USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 67 HIS : no HD1:sc= 0.0503 X(o=0.016,f=0) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 171:sc= -0.0342 (180deg=-0.00737) USER MOD Set 2.1: A 31 CYS SG : rot 72:sc= 0.166 USER MOD Set 2.2: A 41 MET CE :methyl 177:sc= -1.17 (180deg=-1.21) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 37 ASN : amide:sc= 0.806 K(o=0.81,f=-0.064) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.00545 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc=-0.00829 X(o=-0.0083,f=-0.12) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 19 CYS SG : rot 19:sc= 0.163 USER MOD Single : A 26 LYS NZ :NH3+ -157:sc= 2.45 (180deg=2) USER MOD Single : A 33 GLN : amide:sc=-0.00822 X(o=-0.0082,f=-0.0082) USER MOD Single : A 34 TYR OH : rot -173:sc= 0.33 USER MOD Single : A 36 GLN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 78:sc= 0.87 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 53 HIS : no HE2:sc=0.000159 X(o=0.00016,f=-0.18) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 97:sc= 0.99 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -121:sc= 0.614 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.141 -3.272 3.852 1.00 0.00 N ATOM 2 CA MET A 1 3.435 -1.979 4.526 1.00 0.00 C ATOM 3 C MET A 1 4.188 -1.061 3.574 1.00 0.00 C ATOM 4 O MET A 1 5.128 -1.486 2.905 1.00 0.00 O ATOM 5 CB MET A 1 4.227 -2.150 5.842 1.00 0.00 C ATOM 6 CG MET A 1 3.281 -2.130 7.046 1.00 0.00 C ATOM 7 SD MET A 1 2.349 -0.580 7.210 1.00 0.00 S ATOM 8 CE MET A 1 1.305 -0.989 8.632 1.00 0.00 C ATOM 0 H1 MET A 1 3.359 -4.058 4.498 1.00 0.00 H new ATOM 0 H2 MET A 1 2.135 -3.307 3.592 1.00 0.00 H new ATOM 0 H3 MET A 1 3.723 -3.357 2.995 1.00 0.00 H new ATOM 0 HA MET A 1 2.477 -1.533 4.795 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.779 -3.090 5.821 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.962 -1.351 5.937 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.579 -2.959 6.960 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.859 -2.295 7.955 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.664 -0.140 8.869 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.687 -1.854 8.393 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.935 -1.220 9.491 1.00 0.00 H new ATOM 18 N SER A 2 3.803 0.215 3.506 1.00 0.00 N ATOM 19 CA SER A 2 4.315 1.182 2.511 1.00 0.00 C ATOM 20 C SER A 2 5.635 1.870 2.933 1.00 0.00 C ATOM 21 O SER A 2 5.929 3.009 2.556 1.00 0.00 O ATOM 22 CB SER A 2 3.223 2.220 2.194 1.00 0.00 C ATOM 23 OG SER A 2 1.998 1.595 1.813 1.00 0.00 O ATOM 0 H SER A 2 3.118 0.619 4.145 1.00 0.00 H new ATOM 0 HA SER A 2 4.561 0.617 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.054 2.850 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.564 2.874 1.391 1.00 0.00 H new ATOM 0 HG SER A 2 1.326 2.282 1.621 1.00 0.00 H new ATOM 29 N ALA A 3 6.438 1.178 3.751 1.00 0.00 N ATOM 30 CA ALA A 3 7.665 1.651 4.390 1.00 0.00 C ATOM 31 C ALA A 3 8.885 1.628 3.438 1.00 0.00 C ATOM 32 O ALA A 3 9.906 0.997 3.710 1.00 0.00 O ATOM 33 CB ALA A 3 7.847 0.801 5.653 1.00 0.00 C ATOM 0 H ALA A 3 6.231 0.210 3.998 1.00 0.00 H new ATOM 0 HA ALA A 3 7.585 2.704 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.753 1.112 6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.987 0.936 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.930 -0.250 5.375 1.00 0.00 H new ATOM 39 N SER A 4 8.754 2.258 2.274 1.00 0.00 N ATOM 40 CA SER A 4 9.755 2.242 1.197 1.00 0.00 C ATOM 41 C SER A 4 11.112 2.849 1.609 1.00 0.00 C ATOM 42 O SER A 4 11.178 3.793 2.403 1.00 0.00 O ATOM 43 CB SER A 4 9.206 2.987 -0.034 1.00 0.00 C ATOM 44 OG SER A 4 7.976 2.415 -0.472 1.00 0.00 O ATOM 0 H SER A 4 7.929 2.810 2.042 1.00 0.00 H new ATOM 0 HA SER A 4 9.941 1.194 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.055 4.038 0.210 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.937 2.949 -0.842 1.00 0.00 H new ATOM 0 HG SER A 4 7.647 2.906 -1.253 1.00 0.00 H new ATOM 50 N ALA A 5 12.212 2.349 1.028 1.00 0.00 N ATOM 51 CA ALA A 5 13.585 2.721 1.383 1.00 0.00 C ATOM 52 C ALA A 5 13.875 4.227 1.288 1.00 0.00 C ATOM 53 O ALA A 5 14.601 4.765 2.123 1.00 0.00 O ATOM 54 CB ALA A 5 14.537 1.920 0.479 1.00 0.00 C ATOM 0 H ALA A 5 12.168 1.657 0.280 1.00 0.00 H new ATOM 0 HA ALA A 5 13.737 2.479 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.569 2.176 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.380 0.853 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.337 2.162 -0.565 1.00 0.00 H new ATOM 60 N GLN A 6 13.281 4.920 0.311 1.00 0.00 N ATOM 61 CA GLN A 6 13.430 6.372 0.125 1.00 0.00 C ATOM 62 C GLN A 6 12.768 7.191 1.252 1.00 0.00 C ATOM 63 O GLN A 6 13.176 8.322 1.506 1.00 0.00 O ATOM 64 CB GLN A 6 12.849 6.776 -1.241 1.00 0.00 C ATOM 65 CG GLN A 6 13.659 6.217 -2.424 1.00 0.00 C ATOM 66 CD GLN A 6 13.083 6.673 -3.769 1.00 0.00 C ATOM 67 OE1 GLN A 6 12.402 5.932 -4.472 1.00 0.00 O ATOM 68 NE2 GLN A 6 13.310 7.906 -4.181 1.00 0.00 N ATOM 0 H GLN A 6 12.674 4.485 -0.384 1.00 0.00 H new ATOM 0 HA GLN A 6 14.496 6.599 0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.820 6.422 -1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.818 7.863 -1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.696 6.544 -2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.663 5.128 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.873 8.538 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 6 12.922 8.227 -5.068 1.00 0.00 H new ATOM 77 N GLN A 7 11.764 6.637 1.946 1.00 0.00 N ATOM 78 CA GLN A 7 11.131 7.274 3.103 1.00 0.00 C ATOM 79 C GLN A 7 11.936 6.990 4.379 1.00 0.00 C ATOM 80 O GLN A 7 12.184 7.903 5.167 1.00 0.00 O ATOM 81 CB GLN A 7 9.677 6.783 3.255 1.00 0.00 C ATOM 82 CG GLN A 7 8.797 6.987 2.004 1.00 0.00 C ATOM 83 CD GLN A 7 8.681 8.446 1.550 1.00 0.00 C ATOM 84 OE1 GLN A 7 8.731 9.386 2.337 1.00 0.00 O ATOM 85 NE2 GLN A 7 8.534 8.704 0.265 1.00 0.00 N ATOM 0 H GLN A 7 11.367 5.726 1.716 1.00 0.00 H new ATOM 0 HA GLN A 7 11.115 8.352 2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.690 5.722 3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.217 7.303 4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.206 6.395 1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.798 6.601 2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.490 7.938 -0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.464 9.669 -0.057 1.00 0.00 H new ATOM 94 N LEU A 8 12.381 5.737 4.568 1.00 0.00 N ATOM 95 CA LEU A 8 13.150 5.319 5.744 1.00 0.00 C ATOM 96 C LEU A 8 14.527 6.004 5.786 1.00 0.00 C ATOM 97 O LEU A 8 14.913 6.540 6.828 1.00 0.00 O ATOM 98 CB LEU A 8 13.210 3.776 5.762 1.00 0.00 C ATOM 99 CG LEU A 8 13.661 3.186 7.118 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.052 1.790 7.319 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.192 3.071 7.234 1.00 0.00 C ATOM 0 H LEU A 8 12.214 4.983 3.902 1.00 0.00 H new ATOM 0 HA LEU A 8 12.658 5.642 6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.225 3.380 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.895 3.439 4.984 1.00 0.00 H new ATOM 0 HG LEU A 8 13.310 3.875 7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.377 1.386 8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.964 1.862 7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.381 1.130 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.453 2.651 8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.569 2.421 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.640 4.060 7.134 1.00 0.00 H new ATOM 113 N ALA A 9 15.249 6.050 4.661 1.00 0.00 N ATOM 114 CA ALA A 9 16.581 6.654 4.559 1.00 0.00 C ATOM 115 C ALA A 9 16.598 8.174 4.810 1.00 0.00 C ATOM 116 O ALA A 9 17.614 8.704 5.269 1.00 0.00 O ATOM 117 CB ALA A 9 17.152 6.322 3.174 1.00 0.00 C ATOM 0 H ALA A 9 14.917 5.661 3.779 1.00 0.00 H new ATOM 0 HA ALA A 9 17.201 6.231 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.144 6.762 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.221 5.240 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.497 6.728 2.403 1.00 0.00 H new ATOM 123 N GLU A 10 15.481 8.863 4.560 1.00 0.00 N ATOM 124 CA GLU A 10 15.331 10.287 4.871 1.00 0.00 C ATOM 125 C GLU A 10 15.308 10.528 6.390 1.00 0.00 C ATOM 126 O GLU A 10 15.882 11.512 6.857 1.00 0.00 O ATOM 127 CB GLU A 10 14.081 10.843 4.171 1.00 0.00 C ATOM 128 CG GLU A 10 13.983 12.374 4.256 1.00 0.00 C ATOM 129 CD GLU A 10 12.836 12.904 3.385 1.00 0.00 C ATOM 130 OE1 GLU A 10 11.681 12.995 3.870 1.00 0.00 O ATOM 131 OE2 GLU A 10 13.080 13.248 2.204 1.00 0.00 O ATOM 0 H GLU A 10 14.652 8.447 4.135 1.00 0.00 H new ATOM 0 HA GLU A 10 16.197 10.828 4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.092 10.542 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.192 10.401 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.826 12.674 5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.924 12.820 3.934 1.00 0.00 H new ATOM 138 N GLU A 11 14.720 9.617 7.178 1.00 0.00 N ATOM 139 CA GLU A 11 14.666 9.726 8.644 