USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 48 GLN : amide:sc= -5.76! C(o=-11!,f=-10!) USER MOD Set 1.2: A 49 ASN : amide:sc= -5.2! C(o=-11!,f=-18!) USER MOD Set 2.1: A 27 SER OG : rot 150:sc= -0.113 USER MOD Set 2.2: A 75 ASN : amide:sc= -1.68 K(o=-1.8,f=-8.5!) USER MOD Single : A 7 SER OG : rot 20:sc= 1.05 USER MOD Single : A 8 TYR OH : rot 61:sc= -4.94! USER MOD Single : A 13 THR OG1 : rot 74:sc= 0.737 USER MOD Single : A 14 MET CE :methyl -136:sc= -0.0287 (180deg=-2.94!) USER MOD Single : A 18 GLN : amide:sc= -1.05 K(o=-1,f=-3!) USER MOD Single : A 19 SER OG : rot -7:sc= -4.61! USER MOD Single : A 21 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.28) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 13:sc= 0.199 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.301 X(o=0.3,f=-0.044) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -85:sc= 1.42 USER MOD Single : A 53 HIS : no HE2:sc= -3.78! C(o=-3.8!,f=-4!) USER MOD Single : A 54 ASN : amide:sc= -2.82! C(o=-2.8!,f=-3!) USER MOD Single : A 56 SER OG : rot 100:sc= -2.89! USER MOD Single : A 58 ASN : amide:sc= 0.799 K(o=0.8,f=-1.2) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= -0.0863 (180deg=-0.584) USER MOD Single : A 70 ASN : amide:sc= -8.79! C(o=-8.8!,f=-17!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 130:sc= 0.156 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc=-0.00547 X(o=-0.0055,f=0) USER MOD Single : A 83 SER OG : rot 16:sc= 0.111 USER MOD Single : A 86 MET CE :methyl -128:sc= 0 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 11.951 9.315 4.889 1.00 0.00 N ATOM 89 CA SER A 7 12.286 10.564 5.551 1.00 0.00 C ATOM 90 C SER A 7 11.617 11.735 4.827 1.00 0.00 C ATOM 91 O SER A 7 12.005 12.084 3.713 1.00 0.00 O ATOM 92 CB SER A 7 13.801 10.770 5.607 1.00 0.00 C ATOM 93 OG SER A 7 14.351 11.037 4.320 1.00 0.00 O ATOM 0 HA SER A 7 11.916 10.518 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.030 11.598 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.273 9.881 6.026 1.00 0.00 H new ATOM 0 HG SER A 7 13.641 11.341 3.717 1.00 0.00 H new ATOM 99 N TYR A 8 10.624 12.310 5.490 1.00 0.00 N ATOM 100 CA TYR A 8 9.898 13.434 4.924 1.00 0.00 C ATOM 101 C TYR A 8 10.844 14.595 4.609 1.00 0.00 C ATOM 102 O TYR A 8 10.554 15.419 3.743 1.00 0.00 O ATOM 103 CB TYR A 8 8.905 13.879 5.999 1.00 0.00 C ATOM 104 CG TYR A 8 7.614 13.057 6.031 1.00 0.00 C ATOM 105 CD1 TYR A 8 7.673 11.679 6.004 1.00 0.00 C ATOM 106 CD2 TYR A 8 6.392 13.695 6.088 1.00 0.00 C ATOM 107 CE1 TYR A 8 6.458 10.906 6.034 1.00 0.00 C ATOM 108 CE2 TYR A 8 5.177 12.922 6.119 1.00 0.00 C ATOM 109 CZ TYR A 8 5.270 11.565 6.091 1.00 0.00 C ATOM 110 OH TYR A 8 4.123 10.835 6.120 1.00 0.00 O ATOM 0 H TYR A 8 10.305 12.018 6.414 1.00 0.00 H new ATOM 0 HA TYR A 8 9.407 13.145 3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.388 13.816 6.974 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.653 14.927 5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.630 11.180 5.960 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.346 14.774 6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.490 9.827 6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.214 13.409 6.163 1.00 0.00 H new ATOM 0 HH TYR A 8 4.114 10.272 6.922 1.00 0.00 H new ATOM 120 N ILE A 9 11.956 14.622 5.328 1.00 0.00 N ATOM 121 CA ILE A 9 12.947 15.668 5.136 1.00 0.00 C ATOM 122 C ILE A 9 13.281 15.781 3.648 1.00 0.00 C ATOM 123 O ILE A 9 13.431 16.883 3.124 1.00 0.00 O ATOM 124 CB ILE A 9 14.168 15.418 6.024 1.00 0.00 C ATOM 125 CG1 ILE A 9 14.916 14.158 5.585 1.00 0.00 C ATOM 126 CG2 ILE A 9 13.771 15.365 7.500 1.00 0.00 C ATOM 127 CD1 ILE A 9 16.011 14.495 4.571 1.00 0.00 C ATOM 0 H ILE A 9 12.193 13.936 6.045 1.00 0.00 H new ATOM 0 HA ILE A 9 12.548 16.633 5.447 1.00 0.00 H new ATOM 0 HB ILE A 9 14.854 16.257 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.358 13.672 6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.214 13.449 5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.657 15.186 8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.317 16.313 7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.055 14.558 7.655 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.527 13.581 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.563 14.959 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.724 15.185 5.022 1.00 0.00 H new ATOM 139 N ALA A 10 13.387 14.625 3.008 1.00 0.00 N ATOM 140 CA ALA A 10 13.701 14.581 1.590 1.00 0.00 C ATOM 141 C ALA A 10 12.544 15.192 0.797 1.00 0.00 C ATOM 142 O ALA A 10 12.743 16.127 0.024 1.00 0.00 O ATOM 143 CB ALA A 10 13.993 13.137 1.177 1.00 0.00 C ATOM 0 H ALA A 10 13.261 13.712 3.446 1.00 0.00 H new ATOM 0 HA ALA A 10 14.594 15.168 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.229 13.103 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.841 12.759 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.118 12.518 1.374 1.00 0.00 H new ATOM 149 N LEU A 11 11.361 14.638 1.017 1.00 0.00 N ATOM 150 CA LEU A 11 10.172 15.116 0.332 1.00 0.00 C ATOM 151 C LEU A 11 10.089 16.638 0.466 1.00 0.00 C ATOM 152 O LEU A 11 9.656 17.324 -0.458 1.00 0.00 O ATOM 153 CB LEU A 11 8.928 14.385 0.843 1.00 0.00 C ATOM 154 CG LEU A 11 8.552 13.102 0.099 1.00 0.00 C ATOM 155 CD1 LEU A 11 8.788 11.871 0.976 1.00 0.00 C ATOM 156 CD2 LEU A 11 7.114 13.170 -0.418 1.00 0.00 C ATOM 0 H LEU A 11 11.200 13.863 1.660 1.00 0.00 H new ATOM 0 HA LEU A 11 10.230 14.892 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.081 14.141 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.082 15.071 0.795 1.00 0.00 H new ATOM 0 HG LEU A 11 9.203 13.008 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.513 10.973 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.841 11.818 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.179 11.944 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.872 12.246 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.431 13.300 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.013 14.013 -1.102 1.00 0.00 H new ATOM 168 N ILE A 12 10.511 17.122 1.625 1.00 0.00 N ATOM 169 CA ILE A 12 10.490 18.550 1.893 1.00 0.00 C ATOM 170 C ILE A 12 11.601 19.231 1.090 1.00 0.00 C ATOM 171 O ILE A 12 11.398 20.309 0.534 1.00 0.00 O ATOM 172 CB ILE A 12 10.569 18.814 3.397 1.00 0.00 C ATOM 173 CG1 ILE A 12 9.180 18.758 4.037 1.00 0.00 C ATOM 174 CG2 ILE A 12 11.279 20.138 3.685 1.00 0.00 C ATOM 175 CD1 ILE A 12 8.870 17.351 4.552 1.00 0.00 C ATOM 0 H ILE A 12 10.870 16.550 2.390 1.00 0.00 H new ATOM 0 HA ILE A 12 9.546 18.985 1.566 1.00 0.00 H new ATOM 0 HB ILE A 12 11.166 18.023 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.126 19.471 4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 12 8.427 19.056 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.322 20.301 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.292 20.103 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.730 20.955 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.877 17.339 5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.901 16.645 3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.611 17.066 5.299 1.00 0.00 H new ATOM 187 N THR A 13 12.750 18.573 1.055 1.00 0.00 N ATOM 188 CA THR A 13 13.893 19.102 0.329 1.00 0.00 C ATOM 189 C THR A 13 13.493 19.470 -1.101 1.00 0.00 C ATOM 190 O THR A 13 13.797 20.564 -1.572 1.00 0.00 O ATOM 191 CB THR A 13 15.017 18.066 0.398 1.00 0.00 C ATOM 192 OG1 THR A 13 15.446 18.109 1.757 1.00 0.00 O ATOM 193 CG2 THR A 13 16.254 18.490 -0.397 1.00 0.00 C ATOM 0 H THR A 13 12.915 17.679 1.517 1.00 0.00 H new ATOM 0 HA THR A 13 14.255 20.026 0.780 1.00 0.00 H new ATOM 0 HB THR A 13 14.653 17.110 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.778 17.671 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.021 17.720 -0.315 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.985 18.624 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.638 19.429 0.001 1.00 0.00 H new ATOM 201 N MET A 14 12.816 18.534 -1.751 1.00 0.00 N ATOM 202 CA MET A 14 12.371 18.747 -3.118 1.00 0.00 C ATOM 203 C MET A 14 11.186 19.713 -3.165 1.00 0.00 C ATOM 204 O MET A 14 11.013 20.442 -4.141 1.00 0.00 O ATOM 205 CB MET A 14 11.964 17.408 -3.736 1.00 0.00 C ATOM 206 CG MET A 14 10.634 16.919 -3.157 1.00 0.00 C ATOM 207 SD MET A 14 9.965 15.618 -4.179 1.00 0.00 S ATOM 208 CE MET A 14 9.175 16.595 -5.447 1.00 0.00 C ATOM 0 H MET A 14 12.565 17.627 -1.357 1.00 0.00 H new ATOM 0 HA MET A 14 13.193 19.184 -3.684 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.877 17.514 -4.817 1.00 0.00 H new ATOM 0 HB3 MET A 14 12.741 16.666 -3.550 1.00 0.00 H new ATOM 0 HG2 MET A 14 10.783 16.554 -2.141 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.927 17.747 -3.099 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.188 16.185 -5.660 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.074 17.624 -5.103 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.780 16.573 -6.353 1.00 0.00 H new ATOM 218 N ALA A 15 10.401 19.688 -2.098 1.00 0.00 N ATOM 219 CA ALA A 15 9.237 20.553 -2.006 1.00 0.00 C ATOM 220 C ALA A 15 9.694 22.013 -1.959 1.00 0.00 C ATOM 221 O ALA A 15 8.996 22.901 -2.446 1.00 0.00 O ATOM 222 CB ALA A 15 8.407 20.163 -0.781 1.00 0.00 C ATOM 0 H ALA A 15 10.548 19.083 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 15 8.601 20.435 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.534 20.812 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.083 19.127 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.013 20.272 0.119 1.00 0.00 H new ATOM 228 N ILE A 16 10.863 22.215 -1.370 1.00 0.00 N ATOM 229 CA ILE A 16 11.421 23.551 -1.254 1.00 0.00 C ATOM 230 C ILE A 16 12.070 23.946 -2.582 1.00 0.00 C ATOM 231 O ILE A 16 11.810 25.027 -3.107 1.00 0.00 O ATOM 232 CB ILE A 16 12.371 23.633 -0.057 1.00 0.00 C ATOM 233 CG1 ILE A 16 11.632 23.344 1.251 1.00 0.00 C ATOM 234 CG2 ILE A 16 13.093 24.982 -0.022 1.00 0.00 C ATOM 235 CD1 ILE A 16 10.633 24.458 1.574 1.00 0.00 C ATOM 0 H ILE A 16 11.439 21.476 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 16 10.632 24.277 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 16 13.133 22.862 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.108 22.392 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.350 23.247 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.762 25.014 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.672 25.109 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.360 25.785 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.121 24.228 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.164 25.405 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.902 24.536 0.769 1.00 0.00 H new ATOM 247 N LEU A 17 12.901 23.047 -3.088 1.00 0.00 N ATOM 248 CA LEU A 17 13.589 23.287 -4.345 1.00 0.00 C ATOM 249 C LEU A 17 12.557 23.529 -5.448 1.00 0.00 C ATOM 250 O LEU A 17 12.837 24.223 -6.424 1.00 0.00 O ATOM 251 CB LEU A 17 14.560 22.145 -4.651 1.00 0.00 C ATOM 252 CG LEU A 17 15.953 22.263 -4.027 1.00 0.00 C ATOM 253 CD1 LEU A 17 16.733 23.426 -4.645 1.00 0.00 C ATOM 254 CD2 LEU A 17 15.863 22.378 -2.504 1.00 0.00 C ATOM 0 H LEU A 17 13.114 22.151 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 17 14.202 24.186 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.110 21.212 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 17 14.673 22.071 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 17 16.506 21.350 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 17 17.719 23.488 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.843 23.262 -5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.193 24.358 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.866 22.461 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.285 23.264 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.373 21.492 -2.101 1.00 0.00 H new ATOM 266 N GLN A 18 11.384 22.942 -5.256 1.00 0.00 N ATOM 267 CA GLN A 18 10.309 23.085 -6.222 1.00 0.00 C ATOM 268 C GLN A 18 9.983 24.564 -6.439 1.00 0.00 C ATOM 269 O GLN A 18 9.522 24.951 -7.512 1.00 0.00 O ATOM 270 CB GLN A 18 9.067 22.309 -5.779 1.00 0.00 C ATOM 271 CG GLN A 18 8.155 23.183 -4.915 1.00 0.00 C ATOM 272 CD GLN A 18 7.072 23.852 -5.764 1.00 0.00 C ATOM 273 OE1 GLN A 18 6.962 23.635 -6.959 1.00 0.00 O ATOM 274 NE2 GLN A 18 6.281 24.675 -5.081 1.00 0.00 N ATOM 0 H GLN A 18 11.155 22.367 -4.445 1.00 0.00 H new ATOM 0 HA GLN A 18 10.641 22.664 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.520 21.960 -6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.367 21.424 -5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.690 22.574 -4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.748 23.945 -4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.429 24.811 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.527 25.170 -5.557 1.00 0.00 H new ATOM 283 N SER A 19 10.237 25.351 -5.404 1.00 0.00 N ATOM 284 CA SER A 19 9.977 26.779 -5.468 1.00 0.00 C ATOM 285 C SER A 19 11.297 27.553 -5.460 1.00 0.00 C ATOM 286 O SER A 19 11.852 27.828 -4.398 1.00 0.00 O ATOM 287 CB SER A 19 9.090 27.230 -4.305 1.00 0.00 C ATOM 288 OG SER A 19 9.836 27.416 -3.106 1.00 0.00 O ATOM 0 H SER A 19 10.620 25.027 -4.516 1.00 0.00 H new ATOM 0 HA SER A 19 9.447 26.988 -6.397 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.591 28.162 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.310 26.488 -4.135 1.00 0.00 H new ATOM 0 HG SER A 19 10.757 27.111 -3.243 1.00 0.00 H new ATOM 294 N PRO A 20 11.773 27.889 -6.688 1.00 0.00 N ATOM 295 CA PRO A 20 13.017 28.626 -6.832 1.00 0.00 C ATOM 296 C PRO A 20 12.829 30.099 -6.463 1.00 0.00 C ATOM 297 O PRO A 20 13.675 30.934 -6.777 1.00 0.00 O ATOM 298 CB PRO A 20 13.428 28.424 -8.282 1.00 0.00 C ATOM 299 CG PRO A 20 12.173 27.976 -9.012 1.00 0.00 C ATOM 300 CD PRO A 20 11.142 27.579 -7.968 1.00 0.00 C ATOM 0 HA PRO A 20 13.796 28.271 -6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.820 29.347 -8.709 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.216 27.675 -8.364 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.790 28.780 -9.640 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.394 27.135 -9.669 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.213 28.135 -8.097 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.892 26.520 -8.040 1.00 0.00 H new ATOM 308 N GLN A 21 11.714 30.372 -5.803 1.00 0.00 N ATOM 309 CA GLN A 21 11.403 31.729 -5.388 1.00 0.00 C ATOM 310 C GLN A 21 11.401 31.830 -3.861 1.00 0.00 C ATOM 311 O GLN A 21 10.929 32.819 -3.301 1.00 0.00 O ATOM 312 CB GLN A 21 10.065 32.188 -5.970 1.00 0.00 C ATOM 313 CG GLN A 21 10.254 33.385 -6.904 1.00 0.00 C ATOM 314 CD GLN A 21 10.717 34.619 -6.127 1.00 0.00 C ATOM 315 OE1 GLN A 21 9.928 35.383 -5.597 1.00 0.00 O ATOM 316 NE2 GLN A 21 12.038 34.770 -6.089 1.00 0.00 N ATOM 0 H GLN A 21 11.014 29.676 -5.545 1.00 0.00 H new ATOM 0 HA GLN A 21 12.176 32.392 -5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.601 31.366 -6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.386 32.457 -5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.987 33.139 -7.673 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.316 33.603 -7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.642 34.093 -6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.447 35.563 -5.594 1.00 0.00 H new ATOM 325 N LYS A 22 11.933 30.794 -3.230 1.00 0.00 N ATOM 326 CA LYS A 22 11.998 30.753 -1.779 1.00 0.00 C ATOM 327 C LYS A 22 10.699 31.315 -1.199 1.00 0.00 C ATOM 328 O LYS A 22 10.720 32.290 -0.450 1.00 0.00 O ATOM 329 CB LYS A 22 13.255 31.469 -1.279 1.00 0.00 C ATOM 330 CG LYS A 22 14.435 30.500 -1.180 1.00 0.00 C ATOM 331 CD LYS A 22 15.246 30.489 -2.478 1.00 0.00 C ATOM 332 CE LYS A 22 16.747 30.521 -2.186 1.00 0.00 C ATOM 333 NZ LYS A 22 17.201 31.911 -1.958 1.00 0.00 N ATOM 0 H LYS A 22 12.323 29.976 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 22 12.085 29.724 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.506 32.286 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.061 31.913 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.078 30.788 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.069 29.496 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.003 29.597 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.972 31.349 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.966 29.912 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.295 30.085 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.222 31.915 -1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.010 32.482 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.691 32.314 -1.147 1.00 0.00 H new ATOM 347 N LYS A 23 9.599 30.675 -1.567 1.00 0.00 N ATOM 348 CA LYS A 23 8.292 31.099 -1.093 1.00 0.00 C ATOM 349 C LYS A 23 7.228 30.128 -1.607 1.00 0.00 C ATOM 350 O LYS A 23 6.963 30.071 -2.807 1.00 0.00 O ATOM 351 CB LYS A 23 8.031 32.557 -1.474 1.00 0.00 C ATOM 352 CG LYS A 23 8.006 32.730 -2.994 1.00 0.00 C ATOM 353 CD LYS A 23 6.678 33.333 -3.456 1.00 0.00 C ATOM 354 CE LYS A 23 6.784 34.853 -3.594 1.00 0.00 C ATOM 355 NZ LYS A 23 6.290 35.520 -2.369 1.00 0.00 N ATOM 0 H LYS A 23 9.586 29.866 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 23 8.253 31.067 -0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.080 32.882 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.805 33.193 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.829 33.374 -3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.158 31.764 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.390 32.897 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.893 33.083 -2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.821 35.136 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.206 35.187 -4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.369 36.551 -2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.294 35.264 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.859 35.214 -1.554 1.00 0.00 H new ATOM 369 N LEU A 24 6.646 29.389 -0.674 1.00 0.00 N ATOM 370 CA LEU A 24 5.616 28.423 -1.019 1.00 0.00 C ATOM 371 C LEU A 24 4.570 28.380 0.097 1.00 0.00 C ATOM 372 O LEU A 24 4.742 29.010 1.139 1.00 0.00 O ATOM 373 CB LEU A 24 6.241 27.062 -1.329 1.00 0.00 C ATOM 374 CG LEU A 24 7.334 26.590 -0.368 1.00 0.00 C ATOM 375 CD1 LEU A 24 6.814 25.486 0.555 1.00 0.00 C ATOM 376 CD2 LEU A 24 8.587 26.157 -1.132 1.00 0.00 C ATOM 0 H LEU A 24 6.868 29.439 0.320 1.00 0.00 H new ATOM 0 HA LEU A 24 5.099 28.725 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.448 26.315 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.660 27.098 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 24 7.618 27.431 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.611 25.169 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.975 25.865 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.485 24.637 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.348 25.826 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.337 25.338 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.970 26.998 -1.710 1.00 0.00 H new ATOM 388 N THR A 25 3.508 27.630 -0.160 1.00 0.00 N ATOM 389 CA THR A 25 2.435 27.496 0.810 1.00 0.00 C ATOM 390 C THR A 25 2.391 26.071 1.364 1.00 0.00 C ATOM 391 O THR A 25 2.279 25.109 0.606 1.00 0.00 O ATOM 392 CB THR A 25 1.131 27.925 0.133 1.00 0.00 C ATOM 393 OG1 THR A 25 0.872 26.889 -0.810 1.00 0.00 O ATOM 394 CG2 THR A 25 1.302 29.178 -0.727 1.00 0.00 C ATOM 0 H THR A 25 3.368 27.109 -1.026 1.00 0.00 H new ATOM 0 HA THR A 25 2.599 28.141 1.673 1.00 0.00 H new ATOM 0 HB THR A 25 0.371 28.108 