USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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 2 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Set 1.2: A 7 THR OG1 : rot -150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 14:sc= 0.608 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00415 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.409 X(o=-0.41,f=0) USER MOD Single : A 17 SER OG : rot -170:sc= -0.0208 USER MOD Single : A 18 ASN : amide:sc= -0.927 K(o=-0.93,f=-7!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 172:sc= -0.621 (180deg=-0.661) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 113:sc= -0.322 USER MOD Single : A 29 SER OG : rot 180:sc= -0.031 USER MOD Single : A 32 MET CE :methyl -155:sc= -0.0186 (180deg=-0.863) USER MOD Single : A 34 ASN : amide:sc= 0.444 X(o=0.44,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0.196) USER MOD Single : A 45 GLN : amide:sc= 0.453 K(o=0.45,f=-4.2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 167:sc= -0.795 (180deg=-1.62) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.024 (180deg=-0.218) USER MOD Single : A 67 CYS SG : rot -8:sc= -0.863 USER MOD Single : A 72 THR OG1 : rot 150:sc= -0.0609 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 120:sc= -0.0316 USER MOD Single : A 79 GLN : amide:sc= -0.0926 X(o=-0.093,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= -0.169 K(o=-0.17,f=-1.4) USER MOD Single : A 85 SER OG : rot -174:sc= 0.00154 USER MOD Single : A 89 GLN : amide:sc= -0.115 K(o=-0.11,f=-1) USER MOD Single : A 91 SER OG : rot 54:sc= 0.437 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.989 17.120 14.914 1.00 0.00 N ATOM 2 CA GLY A 1 -1.306 18.165 13.933 1.00 0.00 C ATOM 3 C GLY A 1 -2.018 17.571 12.728 1.00 0.00 C ATOM 4 O GLY A 1 -1.434 16.777 11.990 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.503 17.545 15.729 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.868 16.665 15.233 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.371 16.408 14.475 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.935 18.926 14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.389 18.660 13.613 1.00 0.00 H new ATOM 8 N HIS A 2 -3.271 17.961 12.504 1.00 0.00 N ATOM 9 CA HIS A 2 -4.066 17.681 11.319 1.00 0.00 C ATOM 10 C HIS A 2 -4.997 18.890 11.235 1.00 0.00 C ATOM 11 O HIS A 2 -5.542 19.278 12.268 1.00 0.00 O ATOM 12 CB HIS A 2 -4.831 16.356 11.512 1.00 0.00 C ATOM 13 CG HIS A 2 -5.257 15.644 10.246 1.00 0.00 C ATOM 14 ND1 HIS A 2 -5.186 14.281 10.037 1.00 0.00 N ATOM 15 CD2 HIS A 2 -5.854 16.193 9.139 1.00 0.00 C ATOM 16 CE1 HIS A 2 -5.730 14.022 8.837 1.00 0.00 C ATOM 17 NE2 HIS A 2 -6.149 15.155 8.251 1.00 0.00 N ATOM 0 H HIS A 2 -3.786 18.514 13.189 1.00 0.00 H new ATOM 0 HA HIS A 2 -3.488 17.552 10.404 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -4.204 15.679 12.092 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -5.721 16.557 12.109 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -6.059 17.242 8.982 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -5.818 13.037 8.403 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -6.595 15.241 7.338 1.00 0.00 H new ATOM 25 N ILE A 3 -5.133 19.526 10.068 1.00 0.00 N ATOM 26 CA ILE A 3 -5.936 20.742 9.906 1.00 0.00 C ATOM 27 C ILE A 3 -6.921 20.468 8.764 1.00 0.00 C ATOM 28 O ILE A 3 -6.761 20.998 7.666 1.00 0.00 O ATOM 29 CB ILE A 3 -5.032 21.994 9.706 1.00 0.00 C ATOM 30 CG1 ILE A 3 -3.922 22.170 10.776 1.00 0.00 C ATOM 31 CG2 ILE A 3 -5.862 23.293 9.629 1.00 0.00 C ATOM 32 CD1 ILE A 3 -4.402 22.549 12.186 1.00 