1.00 0.00 C ATOM 140 C GLU A 11 16.027 9.462 9.306 1.00 0.00 C ATOM 141 O GLU A 11 16.361 10.145 10.276 1.00 0.00 O ATOM 142 CB GLU A 11 13.597 8.786 9.224 1.00 0.00 C ATOM 143 CG GLU A 11 12.163 9.120 8.792 1.00 0.00 C ATOM 144 CD GLU A 11 11.713 10.501 9.289 1.00 0.00 C ATOM 145 OE1 GLU A 11 11.534 10.684 10.516 1.00 0.00 O ATOM 146 OE2 GLU A 11 11.518 11.416 8.453 1.00 0.00 O ATOM 0 H GLU A 11 14.266 8.779 6.815 1.00 0.00 H new ATOM 0 HA GLU A 11 14.393 10.757 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.826 7.764 8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.653 8.818 10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.096 9.088 7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.483 8.359 9.175 1.00 0.00 H new ATOM 153 N LEU A 12 16.843 8.539 8.765 1.00 0.00 N ATOM 154 CA LEU A 12 18.198 8.251 9.262 1.00 0.00 C ATOM 155 C LEU A 12 19.050 9.525 9.380 1.00 0.00 C ATOM 156 O LEU A 12 19.741 9.717 10.379 1.00 0.00 O ATOM 157 CB LEU A 12 18.895 7.240 8.325 1.00 0.00 C ATOM 158 CG LEU A 12 18.242 5.851 8.177 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.087 4.981 7.234 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.101 5.116 9.515 1.00 0.00 C ATOM 0 H LEU A 12 16.576 7.968 7.963 1.00 0.00 H new ATOM 0 HA LEU A 12 18.100 7.825 10.261 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.963 7.689 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.915 7.097 8.681 1.00 0.00 H new ATOM 0 HG LEU A 12 17.242 6.015 7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.623 4.000 7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.148 5.458 6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.090 4.867 7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.635 4.145 9.349 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.087 4.975 9.958 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.481 5.705 10.190 1.00 0.00 H new ATOM 172 N GLN A 13 18.956 10.415 8.384 1.00 0.00 N ATOM 173 CA GLN A 13 19.738 11.654 8.316 1.00 0.00 C ATOM 174 C GLN A 13 19.279 12.727 9.321 1.00 0.00 C ATOM 175 O GLN A 13 20.032 13.664 9.590 1.00 0.00 O ATOM 176 CB GLN A 13 19.703 12.201 6.878 1.00 0.00 C ATOM 177 CG GLN A 13 20.405 11.261 5.880 1.00 0.00 C ATOM 178 CD GLN A 13 20.487 11.824 4.456 1.00 0.00 C ATOM 179 OE1 GLN A 13 19.936 12.860 4.101 1.00 0.00 O ATOM 180 NE2 GLN A 13 21.198 11.149 3.571 1.00 0.00 N ATOM 0 H GLN A 13 18.325 10.292 7.592 1.00 0.00 H new ATOM 0 HA GLN A 13 20.761 11.406 8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 13 18.667 12.345 6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 13 20.183 13.179 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 13 21.413 11.053 6.238 1.00 0.00 H new ATOM 0 HG3 GLN A 13 19.874 10.310 5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 13 21.665 10.284 3.845 1.00 0.00 H new ATOM 0 HE22 GLN A 13 21.280 11.492 2.614 1.00 0.00 H new ATOM 189 N ILE A 14 18.076 12.609 9.902 1.00 0.00 N ATOM 190 CA ILE A 14 17.600 13.528 10.962 1.00 0.00 C ATOM 191 C ILE A 14 18.286 13.220 12.303 1.00 0.00 C ATOM 192 O ILE A 14 18.703 14.138 13.013 1.00 0.00 O ATOM 193 CB ILE A 14 16.055 13.462 11.091 1.00 0.00 C ATOM 194 CG1 ILE A 14 15.303 13.686 9.756 1.00 0.00 C ATOM 195 CG2 ILE A 14 15.539 14.461 12.146 1.00 0.00 C ATOM 196 CD1 ILE A 14 15.621 14.998 9.033 1.00 0.00 C ATOM 0 H ILE A 14 17.405 11.881 9.657 1.00 0.00 H new ATOM 0 HA ILE A 14 17.869 14.546 10.679 1.00 0.00 H new ATOM 0 HB ILE A 14 15.841 12.442 11.410 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.533 12.857 9.086 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.231 13.650 9.952 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.453 14.391 12.213 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.978 14.226 13.115 1.00 0.00 H new ATOM 0 HG23 ILE A 14 15.820 15.474 11.856 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.042 15.055 8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.363 15.840 9.676 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.684 15.035 8.797 1.00 0.00 H new ATOM 208 N PHE A 15 18.447 11.931 12.622 1.00 0.00 N ATOM 209 CA PHE A 15 19.116 11.446 13.832 1.00 0.00 C ATOM 210 C PHE A 15 20.654 11.360 13.697 1.00 0.00 C ATOM 211 O PHE A 15 21.344 11.226 14.708 1.00 0.00 O ATOM 212 CB PHE A 15 18.519 10.078 14.182 1.00 0.00 C ATOM 213 CG PHE A 15 17.051 10.110 14.575 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.672 10.621 15.833 1.00 0.00 C ATOM 215 CD2 PHE A 15 16.070 9.634 13.687 1.00 0.00 C ATOM 216 CE1 PHE A 15 15.315 10.653 16.200 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.709 9.682 14.053 1.00 0.00 C ATOM 218 CZ PHE A 15 14.330 10.179 15.313 1.00 0.00 C ATOM 0 H PHE A 15 18.105 11.176 12.028 1.00 0.00 H new ATOM 0 HA PHE A 15 18.942 12.166 14.632 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.638 9.414 13.325 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.092 9.645 15.002 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.424 10.988 16.515 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.358 9.233 12.727 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.028 11.042 17.165 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.954 9.336 13.363 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.289 10.197 15.599 1.00 0.00 H new ATOM 228 N GLY A 16 21.193 11.426 12.474 1.00 0.00 N ATOM 229 CA GLY A 16 22.631 11.283 12.182 1.00 0.00 C ATOM 230 C GLY A 16 23.088 9.825 12.030 1.00 0.00 C ATOM 231 O GLY A 16 24.279 9.545 12.162 1.00 0.00 O ATOM 0 H GLY A 16 20.631 11.584 11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.862 11.824 11.265 1.00 0.00 H new ATOM 0 HA3 GLY A 16 23.204 11.752 12.982 1.00 0.00 H new ATOM 235 N LEU A 17 22.159 8.900 11.765 1.00 0.00 N ATOM 236 CA LEU A 17 22.440 7.491 11.476 1.00 0.00 C ATOM 237 C LEU A 17 23.067 7.352 10.075 1.00 0.00 C ATOM 238 O LEU A 17 22.686 8.057 9.137 1.00 0.00 O ATOM 239 CB LEU A 17 21.136 6.673 11.587 1.00 0.00 C ATOM 240 CG LEU A 17 20.481 6.652 12.985 1.00 0.00 C ATOM 241 CD1 LEU A 17 19.123 5.953 12.874 1.00 0.00 C ATOM 242 CD2 LEU A 17 21.339 5.941 14.038 1.00 0.00 C ATOM 0 H LEU A 17 21.163 9.118 11.745 1.00 0.00 H new ATOM 0 HA LEU A 17 23.155 7.104 12.202 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.415 7.072 10.873 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.345 5.646 11.288 1.00 0.00 H new ATOM 0 HG LEU A 17 20.370 7.684 13.317 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.645 5.929 13.853 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.489 6.498 12.174 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.267 4.934 12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 17 20.825 5.959 14.999 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.505 4.907 13.735 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.298 6.450 14.130 1.00 0.00 H new ATOM 254 N ASP A 18 24.010 6.424 9.932 1.00 0.00 N ATOM 255 CA ASP A 18 24.733 6.137 8.691 1.00 0.00 C ATOM 256 C ASP A 18 24.615 4.650 8.334 1.00 0.00 C ATOM 257 O ASP A 18 25.022 3.787 9.113 1.00 0.00 O ATOM 258 CB ASP A 18 26.207 6.552 8.847 1.00 0.00 C ATOM 259 CG ASP A 18 27.030 6.269 7.582 1.00 0.00 C ATOM 260 OD1 ASP A 18 26.675 6.806 6.506 1.00 0.00 O ATOM 261 OD2 ASP A 18 28.035 5.523 7.664 1.00 0.00 O ATOM 0 H ASP A 18 24.304 5.828 10.705 1.00 0.00 H new ATOM 0 HA ASP A 18 24.292 6.711 7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 18 26.260 7.615 9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 18 26.645 6.017 9.690 1.00 0.00 H new ATOM 266 N CYS A 19 24.080 4.362 7.142 1.00 0.00 N ATOM 267 CA CYS A 19 23.828 3.011 6.620 1.00 0.00 C ATOM 268 C CYS A 19 24.076 2.962 5.101 1.00 0.00 C ATOM 269 O CYS A 19 23.703 3.893 4.380 1.00 0.00 O ATOM 270 CB CYS A 19 22.371 2.614 6.928 1.00 0.00 C ATOM 271 SG CYS A 19 22.208 2.121 8.668 1.00 0.00 S ATOM 0 H CYS A 19 23.799 5.092 6.487 1.00 0.00 H new ATOM 0 HA CYS A 19 24.510 2.310 7.100 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.706 3.451 6.716 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.066 1.793 6.280 1.00 0.00 H new ATOM 0 HG CYS A 19 23.220 2.576 9.345 1.00 0.00 H new ATOM 277 N GLU A 20 24.648 1.860 4.616 1.00 0.00 N ATOM 278 CA GLU A 20 24.650 1.504 3.194 1.00 0.00 C ATOM 279 C GLU A 20 23.267 0.995 2.757 1.00 0.00 C ATOM 280 O GLU A 20 22.424 0.664 3.597 1.00 0.00 O ATOM 281 CB GLU A 20 25.753 0.475 2.881 1.00 0.00 C ATOM 282 CG GLU A 20 25.630 -0.852 3.637 1.00 0.00 C ATOM 283 CD GLU A 20 26.800 -1.784 3.292 1.00 0.00 C ATOM 284 OE1 GLU A 20 26.765 -2.420 2.215 1.00 0.00 O ATOM 285 OE2 GLU A 20 27.760 -1.890 4.091 1.00 0.00 O ATOM 0 H GLU A 20 25.129 1.180 5.205 1.00 0.00 H new ATOM 0 HA GLU A 20 24.870 2.404 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.744 0.269 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.721 0.920 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.613 -0.664 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.687 -1.335 3.383 1.00 0.00 H new ATOM 292 N GLU A 21 23.038 0.876 1.445 1.00 0.00 N ATOM 293 CA GLU A 21 21.771 