOM 274 C PHE A 19 -3.960 -0.954 -8.770 1.00 0.00 C ATOM 275 O PHE A 19 -4.990 -1.607 -8.689 1.00 0.00 O ATOM 276 CB PHE A 19 -2.887 -0.040 -6.704 1.00 0.00 C ATOM 277 CG PHE A 19 -3.575 -0.877 -5.659 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.603 -2.262 -5.761 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.160 -0.269 -4.554 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.187 -3.029 -4.763 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.749 -1.034 -3.558 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.763 -2.416 -3.661 1.00 0.00 C ATOM 0 H PHE A 19 -5.810 0.105 -7.740 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.181 1.073 -8.449 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.990 -0.564 -7.035 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.560 0.892 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.167 -2.745 -6.623 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.156 0.808 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.193 -4.106 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.197 -0.552 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.221 -3.013 -2.886 1.00 0.00 H new ATOM 292 N LYS A 20 -2.942 -1.206 -9.599 1.00 0.00 N ATOM 293 CA LYS A 20 -2.944 -2.346 -10.492 1.00 0.00 C ATOM 294 C LYS A 20 -1.881 -3.304 -9.973 1.00 0.00 C ATOM 295 O LYS A 20 -0.878 -2.872 -9.418 1.00 0.00 O ATOM 296 CB LYS A 20 -2.704 -1.908 -11.940 1.00 0.00 C ATOM 297 CG LYS A 20 -3.517 -0.659 -12.283 1.00 0.00 C ATOM 298 CD LYS A 20 -5.041 -0.777 -12.111 1.00 0.00 C ATOM 299 CE LYS A 20 -5.649 0.500 -11.512 1.00 0.00 C ATOM 300 NZ LYS A 20 -7.053 0.297 -11.169 1.00 0.00 N ATOM 0 H LYS A 20 -2.106 -0.626 -9.663 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.912 -2.848 -10.506 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.643 -1.707 -12.091 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.974 -2.718 -12.617 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.164 0.163 -11.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.308 -0.387 -13.318 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.501 -0.979 -13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.269 -1.625 -11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.091 0.790 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.560 1.319 -12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.548 1.212 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.492 -0.339 -11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.121 -0.127 -10.222 1.00 0.00 H new ATOM 314 N ARG A 21 -2.161 -4.606 -10.145 1.00 0.00 N ATOM 315 CA ARG A 21 -1.194 -5.617 -9.717 1.00 0.00 C ATOM 316 C ARG A 21 0.255 -5.281 -10.167 1.00 0.00 C ATOM 317 O ARG A 21 0.606 -5.317 -11.340 1.00 0.00 O ATOM 318 CB ARG A 21 -1.617 -6.980 -10.259 1.00 0.00 C ATOM 319 CG ARG A 21 -0.506 -8.023 -10.102 1.00 0.00 C ATOM 320 CD ARG A 21 -1.047 -9.440 -10.090 1.00 0.00 C ATOM 321 NE ARG A 21 -0.012 -10.395 -10.477 1.00 0.00 N ATOM 322 CZ ARG A 21 1.012 -10.773 -9.684 1.00 0.00 C ATOM 323 NH1 ARG A 21 1.099 -10.373 -8.421 1.00 0.00 N ATOM 324 NH2 ARG A 21 1.951 -11.571 -10.178 1.00 0.00 N ATOM 0 H ARG A 21 -3.018 -4.970 -10.562 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.187 -5.634 -8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.511 -7.319 -9.735 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.882 -6.886 -11.312 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.208 -7.916 -10.918 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.037 -7.836 -9.176 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.419 -9.683 -9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.893 -9.517 -10.774 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.067 -10.804 -11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.381 -9.765 -8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.884 -10.674 -7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.892 -11.890 -11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.731 -11.865 -9.590 1.00 0.00 H new ATOM 338 N GLY A 22 1.039 -4.979 -9.117 1.00 0.00 N ATOM 339 CA GLY A 22 2.446 -4.642 -9.223 1.00 0.00 C ATOM 340 C GLY A 22 2.758 -3.156 -9.019 1.00 0.00 C ATOM 341 O GLY A 22 3.882 -2.748 -9.300 1.00 0.00 O ATOM 0 H GLY A 22 0.693 -4.966 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.002 -5.222 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.807 -4.945 -10.206 1.00 0.00 H new ATOM 345 N ASP A 23 1.770 -2.349 -8.530 1.00 0.00 N ATOM 346 CA ASP A 23 2.116 -0.948 -8.354 1.00 0.00 C ATOM 347 C ASP A 23 2.922 -0.777 -7.061 1.00 0.00 C ATOM 348 O ASP A 23 2.673 -1.440 -6.065 1.00 0.00 O ATOM 349 CB ASP A 23 0.880 -0.034 -8.279 1.00 0.00 C ATOM 350 CG ASP A 23 0.106 0.153 -9.598 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.405 -0.515 -10.588 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.796 0.991 -9.623 1.00 0.00 O ATOM 0 H ASP A 23 0.822 -2.628 -8.278 1.00 0.00 H new