0.00 C ATOM 0 H ILE A 3 -4.688 19.211 9.206 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.507 20.982 10.803 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.533 21.807 8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.358 21.239 10.843 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.230 22.938 10.430 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.195 24.143 9.489 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.554 23.233 8.789 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.424 23.421 10.554 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.542 22.645 12.849 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.937 23.498 12.145 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.067 21.773 12.565 1.00 0.00 H new ATOM 44 N SER A 4 -7.897 19.590 9.027 1.00 0.00 N ATOM 45 CA SER A 4 -9.016 19.234 8.157 1.00 0.00 C ATOM 46 C SER A 4 -10.095 18.551 9.003 1.00 0.00 C ATOM 47 O SER A 4 -9.792 18.001 10.065 1.00 0.00 O ATOM 48 CB SER A 4 -8.569 18.220 7.097 1.00 0.00 C ATOM 49 OG SER A 4 -7.684 18.789 6.167 1.00 0.00 O ATOM 0 H SER A 4 -7.924 19.079 9.910 1.00 0.00 H new ATOM 0 HA SER A 4 -9.386 20.140 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.087 17.373 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.443 17.831 6.575 1.00 0.00 H new ATOM 0 HG SER A 4 -7.359 19.649 6.508 1.00 0.00 H new ATOM 55 N GLY A 5 -11.322 18.495 8.485 1.00 0.00 N ATOM 56 CA GLY A 5 -12.453 17.763 9.050 1.00 0.00 C ATOM 57 C GLY A 5 -13.214 17.045 7.938 1.00 0.00 C ATOM 58 O GLY A 5 -14.436 17.138 7.899 1.00 0.00 O ATOM 0 H GLY A 5 -11.564 18.981 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.099 17.041 9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.118 18.451 9.573 1.00 0.00 H new ATOM 62 N ALA A 6 -12.498 16.432 6.985 1.00 0.00 N ATOM 63 CA ALA A 6 -13.070 15.816 5.788 1.00 0.00 C ATOM 64 C ALA A 6 -12.166 14.704 5.217 1.00 0.00 C ATOM 65 O ALA A 6 -12.173 14.462 4.001 1.00 0.00 O ATOM 66 CB ALA A 6 -13.352 16.909 4.746 1.00 0.00 C ATOM 0 H ALA A 6 -11.482 16.351 7.030 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.007 15.330 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.779 16.457 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.056 17.632 5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.422 17.415 4.489 1.00 0.00 H new ATOM 72 N THR A 7 -11.324 14.074 6.044 1.00 0.00 N ATOM 73 CA THR A 7 -10.499 12.941 5.637 1.00 0.00 C ATOM 74 C THR A 7 -10.404 11.913 6.758 1.00 0.00 C ATOM 75 O THR A 7 -10.711 12.194 7.920 1.00 0.00 O ATOM 76 CB THR A 7 -9.079 13.395 5.233 1.00 0.00 C ATOM 77 OG1 THR A 7 -8.483 14.238 6.210 1.00 0.00 O ATOM 78 CG2 THR A 7 -9.060 14.143 3.905 1.00 0.00 C ATOM 0 H THR A 7 -11.198 14.341 7.020 1.00 0.00 H new ATOM 0 HA THR A 7 -10.978 12.486 4.770 1.00 0.00 H new ATOM 0 HB THR A 7 -8.508 12.471 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.866 14.860 5.772 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.038 14.439 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.441 13.494 3.116 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.687 15.031 3.979 1.00 0.00 H new ATOM 86 N SER A 8 -9.846 10.757 6.411 1.00 0.00 N ATOM 87 CA SER A 8 -9.339 9.749 7.321 1.00 0.00 C ATOM 88 C SER A 8 -8.316 10.323 8.313 1.00 0.00 C ATOM 89 O SER A 8 -7.896 11.486 8.240 1.00 0.00 O ATOM 90 CB SER A 8 -8.711 8.649 6.463 1.00 0.00 C ATOM 91 OG SER A 8 -9.650 8.192 5.507 1.00 0.00 O ATOM 0 H SER A 8 -9.732 10.489 5.433 1.00 0.00 H new ATOM 0 HA SER A 8 -10.154 9.357 7.930 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.822 