0.373 0.892 1.00 0.00 C ATOM 294 C GLU A 21 21.379 -0.996 1.468 1.00 0.00 C ATOM 295 O GLU A 21 20.209 -1.221 1.774 1.00 0.00 O ATOM 296 CB GLU A 21 21.847 0.297 -0.644 1.00 0.00 C ATOM 297 CG GLU A 21 21.955 1.687 -1.289 1.00 0.00 C ATOM 298 CD GLU A 21 21.989 1.581 -2.818 1.00 0.00 C ATOM 299 OE1 GLU A 21 23.094 1.421 -3.399 1.00 0.00 O ATOM 300 OE2 GLU A 21 20.910 1.658 -3.454 1.00 0.00 O ATOM 0 H GLU A 21 23.725 1.125 0.734 1.00 0.00 H new ATOM 0 HA GLU A 21 20.996 1.081 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.709 -0.304 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.961 -0.211 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.108 2.301 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.857 2.187 -0.935 1.00 0.00 H new ATOM 307 N ALA A 22 22.350 -1.887 1.704 1.00 0.00 N ATOM 308 CA ALA A 22 22.108 -3.211 2.291 1.00 0.00 C ATOM 309 C ALA A 22 21.657 -3.153 3.765 1.00 0.00 C ATOM 310 O ALA A 22 20.961 -4.060 4.227 1.00 0.00 O ATOM 311 CB ALA A 22 23.378 -4.052 2.126 1.00 0.00 C ATOM 0 H ALA A 22 23.332 -1.709 1.492 1.00 0.00 H new ATOM 0 HA ALA A 22 21.276 -3.674 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.218 -5.041 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.614 -4.151 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.207 -3.563 2.638 1.00 0.00 H new ATOM 317 N LEU A 23 22.005 -2.085 4.498 1.00 0.00 N ATOM 318 CA LEU A 23 21.532 -1.833 5.866 1.00 0.00 C ATOM 319 C LEU A 23 20.225 -1.027 5.880 1.00 0.00 C ATOM 320 O LEU A 23 19.381 -1.292 6.730 1.00 0.00 O ATOM 321 CB LEU A 23 22.626 -1.141 6.694 1.00 0.00 C ATOM 322 CG LEU A 23 23.861 -2.009 7.019 1.00 0.00 C ATOM 323 CD1 LEU A 23 24.854 -1.181 7.846 1.00 0.00 C ATOM 324 CD2 LEU A 23 23.504 -3.301 7.771 1.00 0.00 C ATOM 0 H LEU A 23 22.633 -1.361 4.150 1.00 0.00 H new ATOM 0 HA LEU A 23 21.313 -2.797 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.959 -0.254 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.187 -0.799 7.631 1.00 0.00 H new ATOM 0 HG LEU A 23 24.307 -2.311 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.729 -1.788 8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.162 -0.305 7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.378 -0.861 8.773 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.413 -3.869 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.018 -3.051 8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 23 22.828 -3.901 7.162 1.00 0.00 H new ATOM 336 N ILE A 24 19.983 -0.125 4.920 1.00 0.00 N ATOM 337 CA ILE A 24 18.653 0.495 4.725 1.00 0.00 C ATOM 338 C ILE A 24 17.606 -0.599 4.447 1.00 0.00 C ATOM 339 O ILE A 24 16.568 -0.659 5.113 1.00 0.00 O ATOM 340 CB ILE A 24 18.717 1.572 3.615 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.638 2.748 4.045 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.309 2.103 3.276 1.00 0.00 C ATOM 343 CD1 ILE A 24 20.059 3.673 2.900 1.00 0.00 C ATOM 0 H ILE A 24 20.691 0.197 4.260 1.00 0.00 H new ATOM 0 HA ILE A 24 18.344 1.010 5.635 1.00 0.00 H new ATOM 0 HB ILE A 24 19.134 1.105 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.123 3.339 4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.533 2.340 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.384 2.858 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.684 1.281 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.863 2.546 4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.699 4.465 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.605 3.100 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.173 4.114 2.444 1.00 0.00 H new ATOM 355 N GLU A 25 17.926 -1.532 3.545 1.00 0.00 N ATOM 356 CA GLU A 25 17.128 -2.737 3.307 1.00 0.00 C ATOM 357 C GLU A 25 16.967 -3.592 4.575 1.00 0.00 C ATOM 358 O GLU A 25 15.900 -4.175 4.772 1.00 0.00 O ATOM 359 CB GLU A 25 17.733 -3.584 2.174 1.00 0.00 C ATOM 360 CG GLU A 25 17.465 -2.982 0.788 1.00 0.00 C ATOM 361 CD GLU A 25 17.974 -3.908 -0.320 1.00 0.00 C ATOM 362 OE1 GLU A 25 19.170 -3.832 -0.693 1.00 0.00 O ATOM 363 OE2 GLU A 25 17.174 -4.723 -0.842 1.00 0.00 O ATOM 0 H GLU A 25 18.755 -1.471 2.954 1.00 0.00 H new ATOM 0 HA GLU A 25 16.136 -2.399 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 25 18.809 -3.675 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.319 -4.591 2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.396 -2.812 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 25 17.954 -2.011 0.709 1.00 0.00 H new ATOM 370 N LYS A 26 17.952 -3.635 5.486 1.00 0.00 N ATOM 371 CA LYS A 26 17.807 -4.342 6.762 1.00 0.00 C ATOM 372 C LYS A 26 16.742 -3.718 7.678 1.00 0.00 C ATOM 373 O LYS A 26 16.011 -4.468 8.323 1.00 0.00 O ATOM 374 CB LYS A 26 19.176 -4.517 7.457 1.00 0.00 C ATOM 375 CG LYS A 26 19.129 -5.336 8.765 1.00 0.00 C ATOM 376 CD LYS A 26 18.616 -6.774 8.580 1.00 0.00 C ATOM 377 CE LYS A 26 18.362 -7.435 9.938 1.00 0.00 C ATOM 378 NZ LYS A 26 17.752 -8.775 9.765 1.00 0.00 N ATOM 0 H LYS A 26 18.859 -3.186 5.359 1.00 0.00 H new ATOM 0 HA LYS A 26 17.431 -5.340 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.862 -5.003 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.588 -3.531 7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.129 -5.370 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.489 -4.821 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.696 -6.765 7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.345 -7.356 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.301 -7.526 10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.704 -6.805 10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.241 -9.038 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.088 -8.754 8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.498 -9.475 9.577 1.00 0.00 H new ATOM 392 N LEU A 27 16.586 -2.389 7.710 1.00 0.00 N ATOM 393 CA LEU A 27 15.492 -1.740 8.455 1.00 0.00 C ATOM 394 C LEU A 27 14.159 -1.826 7.703 1.00 0.00 C ATOM 395 O LEU A 27 13.132 -2.077 8.338 1.00 0.00 O ATOM 396 CB LEU A 27 15.843 -0.281 8.811 1.00 0.00 C ATOM 397 CG LEU A 27 16.893 -0.047 9.917 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.612 -0.856 11.191 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.319 -0.319 9.432 1.00 0.00 C ATOM 0 H LEU A 27 17.204 -1.737 7.228 1.00 0.00 H new ATOM 0 HA LEU A 27 15.370 -2.289 9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.196 0.210 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.923 0.222 9.109 1.00 0.00 H new ATOM 0 HG LEU A 27 16.809 1.010 10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.385 -0.649 11.931 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.639 -0.575 11.594 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.613 -1.920 10.954 1.00 0.00 H new ATOM 0 HD21 LEU A 27 19.021 -0.140 10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.400 -1.355 9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.553 0.345 8.599 1.00 0.00 H new ATOM 411 N VAL A 28 14.157 -1.692 6.371 1.00 0.00 N ATOM 412 CA VAL A 28 12.937 -1.882 5.548 1.00 0.00 C ATOM 413 C VAL A 28 12.375 -3.306 5.705 1.00 0.00 C ATOM 414 O VAL A 28 11.158 -3.470 5.819 1.00 0.00 O ATOM 415 CB VAL A 28 13.196 -1.556 4.056 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.032 -1.963 3.134 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.461 -0.053 3.874 1.00 0.00 C ATOM 0 H VAL A 28 14.987 -1.451 5.830 1.00 0.00 H new ATOM 0 HA VAL A 28 12.189 -1.179 5.915 1.00 0.00 H new ATOM 0 HB VAL A 28 14.070 -2.141 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.278 -1.707 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.865 -3.037 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.128 -1.433 3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.641 0.160 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.594 0.513 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.336 0.235 4.457 1.00 0.00 H new ATOM 427 N GLU A 29 13.241 -4.329 5.789 1.00 0.00 N ATOM 428 CA GLU A 29 12.871 -5.717 6.103 1.00 0.00 C ATOM 429 C GLU A 29 12.046 -5.795 7.398 1.00 0.00 C ATOM 430 O GLU A 29 10.964 -6.391 7.391 1.00 0.00 O ATOM 431 CB GLU A 29 14.136 -6.591 6.192 1.00 0.00 C ATOM 432 CG GLU A 29 13.848 -8.060 6.539 1.00 0.00 C ATOM 433 CD GLU A 29 15.163 -8.852 6.640 1.00 0.00 C ATOM 434 OE1 GLU A 29 15.785 -8.860 7.732 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.578 -9.478 5.635 1.00 0.00 O ATOM 0 H GLU A 29 14.242 -4.210 5.636 1.00 0.00 H new ATOM 0 HA GLU A 29 12.242 -6.099 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.664 -6.549 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.804 -6.173 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.307 -8.118 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.207 -8.502 5.776 1.00 0.00 H new ATOM 442 N LEU A 30 12.492 -5.152 8.487 1.00 0.00 N ATOM 443 CA LEU A 30 11.757 -5.170 9.758 1.00 0.00 C ATOM 444 C LEU A 30 10.356 -4.574 9.602 1.00 0.00 C ATOM 445 O LEU A 30 9.382 -5.143 10.085 1.00 0.00 O ATOM 446 CB LEU A 30 12.513 -4.402 10.865 1.00 0.00 C ATOM 447 CG LEU A 30 13.995 -4.752 11.081 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.525 -4.002 12.307 1.00 0.00 C ATOM 449 CD2 LEU A 30 14.244 -6.260 11.242 1.00 0.00 C ATOM 0 H LEU A 30 13.358 -4.614 8.512 1.00 0.00 H new ATOM 0 HA LEU A 30 11.670 -6.217 10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.447 -3.337 10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.988 -4.563 11.806 1.00 0.00 H new ATOM 0 HG LEU A 30 14.530 -4.442 10.183 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.575 -4.250 12.460 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.426 -2.928 12.148 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.952 -4.293 13.187 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.309 -6.439 11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.690 -6.630 12.104 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.910 -6.782 10.345 1.00 0.00 H new ATOM 461 N CYS A 31 10.242 -3.447 8.895 1.00 0.00 N ATOM 462 CA CYS A 31 8.975 -2.737 8.674 1.00 0.00 C ATOM 463 C CYS A 31 7.927 -3.585 7.928 1.00 0.00 C ATOM 464 O CYS A 31 6.727 -3.380 8.127 1.00 0.00 O ATOM 465 CB CYS A 31 9.265 -1.441 7.905 1.00 0.00 C ATOM 466 SG CYS A 31 10.424 -0.391 8.819 1.00 0.00 S ATOM 0 H CYS A 31 11.040 -2.993 8.451 1.00 0.00 H new ATOM 0 HA CYS A 31 8.541 -2.516 9.649 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.679 -1.680 6.926 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.335 -0.899 7.734 1.00 0.00 H new ATOM 0 HG CYS A 31 11.613 -0.915 8.773 1.00 0.00 H new ATOM 472 N VAL A 32 8.370 -4.520 7.087 1.00 0.00 N ATOM 473 CA VAL A 32 7.516 -5.467 6.343 1.00 0.00 C ATOM 474 C VAL A 32 7.256 -6.753 7.153 1.00 0.00 C ATOM 475 O VAL A 32 6.136 -7.263 7.144 1.00 0.00 O ATOM 476 CB VAL A 32 8.159 -5.797 4.975 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.405 -6.891 4.192 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.212 -4.532 4.096 1.00 0.00 C ATOM 0 H VAL A 32 9.363 -4.649 6.894 1.00 0.00 H new ATOM 0 HA VAL A 32 6.550 -4.992 6.173 1.00 0.00 H new ATOM 0 HB VAL A 32 9.159 -6.170 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.910 -7.073 3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.389 -7.811 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.383 -6.564 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.666 -4.775 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.201 -4.158 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.806 -3.767 4.595 1.00 0.00 H new ATOM 488 N GLN A 33 8.262 -7.267 7.872 1.00 0.00 N ATOM 489 CA GLN A 33 8.182 -8.508 8.657 1.00 0.00 C ATOM 490 C GLN A 33 7.356 -8.329 9.948 1.00 0.00 C ATOM 491 O GLN A 33 6.438 -9.101 10.216 1.00 0.00 O ATOM 492 CB GLN A 33 9.622 -8.973 8.975 1.00 0.00 C ATOM 493 CG GLN A 33 9.702 -10.338 9.687 1.00 0.00 C ATOM 494 CD GLN A 33 9.211 -11.506 8.824 1.00 0.00 C ATOM 495 OE1 GLN A 33 8.136 -12.063 9.035 1.00 0.00 O ATOM 496 NE2 GLN A 33 9.952 -11.896 7.807 1.00 0.00 N ATOM 0 H GLN A 33 9.178 -6.821 7.926 1.00 0.00 H new ATOM 0 HA GLN A 33 7.663 -9.267 8.071 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.188 -9.027 8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.105 -8.221 9.599 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.734 -10.524 9.984 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.110 -10.298 10.601 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.846 -11.440 7.623 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.632 -12.653 7.204 1.00 0.00 H new ATOM 505 N TYR A 34 7.671 -7.301 10.740 1.00 0.00 N ATOM 506 CA TYR A 34 7.041 -6.983 12.026 1.00 0.00 C ATOM 507 C TYR A 34 5.837 -6.031 11.904 1.00 0.00 C ATOM 508 O TYR A 34 5.005 -5.986 12.811 1.00 0.00 O ATOM 509 CB TYR A 34 8.119 -6.387 12.955 1.00 0.00 C ATOM 510 CG TYR A 34 9.184 -7.398 13.355 1.00 0.00 C ATOM 511 CD1 TYR A 34 8.940 -8.305 14.402 1.00 0.00 C ATOM 512 CD2 TYR A 34 10.405 -7.461 12.661 1.00 0.00 C ATOM 513 CE1 TYR A 34 9.890 -9.289 14.735 1.00 0.00 C ATOM 514 CE2 TYR A 34 11.368 -8.438 12.983 1.00 0.00 C ATOM 515 CZ TYR A 34 11.110 -9.360 14.024 1.00 0.00 C ATOM 516 OH TYR A 34 12.035 -10.303 14.345 1.00 0.00 O ATOM 0 H TYR A 34 8.405 -6.637 10.492 1.00 0.00 H new ATOM 0 HA TYR A 34 6.635 -7.906 12.440 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.596 -5.544 12.455 1.00 0.00 H new ATOM 0 HB3 TYR A 34 7.641 -5.996 13.853 1.00 0.00 H new ATOM 0 HD1 TYR A 34 8.015 -8.246 14.956 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.607 -6.752 11.872 1.00 0.00 H new ATOM 0 HE1 TYR A 34 9.687 -9.989 15.532 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.299 -8.483 12.437 1.00 0.00 H new ATOM 0 HH TYR A 34 12.857 -10.141 13.837 1.00 0.00 H new ATOM 526 N GLY A 35 5.742 -5.260 10.809 1.00 0.00 N ATOM 527 CA GLY A 35 4.612 -4.362 10.511 1.00 0.00 C ATOM 528 C GLY A 35 4.569 -3.072 11.344 1.00 0.00 C ATOM 529 O GLY A 35 3.540 -2.393 11.358 1.00 0.00 O ATOM 0 H GLY A 35 6.465 -5.242 10.089 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.650 -4.094 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.682 -4.909 10.668 1.00 0.00 H new ATOM 533 N GLN A 36 5.645 -2.744 12.068 1.00 0.00 N ATOM 534 CA GLN A 36 5.675 -1.667 13.077 1.00 0.00 C ATOM 535 C GLN A 36 6.106 -0.294 12.504 1.00 0.00 C ATOM 536 O GLN A 36 6.198 0.679 13.256 1.00 0.00 O ATOM 537 CB GLN A 36 6.557 -2.157 14.253 1.00 0.00 C ATOM 538 CG GLN A 36 6.323 -1.409 15.585 1.00 0.00 C ATOM 539 CD GLN A 36 7.147 -2.005 16.726 1.00 0.00 C ATOM 540 OE1 GLN A 36 6.657 -2.741 17.576 1.00 0.00 O ATOM 541 NE2 GLN A 36 8.430 -1.717 16.796 1.00 0.00 N ATOM 0 H GLN A 36 6.539 -3.226 11.971 1.00 0.00 H new ATOM 0 HA GLN A 36 4.665 -1.472 13.437 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.373 -3.220 14.411 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.605 -2.054 13.972 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.582 -0.357 15.461 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.265 -1.449 15.842 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.855 -1.107 16.098 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.999 -2.104 17.548 1.00 0.00 H new ATOM 550 N ASN A 37 6.358 -0.198 11.188 1.00 0.00 N ATOM 551 CA ASN A 37 6.684 1.024 10.422 1.00 0.00 C ATOM 552 C ASN A 37 8.101 1.582 10.671 1.00 0.00 C ATOM 553 O ASN A 37 8.779 1.248 11.646 1.00 0.00 O ATOM 554 CB ASN A 37 5.592 2.116 10.571 1.00 0.00 C ATOM 555 CG ASN A 37 4.400 1.842 9.663 1.00 0.00 C ATOM 556 OD1 ASN A 37 3.370 1.334 10.089 1.00 0.00 O ATOM 557 ND2 ASN A 37 4.512 2.183 8.391 1.00 0.00 N ATOM 0 H ASN A 37 6.339 -1.023 10.589 1.00 0.00 H new ATOM 0 HA ASN A 37 6.692 0.703 9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.258 2.159 11.608 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.016 3.091 10.332 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.735 2.024 7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.376 2.605 8.050 1.00 0.00 H new ATOM 564 N GLU A 38 8.535 2.460 9.766 1.00 0.00 N ATOM 565 CA GLU A 38 9.877 3.044 9.701 1.00 0.00 C ATOM 566 C GLU A 38 10.268 3.819 10.964 1.00 0.00 C ATOM 567 O GLU A 38 11.338 3.572 11.518 1.00 0.00 O ATOM 568 CB GLU A 38 10.032 3.878 8.407 1.00 0.00 C ATOM 569 CG GLU A 38 8.955 4.945 8.119 1.00 0.00 C ATOM 570 CD GLU A 38 7.777 4.419 7.280 1.00 0.00 C ATOM 571 OE1 GLU A 38 6.994 3.577 7.785 1.00 0.00 O ATOM 572 OE2 GLU A 38 7.619 4.867 6.124 1.00 0.00 O ATOM 0 H GLU A 38 7.929 2.801 9.020 1.00 0.00 H new ATOM 0 HA GLU A 38 10.591 2.221 9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.000 4.377 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.058 3.189 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.574 5.329 9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.416 5.783 7.597 1.00 0.00 H new ATOM 579 N GLU A 39 9.394 4.690 11.484 1.00 0.00 N ATOM 580 CA GLU A 39 9.649 5.438 12.727 1.00 0.00 C ATOM 581 C GLU A 39 9.699 4.518 13.957 1.00 0.00 C ATOM 582 O GLU A 39 10.471 4.771 14.882 1.00 0.00 O ATOM 583 CB GLU A 39 8.561 6.508 12.930 1.00 0.00 C ATOM 584 CG GLU A 39 8.638 7.629 11.884 1.00 0.00 C ATOM 585 CD GLU A 39 7.563 8.696 12.129 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.774 9.586 12.989 1.00 0.00 O ATOM 587 OE2 GLU A 39 6.498 8.662 11.471 1.00 0.00 O ATOM 0 H GLU A 39 8.491 4.898 11.058 1.00 0.00 H new ATOM 0 HA GLU A 39 10.625 5.912 12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.579 6.037 12.882 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.660 6.938 13.927 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.625 8.091 11.915 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.514 7.207 10.886 1.00 0.00 H new ATOM 594 N GLY A 40 8.940 3.412 13.940 1.00 0.00 N ATOM 595 CA GLY A 40 8.963 2.369 14.968 1.00 0.00 C ATOM 596 C GLY A 40 10.234 1.516 14.946 1.00 0.00 C ATOM 597 O GLY A 40 10.486 0.805 15.918 1.00 0.00 O ATOM 0 H GLY A 40 8.277 3.216 13.190 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.865 2.835 15.949 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.097 1.720 14.835 1.00 0.00 H new ATOM 601 N MET A 41 11.048 1.602 13.886 1.00 0.00 