ATOM 0 HA ASP A 23 2.700 -0.656 -9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.197 -0.439 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.197 0.946 -7.923 1.00 0.00 H new ATOM 357 N ILE A 24 3.883 0.164 -7.134 1.00 0.00 N ATOM 358 CA ILE A 24 4.717 0.465 -5.973 1.00 0.00 C ATOM 359 C ILE A 24 4.137 1.756 -5.366 1.00 0.00 C ATOM 360 O ILE A 24 3.980 2.769 -6.040 1.00 0.00 O ATOM 361 CB ILE A 24 6.203 0.594 -6.370 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.699 -0.696 -7.063 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.079 0.913 -5.144 1.00 0.00 C ATOM 364 CD1 ILE A 24 8.127 -0.599 -7.613 1.00 0.00 C ATOM 0 H ILE A 24 4.092 0.713 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 24 4.700 -0.338 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 24 6.288 1.422 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.650 -1.520 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.021 -0.940 -7.881 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.121 0.998 -5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.754 1.854 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.983 0.113 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.401 -1.543 -8.084 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.179 0.202 -8.350 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.818 -0.387 -6.797 1.00 0.00 H new ATOM 376 N LEU A 25 3.798 1.626 -4.062 1.00 0.00 N ATOM 377 CA LEU A 25 3.199 2.714 -3.299 1.00 0.00 C ATOM 378 C LEU A 25 4.146 3.148 -2.205 1.00 0.00 C ATOM 379 O LEU A 25 5.076 2.448 -1.820 1.00 0.00 O ATOM 380 CB LEU A 25 1.853 2.311 -2.654 1.00 0.00 C ATOM 381 CG LEU A 25 0.937 1.600 -3.650 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.155 0.071 -3.705 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.546 1.872 -3.390 1.00 0.00 C ATOM 0 H LEU A 25 3.935 0.769 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 25 3.010 3.528 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.040 1.658 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.353 3.200 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 25 1.218 2.025 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.472 -0.368 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.183 -0.140 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.964 -0.359 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.148 1.342 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.810 1.526 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.738 2.942 -3.466 1.00 0.00 H new ATOM 395 N LYS A 26 3.812 4.368 -1.757 1.00 0.00 N ATOM 396 CA LYS A 26 4.576 4.972 -0.661 1.00 0.00 C ATOM 397 C LYS A 26 3.711 5.062 0.594 1.00 0.00 C ATOM 398 O LYS A 26 2.809 5.875 0.669 1.00 0.00 O ATOM 399 CB LYS A 26 5.207 6.318 -1.022 1.00 0.00 C ATOM 400 CG LYS A 26 6.192 6.745 0.078 1.00 0.00 C ATOM 401 CD LYS A 26 6.744 8.157 -0.095 1.00 0.00 C ATOM 402 CE LYS A 26 7.602 8.533 1.113 1.00 0.00 C ATOM 403 NZ LYS A 26 8.045 9.923 1.077 1.00 0.00 N ATOM 0 H LYS A 26 3.047 4.936 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 26 5.420 4.313 -0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.726 6.242 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.430 7.074 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.693 6.677 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.024 6.041 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.339 8.215 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.924 8.866 -0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.032 8.361 2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.473 7.879 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.622 10.125 1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.612 10.084 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.216 10.551 1.067 1.00 0.00 H new ATOM 417 N VAL A 27 4.080 4.258 1.605 1.00 0.00 N ATOM 418 CA VAL A 27 3.270 4.248 2.820 1.00 0.00 C ATOM 419 C VAL A 27 3.842 5.322 3.738 1.00 0.00 C ATOM 420 O VAL A 27 4.872 5.170 4.378 1.00 0.00 O ATOM 421 CB VAL A 27 3.319 2.855 3.461 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.611 2.826 4.830 1.00 0.00 C ATOM 423 CG2 VAL A 27 2.714 1.805 2.512 1.00 0.00 C ATOM 0 H VAL A 27 4.891 3.639 1.605 1.00 0.00 H new ATOM 0 HA VAL A 27 2.221 4.462 2.615 1.00 0.00 H new ATOM 0 HB VAL A 27 4.367 2.610 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.669 1.821 5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.097 3.529 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.565 3.107 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.757 0.822 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.676 2.061 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.280 1.787 1.581 1.00 0.00 H new ATOM 433 N LEU A 28 3.054 6.408 3.741 1.00 0.00 N ATOM 434 CA LEU A 28 3.367 7.611 4.489 1.00 0.00 C ATOM 435 C LEU A 28 2.750 7.523 5.901 1.00 0.00 C ATOM 436 O LEU A 28 3.306 8.017 6.872 1.00 0.00 O ATOM 437 CB