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.454 26.123 -0.623 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.347 29.439 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.643 30.004 -0.103 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.038 28.986 -1.508 1.00 0.00 H new ATOM 402 N LEU A 26 2.482 25.981 2.683 1.00 0.00 N ATOM 403 CA LEU A 26 2.455 24.689 3.348 1.00 0.00 C ATOM 404 C LEU A 26 1.288 23.864 2.803 1.00 0.00 C ATOM 405 O LEU A 26 1.458 22.697 2.453 1.00 0.00 O ATOM 406 CB LEU A 26 2.424 24.869 4.867 1.00 0.00 C ATOM 407 CG LEU A 26 1.724 23.763 5.659 1.00 0.00 C ATOM 408 CD1 LEU A 26 2.742 22.800 6.273 1.00 0.00 C ATOM 409 CD2 LEU A 26 0.785 24.354 6.714 1.00 0.00 C ATOM 0 H LEU A 26 2.574 26.781 3.309 1.00 0.00 H new ATOM 0 HA LEU A 26 3.367 24.132 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.451 24.950 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.932 25.816 5.091 1.00 0.00 H new ATOM 0 HG LEU A 26 1.110 23.185 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.218 22.024 6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.333 22.341 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.401 23.348 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.300 23.547 7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.358 24.971 7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.027 24.966 6.225 1.00 0.00 H new ATOM 421 N SER A 27 0.128 24.503 2.747 1.00 0.00 N ATOM 422 CA SER A 27 -1.067 23.842 2.250 1.00 0.00 C ATOM 423 C SER A 27 -0.855 23.397 0.802 1.00 0.00 C ATOM 424 O SER A 27 -1.092 22.239 0.463 1.00 0.00 O ATOM 425 CB SER A 27 -2.286 24.761 2.350 1.00 0.00 C ATOM 426 OG SER A 27 -2.570 25.127 3.697 1.00 0.00 O ATOM 0 H SER A 27 -0.009 25.471 3.038 1.00 0.00 H new ATOM 0 HA SER A 27 -1.255 22.965 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.111 25.660 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.153 24.260 1.920 1.00 0.00 H new ATOM 0 HG SER A 27 -2.982 26.016 3.714 1.00 0.00 H new ATOM 432 N GLY A 28 -0.410 24.341 -0.015 1.00 0.00 N ATOM 433 CA GLY A 28 -0.164 24.061 -1.419 1.00 0.00 C ATOM 434 C GLY A 28 0.795 22.881 -1.582 1.00 0.00 C ATOM 435 O GLY A 28 0.560 21.993 -2.401 1.00 0.00 O ATOM 0 H GLY A 28 -0.214 25.301 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.106 23.840 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.255 24.944 -1.902 1.00 0.00 H new ATOM 439 N ILE A 29 1.857 22.908 -0.790 1.00 0.00 N ATOM 440 CA ILE A 29 2.853 21.851 -0.837 1.00 0.00 C ATOM 441 C ILE A 29 2.210 20.531 -0.407 1.00 0.00 C ATOM 442 O ILE A 29 2.429 19.496 -1.035 1.00 0.00 O ATOM 443 CB ILE A 29 4.081 22.235 -0.009 1.00 0.00 C ATOM 444 CG1 ILE A 29 5.320 22.372 -0.896 1.00 0.00 C ATOM 445 CG2 ILE A 29 4.302 21.244 1.136 1.00 0.00 C ATOM 446 CD1 ILE A 29 5.071 23.361 -2.037 1.00 0.00 C ATOM 0 H ILE A 29 2.049 23.645 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 29 3.214 21.713 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 29 3.898 23.211 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.166 22.709 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.588 21.398 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.181 21.540 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.428 21.240 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.454 20.245 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.967 23.440 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.241 23.009 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.828 24.340 -1.624 1.00 0.00 H new ATOM 458 N CYS A 30 1.429 20.610 0.661 1.00 0.00 N ATOM 459 CA CYS A 30 0.753 19.434 1.182 1.00 0.00 C ATOM 460 C CYS A 30 -0.064 18.809 0.049 1.00 0.00 C ATOM 461 O CYS A 30 -0.189 17.588 -0.029 1.00 0.00 O ATOM 462 CB CYS A 30 -0.118 19.773 2.394 1.00 0.00 C ATOM 463 SG CYS A 30 -0.065 18.403 3.605 1.00 0.00 S ATOM 0 H CYS A 30 1.250 21.470 1.179 1.00 0.00 H new ATOM 0 HA CYS A 30 1.491 18.714 1.537 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.234 20.694 2.859 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.146 19.949 2.076 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.806 18.702 4.631 1.00 0.00 H new ATOM 469 N GLU A 31 -0.599 19.674 -0.799 1.00 0.00 N ATOM 470 CA GLU A 31 -1.401 19.222 -1.924 1.00 0.00 C ATOM 471 C GLU A 31 -0.499 18.669 -3.030 1.00 0.00 C ATOM 472 O GLU A 31 -0.828 17.664 -3.659 1.00 0.00 O ATOM 473 CB GLU A 31 -2.289 20.349 -2.453 1.00 0.00 C ATOM 474 CG GLU A 31 -3.198 19.849 -3.577 1.00 0.00 C ATOM 475 CD GLU A 31 -3.269 20.866 -4.718 1.00 0.00 C ATOM 476 OE1 GLU A 31 -2.215 21.078 -5.356 1.00 0.00 O ATOM 477 OE2 GLU A 31 -4.376 21.409 -4.927 1.00 0.00 O ATOM 0 H GLU A 31 -0.493 20.686 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.055 18.421 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.896 20.750 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.667 21.165 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.824 18.898 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.199 19.665 -3.186 1.00 0.00 H new ATOM 484 N PHE A 32 0.619 19.349 -3.233 1.00 0.00 N ATOM 485 CA PHE A 32 1.570 18.939 -4.252 1.00 0.00 C ATOM 486 C PHE A 32 2.150 17.558 -3.937 1.00 0.00 C ATOM 487 O PHE A 32 2.494 16.804 -4.845 1.00 0.00 O ATOM 488 CB PHE A 32 2.703 19.968 -4.246 1.00 0.00 C ATOM 489 CG PHE A 32 4.092 19.362 -4.036 1.00 0.00 C ATOM 490 CD1 PHE A 32 4.686 18.657 -5.037 1.00 0.00 C ATOM 491 CD2 PHE A 32 4.734 19.529 -2.849 1.00 0.00 C ATOM 492 CE1 PHE A 32 5.975 18.096 -4.841 1.00 0.00 C ATOM 493 CE2 PHE A 32 6.023 18.967 -2.653 1.00 0.00 C ATOM 494 CZ PHE A 32 6.617 18.262 -3.654 1.00 0.00 C ATOM 0 H PHE A 32 0.888 20.182 -2.709 1.00 0.00 H new ATOM 0 HA PHE A 32 1.075 18.883 -5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.693 20.510 -5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.513 20.698 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.177 18.524 -5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.263 20.089 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.446 17.537 -5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.532 19.099 -1.710 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.598 17.835 -3.506 1.00 0.00 H new ATOM 504 N ILE A 33 2.239 17.270 -2.647 1.00 0.00 N ATOM 505 CA ILE A 33 2.771 15.993 -2.201 1.00 0.00 C ATOM 506 C ILE A 33 1.690 14.919 -2.337 1.00 0.00 C ATOM 507 O ILE A 33 1.887 13.919 -3.024 1.00 0.00 O ATOM 508 CB ILE A 33 3.341 16.115 -0.786 1.00 0.00 C ATOM 509 CG1 ILE A 33 4.813 16.533 -0.822 1.00 0.00 C ATOM 510 CG2 ILE A 33 3.132 14.821 0.003 1.00 0.00 C ATOM 511 CD1 ILE A 33 5.156 17.437 0.364 1.00 0.00 C ATOM 0 H ILE A 33 1.952 17.898 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 33 3.606 15.687 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 33 2.795 16.902 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.447 15.646 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.023 17.056 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.546 14.935 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.066 14.606 0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.635 13.999 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.208 17.719 0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.537 18.334 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.968 16.903 1.295 1.00 0.00 H new ATOM 523 N SER A 34 0.570 15.164 -1.671 1.00 0.00 N ATOM 524 CA SER A 34 -0.542 14.231 -1.710 1.00 0.00 C ATOM 525 C SER A 34 -0.785 13.765 -3.147 1.00 0.00 C ATOM 526 O SER A 34 -1.178 12.622 -3.375 1.00 0.00 O ATOM 527 CB SER A 34 -1.812 14.863 -1.135 1.00 0.00 C ATOM 528 OG SER A 34 -2.001 14.527 0.237 1.00 0.00 O ATOM 0 H SER A 34 0.410 15.995 -1.102 1.00 0.00 H new ATOM 0 HA SER A 34 -0.286 13.369 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.757 15.947 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.675 14.531 -1.712 1.00 0.00 H new ATOM 0 HG SER A 34 -2.821 14.951 0.568 1.00 0.00 H new ATOM 534 N ASN A 35 -0.542 14.674 -4.079 1.00 0.00 N ATOM 535 CA ASN A 35 -0.730 14.371 -5.488 1.00 0.00 C ATOM 536 C ASN A 35 0.315 13.343 -5.927 1.00 0.00 C ATOM 537 O ASN A 35 -0.014 12.364 -6.595 1.00 0.00 O ATOM 538 CB ASN A 35 -0.552 15.623 -6.349 1.00 0.00 C ATOM 539 CG ASN A 35 -1.902 16.280 -6.645 1.00 0.00 C ATOM 540 OD1 ASN A 35 -2.773 15.710 -7.281 1.00 0.00 O ATOM 541 ND2 ASN A 35 -2.026 17.508 -6.150 1.00 0.00 N ATOM 0 H ASN A 35 -0.216 15.621 -3.886 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.741 13.985 -5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.097 16.332 -5.836 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.059 15.359 -7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.890 18.031 -6.294 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.257 17.927 -5.626 1.00 0.00 H new ATOM 548 N ARG A 36 1.554 13.601 -5.534 1.00 0.00 N ATOM 549 CA ARG A 36 2.649 12.711 -5.879 1.00 0.00 C ATOM 550 C ARG A 36 2.441 11.339 -5.236 1.00 0.00 C ATOM 551 O ARG A 36 2.857 10.321 -5.787 1.00 0.00 O ATOM 552 CB ARG A 36 3.991 13.284 -5.419 1.00 0.00 C ATOM 553 CG ARG A 36 4.294 14.606 -6.126 1.00 0.00 C ATOM 554 CD ARG A 36 4.664 14.372 -7.592 1.00 0.00 C ATOM 555 NE ARG A 36 6.113 14.094 -7.711 1.00 0.00 N ATOM 556 CZ ARG A 36 6.647 12.865 -7.687 1.00 0.00 C ATOM 557 NH1 ARG A 36 5.855 11.793 -7.549 1.00 0.00 N ATOM 558 NH2 ARG A 36 7.973 12.708 -7.801 1.00 0.00 N ATOM 0 H ARG A 36 1.823 14.414 -4.980 1.00 0.00 H new ATOM 0 HA ARG A 36 2.663 12.609 -6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.973 13.440 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.786 12.567 -5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.425 15.262 -6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.113 15.115 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.091 13.535 