N ATOM 602 CA MET A 41 12.430 1.098 13.872 1.00 0.00 C ATOM 603 C MET A 41 13.432 2.225 14.150 1.00 0.00 C ATOM 604 O MET A 41 14.174 2.163 15.126 1.00 0.00 O ATOM 605 CB MET A 41 12.776 0.402 12.542 1.00 0.00 C ATOM 606 CG MET A 41 11.767 -0.664 12.108 1.00 0.00 C ATOM 607 SD MET A 41 11.366 -1.923 13.342 1.00 0.00 S ATOM 608 CE MET A 41 9.872 -2.524 12.536 1.00 0.00 C ATOM 0 H MET A 41 10.764 2.028 13.004 1.00 0.00 H new ATOM 0 HA MET A 41 12.503 0.357 14.668 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.849 1.157 11.759 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.759 -0.060 12.632 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.844 -0.164 11.814 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.155 -1.164 11.221 1.00 0.00 H new ATOM 0 HE1 MET A 41 9.465 -3.362 13.102 1.00 0.00 H new ATOM 0 HE2 MET A 41 9.134 -1.723 12.493 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.111 -2.851 11.524 1.00 0.00 H new ATOM 618 N VAL A 42 13.439 3.262 13.309 1.00 0.00 N ATOM 619 CA VAL A 42 14.489 4.293 13.241 1.00 0.00 C ATOM 620 C VAL A 42 14.562 5.133 14.527 1.00 0.00 C ATOM 621 O VAL A 42 15.661 5.429 14.989 1.00 0.00 O ATOM 622 CB VAL A 42 14.308 5.196 11.992 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.249 6.409 11.985 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.554 4.381 10.704 1.00 0.00 C ATOM 0 H VAL A 42 12.691 3.416 12.633 1.00 0.00 H new ATOM 0 HA VAL A 42 15.441 3.771 13.147 1.00 0.00 H new ATOM 0 HB VAL A 42 13.283 5.565 12.031 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.073 7.000 11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.059 7.022 12.866 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.284 6.067 11.998 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.424 5.026 9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.569 3.984 10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.843 3.557 10.654 1.00 0.00 H new ATOM 634 N GLY A 43 13.414 5.472 15.136 1.00 0.00 N ATOM 635 CA GLY A 43 13.360 6.254 16.377 1.00 0.00 C ATOM 636 C GLY A 43 13.663 5.430 17.635 1.00 0.00 C ATOM 637 O GLY A 43 14.152 5.978 18.622 1.00 0.00 O ATOM 0 H GLY A 43 12.496 5.209 14.778 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.073 7.076 16.310 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.370 6.699 16.474 1.00 0.00 H new ATOM 641 N GLU A 44 13.423 4.115 17.595 1.00 0.00 N ATOM 642 CA GLU A 44 13.672 3.188 18.712 1.00 0.00 C ATOM 643 C GLU A 44 15.109 2.638 18.706 1.00 0.00 C ATOM 644 O GLU A 44 15.670 2.380 19.774 1.00 0.00 O ATOM 645 CB GLU A 44 12.639 2.048 18.678 1.00 0.00 C ATOM 646 CG GLU A 44 11.189 2.531 18.849 1.00 0.00 C ATOM 647 CD GLU A 44 10.960 3.283 20.168 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.025 2.647 21.247 1.00 0.00 O ATOM 649 OE2 GLU A 44 10.684 4.505 20.143 1.00 0.00 O ATOM 0 H GLU A 44 13.042 3.653 16.769 1.00 0.00 H new ATOM 0 HA GLU A 44 13.561 3.744 19.643 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.727 1.516 17.731 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.871 1.334 19.468 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.928 3.183 18.015 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.518 1.673 18.805 1.00 0.00 H new ATOM 656 N LEU A 45 15.748 2.544 17.533 1.00 0.00 N ATOM 657 CA LEU A 45 17.160 2.189 17.372 1.00 0.00 C ATOM 658 C LEU A 45 18.100 3.175 18.088 1.00 0.00 C ATOM 659 O LEU A 45 19.165 2.772 18.552 1.00 0.00 O ATOM 660 CB LEU A 45 17.441 2.107 15.858 1.00 0.00 C ATOM 661 CG LEU A 45 18.868 1.681 15.453 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.214 0.261 15.934 1.00 0.00 C ATOM 663 CD2 LEU A 45 18.993 1.758 13.921 1.00 0.00 C ATOM 0 H LEU A 45 15.280 2.719 16.644 1.00 0.00 H new ATOM 0 HA LEU A 45 17.358 1.227 17.844 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.735 1.404 15.416 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.237 3.083 15.418 1.00 0.00 H new ATOM 0 HG LEU A 45 19.573 2.361 15.932 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.228 0.009 15.624 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.146 0.218 17.021 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.514 -0.452 15.498 1.00 0.00 H new ATOM 0 HD21 LEU A 45 19.998 1.459 13.622 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.264 1.090 13.462 1.00 0.00 H new ATOM 0 HD23 LEU A 45 18.806 2.780 13.592 1.00 0.00 H new ATOM 675 N ILE A 46 17.698 4.444 18.232 1.00 0.00 N ATOM 676 CA ILE A 46 18.474 5.481 18.940 1.00 0.00 C ATOM 677 C ILE A 46 18.743 5.090 20.394 1.00 0.00 C ATOM 678 O ILE A 46 19.857 5.274 20.884 1.00 0.00 O ATOM 679 CB ILE A 46 17.752 6.856 18.883 1.00 0.00 C ATOM 680 CG1 ILE A 46 17.290 7.267 17.471 1.00 0.00 C ATOM 681 CG2 ILE A 46 18.653 7.955 19.485 1.00 0.00 C ATOM 682 CD1 ILE A 46 18.383 7.228 16.399 1.00 0.00 C ATOM 0 H ILE A 46 16.814 4.788 17.857 1.00 0.00 H new ATOM 0 HA ILE A 46 19.433 5.567 18.429 1.00 0.00 H new ATOM 0 HB ILE A 46 16.845 6.742 19.476 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.477 6.609 17.165 1.00 0.00 H new ATOM 0 HG13 ILE A 46 16.882 8.277 17.517 1.00 0.00 H new ATOM 0 HG21 ILE A 46 18.137 8.914 19.440 1.00 0.00 H new ATOM 0 HG22 ILE A 46 18.878 7.713 20.524 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.582 8.016 18.917 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.963 7.533 15.440 1.00 0.00 H new ATOM 0 HD12 ILE A 46 19.188 7.909 16.675 1.00 0.00 H new ATOM 0 HD13 ILE A 46 18.776 6.215 16.317 1.00 0.00 H new ATOM 694 N ALA A 47 17.752 4.503 21.076 1.00 0.00 N ATOM 695 CA ALA A 47 17.886 4.058 22.462 1.00 0.00 C ATOM 696 C ALA A 47 18.925 2.930 22.590 1.00 0.00 C ATOM 697 O ALA A 47 19.718 2.939 23.532 1.00 0.00 O ATOM 698 CB ALA A 47 16.506 3.634 22.985 1.00 0.00 C ATOM 0 H ALA A 47 16.831 4.324 20.676 1.00 0.00 H new ATOM 0 HA ALA A 47 18.254 4.881 23.074 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.596 3.300 24.019 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.822 4.481 22.935 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.120 2.819 22.373 1.00 0.00 H new ATOM 704 N PHE A 48 18.969 2.000 21.629 1.00 0.00 N ATOM 705 CA PHE A 48 19.974 0.933 21.597 1.00 0.00 C ATOM 706 C PHE A 48 21.376 1.498 21.330 1.00 0.00 C ATOM 707 O PHE A 48 22.305 1.180 22.074 1.00 0.00 O ATOM 708 CB PHE A 48 19.562 -0.136 20.572 1.00 0.00 C ATOM 709 CG PHE A 48 20.496 -1.333 20.443 1.00 0.00 C ATOM 710 CD1 PHE A 48 21.173 -1.861 21.566 1.00 0.00 C ATOM 711 CD2 PHE A 48 20.660 -1.951 19.188 1.00 0.00 C ATOM 712 CE1 PHE A 48 22.019 -2.978 21.432 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.503 -3.070 19.056 1.00 0.00 C ATOM 714 CZ PHE A 48 22.188 -3.582 20.175 1.00 0.00 C ATOM 0 H PHE A 48 18.309 1.967 20.852 1.00 0.00 H new ATOM 0 HA PHE A 48 20.022 0.455 22.575 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.570 -0.501 20.837 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.476 0.340 19.595 1.00 0.00 H new ATOM 0 HD1 PHE A 48 21.040 -1.403 22.535 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.138 -1.565 18.325 1.00 0.00 H new ATOM 0 HE1 PHE A 48 22.537 -3.370 22.294 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.625 -3.539 18.091 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.841 -4.436 20.067 1.00 0.00 H new ATOM 724 N CYS A 49 21.535 2.386 20.340 1.00 0.00 N ATOM 725 CA CYS A 49 22.807 3.070 20.042 1.00 0.00 C ATOM 726 C CYS A 49 23.337 3.896 21.231 1.00 0.00 C ATOM 727 O CYS A 49 24.540 3.870 21.509 1.00 0.00 O ATOM 728 CB CYS A 49 22.625 3.944 18.792 1.00 0.00 C ATOM 729 SG CYS A 49 22.362 2.894 17.332 1.00 0.00 S ATOM 0 H CYS A 49 20.776 2.655 19.714 1.00 0.00 H new ATOM 0 HA CYS A 49 23.564 2.309 19.853 1.00 0.00 H new ATOM 0 HB2 CYS A 49 21.775 4.613 18.927 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.504 4.571 18.645 1.00 0.00 H new ATOM 0 HG CYS A 49 22.207 3.643 16.281 1.00 0.00 H new ATOM 735 N THR A 50 22.439 4.571 21.969 1.00 0.00 N ATOM 736 CA THR A 50 22.752 5.337 23.195 1.00 0.00 C ATOM 737 C THR A 50 23.128 4.402 24.343 1.00 0.00 C ATOM 738 O THR A 50 24.094 4.660 25.056 1.00 0.00 O ATOM 739 CB THR A 50 21.567 6.236 23.588 1.00 0.00 C ATOM 740 OG1 THR A 50 21.275 7.108 22.515 1.00 0.00 O ATOM 741 CG2 THR A 50 21.875 7.118 24.803 1.00 0.00 C ATOM 0 H THR A 50 21.449 4.602 21.726 1.00 0.00 H new ATOM 0 HA THR A 50 23.611 5.974 22.987 1.00 0.00 H new ATOM 0 HB THR A 50 20.735 5.574 23.830 1.00 0.00 H new ATOM 0 HG1 THR A 50 20.783 6.620 21.822 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.005 7.732 25.037 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.115 6.487 25.659 1.00 0.00 H new ATOM 0 HG23 THR A 50 22.724 7.763 24.578 1.00 0.00 H new ATOM 749 N SER A 51 22.409 3.292 24.511 1.00 0.00 N ATOM 750 CA SER A 51 22.660 2.299 25.565 1.00 0.00 C ATOM 751 C SER A 51 24.018 1.582 25.422 1.00 0.00 C ATOM 752 O SER A 51 24.760 1.458 26.408 1.00 0.00 O ATOM 753 CB SER A 51 21.508 1.279 25.595 1.00 0.00 C ATOM 754 OG SER A 51 21.647 0.326 26.642 1.00 0.00 O ATOM 0 H SER A 51 21.621 3.050 23.910 1.00 0.00 H new ATOM 0 HA