LEU A 28 2.769 8.762 3.645 1.00 0.00 C ATOM 438 CG LEU A 28 3.314 10.179 3.907 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.106 10.669 5.344 1.00 0.00 C ATOM 440 CD2 LEU A 28 4.781 10.322 3.476 1.00 0.00 C ATOM 0 H LEU A 28 2.180 6.465 3.218 1.00 0.00 H new ATOM 0 HA LEU A 28 4.435 7.763 4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.927 8.528 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.692 8.778 3.809 1.00 0.00 H new ATOM 0 HG LEU A 28 2.712 10.834 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.516 11.673 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.040 10.687 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.614 9.996 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.123 11.337 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.395 9.614 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.868 10.117 2.409 1.00 0.00 H new ATOM 452 N ASN A 29 1.585 6.835 5.953 1.00 0.00 N ATOM 453 CA ASN A 29 0.855 6.657 7.206 1.00 0.00 C ATOM 454 C ASN A 29 0.240 5.237 7.244 1.00 0.00 C ATOM 455 O ASN A 29 0.016 4.604 6.218 1.00 0.00 O ATOM 456 CB ASN A 29 -0.188 7.791 7.290 1.00 0.00 C ATOM 457 CG ASN A 29 -0.952 7.816 8.621 1.00 0.00 C ATOM 458 OD1 ASN A 29 -0.386 8.055 9.677 1.00 0.00 O ATOM 459 ND2 ASN A 29 -2.264 7.557 8.503 1.00 0.00 N ATOM 0 H ASN A 29 1.143 6.402 5.142 1.00 0.00 H new ATOM 0 HA ASN A 29 1.500 6.725 8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.314 8.748 7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.900 7.681 6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.859 7.551 9.331 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.666 7.366 7.585 1.00 0.00 H new ATOM 536 N ASN A 35 -5.635 -3.368 8.391 1.00 0.00 N ATOM 537 CA ASN A 35 -6.318 -3.726 7.169 1.00 0.00 C ATOM 538 C ASN A 35 -6.328 -2.596 6.165 1.00 0.00 C ATOM 539 O ASN A 35 -6.514 -2.854 4.992 1.00 0.00 O ATOM 540 CB ASN A 35 -7.772 -4.050 7.529 1.00 0.00 C ATOM 541 CG ASN A 35 -7.893 -5.366 8.286 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.860 -6.402 7.452 1.00 0.00 O flip ATOM 543 ND2 ASN A 35 -7.991 -5.432 9.503 1.00 0.00 N flip ATOM 0 HA ASN A 35 -5.797 -4.572 6.720 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.183 -3.244 8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.369 -4.100 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.008 -4.578 10.060 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.056 -6.341 9.961 1.00 0.00 H new ATOM 550 N TRP A 36 -6.159 -1.353 6.651 1.00 0.00 N ATOM 551 CA TRP A 36 -6.139 -0.249 5.709 1.00 0.00 C ATOM 552 C TRP A 36 -5.041 0.741 6.099 1.00 0.00 C ATOM 553 O TRP A 36 -5.053 1.368 7.150 1.00 0.00 O ATOM 554 CB TRP A 36 -7.480 0.486 5.660 1.00 0.00 C ATOM 555 CG TRP A 36 -8.595 -0.469 5.274 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.270 -1.351 6.126 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.127 -0.692 3.951 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.153 -2.081 5.407 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.097 -1.711 4.070 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.874 -0.133 2.727 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.773 -2.142 2.966 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.563 -0.571 1.598 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.519 -1.576 1.717 1.00 0.00 C ATOM 0 H TRP A 36 -6.042 -1.107 7.634 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.944 -0.665 4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.694 0.930 6.632 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.428 1.303 4.941 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.111 -1.435 7.191 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.769 -2.798 5.791 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.137 0.651 2.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.509 -2.926 3.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.356 -0.132 0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.061 -1.916 0.847 1.00 0.00 H new ATOM 574 N TYR A 37 -4.118 0.828 5.133 1.00 0.00 N ATOM 575 CA TYR A 37 -2.974 1.738 5.211 1.00 0.00 C ATOM 576 C TYR A 37 -3.302 2.922 4.327 1.00 0.00 C ATOM 577 O TYR A 37 -4.236 2.866 3.552 1.00 0.00 O ATOM 578 CB TYR A 37 -1.716 1.123 4.590 1.00 0.00 C ATOM 579 CG TYR A 37 -1.256 -0.098 5.310 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.222 -0.145 6.697 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.846 -1.194 4.579 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.773 -1.275 7.357 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.399 -2.330 5.220 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.335 -2.382 6.618 1.00 0.00 C ATOM 585 OH TYR A 37 0.131 -3.530 7.249 1.00 0.00 O ATOM 0 H TYR A 37 -4.145 0.271 4.279 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.796 1.980 6.259 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.916 0.872 3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.916 