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.404 15.248 -8.186 1.00 0.00 H new ATOM 0 HE ARG A 36 6.745 14.888 -7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.846 11.912 -7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.261 10.858 -7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.576 13.524 -7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.379 11.773 -7.783 1.00 0.00 H new ATOM 572 N PHE A 37 1.796 11.355 -4.078 1.00 0.00 N ATOM 573 CA PHE A 37 1.527 10.125 -3.354 1.00 0.00 C ATOM 574 C PHE A 37 0.107 10.124 -2.784 1.00 0.00 C ATOM 575 O PHE A 37 -0.111 10.544 -1.648 1.00 0.00 O ATOM 576 CB PHE A 37 2.528 10.059 -2.198 1.00 0.00 C ATOM 577 CG PHE A 37 3.839 10.800 -2.467 1.00 0.00 C ATOM 578 CD1 PHE A 37 3.950 12.119 -2.156 1.00 0.00 C ATOM 579 CD2 PHE A 37 4.893 10.139 -3.017 1.00 0.00 C ATOM 580 CE1 PHE A 37 5.167 12.807 -2.406 1.00 0.00 C ATOM 581 CE2 PHE A 37 6.110 10.827 -3.266 1.00 0.00 C ATOM 582 CZ PHE A 37 6.221 12.146 -2.956 1.00 0.00 C ATOM 0 H PHE A 37 1.452 12.201 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 37 1.622 9.270 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.064 10.476 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.751 9.014 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.113 12.643 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.804 9.091 -3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.256 13.855 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.947 10.302 -3.702 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.146 12.669 -3.146 1.00 0.00 H new ATOM 592 N PRO A 38 -0.847 9.634 -3.620 1.00 0.00 N ATOM 593 CA PRO A 38 -2.240 9.572 -3.211 1.00 0.00 C ATOM 594 C PRO A 38 -2.471 8.428 -2.222 1.00 0.00 C ATOM 595 O PRO A 38 -3.334 8.522 -1.350 1.00 0.00 O ATOM 596 CB PRO A 38 -3.022 9.406 -4.504 1.00 0.00 C ATOM 597 CG PRO A 38 -2.021 8.916 -5.537 1.00 0.00 C ATOM 598 CD PRO A 38 -0.626 9.128 -4.971 1.00 0.00 C ATOM 0 HA PRO A 38 -2.562 10.466 -2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.836 8.692 -4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.471 10.350 -4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.187 7.862 -5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.140 9.462 -6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.059 8.197 -4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.059 9.839 -5.572 1.00 0.00 H new ATOM 606 N TYR A 39 -1.685 7.375 -2.390 1.00 0.00 N ATOM 607 CA TYR A 39 -1.793 6.214 -1.522 1.00 0.00 C ATOM 608 C TYR A 39 -1.204 6.506 -0.141 1.00 0.00 C ATOM 609 O TYR A 39 -1.623 5.916 0.854 1.00 0.00 O ATOM 610 CB TYR A 39 -0.972 5.110 -2.191 1.00 0.00 C ATOM 611 CG TYR A 39 0.463 5.521 -2.530 1.00 0.00 C ATOM 612 CD1 TYR A 39 1.385 5.703 -1.520 1.00 0.00 C ATOM 613 CD2 TYR A 39 0.834 5.708 -3.846 1.00 0.00 C ATOM 614 CE1 TYR A 39 2.736 6.090 -1.839 1.00 0.00 C ATOM 615 CE2 TYR A 39 2.184 6.094 -4.165 1.00 0.00 C ATOM 616 CZ TYR A 39 3.068 6.266 -3.146 1.00 0.00 C ATOM 617 OH TYR A 39 4.343 6.630 -3.447 1.00 0.00 O ATOM 0 H TYR A 39 -0.971 7.301 -3.114 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.837 5.933 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.945 4.242 -1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.476 4.800 -3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.094 5.555 -0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.112 5.565 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.468 6.237 -1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.488 6.244 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 39 4.437 6.719 -4.418 1.00 0.00 H new ATOM 627 N TYR A 40 -0.242 7.417 -0.123 1.00 0.00 N ATOM 628 CA TYR A 40 0.409 7.794 1.120 1.00 0.00 C ATOM 629 C TYR A 40 -0.584 8.450 2.082 1.00 0.00 C ATOM 630 O TYR A 40 -0.672 8.066 3.247 1.00 0.00 O ATOM 631 CB TYR A 40 1.484 8.814 0.741 1.00 0.00 C ATOM 632 CG TYR A 40 2.840 8.565 1.404 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.898 8.049 2.683 1.00 0.00 C ATOM 634 CD2 TYR A 40 4.005 8.857 0.724 1.00 0.00 C ATOM 635 CE1 TYR A 40 4.175 7.815 3.307 1.00 0.00 C ATOM 636 CE2 TYR A 40 5.281 8.623 1.348 1.00 0.00 C ATOM 637 CZ TYR A 40 5.303 8.113 2.609 1.00 0.00 C ATOM 638 OH TYR A 40 6.509 7.892 3.198 1.00 0.00 O ATOM 0 H TYR A 40 0.102 7.905 -0.950 1.00 0.00 H new ATOM 0 HA TYR A 40 0.822 6.917 1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.613 8.805 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.136 9.811 1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.987 7.821 3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.959 9.261 -0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.235 7.412 4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.200 8.847 0.827 1.00 0.00 H new ATOM 0 HH TYR A 40 7.226 8.150 2.582 1.00 0.00 H new ATOM 648 N ARG A 41 -1.307 9.429 1.558 1.00 0.00 N ATOM 649 CA ARG A 41 -2.290 10.143 2.355 1.00 0.00 C ATOM 650 C ARG A 41 -3.401 9.191 2.804 1.00 0.00 C ATOM 651 O ARG A 41 -4.117 9.475 3.763 1.00 0.00 O ATOM 652 CB ARG A 41 -2.907 11.298 1.564 1.00 0.00 C ATOM 653 CG ARG A 41 -3.729 12.210 2.477 1.00 0.00 C ATOM 654 CD ARG A 41 -2.832 13.220 3.196 1.00 0.00 C ATOM 655 NE ARG A 41 -3.334 13.457 4.568 1.00 0.00 N ATOM 656 CZ ARG A 41 -4.501 14.053 4.848 1.00 0.00 C ATOM 657 NH1 ARG A 41 -5.293 14.476 3.853 1.00 0.00 N ATOM 658 NH2 ARG A 41 -4.876 14.226 6.122 1.00 0.00 N ATOM 0 H ARG A 41 -1.232 9.745 0.591 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.778 10.548 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.118 11.875 1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.542 10.902 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.479 12.739 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.265 11.608 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.808 12.847 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.809 14.158 2.641 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.756 13.147 5.349 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.007 14.344 2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.181 14.930 4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.273 13.904 6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.764 14.680 6.335 1.00 0.00 H new ATOM 672 N GLU A 42 -3.510 8.081 2.089 1.00 0.00 N ATOM 673 CA GLU A 42 -4.521 7.086 2.402 1.00 0.00 C ATOM 674 C GLU A 42 -4.051 6.194 3.553 1.00 0.00 C ATOM 675 O GLU A 42 -4.835 5.849 4.436 1.00 0.00 O ATOM 676 CB GLU A 42 -4.869 6.250 1.168 1.00 0.00 C ATOM 677 CG GLU A 42 -6.206 5.531 1.352 1.00 0.00 C ATOM 678 CD GLU A 42 -7.357 6.358 0.776 1.00 0.00 C ATOM 679 OE1 GLU A 42 -7.269 7.600 0.876 1.00 0.00 O ATOM 680 OE2 GLU A 42 -8.300 5.728 0.248 1.00 0.00 O ATOM 0 H GLU A 42 -2.915 7.849 1.294 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.427 7.605 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.916 6.894 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.081 5.519 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.171 4.559 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.381 5.346 2.412 1.00 0.00 H new ATOM 687 N LYS A 43 -2.773 5.847 3.507 1.00 0.00 N ATOM 688 CA LYS A 43 -2.189 5.003 4.535 1.00 0.00 C ATOM 689 C LYS A 43 -1.445 5.878 5.545 1.00 0.00 C ATOM 690 O LYS A 43 -0.716 5.368 6.395 1.00 0.00 O ATOM 691 CB LYS A 43 -1.318 3.915 3.904 1.00 0.00 C ATOM 692 CG LYS A 43 -2.179 2.803 3.302 1.00 0.00 C ATOM 693 CD LYS A 43 -1.371 1.515 3.133 1.00 0.00 C ATOM 694 CE LYS A 43 -2.215 0.288 3.486 1.00 0.00 C ATOM 695 NZ LYS A 43 -2.140 -0.721 2.406 1.00 0.00 N ATOM 0 H LYS A 43 -2.126 6.135 2.773 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.969 4.476 5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.689 4.352 3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.651 3.496 4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.039 2.615 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.568 3.122 2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.019 1.435 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.488 1.549 3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.863 -0.146 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.252 0.585 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.718 -1.547 2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.497 -0.309 1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.152 -1.017 2.276 1.00 0.00 H new ATOM 709 N PHE A 44 -1.655 7.180 5.420 1.00 0.00 N ATOM 710 CA PHE A 44 -1.013 8.131 6.312 1.00 0.00 C ATOM 711 C PHE A 44 -1.898 9.359 6.533 1.00 0.00 C ATOM 712 O PHE A 44 -1.593 10.445 6.042 1.00 0.00 O ATOM 713 CB PHE A 44 0.288 8.569 5.636 1.00 0.00 C ATOM 714 CG PHE A 44 1.400 8.951 6.616 1.00 0.00 C ATOM 715 CD1 PHE A 44 1.189 9.929 7.537 1.00 0.00 C ATOM 716 CD2 PHE A 44 2.600 8.312 6.565 1.00 0.00 C ATOM 717 CE1 PHE A 44 2.220 10.283 8.446 1.00 0.00 C ATOM 718 CE2 PHE A 44 3.632 8.666 7.474 1.00 0.00 C ATOM 719 CZ PHE A 44 3.420 9.644 8.396 1.00 0.00 C ATOM 0 H PHE A 44 -2.261 7.599 4.714 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.832 7.668 7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.643 7.761 4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.080 9.421 4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.237 10.437 7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.768 7.536 5.833 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.052 11.060 9.177 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.585 8.159 7.434 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.204 9.913 9.088 1.00 0.00 H new ATOM 729 N PRO A 45 -3.005 9.141 7.292 1.00 0.00 N ATOM 730 CA PRO A 45 -3.936 10.217 7.584 1.00 0.00 C ATOM 731 C PRO A 45 -3.362 11.169 8.635 1.00 0.00 C ATOM 732 O PRO A 45 -3.991 11.419 9.662 1.00 0.00 O ATOM 733 CB PRO A 45 -5.208 9.523 8.043 1.00 0.00 C ATOM 734 CG PRO A 45 -4.795 