9.030 5.960 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.389 7.821 7.095 1.00 0.00 H new ATOM 0 HG SER A 8 -9.243 7.489 4.959 1.00 0.00 H new ATOM 97 N VAL A 9 -7.890 9.475 9.247 1.00 0.00 N ATOM 98 CA VAL A 9 -6.710 9.664 10.071 1.00 0.00 C ATOM 99 C VAL A 9 -5.953 8.341 10.001 1.00 0.00 C ATOM 100 O VAL A 9 -6.602 7.302 10.125 1.00 0.00 O ATOM 101 CB VAL A 9 -7.107 10.074 11.506 1.00 0.00 C ATOM 102 CG1 VAL A 9 -7.983 9.024 12.208 1.00 0.00 C ATOM 103 CG2 VAL A 9 -5.874 10.363 12.372 1.00 0.00 C ATOM 0 H VAL A 9 -8.380 8.605 9.454 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.073 10.476 9.721 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.695 10.985 11.396 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.229 9.368 13.212 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.901 8.877 11.639 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.440 8.081 12.271 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.192 10.648 13.375 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.252 9.470 12.429 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.300 11.177 11.928 1.00 0.00 H new ATOM 113 N ASP A 10 -4.633 8.373 9.780 1.00 0.00 N ATOM 114 CA ASP A 10 -3.697 7.281 10.113 1.00 0.00 C ATOM 115 C ASP A 10 -2.225 7.671 9.870 1.00 0.00 C ATOM 116 O ASP A 10 -1.355 6.815 9.714 1.00 0.00 O ATOM 117 CB ASP A 10 -4.023 5.979 9.355 1.00 0.00 C ATOM 118 CG ASP A 10 -3.346 4.765 9.990 1.00 0.00 C ATOM 119 OD1 ASP A 10 -3.490 4.593 11.224 1.00 0.00 O ATOM 120 OD2 ASP A 10 -2.744 3.943 9.260 1.00 0.00 O ATOM 0 H ASP A 10 -4.171 9.176 9.355 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.830 7.101 11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.102 5.827 9.342 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.702 6.073 8.318 1.00 0.00 H new ATOM 125 N GLN A 11 -1.927 8.973 9.800 1.00 0.00 N ATOM 126 CA GLN A 11 -0.588 9.508 9.546 1.00 0.00 C ATOM 127 C GLN A 11 -0.388 10.863 10.234 1.00 0.00 C ATOM 128 O GLN A 11 -1.250 11.743 10.146 1.00 0.00 O ATOM 129 CB GLN A 11 -0.355 9.701 8.033 1.00 0.00 C ATOM 130 CG GLN A 11 0.263 8.496 7.304 1.00 0.00 C ATOM 131 CD GLN A 11 1.247 8.970 6.235 1.00 0.00 C ATOM 132 OE1 GLN A 11 2.278 9.560 6.540 1.00 0.00 O ATOM 133 NE2 GLN A 11 0.966 8.812 4.958 1.00 0.00 N ATOM 0 H GLN A 11 -2.630 9.702 9.922 1.00 0.00 H new ATOM 0 HA GLN A 11 0.122 8.786 9.948 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.309 9.939 7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.295 10.564 7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.775 7.853 8.020 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.524 7.898 6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.114 8.325 4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.600 9.177 4.247 1.00 0.00 H new ATOM 142 N ARG A 12 0.795 11.074 10.824 1.00 0.00 N ATOM 143 CA ARG A 12 1.158 12.344 11.458 1.00 0.00 C ATOM 144 C ARG A 12 1.586 13.393 10.440 1.00 0.00 C ATOM 145 O ARG A 12 0.932 14.431 10.341 1.00 0.00 O ATOM 146 CB ARG A 12 2.254 12.149 12.514 1.00 0.00 C ATOM 147 CG ARG A 12 1.753 11.269 13.668 1.00 0.00 C ATOM 148 CD ARG A 12 2.660 11.351 14.896 1.00 0.00 C ATOM 149 NE ARG A 12 2.702 12.713 15.447 1.00 0.00 N ATOM 150 CZ ARG A 12 1.777 13.329 16.188 1.00 0.00 C ATOM 151 NH1 ARG A 12 0.684 12.687 16.580 1.00 0.00 N ATOM 152 NH2 ARG A 12 1.981 14.590 16.551 1.00 0.00 N ATOM 0 H ARG A 12 1.528 10.366 10.874 1.00 0.00 H new ATOM 0 HA ARG A 12 0.260 12.711 11.954 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.129 11.690 12.055 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.569 