1.863 4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.550 0.711 7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.875 -1.162 3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.760 -1.304 8.437 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.095 -3.188 4.638 1.00 0.00 H new ATOM 0 HH TYR A 37 0.390 -4.192 6.574 1.00 0.00 H new ATOM 595 N LYS A 38 -2.465 3.959 4.473 1.00 0.00 N ATOM 596 CA LYS A 38 -2.598 5.183 3.710 1.00 0.00 C ATOM 597 C LYS A 38 -1.256 5.395 2.997 1.00 0.00 C ATOM 598 O LYS A 38 -0.237 5.655 3.628 1.00 0.00 O ATOM 599 CB LYS A 38 -2.946 6.291 4.701 1.00 0.00 C ATOM 600 CG LYS A 38 -3.311 7.614 4.037 1.00 0.00 C ATOM 601 CD LYS A 38 -3.937 8.571 5.055 1.00 0.00 C ATOM 602 CE LYS A 38 -4.745 9.684 4.393 1.00 0.00 C ATOM 603 NZ LYS A 38 -3.913 10.602 3.625 1.00 0.00 N ATOM 0 H LYS A 38 -1.681 3.961 5.126 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.383 5.163 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.781 5.963 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.098 6.450 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.420 8.068 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.009 7.437 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.584 8.008 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.149 9.012 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.494 9.242 3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.283 10.242 5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.483 11.419 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.122 10.930 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.540 10.113 2.786 1.00 0.00 H new ATOM 617 N ALA A 39 -1.313 5.259 1.653 1.00 0.00 N ATOM 618 CA ALA A 39 -0.089 5.383 0.869 1.00 0.00 C ATOM 619 C ALA A 39 -0.318 6.276 -0.341 1.00 0.00 C ATOM 620 O ALA A 39 -1.412 6.783 -0.547 1.00 0.00 O ATOM 621 CB ALA A 39 0.353 3.973 0.455 1.00 0.00 C ATOM 0 H ALA A 39 -2.161 5.071 1.117 1.00 0.00 H new ATOM 0 HA ALA A 39 0.698 5.850 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.268 4.037 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.536 3.373 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.431 3.507 -0.142 1.00 0.00 H new ATOM 627 N GLU A 40 0.772 6.424 -1.131 1.00 0.00 N ATOM 628 CA GLU A 40 0.694 7.298 -2.291 1.00 0.00 C ATOM 629 C GLU A 40 1.042 6.550 -3.583 1.00 0.00 C ATOM 630 O GLU A 40 1.828 5.614 -3.637 1.00 0.00 O ATOM 631 CB GLU A 40 1.592 8.520 -2.037 1.00 0.00 C ATOM 632 CG GLU A 40 1.497 9.592 -3.139 1.00 0.00 C ATOM 633 CD GLU A 40 2.166 10.911 -2.711 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.356 10.896 -2.396 1.00 0.00 O ATOM 635 OE2 GLU A 40 1.488 11.939 -2.696 1.00 0.00 O ATOM 0 H GLU A 40 1.671 5.966 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.329 7.646 -2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.321 8.968 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.627 8.189 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.971 9.222 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.450 9.776 -3.378 1.00 0.00 H new ATOM 642 N LEU A 41 0.380 7.104 -4.601 1.00 0.00 N ATOM 643 CA LEU A 41 0.417 6.708 -5.994 1.00 0.00 C ATOM 644 C LEU A 41 -0.051 7.846 -6.857 1.00 0.00 C ATOM 645 O LEU A 41 -0.535 8.861 -6.395 1.00 0.00 O ATOM 646 CB LEU A 41 -0.656 5.629 -6.267 1.00 0.00 C ATOM 647 CG LEU A 41 -0.222 4.188 -6.093 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.461 3.309 -6.192 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.684 3.845 -7.277 1.00 0.00 C ATOM 0 H LEU A 41 -0.240 7.900 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 41 1.435 6.380 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.502 5.813 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.017 5.756 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 41 0.286 4.039 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.176 2.264 -6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.167 3.586 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.928 3.446 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.020 2.812 -7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.130 3.970 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.548 4.509 -7.278 1.00 0.00 H new ATOM 661 N ASN A 42 0.209 7.557 -8.143 1.00 0.00 N ATOM 662 CA ASN A 42 -0.213 8.273 -9.317 1.00 0.00 C ATOM 663 C ASN A 42 -0.043 9.795 -9.228 1.00 0.00 C ATOM 664 O ASN A 42 0.900 10.416 -9.703 1.00 0.00 O ATOM 665 CB ASN A 42 -1.600 7.648 -9.620 1.00 0.00 C ATOM 666 CG ASN A 42 -1.802 7.350 -11.102 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.211 8.179 -11.901 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.468 6.079 -11.388 1.00 0.00 N ATOM 0 H ASN A 42 0.770 6.741 -8.388 1.00 0.00 H new ATOM 0 HA ASN A 42 0.421 8.155 -10.196 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.710 6.725 -9.050 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.382 8.328 -9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.548 