SER A 51 22.706 2.840 26.510 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.562 1.808 25.714 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.464 0.758 24.638 1.00 0.00 H new ATOM 0 HG SER A 51 20.891 -0.297 26.619 1.00 0.00 H new ATOM 760 N THR A 52 24.379 1.147 24.200 1.00 0.00 N ATOM 761 CA THR A 52 25.703 0.569 23.906 1.00 0.00 C ATOM 762 C THR A 52 26.798 1.641 23.847 1.00 0.00 C ATOM 763 O THR A 52 27.952 1.361 24.172 1.00 0.00 O ATOM 764 CB THR A 52 25.637 -0.312 22.645 1.00 0.00 C ATOM 765 OG1 THR A 52 26.764 -1.164 22.628 1.00 0.00 O ATOM 766 CG2 THR A 52 25.619 0.462 21.331 1.00 0.00 C ATOM 0 H THR A 52 23.761 1.187 23.390 1.00 0.00 H new ATOM 0 HA THR A 52 25.988 -0.082 24.732 1.00 0.00 H new ATOM 0 HB THR A 52 24.694 -0.855 22.707 1.00 0.00 H new ATOM 0 HG1 THR A 52 26.733 -1.732 21.830 1.00 0.00 H new ATOM 0 HG21 THR A 52 25.572 -0.238 20.497 1.00 0.00 H new ATOM 0 HG22 THR A 52 24.747 1.116 21.306 1.00 0.00 H new ATOM 0 HG23 THR A 52 26.525 1.062 21.250 1.00 0.00 H new ATOM 774 N HIS A 53 26.420 2.876 23.509 1.00 0.00 N ATOM 775 CA HIS A 53 27.170 4.133 23.672 1.00 0.00 C ATOM 776 C HIS A 53 28.223 4.332 22.553 1.00 0.00 C ATOM 777 O HIS A 53 29.376 4.702 22.798 1.00 0.00 O ATOM 778 CB HIS A 53 27.703 4.266 25.116 1.00 0.00 C ATOM 779 CG HIS A 53 27.986 5.690 25.519 1.00 0.00 C ATOM 780 ND1 HIS A 53 29.111 6.416 25.216 1.00 0.00 N ATOM 781 CD2 HIS A 53 27.169 6.506 26.259 1.00 0.00 C ATOM 782 CE1 HIS A 53 28.978 7.639 25.754 1.00 0.00 C ATOM 783 NE2 HIS A 53 27.807 7.743 26.409 1.00 0.00 N ATOM 0 H HIS A 53 25.510 3.041 23.080 1.00 0.00 H new ATOM 0 HA HIS A 53 26.491 4.975 23.538 1.00 0.00 H new ATOM 0 HB2 HIS A 53 26.975 3.839 25.805 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.617 3.680 25.214 1.00 0.00 H new ATOM 0 HD1 HIS A 53 29.910 6.084 24.676 1.00 0.00 H new ATOM 0 HD2 HIS A 53 26.201 6.240 26.657 1.00 0.00 H new ATOM 0 HE1 HIS A 53 29.709 8.430 25.672 1.00 0.00 H new ATOM 791 N LYS A 54 27.836 4.027 21.308 1.00 0.00 N ATOM 792 CA LYS A 54 28.715 3.992 20.125 1.00 0.00 C ATOM 793 C LYS A 54 28.270 4.972 19.018 1.00 0.00 C ATOM 794 O LYS A 54 27.134 5.459 19.016 1.00 0.00 O ATOM 795 CB LYS A 54 28.761 2.542 19.599 1.00 0.00 C ATOM 796 CG LYS A 54 29.374 1.571 20.620 1.00 0.00 C ATOM 797 CD LYS A 54 29.340 0.115 20.132 1.00 0.00 C ATOM 798 CE LYS A 54 29.701 -0.846 21.274 1.00 0.00 C ATOM 799 NZ LYS A 54 31.128 -0.757 21.674 1.00 0.00 N ATOM 0 H LYS A 54 26.869 3.789 21.085 1.00 0.00 H new ATOM 0 HA LYS A 54 29.711 4.320 20.423 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.751 2.215 19.351 1.00 0.00 H new ATOM 0 HB3 LYS A 54 29.341 2.510 18.677 1.00 0.00 H new ATOM 0 HG2 LYS A 54 30.406 1.861 20.820 1.00 0.00 H new ATOM 0 HG3 LYS A 54 28.832 1.649 21.563 1.00 0.00 H new ATOM 0 HD2 LYS A 54 28.348 -0.123 19.749 1.00 0.00 H new ATOM 0 HD3 LYS A 54 30.040 -0.014 19.306 1.00 0.00 H new ATOM 0 HE2 LYS A 54 29.072 -0.629 22.138 1.00 0.00 H new ATOM 0 HE3 LYS A 54 29.478 -1.868 20.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 31.314 -1.427 22.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 31.732 -0.991 20.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 31.339 0.209 21.995 1.00 0.00 H new ATOM 813 N VAL A 55 29.166 5.231 18.059 1.00 0.00 N ATOM 814 CA VAL A 55 28.917 6.013 16.828 1.00 0.00 C ATOM 815 C VAL A 55 29.187 5.147 15.589 1.00 0.00 C ATOM 816 O VAL A 55 30.079 4.296 15.602 1.00 0.00 O ATOM 817 CB VAL A 55 29.737 7.326 16.771 1.00 0.00 C ATOM 818 CG1 VAL A 55 29.273 8.303 17.864 1.00 0.00 C ATOM 819 CG2 VAL A 55 31.258 7.109 16.892 1.00 0.00 C ATOM 0 H VAL A 55 30.126 4.891 18.115 1.00 0.00 H new ATOM 0 HA VAL A 55 27.868 6.307 16.842 1.00 0.00 H new ATOM 0 HB VAL A 55 29.551 7.748 15.783 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.861 9.219 17.807 1.00 0.00 H new ATOM 0 HG12 VAL A 55 28.219 8.539 17.717 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.409 7.845 18.843 1.00 0.00 H new ATOM 0 HG21 VAL A 55 31.768 8.071 16.844 1.00 0.00 H new ATOM 0 HG22 VAL A 55 31.482 6.627 17.843 1.00 0.00 H new ATOM 0 HG23 VAL A 55 31.601 6.475 16.074 1.00 0.00 H new ATOM 829 N GLY A 56 28.394 5.349 14.529 1.00 0.00 N ATOM 830 CA GLY A 56 28.375 4.499 13.331 1.00 0.00 C ATOM 831 C GLY A 56 27.562 3.214 13.534 1.00 0.00 C ATOM 832 O GLY A 56 27.262 2.822 14.663 1.00 0.00 O ATOM 0 H GLY A 56 27.733 6.125 14.479 1.00 0.00 H new ATOM 0 HA2 GLY A 56 27.956 5.062 12.497 1.00 0.00 H new ATOM 0 HA3 GLY A 56 29.398 4.239 13.058 1.00 0.00 H new ATOM 836 N LEU A 57 27.203 2.551 12.428 1.00 0.00 N ATOM 837 CA LEU A 57 26.411 1.312 12.409 1.00 0.00 C ATOM 838 C LEU A 57 27.036 0.261 11.477 1.00 0.00 C ATOM 839 O LEU A 57 27.916 0.563 10.662 1.00 0.00 O ATOM 840 CB LEU A 57 24.935 1.593 12.049 1.00 0.00 C ATOM 841 CG LEU A 57 24.181 2.489 13.056 1.00 0.00 C ATOM 842 CD1 LEU A 57 24.214 3.969 12.634 1.00 0.00 C ATOM 843 CD2 LEU A 57 22.715 2.042 13.178 1.00 0.00 C ATOM 0 H LEU A 57 27.462 2.870 11.494 1.00 0.00 H new ATOM 0 HA LEU A 57 26.424 0.896 13.417 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.899 2.065 11.067 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.409 0.642 11.966 1.00 0.00 H new ATOM 0 HG LEU A 57 24.685 2.386 14.017 1.00 0.00 H new ATOM 0 HD11 LEU A 57 23.673 4.568 13.367 1.00 0.00 H new ATOM 0 HD12 LEU A 57 25.248 4.309 12.579 1.00 0.00 H new ATOM 0 HD13 LEU A 57 23.744 4.079 11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.197 2.683 13.891 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.230 2.116 12.205 1.00 0.00 H new ATOM 0 HD23 LEU A 57 22.677 1.009 13.525 1.00 0.00 H new ATOM 855 N THR A 58 26.578 -0.986 11.637 1.00 0.00 N ATOM 856 CA THR A 58 27.151 -2.220 11.086 1.00 0.00 C ATOM 857 C THR A 58 26.206 -3.383 11.380 1.00 0.00 C ATOM 858 O THR A 58 25.402 -3.306 12.308 1.00 0.00 O ATOM 859 CB THR A 58 28.579 -2.446 11.621 1.00 0.00 C ATOM 860 OG1 THR A 58 29.087 -3.646 11.083 1.00 0.00 O ATOM 861 CG2 THR A 58 28.647 -2.523 13.151 1.00 0.00 C ATOM 0 H THR A 58 25.742 -1.172 12.191 1.00 0.00 H new ATOM 0 HA THR A 58 27.249 -2.140 10.003 1.00 0.00 H new ATOM 0 HB THR A 58 29.174 -1.586 11.314 1.00 0.00 H new ATOM 0 HG1 THR A 58 29.996 -3.796 11.418 1.00 0.00 H new ATOM 0 HG21 THR A 58 29.679 -2.683 13.462 1.00 0.00 H new ATOM 0 HG22 THR A 58 28.280 -1.590 13.579 1.00 0.00 H new ATOM 0 HG23 THR A 58 28.030 -3.351 13.501 1.00 0.00 H new ATOM 869 N SER A 59 26.302 -4.464 10.615 1.00 0.00 N ATOM 870 CA SER A 59 25.423 -5.642 10.697 1.00 0.00 C ATOM 871 C SER A 59 25.326 -6.251 12.110 1.00 0.00 C ATOM 872 O SER A 59 24.277 -6.785 12.471 1.00 0.00 O ATOM 873 CB SER A 59 25.920 -6.714 9.714 1.00 0.00 C ATOM 874 OG SER A 59 26.060 -6.182 8.401 1.00 0.00 O ATOM 0 H SER A 59 27.016 -4.555 9.893 1.00 0.00 H new ATOM 0 HA SER A 59 24.421 -5.300 10.438 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.878 -7.107 10.054 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.220 -7.549 9.698 1.00 0.00 H new ATOM 0 HG SER A 59 26.379 -6.884 7.796 1.00 0.00 H new ATOM 880 N GLU A 60 26.377 -6.127 12.932 1.00 0.00 N ATOM 881 CA GLU A 60 26.379 -6.577 14.334 1.00 0.00 C ATOM 882 C GLU A 60 25.352 -5.823 15.201 1.00 0.00 C ATOM 883 O GLU A 60 24.798 -6.400 16.138 1.00 0.00 O ATOM 884 CB GLU A 60 27.781 -6.421 14.951 1.00 0.00 C ATOM 885 CG GLU A 60 28.843 -7.292 14.270 1.00 0.00 C ATOM 886 CD GLU A 60 30.198 -7.158 14.982 1.00 0.00 C ATOM 887 OE1 GLU A 60 30.999 -6.263 14.611 1.00 0.00 O ATOM 888 OE2 GLU A 60 30.480 -7.946 15.919 1.00 0.00 O ATOM 0 H GLU A 60 27.260 -5.707 12.641 1.00 0.00 H new ATOM 0 HA GLU A 60 26.094 -7.629 14.321 1.00 0.00 H new ATOM 0 HB2 GLU A 60 28.084 -5.376 14.889 1.00 0.00 H new ATOM 0 HB3 GLU A 60 27.735 -6.677 16.010 1.00 0.00 H new ATOM 0 HG2 GLU A 60 28.525 -8.334 14.278 1.00 0.00 H new ATOM 0 HG3 GLU A 60 28.945 -6.998 13.225 1.00 0.00 H new ATOM 895 N ILE A 61 25.057 -4.558 14.886 1.00 0.00 N ATOM 896 CA ILE A 61 24.052 -3.739 15.585 1.00 0.00 C ATOM 897 C ILE A 61 22.656 -4.019 15.016 1.00 0.00 C ATOM 898 O ILE A 61 21.748 -4.342 15.779 1.00 0.00 O ATOM 899 CB ILE A 61 24.445 -2.234 15.536 1.00 0.00 C ATOM 900 CG1 ILE A 61 25.757 -2.020 16.337 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.320 -1.328 16.086 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.310 -0.589 16.314 1.00 0.00 C ATOM 0 H ILE A 61 25.517 -4.061 14.123 1.00 0.00 H new ATOM 0 HA ILE A 61 24.023 -4.014 16.639 1.00 0.00 H new ATOM 0 HB ILE A 61 24.601 -1.954 14.494 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.582 -2.308 17.374 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.518 -2.693 15.943 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.634 -0.286 16.034 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.418 -1.465 15.490 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.113 -1.593 17.123 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.227 -0.544 16.902 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.524 -0.298 15.286 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.573 0.093 16.738 1.00 