13.118 12.901 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.744 11.575 13.943 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.692 10.234 13.333 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.303 10.660 15.660 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.668 11.036 14.626 1.00 0.00 H new ATOM 0 HE ARG A 12 3.541 13.254 15.238 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.543 11.712 16.316 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.015 13.168 17.146 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.833 15.072 16.264 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.286 15.077 17.117 1.00 0.00 H new ATOM 166 N SER A 13 2.676 13.141 9.714 1.00 0.00 N ATOM 167 CA SER A 13 3.152 14.002 8.634 1.00 0.00 C ATOM 168 C SER A 13 3.639 13.117 7.489 1.00 0.00 C ATOM 169 O SER A 13 3.838 11.917 7.683 1.00 0.00 O ATOM 170 CB SER A 13 4.268 14.973 9.085 1.00 0.00 C ATOM 171 OG SER A 13 4.623 14.882 10.457 1.00 0.00 O ATOM 0 H SER A 13 3.261 12.319 9.863 1.00 0.00 H new ATOM 0 HA SER A 13 2.323 14.630 8.308 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.157 14.787 8.482 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.948 15.994 8.875 1.00 0.00 H new ATOM 0 HG SER A 13 5.334 15.527 10.654 1.00 0.00 H new ATOM 177 N LEU A 14 3.925 13.721 6.334 1.00 0.00 N ATOM 178 CA LEU A 14 4.348 13.075 5.081 1.00 0.00 C ATOM 179 C LEU A 14 5.706 12.347 5.137 1.00 0.00 C ATOM 180 O LEU A 14 6.267 12.024 4.098 1.00 0.00 O ATOM 181 CB LEU A 14 4.328 14.134 3.948 1.00 0.00 C ATOM 182 CG LEU A 14 3.584 13.713 2.669 1.00 0.00 C ATOM 183 CD1 LEU A 14 4.202 12.497 1.971 1.00 0.00 C ATOM 184 CD2 LEU A 14 2.122 13.381 2.969 1.00 0.00 C ATOM 0 H LEU A 14 3.865 14.735 6.238 1.00 0.00 H new ATOM 0 HA LEU A 14 3.633 12.275 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.869 15.045 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.357 14.381 3.686 1.00 0.00 H new ATOM 0 HG LEU A 14 3.665 14.572 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.625 12.258 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.230 12.723 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.191 11.644 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.619 13.087 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.075 12.561 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.628 14.258 3.387 1.00 0.00 H new ATOM 196 N ILE A 15 6.267 12.113 6.320 1.00 0.00 N ATOM 197 CA ILE A 15 7.409 11.255 6.603 1.00 0.00 C ATOM 198 C ILE A 15 7.091 10.620 7.953 1.00 0.00 C ATOM 199 O ILE A 15 7.668 10.992 8.982 1.00 0.00 O ATOM 200 CB ILE A 15 8.763 12.014 6.635 1.00 0.00 C ATOM 201 CG1 ILE A 15 8.616 13.434 7.247 1.00 0.00 C ATOM 202 CG2 ILE A 15 9.412 12.046 5.241 1.00 0.00 C ATOM 203 CD1 ILE A 15 9.931 14.161 7.548 1.00 0.00 C ATOM 0 H ILE A 15 5.907 12.552 7.167 1.00 0.00 H new ATOM 0 HA ILE A 15 7.543 10.518 5.811 1.00 0.00 H new ATOM 0 HB ILE A 15 9.435 11.463 7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.030 14.047 6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.045 13.355 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.359 12.584 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.592 11.026 4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.746 12.551 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.716 15.142 7.972 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.514 13.578 8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.500 14.281 6.626 1.00 0.00 H new ATOM 215 N ASN A 16 6.124 9.704 7.996 1.00 0.00 N ATOM 216 CA ASN A 16 5.856 9.026 9.259 