8.113 8.435 1.00 0.00 C ATOM 735 CD PRO A 45 -3.398 7.868 7.889 1.00 0.00 C ATOM 0 HA PRO A 45 -4.133 10.849 6.718 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.656 10.047 8.887 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.952 9.505 7.247 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.807 7.999 9.519 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.496 7.383 8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.710 7.573 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.397 7.067 7.150 1.00 0.00 H new ATOM 743 N ALA A 46 -2.173 11.675 8.342 1.00 0.00 N ATOM 744 CA ALA A 46 -1.506 12.594 9.248 1.00 0.00 C ATOM 745 C ALA A 46 -0.257 13.157 8.569 1.00 0.00 C ATOM 746 O ALA A 46 0.861 12.930 9.030 1.00 0.00 O ATOM 747 CB ALA A 46 -1.183 11.874 10.559 1.00 0.00 C ATOM 0 H ALA A 46 -1.654 11.466 7.489 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.157 13.435 9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.682 12.563 11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.107 11.520 11.017 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.529 11.025 10.357 1.00 0.00 H new ATOM 753 N TRP A 47 -0.488 13.882 7.484 1.00 0.00 N ATOM 754 CA TRP A 47 0.606 14.480 6.737 1.00 0.00 C ATOM 755 C TRP A 47 0.588 15.988 6.997 1.00 0.00 C ATOM 756 O TRP A 47 1.260 16.749 6.303 1.00 0.00 O ATOM 757 CB TRP A 47 0.510 14.129 5.251 1.00 0.00 C ATOM 758 CG TRP A 47 1.378 12.940 4.835 1.00 0.00 C ATOM 759 CD1 TRP A 47 1.192 11.643 5.118 1.00 0.00 C ATOM 760 CD2 TRP A 47 2.584 12.991 4.044 1.00 0.00 C ATOM 761 NE1 TRP A 47 2.186 10.858 4.570 1.00 0.00 N ATOM 762 CE2 TRP A 47 3.059 11.703 3.896 1.00 0.00 C ATOM 763 CE3 TRP A 47 3.252 14.088 3.472 1.00 0.00 C ATOM 764 CZ2 TRP A 47 4.221 11.393 3.179 1.00 0.00 C ATOM 765 CZ3 TRP A 47 4.412 13.761 2.759 1.00 0.00 C ATOM 766 CH2 TRP A 47 4.903 12.470 2.601 1.00 0.00 C ATOM 0 H TRP A 47 -1.416 14.069 7.104 1.00 0.00 H new ATOM 0 HA TRP A 47 1.564 14.081 7.070 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.529 13.910 5.006 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.799 15.000 4.663 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.368 11.260 5.702 1.00 0.00 H new ATOM 0 HE1 TRP A 47 2.265 9.844 4.646 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.898 15.103 3.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.572 10.377 3.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.964 14.568 2.300 1.00 0.00 H new ATOM 0 HH2 TRP A 47 5.807 12.299 2.035 1.00 0.00 H new ATOM 777 N GLN A 48 -0.188 16.373 8.000 1.00 0.00 N ATOM 778 CA GLN A 48 -0.302 17.776 8.361 1.00 0.00 C ATOM 779 C GLN A 48 0.918 18.216 9.172 1.00 0.00 C ATOM 780 O GLN A 48 1.764 18.958 8.675 1.00 0.00 O ATOM 781 CB GLN A 48 -1.597 18.041 9.131 1.00 0.00 C ATOM 782 CG GLN A 48 -1.812 19.540 9.344 1.00 0.00 C ATOM 783 CD GLN A 48 -1.447 19.949 10.773 1.00 0.00 C ATOM 784 OE1 GLN A 48 -2.251 19.886 11.689 1.00 0.00 O ATOM 785 NE2 GLN A 48 -0.193 20.370 10.912 1.00 0.00 N ATOM 0 H GLN A 48 -0.743 15.738 8.573 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.336 18.365 7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.442 17.623 8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.561 17.535 10.096 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.205 20.102 8.635 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.853 19.794 9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.428 20.398 10.103 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.147 20.665 11.827 1.00 0.00 H new ATOM 794 N ASN A 49 0.971 17.740 10.407 1.00 0.00 N ATOM 795 CA ASN A 49 2.074 18.075 11.292 1.00 0.00 C ATOM 796 C ASN A 49 3.311 17.273 10.885 1.00 0.00 C ATOM 797 O ASN A 49 4.439 17.728 11.070 1.00 0.00 O ATOM 798 CB ASN A 49 1.741 17.725 12.744 1.00 0.00 C ATOM 799 CG ASN A 49 0.233 17.549 12.934 1.00 0.00 C ATOM 800 OD1 ASN A 49 -0.568 18.392 12.565 1.00 0.00 O ATOM 801 ND2 ASN A 49 -0.108 16.409 13.528 1.00 0.00 N ATOM 0 H ASN A 49 0.268 17.125 10.816 1.00 0.00 H new ATOM 0 HA ASN A 49 2.257 19.147 11.212 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.256 16.807 13.028 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.105 18.512 13.404 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.091 16.197 13.700 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.613 15.746 13.812 1.00 0.00 H new ATOM 808 N SER A 50 3.058 16.094 10.337 1.00 0.00 N ATOM 809 CA SER A 50 4.138 15.224 9.901 1.00 0.00 C ATOM 810 C SER A 50 5.067 15.981 8.949 1.00 0.00 C ATOM 811 O SER A 50 6.270 16.069 9.190 1.00 0.00 O ATOM 812 CB SER A 50 3.592 13.967 9.222 1.00 0.00 C ATOM 813 OG SER A 50 4.613 12.999 8.992 1.00 0.00 O ATOM 0 H SER A 50 2.121 15.720 10.185 1.00 0.00 H new ATOM 0 HA SER A 50 4.703 14.913 10.780 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.811 13.529 9.843 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.130 14.239 8.273 1.00 0.00 H new ATOM 0 HG SER A 50 5.063 13.194 8.144 1.00 0.00 H new ATOM 819 N ILE A 51 4.474 16.507 7.888 1.00 0.00 N ATOM 820 CA ILE A 51 5.233 17.253 6.899 1.00 0.00 C ATOM 821 C ILE A 51 5.673 18.589 7.501 1.00 0.00 C ATOM 822 O ILE A 51 6.838 18.970 7.392 1.00 0.00 O ATOM 823 CB ILE A 51 4.431 17.396 5.604 1.00 0.00 C ATOM 824 CG1 ILE A 51 5.360 17.521 4.395 1.00 0.00 C ATOM 825 CG2 ILE A 51 3.448 18.565 5.695 1.00 0.00 C ATOM 826 CD1 ILE A 51 5.914 16.155 3.986 1.00 0.00 C ATOM 0 H ILE A 51 3.476 16.431 7.691 1.00 0.00 H new ATOM 0 HA ILE A 51 6.139 16.712 6.627 1.00 0.00 H new ATOM 0 HB ILE A 51 3.842 16.490 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.817 17.963 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.183 18.195 4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.890 18.645 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.755 18.394 6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.998 19.490 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.571 16.272 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.476 15.727 4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.090 15.491 3.726 1.00 0.00 H new ATOM 838 N ARG A 52 4.718 19.264 8.123 1.00 0.00 N ATOM 839 CA ARG A 52 4.992 20.550 8.743 1.00 0.00 C ATOM 840 C ARG A 52 6.189 20.438 9.689 1.00 0.00 C ATOM 841 O ARG A 52 6.997 21.360 9.785 1.00 0.00 O ATOM 842 CB ARG A 52 3.778 21.054 9.525 1.00 0.00 C ATOM 843 CG ARG A 52 4.183 21.526 10.923 1.00 0.00 C ATOM 844 CD ARG A 52 5.005 22.814 10.850 1.00 0.00 C ATOM 845 NE ARG A 52 5.906 22.906 12.020 1.00 0.00 N ATOM 846 CZ ARG A 52 6.321 24.060 12.561 1.00 0.00 C ATOM 847 NH1 ARG A 52 5.918 25.227 12.039 1.00 0.00 N ATOM 848 NH2 ARG A 52 7.139 24.047 13.622 1.00 0.00 N ATOM 0 H ARG A 52 3.753 18.945 8.211 1.00 0.00 H new ATOM 0 HA ARG A 52 5.218 21.261 7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.307 21.874 8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.038 20.258 9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.291 21.693 11.527 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.763 20.748 11.420 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.588 22.831 9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.341 23.678 10.823 1.00 0.00 H new ATOM 0 HE ARG A 52 6.232 22.036 12.442 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.296 25.236 11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.233 26.106 12.450 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.446 23.159 14.018 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.455 24.925 14.033 1.00 0.00 H new ATOM 862 N HIS A 53 6.264 19.301 10.365 1.00 0.00 N ATOM 863 CA HIS A 53 7.349 19.057 11.301 1.00 0.00 C ATOM 864 C HIS A 53 8.670 18.947 10.538 1.00 0.00 C ATOM 865 O HIS A 53 9.604 19.707 10.793 1.00 0.00 O ATOM 866 CB HIS A 53 7.057 17.826 12.162 1.00 0.00 C ATOM 867 CG HIS A 53 8.196 17.429 13.070 1.00 0.00 C ATOM 868 ND1 HIS A 53 9.224 16.596 12.663 1.00 0.00 N ATOM 869 CD2 HIS A 53 8.458 17.758 14.368 1.00 0.00 C ATOM 870 CE1 HIS A 53 10.061 16.438 13.678 1.00 0.00 C ATOM 871 NE2 HIS A 53 9.584 17.158 14.734 1.00 0.00 N ATOM 0 H HIS A 53 5.591 18.539 10.283 1.00 0.00 H new ATOM 0 HA HIS A 53 7.436 19.898 11.989 1.00 0.00 H new ATOM 0 HB2 HIS A 53 6.173 18.021 12.769 1.00 0.00 H new ATOM 0 HB3 HIS A 53 6.817 16.987 11.509 1.00 0.00 H new ATOM 0 HD1 HIS A 53 9.321 16.175 11.739 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.852 18.398 14.992 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.963 15.844 13.671 1.00 0.00 H new ATOM 879 N ASN A 54 8.707 17.996 9.616 1.00 0.00 N ATOM 880 CA ASN A 54 9.899 17.776 8.814 1.00 0.00 C ATOM 881 C ASN A 54 10.120 18.982 7.898 1.00 0.00 C ATOM 882 O ASN A 54 11.181 19.118 7.291 1.00 0.00 O ATOM 883 CB ASN A 54 9.749 16.534 7.934 1.00 0.00 C ATOM 884 CG ASN A 54 9.649 15.267 8.785 1.00 0.00 C ATOM 885 OD1 ASN A 54 8.604 14.648 8.903 1.00 0.00 O ATOM 886 ND2 ASN A 54 10.790 14.917 9.371 1.00 0.00 N ATOM 0 H ASN A 54 7.930 17.369 9.406 1.00 0.00 H new ATOM 0 HA ASN A 54 10.742 17.637 9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.859 16.630 7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.602 16.457 7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.826 14.086 9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.629 15.480 9.230 1.00 0.00 H new ATOM 893 N LEU A 55 9.101 19.825 7.827 1.00 0.00 N ATOM 894 CA LEU A 55 9.171 21.015 6.995 1.00 0.00 C ATOM 895 C LEU A 55 9.849 22.141 7.778 1.00 0.00 C ATOM 896 O LEU A 55 10.866 22.679 7.344 1.00 0.00 O ATOM 897 CB LEU A 55 7.783 21.382 6.467 1.00 0.00 C ATOM 898 CG LEU A 55 7.746 22.412 5.337 1.00 0.00 C ATOM 899 CD1 LEU A 55 8.373 21.848 4.060 1.00 0.00 C ATOM 900 CD2 LEU A 55 6.321 22.917 5.101 1.00 0.00 C ATOM 0 H LEU A 55 8.222 19.708 8.332 1.00 0.00 H new ATOM 0 HA LEU A 55 9.783 20.827 6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.296 20.471 