5.734 -12.344 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.135 5.460 -10.648 1.00 0.00 H new ATOM 675 N GLY A 43 -1.080 10.285 -8.565 1.00 0.00 N ATOM 676 CA GLY A 43 -1.307 11.684 -8.229 1.00 0.00 C ATOM 677 C GLY A 43 -2.320 11.833 -7.083 1.00 0.00 C ATOM 678 O GLY A 43 -2.799 12.924 -6.803 1.00 0.00 O ATOM 0 H GLY A 43 -1.830 9.682 -8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.363 12.148 -7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.671 12.216 -9.108 1.00 0.00 H new ATOM 682 N LYS A 44 -2.641 10.673 -6.457 1.00 0.00 N ATOM 683 CA LYS A 44 -3.586 10.616 -5.354 1.00 0.00 C ATOM 684 C LYS A 44 -3.064 9.682 -4.246 1.00 0.00 C ATOM 685 O LYS A 44 -2.483 8.632 -4.501 1.00 0.00 O ATOM 686 CB LYS A 44 -4.920 10.090 -5.908 1.00 0.00 C ATOM 687 CG LYS A 44 -5.609 11.117 -6.818 1.00 0.00 C ATOM 688 CD LYS A 44 -6.951 10.627 -7.367 1.00 0.00 C ATOM 689 CE LYS A 44 -7.644 11.707 -8.204 1.00 0.00 C ATOM 690 NZ LYS A 44 -8.898 11.240 -8.785 1.00 0.00 N ATOM 0 H LYS A 44 -2.247 9.768 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.718 11.606 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.743 9.171 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.582 9.837 -5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.767 12.040 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.948 11.357 -7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.793 9.738 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.599 10.335 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.839 12.578 -7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.975 12.030 -9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.329 12.005 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.712 10.425 -9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.548 10.956 -8.025 1.00 0.00 H new ATOM 704 N ASP A 45 -3.297 10.167 -3.008 1.00 0.00 N ATOM 705 CA ASP A 45 -2.990 9.466 -1.766 1.00 0.00 C ATOM 706 C ASP A 45 -4.355 8.905 -1.265 1.00 0.00 C ATOM 707 O ASP A 45 -5.374 9.584 -1.339 1.00 0.00 O ATOM 708 CB ASP A 45 -2.331 10.449 -0.783 1.00 0.00 C ATOM 709 CG ASP A 45 -1.915 9.771 0.538 1.00 0.00 C ATOM 710 OD1 ASP A 45 -2.799 9.351 1.282 1.00 0.00 O ATOM 711 OD2 ASP A 45 -0.719 9.679 0.818 1.00 0.00 O ATOM 0 H ASP A 45 -3.716 11.084 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.280 8.647 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.453 10.893 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.024 11.263 -0.568 1.00 0.00 H new ATOM 716 N GLY A 46 -4.329 7.648 -0.777 1.00 0.00 N ATOM 717 CA GLY A 46 -5.581 7.017 -0.332 1.00 0.00 C ATOM 718 C GLY A 46 -5.349 5.710 0.419 1.00 0.00 C ATOM 719 O GLY A 46 -4.228 5.228 0.536 1.00 0.00 O ATOM 0 H GLY A 46 -3.492 7.073 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.123 7.710 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.214 6.826 -1.198 1.00 0.00 H new ATOM 723 N PHE A 47 -6.488 5.162 0.904 1.00 0.00 N ATOM 724 CA PHE A 47 -6.444 3.913 1.660 1.00 0.00 C ATOM 725 C PHE A 47 -6.348 2.683 0.734 1.00 0.00 C ATOM 726 O PHE A 47 -6.899 2.658 -0.360 1.00 0.00 O ATOM 727 CB PHE A 47 -7.651 3.836 2.602 1.00 0.00 C ATOM 728 CG PHE A 47 -7.547 4.878 3.681 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.816 4.641 4.841 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.170 6.106 3.520 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.704 5.629 5.814 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.056 7.095 4.480 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.324 6.858 5.634 1.00 0.00 C ATOM 0 H PHE A 47 -7.419 5.561 0.784 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.537 3.904 2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.571 3.981 2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.706 2.844 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.333 3.686 4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.754 6.293 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.134 5.439 6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.536 8.051 4.331 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.237 7.626 6.389 1.00 0.00 H new ATOM 743 N ILE A 48 -5.590 1.680 1.245 1.00 0.00 N ATOM 744 CA ILE A 48 -5.361 0.425 0.525 1.00 0.00 C ATOM 745 C ILE A 48 -5.436 -0.761 1.525 1.00 0.00 C ATOM 746 O ILE A 48 -4.927 -0.655 2.632 1.00 0.00 O ATOM 747 CB ILE A 48 -3.997 0.472 -0.194 1.00 0.00 C ATOM 748 CG1 ILE A 48 -2.803 0.503 0.786 1.00 0.00 C ATOM 749 CG2 ILE A 48 -3.936 1.641 -1.191 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.448 0.538 0.081 1.00 0.00 C ATOM 0 H ILE A 48 -5.131 1.727 2.155 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.131 0.285 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.908 -0.458 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.893 1.377 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.847 -0.375 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.963 1.649 