1.00 0.00 C ATOM 217 C ASN A 16 7.035 8.129 9.637 1.00 0.00 C ATOM 218 O ASN A 16 7.462 8.130 10.792 1.00 0.00 O ATOM 219 CB ASN A 16 4.548 8.236 9.228 1.00 0.00 C ATOM 220 CG ASN A 16 4.281 7.597 10.578 1.00 0.00 C ATOM 221 OD1 ASN A 16 3.978 6.419 10.676 1.00 0.00 O ATOM 222 ND2 ASN A 16 4.381 8.363 11.647 1.00 0.00 N ATOM 0 H ASN A 16 5.538 9.425 7.209 1.00 0.00 H new ATOM 0 HA ASN A 16 5.737 9.792 10.025 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.723 8.897 8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.600 7.466 8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.204 7.973 12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.635 9.346 11.548 1.00 0.00 H new ATOM 229 N SER A 17 7.582 7.455 8.626 1.00 0.00 N ATOM 230 CA SER A 17 8.667 6.476 8.659 1.00 0.00 C ATOM 231 C SER A 17 9.319 6.362 7.264 1.00 0.00 C ATOM 232 O SER A 17 9.481 5.263 6.739 1.00 0.00 O ATOM 233 CB SER A 17 8.132 5.104 9.123 1.00 0.00 C ATOM 234 OG SER A 17 7.356 5.165 10.306 1.00 0.00 O ATOM 0 H SER A 17 7.244 7.594 7.674 1.00 0.00 H new ATOM 0 HA SER A 17 9.424 6.808 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.528 4.671 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.974 4.432 9.286 1.00 0.00 H new ATOM 0 HG SER A 17 7.183 4.257 10.631 1.00 0.00 H new ATOM 240 N ASN A 18 9.664 7.484 6.612 1.00 0.00 N ATOM 241 CA ASN A 18 10.287 7.470 5.277 1.00 0.00 C ATOM 242 C ASN A 18 11.648 8.157 5.294 1.00 0.00 C ATOM 243 O ASN A 18 11.860 9.052 6.113 1.00 0.00 O ATOM 244 CB ASN A 18 9.373 8.124 4.231 1.00 0.00 C ATOM 245 CG ASN A 18 9.989 8.045 2.832 1.00 0.00 C ATOM 246 OD1 ASN A 18 10.532 7.011 2.457 1.00 0.00 O ATOM 247 ND2 ASN A 18 9.986 9.112 2.063 1.00 0.00 N ATOM 0 H ASN A 18 9.521 8.420 6.991 1.00 0.00 H new ATOM 0 HA ASN A 18 10.435 6.426 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.402 7.629 4.232 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.200 9.167 4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.437 9.083 1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.533 9.969 2.381 1.00 0.00 H new ATOM 254 N VAL A 19 12.552 7.787 4.380 1.00 0.00 N ATOM 255 CA VAL A 19 13.854 8.429 4.269 1.00 0.00 C ATOM 256 C VAL A 19 14.500 8.251 2.898 1.00 0.00 C ATOM 257 O VAL A 19 15.684 8.497 2.668 1.00 0.00 O ATOM 258 CB VAL A 19 14.822 7.810 5.297 1.00 0.00 C ATOM 259 CG1 VAL A 19 15.685 6.570 4.968 1.00 0.00 C ATOM 260 CG2 VAL A 19 15.674 8.924 5.725 1.00 0.00 C ATOM 0 H VAL A 19 12.398 7.039 3.704 1.00 0.00 H new ATOM 0 HA VAL A 19 13.680 9.491 4.441 1.00 0.00 H new ATOM 0 HB VAL A 19 14.172 7.354 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 19 16.290 6.307 5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 19 15.036 5.733 4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.338 6.795 4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.395 8.569 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.204 9.329 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.056 9.704 6.170 1.00 0.00 H new ATOM 270 N GLY A 20 13.663 7.973 1.938 1.00 0.00 N ATOM 271 CA GLY A 20 14.002 8.013 0.564 1.00 0.00 C ATOM 272 C GLY A 20 13.667 6.661 -0.031 1.00 0.00 C ATOM 273 O GLY A 20 12.533 6.412 -0.446 1.00 0.00 O ATOM 0 H GLY A 20 12.694 7.704 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.448 8.803 0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.062 8.235 0.438 1.00 0.00 H new ATOM 277 N PHE A 21 14.661 5.781 0.033 1.00 0.00 N ATOM 278 CA PHE A 21 14.686 4.372 -0.336 1.00 0.00 C ATOM 279 C PHE A 21 15.714 3.652 0.549 1.00 0.00 C ATOM 280 O PHE A 21 16.689 4.259 1.003 1.00 