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.189 21.762 7.298 1.00 0.00 H new ATOM 0 HG LEU A 55 8.346 23.271 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.334 22.600 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.411 21.578 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.821 20.963 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.323 23.648 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.678 22.079 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.945 23.384 6.011 1.00 0.00 H new ATOM 912 N SER A 56 9.258 22.463 8.919 1.00 0.00 N ATOM 913 CA SER A 56 9.792 23.515 9.767 1.00 0.00 C ATOM 914 C SER A 56 10.996 22.993 10.554 1.00 0.00 C ATOM 915 O SER A 56 12.056 23.618 10.561 1.00 0.00 O ATOM 916 CB SER A 56 8.723 24.048 10.724 1.00 0.00 C ATOM 917 OG SER A 56 9.046 23.782 12.086 1.00 0.00 O ATOM 0 H SER A 56 8.415 22.014 9.276 1.00 0.00 H new ATOM 0 HA SER A 56 10.113 24.338 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.612 25.123 10.581 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.762 23.593 10.484 1.00 0.00 H new ATOM 0 HG SER A 56 9.427 24.587 12.495 1.00 0.00 H new ATOM 923 N LEU A 57 10.792 21.853 11.197 1.00 0.00 N ATOM 924 CA LEU A 57 11.848 21.239 11.985 1.00 0.00 C ATOM 925 C LEU A 57 12.850 20.563 11.048 1.00 0.00 C ATOM 926 O LEU A 57 12.832 19.343 10.890 1.00 0.00 O ATOM 927 CB LEU A 57 11.254 20.297 13.035 1.00 0.00 C ATOM 928 CG LEU A 57 12.217 19.809 14.119 1.00 0.00 C ATOM 929 CD1 LEU A 57 11.541 19.805 15.491 1.00 0.00 C ATOM 930 CD2 LEU A 57 12.796 18.438 13.761 1.00 0.00 C ATOM 0 H LEU A 57 9.912 21.338 11.189 1.00 0.00 H new ATOM 0 HA LEU A 57 12.396 21.997 12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.420 20.805 13.520 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.843 19.427 12.523 1.00 0.00 H new ATOM 0 HG LEU A 57 13.052 20.507 14.174 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.247 19.454 16.244 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.218 20.816 15.740 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.676 19.142 15.468 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.477 18.114 14.548 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.986 17.715 13.662 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.338 18.507 12.818 1.00 0.00 H new ATOM 942 N ASN A 58 13.701 21.384 10.451 1.00 0.00 N ATOM 943 CA ASN A 58 14.709 20.881 9.534 1.00 0.00 C ATOM 944 C ASN A 58 15.230 22.033 8.673 1.00 0.00 C ATOM 945 O ASN A 58 16.439 22.237 8.568 1.00 0.00 O ATOM 946 CB ASN A 58 14.124 19.820 8.600 1.00 0.00 C ATOM 947 CG ASN A 58 14.832 18.476 8.784 1.00 0.00 C ATOM 948 OD1 ASN A 58 15.473 17.955 7.886 1.00 0.00 O ATOM 949 ND2 ASN A 58 14.681 17.946 9.994 1.00 0.00 N ATOM 0 H ASN A 58 13.713 22.395 10.585 1.00 0.00 H new ATOM 0 HA ASN A 58 15.511 20.439 10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 58 13.058 19.704 8.798 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.222 20.148 7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.115 17.050 10.216 1.00 0.00 H new ATOM 0 HD22 ASN A 58 14.131 18.435 10.700 1.00 0.00 H new ATOM 956 N ASP A 59 14.293 22.756 8.078 1.00 0.00 N ATOM 957 CA ASP A 59 14.642 23.883 7.229 1.00 0.00 C ATOM 958 C ASP A 59 14.954 25.098 8.105 1.00 0.00 C ATOM 959 O ASP A 59 15.943 25.793 7.879 1.00 0.00 O ATOM 960 CB ASP A 59 13.484 24.253 6.301 1.00 0.00 C ATOM 961 CG ASP A 59 13.286 23.315 5.109 1.00 0.00 C ATOM 962 OD1 ASP A 59 13.865 22.208 5.155 1.00 0.00 O ATOM 963 OD2 ASP A 59 12.560 23.726 4.178 1.00 0.00 O ATOM 0 H ASP A 59 13.292 22.583 8.167 1.00 0.00 H new ATOM 0 HA ASP A 59 15.507 23.599 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.563 24.274 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.647 25.263 5.926 1.00 0.00 H new ATOM 968 N CYS A 60 14.091 25.317 9.086 1.00 0.00 N ATOM 969 CA CYS A 60 14.261 26.436 9.997 1.00 0.00 C ATOM 970 C CYS A 60 14.014 27.730 9.219 1.00 0.00 C ATOM 971 O CYS A 60 14.925 28.539 9.046 1.00 0.00 O ATOM 972 CB CYS A 60 15.641 26.423 10.658 1.00 0.00 C ATOM 973 SG CYS A 60 15.561 25.534 12.255 1.00 0.00 S ATOM 0 H CYS A 60 13.272 24.738 9.270 1.00 0.00 H new ATOM 0 HA CYS A 60 13.540 26.358 10.811 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.364 25.941 10.000 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.987 27.444 10.818 1.00 0.00 H new ATOM 0 HG CYS A 60 16.738 25.527 12.807 1.00 0.00 H new ATOM 979 N PHE A 61 12.777 27.886 8.771 1.00 0.00 N ATOM 980 CA PHE A 61 12.398 29.068 8.015 1.00 0.00 C ATOM 981 C PHE A 61 11.301 29.853 8.738 1.00 0.00 C ATOM 982 O PHE A 61 11.107 29.690 9.942 1.00 0.00 O ATOM 983 CB PHE A 61 11.858 28.584 6.668 1.00 0.00 C ATOM 984 CG PHE A 61 11.028 27.302 6.755 1.00 0.00 C ATOM 985 CD1 PHE A 61 10.009 27.211 7.651 1.00 0.00 C ATOM 986 CD2 PHE A 61 11.308 26.254 5.935 1.00 0.00 C ATOM 987 CE1 PHE A 61 9.238 26.021 7.732 1.00 0.00 C ATOM 988 CE2 PHE A 61 10.537 25.064 6.015 1.00 0.00 C ATOM 989 CZ PHE A 61 9.518 24.973 6.912 1.00 0.00 C ATOM 0 H PHE A 61 12.024 27.214 8.917 1.00 0.00 H new ATOM 0 HA PHE A 61 13.260 29.725 7.896 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.246 29.372 6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.696 28.417 5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.786 28.044 8.301 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.117 26.327 5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.430 25.948 8.445 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.759 24.231 5.364 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.931 24.068 6.973 1.00 0.00 H new ATOM 999 N VAL A 62 10.612 30.687 7.973 1.00 0.00 N ATOM 1000 CA VAL A 62 9.540 31.498 8.526 1.00 0.00 C ATOM 1001 C VAL A 62 8.229 31.151 7.818 1.00 0.00 C ATOM 1002 O VAL A 62 8.228 30.805 6.638 1.00 0.00 O ATOM 1003 CB VAL A 62 9.900 32.981 8.424 1.00 0.00 C ATOM 1004 CG1 VAL A 62 8.741 33.860 8.900 1.00 0.00 C ATOM 1005 CG2 VAL A 62 11.179 33.290 9.206 1.00 0.00 C ATOM 0 H VAL A 62 10.775 30.819 6.975 1.00 0.00 H new ATOM 0 HA VAL A 62 9.405 31.283 9.586 1.00 0.00 H new ATOM 0 HB VAL A 62 10.085 33.209 7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.023 34.910 8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.863 33.670 8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.511 33.627 9.940 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.413 34.351 9.117 1.00 0.00 H new ATOM 0 HG22 VAL A 62 11.033 33.037 10.256 1.00 0.00 H new ATOM 0 HG23 VAL A 62 12.003 32.702 8.802 1.00 0.00 H new ATOM 1015 N LYS A 63 7.142 31.256 8.570 1.00 0.00 N ATOM 1016 CA LYS A 63 5.827 30.958 8.030 1.00 0.00 C ATOM 1017 C LYS A 63 4.817 31.971 8.571 1.00 0.00 C ATOM 1018 O LYS A 63 5.095 32.672 9.543 1.00 0.00 O ATOM 1019 CB LYS A 63 5.449 29.502 8.311 1.00 0.00 C ATOM 1020 CG LYS A 63 5.477 29.209 9.813 1.00 0.00 C ATOM 1021 CD LYS A 63 6.451 28.074 10.132 1.00 0.00 C ATOM 1022 CE LYS A 63 7.892 28.586 10.186 1.00 0.00 C ATOM 1023 NZ LYS A 63 8.076 29.495 11.340 1.00 0.00 N ATOM 0 H LYS A 63 7.146 31.543 9.549 1.00 0.00 H new ATOM 0 HA LYS A 63 5.829 31.058 6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.454 29.298 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.140 28.837 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.769 30.107 10.357 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.477 28.941 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.186 27.621 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.367 27.294 9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.580 27.745 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.133 29.110 9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.033 29.373 11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.952 30.480 11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.373 29.272 12.073 1.00 0.00 H new ATOM 1037 N ILE A 64 3.665 32.017 7.918 1.00 0.00 N ATOM 1038 CA ILE A 64 2.611 32.933 8.322 1.00 0.00 C ATOM 1039 C ILE A 64 1.375 32.132 8.733 1.00 0.00 C ATOM 1040 O ILE A 64 0.919 31.262 7.992 1.00 0.00 O ATOM 1041 CB ILE A 64 2.341 33.958 7.219 1.00 0.00 C ATOM 1042 CG1 ILE A 64 1.560 33.328 6.064 1.00 0.00 C ATOM 1043 CG2 ILE A 64 3.642 34.608 6.744 1.00 0.00 C ATOM 1044 CD1 ILE A 64 0.076 33.691 6.143 1.00 0.00 C ATOM 0 H ILE A 64 3.438 31.435 7.112 1.00 0.00 H new ATOM 0 HA ILE A 64 2.921 33.510 9.193 1.00 0.00 H new ATOM 0 HB ILE A 64 1.718 34.750 7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.971 33.669 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.675 32.244 6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.422 35.332 5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.123 35.114 7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.310 33.841 6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.456 33.231 5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.338 33.328 7.084 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.037 34.774 6.091 1.00 0.00 H new ATOM 1056 N PRO A 65 0.853 32.461 9.945 1.00 0.00 N ATOM 1057 CA PRO A 65 -0.322 31.782 10.464 1.00 0.00 C ATOM 1058 C PRO A 65 -1.590 32.257 9.751 1.00 0.00 C ATOM 1059 O PRO A 65 -1.516 33.022 8.790 1.00 0.00 O ATOM 1060 CB PRO A 65 -0.328 32.089 11.953 1.00 0.00 C ATOM 1061 CG PRO A 65 0.572 33.301 12.133 1.00 0.00 C ATOM 1062 CD PRO A 65 1.366 33.486 10.850 1.00 0.00 C ATOM 0 HA PRO A 65 -0.296 30.706 10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.338 32.297 12.305 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.041 31.240 12.528 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.022 34.190 12.346 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.243 33.156 12.980 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.225 34.485 10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.435 33.361 11.024 1.00 0.00 H new ATOM 1070 N ARG A 66 -2.723 