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.720 1.523 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.081 2.581 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.651 0.559 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.339 -0.349 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.385 1.430 -0.543 1.00 0.00 H new ATOM 762 N PRO A 49 -6.079 -1.895 1.110 1.00 0.00 N ATOM 763 CA PRO A 49 -6.211 -3.079 1.966 1.00 0.00 C ATOM 764 C PRO A 49 -4.876 -3.815 2.287 1.00 0.00 C ATOM 765 O PRO A 49 -4.041 -3.911 1.394 1.00 0.00 O ATOM 766 CB PRO A 49 -7.145 -4.026 1.198 1.00 0.00 C ATOM 767 CG PRO A 49 -7.608 -3.302 -0.067 1.00 0.00 C ATOM 768 CD PRO A 49 -6.763 -2.039 -0.178 1.00 0.00 C ATOM 0 HA PRO A 49 -6.587 -2.766 2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.626 -4.949 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.000 -4.302 1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.477 -3.934 -0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.668 -3.055 -0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.045 -2.121 -0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.386 -1.170 -0.388 1.00 0.00 H new ATOM 776 N LYS A 50 -4.710 -4.400 3.524 1.00 0.00 N ATOM 777 CA LYS A 50 -3.409 -5.097 3.693 1.00 0.00 C ATOM 778 C LYS A 50 -3.303 -6.380 2.833 1.00 0.00 C ATOM 779 O LYS A 50 -2.255 -6.684 2.284 1.00 0.00 O ATOM 780 CB LYS A 50 -3.290 -5.663 5.120 1.00 0.00 C ATOM 781 CG LYS A 50 -3.000 -4.628 6.188 1.00 0.00 C ATOM 782 CD LYS A 50 -2.419 -5.251 7.474 1.00 0.00 C ATOM 783 CE LYS A 50 -3.182 -6.461 8.030 1.00 0.00 C ATOM 784 NZ LYS A 50 -4.510 -6.155 8.546 1.00 0.00 N ATOM 0 H LYS A 50 -5.363 -4.405 4.308 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.660 -4.351 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.219 -6.175 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.498 -6.412 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.298 -3.893 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.919 -4.094 6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.390 -5.552 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.384 -4.481 8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.276 -7.208 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.591 -6.911 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.586 -6.487 9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.666 -5.127 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.227 -6.632 7.963 1.00 0.00 H new ATOM 798 N ASN A 51 -4.433 -7.103 2.752 1.00 0.00 N ATOM 799 CA ASN A 51 -4.535 -8.356 1.988 1.00 0.00 C ATOM 800 C ASN A 51 -4.207 -8.215 0.477 1.00 0.00 C ATOM 801 O ASN A 51 -3.866 -9.199 -0.171 1.00 0.00 O ATOM 802 CB ASN A 51 -5.885 -9.035 2.240 1.00 0.00 C ATOM 803 CG ASN A 51 -7.013 -8.103 1.843 1.00 0.00 C ATOM 804 OD1 ASN A 51 -6.960 -6.907 2.078 1.00 0.00 O ATOM 805 ND2 ASN A 51 -8.050 -8.672 1.246 1.00 0.00 N ATOM 0 H ASN A 51 -5.301 -6.834 3.215 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.749 -9.009 2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.948 -9.961 1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.976 -9.303 3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.849 -8.105 0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.049 -9.677 1.070 1.00 0.00 H new ATOM 812 N TYR A 52 -4.270 -6.966 -0.041 1.00 0.00 N ATOM 813 CA TYR A 52 -3.981 -6.758 -1.464 1.00 0.00 C ATOM 814 C TYR A 52 -2.528 -6.355 -1.761 1.00 0.00 C ATOM 815 O TYR A 52 -2.180 -6.275 -2.928 1.00 0.00 O ATOM 816 CB TYR A 52 -4.890 -5.629 -1.976 1.00 0.00 C ATOM 817 CG TYR A 52 -6.207 -6.185 -2.415 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.096 -6.678 -1.476 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.541 -6.250 -3.761 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.292 -7.252 -1.854 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.728 -6.834 -4.162 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.609 -7.352 -3.219 1.00 0.00 C ATOM 823 OH TYR A 52 -9.775 -7.934 -3.687 1.00 0.00 O ATOM 0 H TYR A 52 -4.508 -6.125 0.485 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.156 -7.713 -1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.043 -4.890 -1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.409 -5.114 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.849 -6.612 -0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.868 -5.841 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.979 -7.621 -1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.972 -6.888 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.886 -8.818 -3.279 1.00 0.00 H new ATOM 833 N ILE A 53 -1.711 -6.114 -0.710 1.00 0.00 N ATOM 834 CA ILE A 53 -0.311 -5.710 -0.914 1.00 0.00 C ATOM 835 C ILE A 53 0.642 -6.593 -0.072 1.00 0.00 C ATOM 836 O ILE A 53 0.262 -7.287 0.861 1.00 0.00 O ATOM 837 CB ILE A 53 -0.124 -4.173 -0.724 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.172 -3.763 -0.006 