0.00 O ATOM 281 CB PHE A 21 15.076 4.230 -1.817 1.00 0.00 C ATOM 282 CG PHE A 21 13.890 4.224 -2.763 1.00 0.00 C ATOM 283 CD1 PHE A 21 13.315 5.431 -3.193 1.00 0.00 C ATOM 284 CD2 PHE A 21 13.323 3.006 -3.180 1.00 0.00 C ATOM 285 CE1 PHE A 21 12.142 5.418 -3.966 1.00 0.00 C ATOM 286 CE2 PHE A 21 12.155 2.992 -3.965 1.00 0.00 C ATOM 287 CZ PHE A 21 11.551 4.201 -4.346 1.00 0.00 C ATOM 0 H PHE A 21 15.572 6.074 0.385 1.00 0.00 H new ATOM 0 HA PHE A 21 13.700 3.930 -0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.742 5.050 -2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.639 3.306 -1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.776 6.371 -2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.788 2.074 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.691 6.351 -4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.723 2.052 -4.274 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.640 4.196 -4.926 1.00 0.00 H new ATOM 297 N VAL A 22 15.493 2.359 0.777 1.00 0.00 N ATOM 298 CA VAL A 22 16.323 1.413 1.514 1.00 0.00 C ATOM 299 C VAL A 22 16.262 0.084 0.761 1.00 0.00 C ATOM 300 O VAL A 22 15.234 -0.259 0.170 1.00 0.00 O ATOM 301 CB VAL A 22 15.841 1.340 2.989 1.00 0.00 C ATOM 302 CG1 VAL A 22 16.338 0.111 3.765 1.00 0.00 C ATOM 303 CG2 VAL A 22 16.375 2.557 3.767 1.00 0.00 C ATOM 0 H VAL A 22 14.652 1.908 0.417 1.00 0.00 H new ATOM 0 HA VAL A 22 17.368 1.717 1.569 1.00 0.00 H new ATOM 0 HB VAL A 22 14.754 1.299 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.953 0.144 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.987 -0.796 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 22 17.428 0.112 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.036 2.505 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.465 2.556 3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.003 3.473 3.309 1.00 0.00 H new ATOM 313 N THR A 23 17.363 -0.662 0.752 1.00 0.00 N ATOM 314 CA THR A 23 17.422 -1.972 0.117 1.00 0.00 C ATOM 315 C THR A 23 17.120 -3.045 1.172 1.00 0.00 C ATOM 316 O THR A 23 17.395 -2.858 2.363 1.00 0.00 O ATOM 317 CB THR A 23 18.801 -2.118 -0.555 1.00 0.00 C ATOM 318 OG1 THR A 23 18.990 -1.037 -1.457 1.00 0.00 O ATOM 319 CG2 THR A 23 18.959 -3.421 -1.346 1.00 0.00 C ATOM 0 H THR A 23 18.240 -0.373 1.186 1.00 0.00 H new ATOM 0 HA THR A 23 16.673 -2.092 -0.666 1.00 0.00 H new ATOM 0 HB THR A 23 19.540 -2.124 0.247 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.866 -1.120 -1.888 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.953 -3.458 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.831 -4.271 -0.676 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.206 -3.462 -2.133 1.00 0.00 H new ATOM 327 N MET A 24 16.558 -4.182 0.754 1.00 0.00 N ATOM 328 CA MET A 24 16.335 -5.330 1.614 1.00 0.00 C ATOM 329 C MET A 24 16.933 -6.597 1.025 1.00 0.00 C ATOM 330 O MET A 24 17.295 -6.654 -0.151 1.00 0.00 O ATOM 331 CB MET A 24 14.848 -5.538 1.911 1.00 0.00 C ATOM 332 CG MET A 24 14.095 -4.268 2.292 1.00 0.00 C ATOM 333 SD MET A 24 12.385 -4.538 2.839 1.00 0.00 S ATOM 334 CE MET A 24 12.652 -5.507 4.341 1.00 0.00 C ATOM 0 H MET A 24 16.243 -4.326 -0.206 1.00 0.00 H new ATOM 0 HA MET A 24 16.843 -5.116 2.554 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.373 -5.977 1.034 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.750 -6.260 2.721 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.642 -3.762 3.088 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.086 -3.595 1.434 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.706 -5.630 4.868 