31.784 10.248 1.00 0.00 N ATOM 1071 CA ARG A 66 -4.004 32.151 9.670 1.00 0.00 C ATOM 1072 C ARG A 66 -4.082 33.666 9.470 1.00 0.00 C ATOM 1073 O ARG A 66 -4.485 34.395 10.375 1.00 0.00 O ATOM 1074 CB ARG A 66 -5.161 31.702 10.566 1.00 0.00 C ATOM 1075 CG ARG A 66 -6.464 32.397 10.168 1.00 0.00 C ATOM 1076 CD ARG A 66 -7.679 31.603 10.652 1.00 0.00 C ATOM 1077 NE ARG A 66 -8.671 31.478 9.560 1.00 0.00 N ATOM 1078 CZ ARG A 66 -9.994 31.393 9.753 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -10.493 31.419 10.996 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -10.818 31.282 8.702 1.00 0.00 N ATOM 0 H ARG A 66 -2.780 31.150 11.045 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.089 31.649 8.706 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.284 30.621 10.493 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.928 31.927 11.607 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.489 33.401 10.592 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.505 32.507 9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.367 30.613 10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.131 32.101 11.510 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.325 31.455 8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.866 31.504 11.796 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.500 31.354 11.143 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.438 31.262 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.825 31.217 8.848 1.00 0.00 H new ATOM 1094 N GLU A 67 -3.690 34.094 8.279 1.00 0.00 N ATOM 1095 CA GLU A 67 -3.711 35.508 7.948 1.00 0.00 C ATOM 1096 C GLU A 67 -5.079 35.903 7.389 1.00 0.00 C ATOM 1097 O GLU A 67 -5.875 35.041 7.019 1.00 0.00 O ATOM 1098 CB GLU A 67 -2.594 35.857 6.962 1.00 0.00 C ATOM 1099 CG GLU A 67 -1.489 36.663 7.647 1.00 0.00 C ATOM 1100 CD GLU A 67 -0.867 37.672 6.679 1.00 0.00 C ATOM 1101 OE1 GLU A 67 -0.059 37.226 5.837 1.00 0.00 O ATOM 1102 OE2 GLU A 67 -1.213 38.867 6.805 1.00 0.00 O ATOM 0 H GLU A 67 -3.356 33.486 7.531 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.536 36.077 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.175 34.942 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.004 36.430 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.898 37.187 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.718 35.988 8.019 1.00 0.00 H new ATOM 1109 N PRO A 68 -5.318 37.241 7.345 1.00 0.00 N ATOM 1110 CA PRO A 68 -6.576 37.761 6.837 1.00 0.00 C ATOM 1111 C PRO A 68 -6.634 37.665 5.311 1.00 0.00 C ATOM 1112 O PRO A 68 -6.800 38.674 4.628 1.00 0.00 O ATOM 1113 CB PRO A 68 -6.644 39.192 7.345 1.00 0.00 C ATOM 1114 CG PRO A 68 -5.221 39.569 7.722 1.00 0.00 C ATOM 1115 CD PRO A 68 -4.399 38.291 7.774 1.00 0.00 C ATOM 0 HA PRO A 68 -7.437 37.188 7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.035 39.860 6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.309 39.270 8.205 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.803 40.262 6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.203 40.074 8.688 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.532 38.351 7.116 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.024 38.102 8.780 1.00 0.00 H new ATOM 1123 N GLY A 69 -6.493 36.442 4.822 1.00 0.00 N ATOM 1124 CA GLY A 69 -6.527 36.200 3.389 1.00 0.00 C ATOM 1125 C GLY A 69 -6.226 34.734 3.073 1.00 0.00 C ATOM 1126 O GLY A 69 -5.567 34.432 2.079 1.00 0.00 O ATOM 0 H GLY A 69 -6.355 35.608 5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.508 36.467 2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.798 36.840 2.891 1.00 0.00 H new ATOM 1130 N ASN A 70 -6.723 33.861 3.937 1.00 0.00 N ATOM 1131 CA ASN A 70 -6.515 32.434 3.762 1.00 0.00 C ATOM 1132 C ASN A 70 -7.869 31.722 3.762 1.00 0.00 C ATOM 1133 O ASN A 70 -8.269 31.141 4.770 1.00 0.00 O ATOM 1134 CB ASN A 70 -5.677 31.855 4.904 1.00 0.00 C ATOM 1135 CG ASN A 70 -4.508 32.780 5.250 1.00 0.00 C ATOM 1136 OD1 ASN A 70 -4.629 33.994 5.271 1.00 0.00 O ATOM 1137 ND2 ASN A 70 -3.373 32.141 5.518 1.00 0.00 N ATOM 0 H ASN A 70 -7.269 34.115 4.760 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.991 32.283 2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.304 31.711 5.784 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.297 30.874 4.620 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.535 32.670 5.759 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.341 31.122 5.482 1.00 0.00 H new ATOM 1144 N PRO A 71 -8.555 31.792 2.590 1.00 0.00 N ATOM 1145 CA PRO A 71 -9.856 31.161 2.445 1.00 0.00 C ATOM 1146 C PRO A 71 -9.718 29.643 2.313 1.00 0.00 C ATOM 1147 O PRO A 71 -9.528 29.127 1.213 1.00 0.00 O ATOM 1148 CB PRO A 71 -10.473 31.810 1.217 1.00 0.00 C ATOM 1149 CG PRO A 71 -9.319 32.438 0.453 1.00 0.00 C ATOM 1150 CD PRO A 71 -8.112 32.471 1.376 1.00 0.00 C ATOM 0 HA PRO A 71 -10.493 31.305 3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -10.991 31.072 0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.209 32.562 1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.097 31.861 -0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.579 33.446 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.257 31.964 0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.802 33.495 1.586 1.00 0.00 H new ATOM 1158 N GLY A 72 -9.818 28.971 3.451 1.00 0.00 N ATOM 1159 CA GLY A 72 -9.706 27.522 3.476 1.00 0.00 C ATOM 1160 C GLY A 72 -8.271 27.088 3.781 1.00 0.00 C ATOM 1161 O GLY A 72 -7.968 26.672 4.898 1.00 0.00 O ATOM 0 H GLY A 72 -9.975 29.403 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.381 27.115 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.017 27.113 2.515 1.00 0.00 H new ATOM 1165 N LYS A 73 -7.425 27.201 2.767 1.00 0.00 N ATOM 1166 CA LYS A 73 -6.029 26.825 2.912 1.00 0.00 C ATOM 1167 C LYS A 73 -5.160 27.786 2.099 1.00 0.00 C ATOM 1168 O LYS A 73 -4.368 27.356 1.262 1.00 0.00 O ATOM 1169 CB LYS A 73 -5.829 25.354 2.544 1.00 0.00 C ATOM 1170 CG LYS A 73 -6.288 25.080 1.110 1.00 0.00 C ATOM 1171 CD LYS A 73 -7.774 24.721 1.069 1.00 0.00 C ATOM 1172 CE LYS A 73 -8.203 24.321 -0.344 1.00 0.00 C ATOM 1173 NZ LYS A 73 -9.679 24.305 -0.453 1.00 0.00 N ATOM 0 H LYS A 73 -7.680 27.548 1.842 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.717 26.914 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.777 25.089 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.388 24.723 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.105 25.959 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.702 24.265 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.973 23.901 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.367 25.572 1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.787 25.021 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.804 23.336 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.953 24.032 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.070 23.620 0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.053 25.252 -0.242 1.00 0.00 H new ATOM 1187 N GLY A 74 -5.337 29.070 2.374 1.00 0.00 N ATOM 1188 CA GLY A 74 -4.578 30.096 1.678 1.00 0.00 C ATOM 1189 C GLY A 74 -3.503 30.695 2.588 1.00 0.00 C ATOM 1190 O GLY A 74 -3.605 31.849 2.999 1.00 0.00 O ATOM 0 H GLY A 74 -5.995 29.423 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.111 29.669 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.251 30.883 1.337 1.00 0.00 H new ATOM 1194 N ASN A 75 -2.497 29.882 2.876 1.00 0.00 N ATOM 1195 CA ASN A 75 -1.405 30.317 3.729 1.00 0.00 C ATOM 1196 C ASN A 75 -0.139 30.481 2.886 1.00 0.00 C ATOM 1197 O ASN A 75 -0.082 30.017 1.748 1.00 0.00 O ATOM 1198 CB ASN A 75 -1.115 29.285 4.821 1.00 0.00 C ATOM 1199 CG ASN A 75 -0.775 27.923 4.213 1.00 0.00 C ATOM 1200 OD1 ASN A 75 -1.040 27.649 3.054 1.00 0.00 O ATOM 1201 ND2 ASN A 75 -0.176 27.088 5.057 1.00 0.00 N ATOM 0 H ASN A 75 -2.416 28.925 2.534 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.694 31.261 4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.286 29.628 5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.982 29.189 5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.091 26.154 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.017 27.382 6.015 1.00 0.00 H new ATOM 1208 N TYR A 76 0.846 31.143 3.476 1.00 0.00 N ATOM 1209 CA TYR A 76 2.107 31.374 2.793 1.00 0.00 C ATOM 1210 C TYR A 76 3.292 31.060 3.709 1.00 0.00 C ATOM 1211 O TYR A 76 3.260 31.370 4.899 1.00 0.00 O ATOM 1212 CB TYR A 76 2.130 32.863 2.442 1.00 0.00 C ATOM 1213 CG TYR A 76 0.787 33.407 1.950 1.00 0.00 C ATOM 1214 CD1 TYR A 76 0.389 33.186 0.647 1.00 0.00 C ATOM 1215 CD2 TYR A 76 -0.026 34.118 2.809 1.00 0.00 C ATOM 1216 CE1 TYR A 76 -0.875 33.698 0.184 1.00 0.00 C ATOM 1217 CE2 TYR A 76 -1.290 34.630 2.346 1.00 0.00 C ATOM 1218 CZ TYR A 76 -1.652 34.394 1.056 1.00 0.00 C ATOM 1219 OH TYR A 76 -2.846 34.878 0.619 1.00 0.00 O ATOM 0 H TYR A 76 0.796 31.527 4.420 1.00 0.00 H new ATOM 0 HA TYR A 76 2.190 30.736 1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.439 33.428 3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.883 33.033 1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.025 32.629 -0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.286 34.291 3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.198 33.533 -0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.936 35.188 3.008 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.553 34.622 1.248 1.00 0.00 H new ATOM 1229 N TRP A 77 4.309 30.450 3.119 1.00 0.00 N ATOM 1230 CA TRP A 77 5.502 30.091 3.867 1.00 0.00 C ATOM 1231 C TRP A 77 6.710 30.695 3.149 1.00 0.00 C ATOM 1232 O TRP A 77 6.786 30.665 1.921 1.00 0.00 O ATOM 1233 CB TRP A 77 5.606 28.574 4.039 1.00 0.00 C ATOM 1234 CG TRP A 77 4.729 28.014 5.160 1.00 0.00 C ATOM 1235 CD1 TRP A 77 3.472 28.356 5.474 1.00 0.00 C ATOM 1236 CD2 TRP A 77 5.097 26.991 6.110 1.00 0.00 C ATOM 1237 NE1 TRP A 77 3.005 27.631 6.552 1.00 0.00 N ATOM 1238 CE2 TRP A 77 4.025 26.775 6.951 1.00 0.00 C ATOM 1239 CE3 TRP A 77 6.297 26.272 6.254 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 4.044 25.842 7.994 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 6.301 25.343 7.301 1.00 0.00 C ATOM 1242 CH2 TRP A 77 5.229 25.114 8.156 1.00 0.00 C ATOM 0 H TRP A 77 4.332 30.195 2.132 1.00 0.00 H new ATOM 0 HA TRP A 77 5.459 30.496 4.878 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.330 28.092 3.101 1.00 0.00 H new ATOM 0 HB3 TRP A 77 6.645 28.312 4.239 1.00 0.00 H new ATOM 0 HD1 TRP A 77 2.897 29.105 4.950 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.081 27.709 6.978 1.00 0.00 H new ATOM 0 HE3 TRP A 77 7.149 26.425 5.