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.341 -3.491 -0.098 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.235 -2.305 0.393 1.00 0.00 C ATOM 0 H ILE A 53 -1.994 -6.192 0.267 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.032 -5.891 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.026 -3.804 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.287 -4.376 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.018 -3.985 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.146 -2.424 0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.211 -3.640 -0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.535 -3.923 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.183 -2.105 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.155 -1.681 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.412 -2.077 1.071 1.00 0.00 H new ATOM 852 N GLU A 54 1.906 -6.499 -0.535 1.00 0.00 N ATOM 853 CA GLU A 54 3.095 -7.118 0.009 1.00 0.00 C ATOM 854 C GLU A 54 3.845 -5.968 0.697 1.00 0.00 C ATOM 855 O GLU A 54 4.400 -5.081 0.055 1.00 0.00 O ATOM 856 CB GLU A 54 3.975 -7.670 -1.121 1.00 0.00 C ATOM 857 CG GLU A 54 5.270 -8.315 -0.595 1.00 0.00 C ATOM 858 CD GLU A 54 6.322 -8.432 -1.708 1.00 0.00 C ATOM 859 OE1 GLU A 54 6.229 -9.355 -2.515 1.00 0.00 O ATOM 860 OE2 GLU A 54 7.225 -7.599 -1.758 1.00 0.00 O ATOM 0 H GLU A 54 2.119 -5.942 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 54 2.853 -7.943 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.410 -8.408 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.228 -6.863 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.669 -7.719 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.050 -9.304 -0.193 1.00 0.00 H new ATOM 927 N VAL B 1 -7.799 -15.025 -8.280 1.00 0.00 N ATOM 928 CA VAL B 1 -8.882 -14.101 -8.123 1.00 0.00 C ATOM 929 C VAL B 1 -8.602 -13.233 -6.868 1.00 0.00 C ATOM 930 O VAL B 1 -8.448 -13.761 -5.773 1.00 0.00 O ATOM 931 CB VAL B 1 -10.153 -14.951 -7.976 1.00 0.00 C ATOM 932 CG1 VAL B 1 -10.677 -15.453 -9.324 1.00 0.00 C ATOM 933 CG2 VAL B 1 -10.088 -16.102 -6.952 1.00 0.00 C ATOM 0 H1 VAL B 1 -8.144 -15.888 -8.747 1.00 0.00 H new ATOM 0 H2 VAL B 1 -7.054 -14.591 -8.861 1.00 0.00 H new ATOM 0 H3 VAL B 1 -7.412 -15.268 -7.346 1.00 0.00 H new ATOM 0 HA VAL B 1 -8.998 -13.422 -8.968 1.00 0.00 H new ATOM 0 HB VAL B 1 -10.868 -14.245 -7.553 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -11.576 -16.049 -9.166 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -10.913 -14.602 -9.962 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -9.915 -16.067 -9.805 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -11.042 -16.630 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -9.295 -16.795 -7.233 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -9.882 -15.697 -5.961 1.00 0.00 H new ATOM 943 N PRO B 2 -8.511 -11.884 -7.054 1.00 0.00 N ATOM 944 CA PRO B 2 -8.235 -10.984 -5.937 1.00 0.00 C ATOM 945 C PRO B 2 -9.087 -11.213 -4.629 1.00 0.00 C ATOM 946 O PRO B 2 -10.304 -11.336 -4.694 1.00 0.00 O ATOM 947 CB PRO B 2 -8.306 -9.600 -6.583 1.00 0.00 C ATOM 948 CG PRO B 2 -7.988 -9.804 -8.053 1.00 0.00 C ATOM 949 CD PRO B 2 -8.541 -11.192 -8.349 1.00 0.00 C ATOM 0 HA PRO B 2 -7.259 -11.165 -5.486 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -9.296 -9.161 -6.456 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.593 -8.917 -6.121 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.460 -9.043 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.916 -9.751 -8.243 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.554 -11.139 -8.747 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.934 -11.711 -9.091 1.00 0.00 H new ATOM 957 N PRO B 3 -8.378 -11.281 -3.447 1.00 0.00 N ATOM 958 CA PRO B 3 -8.948 -11.541 -2.103 1.00 0.00 C ATOM 959 C PRO B 3 -10.219 -10.779 -1.655 1.00 0.00 C ATOM 960 O PRO B 3 -10.587 -9.753 -2.197 1.00 0.00 O ATOM 961 CB PRO B 3 -7.801 -11.112 -1.162 1.00 0.00 C ATOM 962 CG PRO B 3 -6.518 -11.334 -1.944 1.00 0.00 C ATOM 963 CD PRO B 3 -6.924 -11.103 -3.390 1.00 0.00 C ATOM 0 HA PRO B 3 -9.284 -12.578 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.905 -10.067 -0.870 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.807 -11.701 -0.245 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.736 -10.641 -1.633 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.129 -12.341 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.643 -10.102 -3.717 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.421 -11.808 -4.052 1.00 0.00 H new ATOM 971 N PRO B 4 -10.902 -11.312 -0.605 1.00 0.00 N ATOM 972 CA PRO B 4 -12.063 -10.628 -0.031 1.00 0.00 C ATOM 973 C PRO B 4 -11.515 -9.487 0.831 1.00 0.00 C ATOM 974 O PRO B 4 -10.845 -9.674 1.838 1.00 0.00 O ATOM 975 CB PRO B 4 -12.732 -11.702 0.831 1.00 0.00 C ATOM 976 CG PRO B 4 -11.595 -12.665 1.200 1.00 0.00 C ATOM 977 CD PRO B 4 -10.617 -12.598 0.024 1.00 0.00 C ATOM 0 HA PRO B 4 -12.765 -10.211 -0.753 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.189 -11.269 1.721 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.523 -12.214 0.283 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.113 -12.367 2.131 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -11.969 -13.679 1.345 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.582 -12.655 0.362 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.772 -13.424 -0.670 1.00 0.00 H new ATOM 985 N VAL B 5 -11.843 -8.293 0.318 1.00 0.00 N ATOM 986 CA VAL B 5 -11.390 -7.057 0.916 1.00 0.00 C ATOM 987 C VAL B 5 -11.981 -6.868 2.347 1.00 0.00 C ATOM 988 O VAL B 5 -13.172 -7.075 2.547 1.00 0.00 O ATOM 989 CB VAL B 5 -11.664 -5.896 -0.022 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.651 -4.774 0.233 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.650 -6.183 -1.531 1.00 0.00 C ATOM 0 H VAL B 5 -12.423 -8.171 -0.512 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.310 -7.096 1.057 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.693 -5.630 0.218 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.851 -3.942 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.738 -4.433 1.264 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.642 -5.148 0.059 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.861 -5.264 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.669 -6.561 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.410 -6.928 -1.767 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.117 -6.462 3.331 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.542 -6.268 4.721 1.00 0.00 C ATOM 1003 C PRO B 6 -12.686 -5.254 4.930 1.00 0.00 C ATOM 1004 O PRO B 6 -12.968 -4.420 4.079 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.278 -5.732 5.427 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.100 -6.106 4.537 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.697 -6.167 3.143 1.00 0.00 C ATOM 0 HA PRO B 6 -11.938 -7.209 5.104 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.336 -4.652 5.561 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.171 -6.171 6.419 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.303 -5.365 4.598 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.668 -7.063 4.828 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.560 -5.222 2.617 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.213 -6.938 2.544 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.347 -5.361 6.116 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.414 -4.434 6.481 1.00 0.00 C ATOM 1017 C PRO B 7 -13.801 -3.085 6.927 1.00 0.00 C ATOM 1018 O PRO B 7 -13.052 -3.014 7.892 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.099 -5.125 7.668 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.011 -6.009 8.286 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.142 -6.426 7.099 1.00 0.00 C ATOM 0 HA PRO B 7 -15.101 -4.219 5.662 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.473 -4.397 8.388 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -15.953 -5.718 7.341 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.431 -5.464 9.031 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.441 -6.876 8.788 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.093 -6.510 7.383 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.444 -7.396 6.705 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.156 -2.040 6.151 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.692 -0.675 6.403 1.00 0.00 C ATOM 1031 C ARG B 8 -14.832 0.131 7.041 1.00 0.00 C ATOM 1032 O ARG B 8 -15.939 0.221 6.527 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.111 0.019 5.149 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.963 0.105 3.867 1.00 0.00 C ATOM 1035 CD ARG B 8 -14.403 -1.264 3.345 1.00 0.00 C ATOM 1036 NE ARG B 8 -14.767 -1.221 1.937 1.00 0.00 N ATOM 1037 CZ ARG B 8 -14.938 -2.368 1.239 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -14.644 -3.550 1.769 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -15.409 -2.320 0.005 1.00 0.00 N ATOM 0 H ARG B 8 -14.768 -2.125 5.340 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.854 -0.725 7.098 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.844 1.037 5.433 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.184 -0.494 4.892 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -14.846 0.712 4.065 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -13.392 0.616 3.092 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -13.596 -1.983 3.489 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -15.253 -1.618 3.928 1.00 0.00 H new ATOM 0 HE ARG B 8 -14.894 -0.321 1.473 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -14.281 -3.606 2.721 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -14.781 -4.401 1.224 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -15.642 -1.421 -0.417 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -15.540 -3.182 -0.525 1.00 0.00 H new