0.00 H new ATOM 914 N LEU A 62 22.470 -3.944 13.693 1.00 0.00 N ATOM 915 CA LEU A 62 21.147 -4.130 13.080 1.00 0.00 C ATOM 916 C LEU A 62 20.600 -5.559 13.241 1.00 0.00 C ATOM 917 O LEU A 62 19.383 -5.728 13.323 1.00 0.00 O ATOM 918 CB LEU A 62 21.166 -3.677 11.604 1.00 0.00 C ATOM 919 CG LEU A 62 21.334 -2.164 11.313 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.484 -1.279 12.241 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.786 -1.686 11.376 1.00 0.00 C ATOM 0 H LEU A 62 23.218 -3.756 13.025 1.00 0.00 H new ATOM 0 HA LEU A 62 20.450 -3.493 13.624 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.976 -4.206 11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.235 -4.005 11.141 1.00 0.00 H new ATOM 0 HG LEU A 62 20.979 -2.055 10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.643 -0.230 11.990 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.430 -1.526 12.115 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.776 -1.452 13.277 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.827 -0.618 11.162 1.00 0.00 H new ATOM 0 HD22 LEU A 62 23.187 -1.872 12.372 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.379 -2.227 10.639 1.00 0.00 H new ATOM 933 N ASN A 63 21.458 -6.581 13.341 1.00 0.00 N ATOM 934 CA ASN A 63 21.035 -7.944 13.700 1.00 0.00 C ATOM 935 C ASN A 63 20.611 -8.040 15.180 1.00 0.00 C ATOM 936 O ASN A 63 19.609 -8.685 15.498 1.00 0.00 O ATOM 937 CB ASN A 63 22.182 -8.927 13.390 1.00 0.00 C ATOM 938 CG ASN A 63 21.792 -10.378 13.653 1.00 0.00 C ATOM 939 OD1 ASN A 63 21.130 -11.016 12.846 1.00 0.00 O ATOM 940 ND2 ASN A 63 22.178 -10.941 14.786 1.00 0.00 N ATOM 0 H ASN A 63 22.461 -6.490 13.177 1.00 0.00 H new ATOM 0 HA ASN A 63 20.160 -8.206 13.105 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.479 -8.817 12.347 1.00 0.00 H new ATOM 0 HB3 ASN A 63 23.050 -8.671 13.997 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.924 -11.908 14.988 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.730 -10.408 15.458 1.00 0.00 H new ATOM 947 N SER A 64 21.344 -7.390 16.086 1.00 0.00 N ATOM 948 CA SER A 64 21.051 -7.396 17.530 1.00 0.00 C ATOM 949 C SER A 64 19.788 -6.597 17.892 1.00 0.00 C ATOM 950 O SER A 64 19.097 -6.950 18.849 1.00 0.00 O ATOM 951 CB SER A 64 22.238 -6.847 18.333 1.00 0.00 C ATOM 952 OG SER A 64 23.382 -7.682 18.204 1.00 0.00 O ATOM 0 H SER A 64 22.166 -6.838 15.841 1.00 0.00 H new ATOM 0 HA SER A 64 20.872 -8.439 17.792 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.479 -5.841 17.988 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.962 -6.766 19.384 1.00 0.00 H new ATOM 0 HG SER A 64 23.972 -7.323 17.509 1.00 0.00 H new ATOM 958 N PHE A 65 19.425 -5.569 17.110 1.00 0.00 N ATOM 959 CA PHE A 65 18.219 -4.759 17.315 1.00 0.00 C ATOM 960 C PHE A 65 16.915 -5.589 17.281 1.00 0.00 C ATOM 961 O PHE A 65 15.959 -5.256 17.984 1.00 0.00 O ATOM 962 CB PHE A 65 18.209 -3.623 16.276 1.00 0.00 C ATOM 963 CG PHE A 65 17.007 -2.697 16.389 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.821 -1.900 17.535 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.050 -2.661 15.352 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.687 -1.075 17.644 1.00 0.00 C ATOM 967 CE2 PHE A 65 14.922 -1.827 15.457 1.00 0.00 C ATOM 968 CZ PHE A 65 14.742 -1.035 16.602 1.00 0.00 C ATOM 0 H PHE A 65 19.973 -5.273 16.302 1.00 0.00 H new ATOM 0 HA PHE A 65 18.253 -4.337 18.320 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.120 -3.035 16.386 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.228 -4.057 15.276 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.550 -1.922 18.331 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.184 -3.276 14.475 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.541 -0.472 18.528 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.196 -1.796 14.658 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.877 -0.394 16.683 1.00 0.00 H new ATOM 978 N GLU A 66 16.884 -6.697 16.525 1.00 0.00 N ATOM 979 CA GLU A 66 15.758 -7.641 16.536 1.00 0.00 C ATOM 980 C GLU A 66 15.623 -8.338 17.896 1.00 0.00 C ATOM 981 O GLU A 66 14.523 -8.422 18.438 1.00 0.00 O ATOM 982 CB GLU A 66 15.905 -8.697 15.433 1.00 0.00 C ATOM 983 CG GLU A 66 15.693 -8.115 14.029 1.00 0.00 C ATOM 984 CD GLU A 66 15.700 -9.232 12.977 1.00 0.00 C ATOM 985 OE1 GLU A 66 14.680 -9.948 12.844 1.00 0.00 O ATOM 986 OE2 GLU A 66 16.732 -9.408 12.290 1.00 0.00 O ATOM 0 H GLU A 66 17.637 -6.963 15.891 1.00 0.00 H new ATOM 0 HA GLU A 66 14.856 -7.058 16.350 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.898 -9.143 15.492 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.185 -9.498 15.603 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.745 -7.578 13.991 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.478 -7.393 13.806 1.00 0.00 H new ATOM 993 N HIS A 67 16.729 -8.804 18.484 1.00 0.00 N ATOM 994 CA HIS A 67 16.741 -9.396 19.830 1.00 0.00 C ATOM 995 C HIS A 67 16.458 -8.356 20.926 1.00 0.00 C ATOM 996 O HIS A 67 15.795 -8.658 21.916 1.00 0.00 O ATOM 997 CB HIS A 67 18.106 -10.057 20.070 1.00 0.00 C ATOM 998 CG HIS A 67 18.275 -10.596 21.472 1.00 0.00 C ATOM 999 ND1 HIS A 67 19.220 -10.192 22.388 1.00 0.00 N ATOM 1000 CD2 HIS A 67 17.483 -11.526 22.096 1.00 0.00 C ATOM 1001 CE1 HIS A 67 19.007 -10.860 23.537 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.942 -11.679 23.415 1.00 0.00 N ATOM 0 H HIS A 67 17.647 -8.782 18.040 1.00 0.00 H new ATOM 0 HA HIS A 67 15.944 -10.138 19.883 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.237 -10.871 19.358 1.00 0.00 H new ATOM 0 HB3 HIS A 67 18.893 -9.330 19.871 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.650 -12.050 21.650 1.00 0.00 H new ATOM 0 HE1 HIS A 67 19.604 -10.755 24.431 1.00 0.00 H new ATOM 0 HE2 HIS A 67 17.550 -12.286 24.134 1.00 0.00 H new ATOM 1010 N GLU A 68 16.956 -7.131 20.751 1.00 0.00 N ATOM 1011 CA GLU A 68 16.882 -6.036 21.722 1.00 0.00 C ATOM 1012 C GLU A 68 15.446 -5.540 21.981 1.00 0.00 C ATOM 1013 O GLU A 68 15.158 -5.051 23.076 1.00 0.00 O ATOM 1014 CB GLU A 68 17.768 -4.897 21.190 1.00 0.00 C ATOM 1015 CG GLU A 68 17.973 -3.712 22.139 1.00 0.00 C ATOM 1016 CD GLU A 68 18.617 -4.085 23.485 1.00 0.00 C ATOM 1017 OE1 GLU A 68 19.510 -4.966 23.532 1.00 0.00 O ATOM 1018 OE2 GLU A 68 18.250 -3.471 24.517 1.00 0.00 O ATOM 0 H GLU A 68 17.442 -6.863 19.895 1.00 0.00 H new ATOM 0 HA GLU A 68 17.233 -6.398 22.688 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.745 -5.310 20.938 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.331 -4.525 20.264 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.598 -2.969 21.644 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.008 -3.242 22.329 1.00 0.00 H new ATOM 1025 N PHE A 69 14.540 -5.656 21.002 1.00 0.00 N ATOM 1026 CA PHE A 69 13.211 -5.037 21.045 1.00 0.00 C ATOM 1027 C PHE A 69 12.137 -5.847 20.306 1.00 0.00 C ATOM 1028 O PHE A 69 11.149 -6.249 20.924 1.00 0.00 O ATOM 1029 CB PHE A 69 13.341 -3.599 20.496 1.00 0.00 C ATOM 1030 CG PHE A 69 12.057 -2.796 20.340 1.00 0.00 C ATOM 1031 CD1 PHE A 69 11.017 -2.880 21.291 1.00 0.00 C ATOM 1032 CD2 PHE A 69 11.910 -1.938 19.231 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.834 -2.138 21.113 1.00 0.00 C ATOM 1034 CE2 PHE A 69 10.726 -1.197 19.056 1.00 0.00 C ATOM 1035 CZ PHE A 69 9.682 -1.307 19.993 1.00 0.00 C ATOM 0 H PHE A 69 14.712 -6.188 20.149 1.00 0.00 H new ATOM 0 HA PHE A 69 12.864 -5.015 22.078 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.008 -3.044 21.156 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.827 -3.652 19.522 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.129 -3.515 22.157 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.710 -1.849 18.512 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.040 -2.209 21.842 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.619 -0.544 18.202 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.766 -0.753 19.850 1.00 0.00 H new ATOM 1045 N LEU A 70 12.292 -6.093 18.998 1.00 0.00 N ATOM 1046 CA LEU A 70 11.226 -6.652 18.154 1.00 0.00 C ATOM 1047 C LEU A 70 10.815 -8.069 18.581 1.00 0.00 C ATOM 1048 O LEU A 70 9.623 -8.346 18.710 1.00 0.00 O ATOM 1049 CB LEU A 70 11.655 -6.631 16.670 1.00 0.00 C ATOM 1050 CG LEU A 70 11.551 -5.285 15.918 1.00 0.00 C ATOM 1051 CD1 LEU A 70 10.120 -4.729 15.947 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.536 -4.234 16.435 1.00 0.00 C ATOM 0 H LEU A 70 13.160 -5.910 18.495 1.00 0.00 H new ATOM 0 HA LEU A 70 10.347 -6.020 18.284 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.690 -6.969 16.614 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.051 -7.363 16.134 1.00 0.00 H new ATOM 0 HG LEU A 70 11.822 -5.503 14.885 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.087 -3.782 15.408 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.444 -5.440 15.473 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.813 -4.569 16.980 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.415 -3.311 15.868 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.341 -4.040 17.490 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.555 -4.601 16.317 1.00 0.00 H new ATOM 1064 N SER A 71 11.776 -8.948 18.849 1.00 0.00 N ATOM 1065 CA SER A 71 11.535 -10.325 19.312 1.00 0.00 C ATOM 1066 C SER A 71 10.862 -10.369 20.699 1.00 0.00 C ATOM 1067 O SER A 71 10.040 -11.250 20.975 1.00 0.00 O ATOM 1068 CB SER A 71 12.882 -11.073 19.336 1.00 0.00 C ATOM 1069 OG SER A 71 12.741 -12.453 19.661 1.00 0.00 O ATOM 0 H SER A 71 12.767 -8.726 18.751 1.00 0.00 H new ATOM 0 HA SER A 71 10.844 -10.809 18.622 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.361 -10.981 18.361 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.543 -10.599 20.062 1.00 0.00 H new ATOM 0 HG SER A 71 13.623 -12.881 19.661 1.00 0.00 H new ATOM 1075 N LYS A 72 11.154 -9.395 21.569 1.00 0.00 N ATOM 1076 CA LYS A 72 10.609 -9.329 22.931 1.00 0.00 C ATOM 1077 C LYS A 72 9.166 -8.796 22.997 1.00 0.00 C ATOM 1078 O LYS A 72 8.450 -9.122 23.950 1.00 0.00 O ATOM 1079 CB LYS A 72 11.530 -8.474 23.824 1.00 0.00 C ATOM 1080 CG LYS A 72 12.972 -8.995 23.885 1.00 0.00 C ATOM 1081 CD LYS A 72 13.751 -8.316 25.027 1.00 0.00 C ATOM 1082 CE LYS A 72 15.266 -8.590 24.984 1.00 0.00 C ATOM 1083 NZ LYS A 72 15.593 -10.037 24.946 1.00 0.00 N ATOM 0 H LYS A 72 11.782 -8.623 21.345 1.00 0.00 H new ATOM 0 HA LYS A 72 10.571 -10.355 23.297 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.537 -7.450 23.451 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.119 -8.443 24.833 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.967 -10.075 24.034 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.472 -8.806 22.935 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.583 -7.240 24.981 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.354 -8.661 25.982 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.693 -8.104 24.107 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.736 -8.140 25.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.610 -10.158 24.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.349 -10.472 25.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.049 -10.496 24.188 1.00 0.00 H new ATOM 1097 N ARG A 73 8.745 -7.958 22.034 1.00 0.00 N ATOM 1098 CA ARG A 73 7.510 -7.150 22.118 1.00 0.00 C ATOM 1099 C ARG A 73 6.469 -7.418 21.014 1.00 0.00 C ATOM 1100 O ARG A 73 5.370 -6.865 21.090 1.00 0.00 O ATOM 1101 CB ARG A 73 7.884 -5.656 22.153 1.00 0.00 C ATOM 1102 CG ARG A 73 8.723 -5.239 23.377 1.00 0.00 C ATOM 1103 CD ARG A 73 8.008 -5.493 24.716 1.00 0.00 C ATOM 1104 NE ARG A 73 8.796 -4.975 25.850 1.00 0.00 N ATOM 1105 CZ ARG A 73 8.748 -3.747 26.363 1.00 0.00 C ATOM 1106 NH1 ARG A 73 7.982 -2.799 25.859 1.00 0.00 N ATOM 1107 NH2 ARG A 73 9.483 -3.451 27.412 1.00 0.00 N ATOM 0 H ARG A 73 9.258 -7.819 21.163 1.00 0.00 H new ATOM 0 HA ARG A 73 7.015 -7.456 23.040 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.439 -5.411 21.247 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.969 -5.064 22.136 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.666 -5.786 23.366 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.968 -4.180 23.298 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.028 -5.017 24.704 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.841 -6.562 24.845 1.00 0.00 H new ATOM 0 HE ARG A 73 9.447 -5.627 26.288 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.397 -2.994 25.046 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.974 -1.871 26.282 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.086 -4.160 27.829 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.450 -2.512 27.809 1.00 0.00 H new ATOM 1121 N LEU A 74 6.752 -8.268 20.022 1.00 0.00 N ATOM 1122 CA LEU A 74 5.787 -8.641 18.975 1.00 0.00 C ATOM 1123 C LEU A 74 4.547 -9.338 19.570 1.00 0.00 C ATOM 1124 O LEU A 74 4.616 -10.481 20.019 1.00 0.00 O ATOM 1125 CB LEU A 74 6.500 -9.503 17.916 1.00 0.00 C ATOM 1126 CG LEU A 74 5.592 -9.997 16.767 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.992 -8.834 15.963 1.00 0.00 C ATOM 1128 CD2 LEU A 74 6.388 -10.922 15.833 1.00 0.00 C ATOM 0 H LEU A 74 7.660 -8.720 19.919 1.00 0.00 H new ATOM 0 HA LEU A 74 5.414 -7.740 18.488 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.320 -8.926 17.490 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.942 -10.369 18.409 1.00 0.00 H new ATOM 0 HG LEU A 74 4.765 -10.547 17.216 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.361 -9.229 15.167 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.393 -8.207 16.623 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.796 -8.240 15.528 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.742 -11.267 15.025 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.233 -10.376 15.414 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.754 -11.780 16.396 1.00 0.00 H new ATOM 1140 N SER A 75 3.396 -8.668 19.545 1.00 0.00 N ATOM 1141 CA SER A 75 2.140 -9.150 20.156 1.00 0.00 C ATOM 1142 C SER A 75 1.503 -10.365 19.449 1.00 0.00 C ATOM 1143 O SER A 75 0.616 -11.016 20.007 1.00 0.00 O ATOM 1144 CB SER A 75 1.134 -7.994 20.223 1.00 0.00 C ATOM 1145 OG SER A 75 1.675 -6.889 20.934 1.00 0.00 O ATOM 0 H SER A 75 3.299 -7.758 19.094 1.00 0.00 H new ATOM 0 HA SER A 75 2.403 -9.502 21.153 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.863 -7.684 19.214 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.219 -8.331 20.710 1.00 0.00 H new ATOM 0 HG SER A 75 1.104 -6.684 21.703 1.00 0.00 H new ATOM 1151 N LYS A 76 1.982 -10.706 18.247 1.00 0.00 N ATOM 1152 CA LYS A 76 1.659 -11.959 17.554 1.00 0.00 C ATOM 1153 C LYS A 76 2.439 -13.174 18.117 1.00 0.00 C ATOM 1154 O LYS A 76 1.975 -14.316 18.010 1.00 0.00 O ATOM 1155 CB LYS A 76 1.915 -11.734 16.045 1.00 0.00 C ATOM 1156 CG LYS A 76 1.469 -12.870 15.111 1.00 0.00 C ATOM 1157 CD LYS A 76 -0.022 -13.249 15.192 1.00 0.00 C ATOM 1158 CE LYS A 76 -0.936 -12.057 14.901 1.00 0.00 C ATOM 1159 NZ LYS A 76 -2.370 -12.450 14.920 1.00 0.00 N ATOM 0 H LYS A 76 2.617 -10.108 17.719 1.00 0.00 H new ATOM 0 HA LYS A 76 0.612 -12.212 17.719 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.405 -10.820 15.742 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.982 -11.567 15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.698 -12.584 14.084 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.064 -13.756 15.335 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.232 -14.048 14.481 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.243 -13.640 16.185 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.762 -11.275 15.641 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.686 -11.635 13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.961 -11.618 14.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.540 -13.178 14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.614 -12.829 15.857 1.00 0.00 H new ATOM 1173 N ALA A 77 3.605 -12.947 18.730 1.00 0.00 N ATOM 1174 CA ALA A 77 4.479 -13.975 19.309 1.00 0.00 C ATOM 1175 C ALA A 77 4.319 -14.115 20.839 1.00 0.00 C ATOM 1176 O ALA A 77 4.430 -15.231 21.353 1.00 0.00 O ATOM 1177 CB ALA A 77 5.927 -13.627 18.933 1.00 0.00 C ATOM 0 H ALA A 77 3.982 -12.006 18.841 1.00 0.00 H new ATOM 0 HA ALA A 77 4.196 -14.945 18.901 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.601 -14.375 19.350 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.028 -13.613 17.848 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.181 -12.646 19.334 1.00 0.00 H new ATOM 1183 N ARG A 78 4.045 -13.011 21.554 1.00 0.00 N ATOM 1184 CA ARG A 78 3.779 -12.991 23.007 1.00 0.00 C ATOM 1185 C ARG A 78 2.531 -13.802 23.395 1.00 0.00 C ATOM 1186 O ARG A 78 2.604 -14.581 24.373 1.00 0.00 O ATOM 1187 CB ARG A 78 3.681 -11.544 23.521 1.00 0.00 C ATOM 1188 CG ARG A 78 5.041 -10.823 23.548 1.00 0.00 C ATOM 1189 CD ARG A 78 4.970 -9.490 24.313 1.00 0.00 C ATOM 1190 NE ARG A 78 4.204 -8.449 23.608 1.00 0.00 N ATOM 1191 CZ ARG A 78 3.848 -7.276 24.103 1.00 0.00 C ATOM 1192 NH1 ARG A 78 4.167 -6.900 25.311 1.00 0.00 N ATOM 1193 NH2 ARG A 78 3.157 -6.440 23.391 1.00 0.00 N ATOM 1194 OXT ARG A 78 1.476 -13.644 22.736 1.00 0.00 O ATOM 0 H ARG A 78 4.001 -12.084 21.130 1.00 0.00 H new ATOM 0 HA ARG A 78 4.626 -13.478 23.491 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.992 -10.985 22.888 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.258 -11.549 24.526 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.785 -11.469 24.014 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.374 -10.638 22.527 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.518 -9.664 25.289 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.983 -9.128 24.491 1.00 0.00 H new ATOM 0 HE ARG A 78 3.922 -8.652 22.649 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.711 -7.520 25.911 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.873 -5.986 25.655 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.883 -6.685 22.440 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.888 -5.538 23.783 1.00 0.00 H new TER 1208 ARG A 78