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.191 25.692 8.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 7.199 24.764 7.455 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.310 24.378 8.942 1.00 0.00 H new ATOM 1253 N THR A 78 7.625 31.230 3.944 1.00 0.00 N ATOM 1254 CA THR A 78 8.826 31.840 3.399 1.00 0.00 C ATOM 1255 C THR A 78 10.073 31.131 3.931 1.00 0.00 C ATOM 1256 O THR A 78 10.055 30.574 5.028 1.00 0.00 O ATOM 1257 CB THR A 78 8.789 33.334 3.730 1.00 0.00 C ATOM 1258 OG1 THR A 78 7.490 33.749 3.317 1.00 0.00 O ATOM 1259 CG2 THR A 78 9.739 34.152 2.853 1.00 0.00 C ATOM 0 H THR A 78 7.559 31.254 4.962 1.00 0.00 H new ATOM 0 HA THR A 78 8.867 31.733 2.315 1.00 0.00 H new ATOM 0 HB THR A 78 9.048 33.480 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.380 34.706 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.674 35.204 3.129 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.761 33.802 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.460 34.034 1.806 1.00 0.00 H new ATOM 1267 N LEU A 79 11.126 31.173 3.128 1.00 0.00 N ATOM 1268 CA LEU A 79 12.379 30.542 3.504 1.00 0.00 C ATOM 1269 C LEU A 79 13.467 31.610 3.629 1.00 0.00 C ATOM 1270 O LEU A 79 13.402 32.647 2.970 1.00 0.00 O ATOM 1271 CB LEU A 79 12.729 29.420 2.524 1.00 0.00 C ATOM 1272 CG LEU A 79 13.488 28.228 3.112 1.00 0.00 C ATOM 1273 CD1 LEU A 79 12.839 26.906 2.695 1.00 0.00 C ATOM 1274 CD2 LEU A 79 14.970 28.283 2.736 1.00 0.00 C ATOM 0 H LEU A 79 11.137 31.634 2.218 1.00 0.00 H new ATOM 0 HA LEU A 79 12.287 30.065 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.805 29.053 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.326 29.843 1.716 1.00 0.00 H new ATOM 0 HG LEU A 79 13.429 28.287 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.397 26.075 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.810 26.877 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.847 26.824 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.487 27.425 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.071 28.261 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.410 29.202 3.123 1.00 0.00 H new ATOM 1286 N ASP A 80 14.442 31.321 4.479 1.00 0.00 N ATOM 1287 CA ASP A 80 15.542 32.244 4.698 1.00 0.00 C ATOM 1288 C ASP A 80 16.621 32.006 3.640 1.00 0.00 C ATOM 1289 O ASP A 80 16.604 30.988 2.949 1.00 0.00 O ATOM 1290 CB ASP A 80 16.174 32.030 6.075 1.00 0.00 C ATOM 1291 CG ASP A 80 16.038 33.210 7.040 1.00 0.00 C ATOM 1292 OD1 ASP A 80 15.239 34.116 6.718 1.00 0.00 O ATOM 1293 OD2 ASP A 80 16.735 33.179 8.076 1.00 0.00 O ATOM 0 H ASP A 80 14.493 30.460 5.024 1.00 0.00 H new ATOM 0 HA ASP A 80 15.148 33.259 4.635 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.721 31.151 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.233 31.809 5.942 1.00 0.00 H new ATOM 1298 N PRO A 81 17.558 32.987 3.544 1.00 0.00 N ATOM 1299 CA PRO A 81 18.643 32.893 2.582 1.00 0.00 C ATOM 1300 C PRO A 81 19.697 31.883 3.040 1.00 0.00 C ATOM 1301 O PRO A 81 20.783 32.266 3.472 1.00 0.00 O ATOM 1302 CB PRO A 81 19.187 34.307 2.464 1.00 0.00 C ATOM 1303 CG PRO A 81 18.700 35.046 3.700 1.00 0.00 C ATOM 1304 CD PRO A 81 17.610 34.206 4.345 1.00 0.00 C ATOM 0 HA PRO A 81 18.313 32.525 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 81 20.276 34.304 2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.828 34.789 1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.522 35.206 4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.315 36.029 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 81 17.844 33.986 5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 81 16.652 34.726 4.337 1.00 0.00 H new ATOM 1312 N GLN A 82 19.339 30.612 2.929 1.00 0.00 N ATOM 1313 CA GLN A 82 20.240 29.544 3.327 1.00 0.00 C ATOM 1314 C GLN A 82 19.633 28.182 2.984 1.00 0.00 C ATOM 1315 O GLN A 82 19.792 27.221 3.736 1.00 0.00 O ATOM 1316 CB GLN A 82 20.576 29.636 4.816 1.00 0.00 C ATOM 1317 CG GLN A 82 21.595 28.566 5.216 1.00 0.00 C ATOM 1318 CD GLN A 82 22.418 29.017 6.425 1.00 0.00 C ATOM 1319 OE1 GLN A 82 21.893 29.361 7.471 1.00 0.00 O ATOM 1320 NE2 GLN A 82 23.732 28.996 6.223 1.00 0.00 N ATOM 0 H GLN A 82 18.438 30.298 2.569 1.00 0.00 H new ATOM 0 HA GLN A 82 21.171 29.655 2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 82 20.974 30.625 5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 82 19.667 29.516 5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 82 21.078 27.636 5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 82 22.259 28.359 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 82 24.105 28.697 5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 82 24.367 29.279 6.969 1.00 0.00 H new ATOM 1329 N SER A 83 18.950 28.142 1.850 1.00 0.00 N ATOM 1330 CA SER A 83 18.318 26.914 1.399 1.00 0.00 C ATOM 1331 C SER A 83 19.362 25.989 0.771 1.00 0.00 C ATOM 1332 O SER A 83 19.467 24.821 1.145 1.00 0.00 O ATOM 1333 CB SER A 83 17.197 27.206 0.399 1.00 0.00 C ATOM 1334 OG SER A 83 16.603 26.011 -0.101 1.00 0.00 O ATOM 0 H SER A 83 18.820 28.941 1.229 1.00 0.00 H new ATOM 0 HA SER A 83 17.876 26.419 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.433 27.817 0.879 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.595 27.788 -0.432 1.00 0.00 H new ATOM 0 HG SER A 83 16.856 25.256 0.470 1.00 0.00 H new ATOM 1340 N GLU A 84 20.107 26.544 -0.173 1.00 0.00 N ATOM 1341 CA GLU A 84 21.139 25.783 -0.857 1.00 0.00 C ATOM 1342 C GLU A 84 22.263 25.420 0.116 1.00 0.00 C ATOM 1343 O GLU A 84 22.643 24.255 0.223 1.00 0.00 O ATOM 1344 CB GLU A 84 21.683 26.555 -2.060 1.00 0.00 C ATOM 1345 CG GLU A 84 20.845 26.283 -3.311 1.00 0.00 C ATOM 1346 CD GLU A 84 20.565 27.579 -4.075 1.00 0.00 C ATOM 1347 OE1 GLU A 84 19.989 28.494 -3.448 1.00 0.00 O ATOM 1348 OE2 GLU A 84 20.933 27.624 -5.269 1.00 0.00 O ATOM 0 H GLU A 84 20.017 27.512 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 84 20.696 24.860 -1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.681 27.623 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 84 22.719 26.268 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.369 25.581 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.903 25.813 -3.027 1.00 0.00 H new ATOM 1355 N ASP A 85 22.762 26.439 0.800 1.00 0.00 N ATOM 1356 CA ASP A 85 23.835 26.241 1.760 1.00 0.00 C ATOM 1357 C ASP A 85 23.413 25.180 2.778 1.00 0.00 C ATOM 1358 O ASP A 85 24.210 24.320 3.151 1.00 0.00 O ATOM 1359 CB ASP A 85 24.138 27.533 2.521 1.00 0.00 C ATOM 1360 CG ASP A 85 25.591 28.004 2.444 1.00 0.00 C ATOM 1361 OD1 ASP A 85 25.913 28.691 1.451 1.00 0.00 O ATOM 1362 OD2 ASP A 85 26.348 27.667 3.380 1.00 0.00 O ATOM 0 H ASP A 85 22.443 27.404 0.709 1.00 0.00 H new ATOM 0 HA ASP A 85 24.724 25.928 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 85 23.495 28.324 2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.873 27.390 3.569 1.00 0.00 H new ATOM 1367 N MET A 86 22.161 25.275 3.200 1.00 0.00 N ATOM 1368 CA MET A 86 21.624 24.334 4.168 1.00 0.00 C ATOM 1369 C MET A 86 21.554 22.923 3.580 1.00 0.00 C ATOM 1370 O MET A 86 22.123 21.986 4.137 1.00 0.00 O ATOM 1371 CB MET A 86 20.223 24.781 4.592 1.00 0.00 C ATOM 1372 CG MET A 86 19.509 23.677 5.375 1.00 0.00 C ATOM 1373 SD MET A 86 17.847 24.191 5.777 1.00 0.00 S ATOM 1374 CE MET A 86 17.042 23.886 4.213 1.00 0.00 C ATOM 0 H MET A 86 21.503 25.989 2.889 1.00 0.00 H new ATOM 0 HA MET A 86 22.286 24.314 5.034 1.00 0.00 H new ATOM 0 HB2 MET A 86 20.294 25.679 5.205 1.00 0.00 H new ATOM 0 HB3 MET A 86 19.638 25.043 3.710 1.00 0.00 H new ATOM 0 HG2 MET A 86 19.483 22.761 4.786 1.00 0.00 H new ATOM 0 HG3 MET A 86 20.060 23.453 6.288 1.00 0.00 H new ATOM 0 HE1 MET A 86 16.506 24.782 3.899 1.00 0.00 H new ATOM 0 HE2 MET A 86 17.790 23.629 3.463 1.00 0.00 H new ATOM 0 HE3 MET A 86 16.338 23.061 4.321 1.00 0.00 H new ATOM 1384 N PHE A 87 20.850 22.816 2.463 1.00 0.00 N ATOM 1385 CA PHE A 87 20.698 21.535 1.794 1.00 0.00 C ATOM 1386 C PHE A 87 22.056 20.978 1.361 1.00 0.00 C ATOM 1387 O PHE A 87 22.254 19.764 1.336 1.00 0.00 O ATOM 1388 CB PHE A 87 19.841 21.779 0.550 1.00 0.00 C ATOM 1389 CG PHE A 87 18.336 21.798 0.826 1.00 0.00 C ATOM 1390 CD1 PHE A 87 17.787 20.880 1.667 1.00 0.00 C ATOM 1391 CD2 PHE A 87 17.547 22.732 0.230 1.00 0.00 C ATOM 1392 CE1 PHE A 87 16.391 20.897 1.923 1.00 0.00 C ATOM 1393 CE2 PHE A 87 16.150 22.749 0.486 1.00 0.00 C ATOM 1394 CZ PHE A 87 15.602 21.831 1.327 1.00 0.00 C ATOM 0 H PHE A 87 20.378 23.595 2.004 1.00 0.00 H new ATOM 0 HA PHE A 87 20.238 20.814 2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 87 20.130 22.730 0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 87 20.056 21.003 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 87 18.414 20.138 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 87 17.983 23.461 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 87 15.955 20.169 2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.523 23.490 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 87 14.540 21.844 1.522 1.00 0.00 H new