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.049 -6.487 4.076 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.362 -4.990 4.986 1.00 0.00 H new ATOM 344 N ILE A 25 16.977 -7.623 1.871 1.00 0.00 N ATOM 345 CA ILE A 25 17.685 -8.880 1.663 1.00 0.00 C ATOM 346 C ILE A 25 16.677 -10.007 1.878 1.00 0.00 C ATOM 347 O ILE A 25 16.022 -10.052 2.920 1.00 0.00 O ATOM 348 CB ILE A 25 18.859 -8.984 2.668 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.848 -7.800 2.648 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.608 -10.323 2.535 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.632 -7.645 1.344 1.00 0.00 C ATOM 0 H ILE A 25 16.493 -7.597 2.768 1.00 0.00 H new ATOM 0 HA ILE A 25 18.103 -8.942 0.658 1.00 0.00 H new ATOM 0 HB ILE A 25 18.377 -8.938 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.295 -6.879 2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.555 -7.921 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.424 -10.357 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.919 -11.146 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.012 -10.416 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.301 -6.788 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.216 -8.547 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.938 -7.489 0.518 1.00 0.00 H new ATOM 363 N LEU A 26 16.571 -10.913 0.908 1.00 0.00 N ATOM 364 CA LEU A 26 15.707 -12.087 0.943 1.00 0.00 C ATOM 365 C LEU A 26 16.581 -13.324 0.731 1.00 0.00 C ATOM 366 O LEU A 26 17.081 -13.523 -0.381 1.00 0.00 O ATOM 367 CB LEU A 26 14.645 -11.982 -0.170 1.00 0.00 C ATOM 368 CG LEU A 26 13.248 -11.580 0.297 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.202 -10.118 0.756 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.266 -11.807 -0.852 1.00 0.00 C ATOM 0 H LEU A 26 17.107 -10.845 0.043 1.00 0.00 H new ATOM 0 HA LEU A 26 15.192 -12.157 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.986 -11.256 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.578 -12.944 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 26 12.974 -12.193 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.191 -9.870 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.895 -9.975 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.487 -9.468 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.262 -11.524 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.560 -11.199 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.274 -12.860 -1.135 1.00 0.00 H new ATOM 382 N GLN A 27 16.748 -14.183 1.744 1.00 0.00 N ATOM 383 CA GLN A 27 17.399 -15.489 1.579 1.00 0.00 C ATOM 384 C GLN A 27 16.427 -16.617 1.958 1.00 0.00 C ATOM 385 O GLN A 27 15.508 -16.409 2.758 1.00 0.00 O ATOM 386 CB GLN A 27 18.725 -15.570 2.362 1.00 0.00 C ATOM 387 CG GLN A 27 19.566 -14.286 2.263 1.00 0.00 C ATOM 388 CD GLN A 27 20.871 -14.342 3.052 1.00 0.00 C ATOM 389 OE1 GLN A 27 21.116 -13.529 3.937 1.00 0.00 O ATOM 390 NE2 GLN A 27 21.781 -15.245 2.726 1.00 0.00 N ATOM 0 H GLN A 27 16.437 -13.994 2.697 1.00 0.00 H new ATOM 0 HA GLN A 27 17.661 -15.613 0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.509 -15.775 3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.310 -16.410 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.794 -14.092 1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.972 -13.445 2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 27 21.585 -15.925 1.991 1.00 0.00 H new ATOM 0 HE22 GLN A 27 22.679 -15.262 3.210 1.00 0.00 H new ATOM 399 N CYS A 28 16.612 -17.788 1.348 1.00 0.00 N ATOM 400 CA CYS A 28 15.798 -18.995 1.514 1.00 0.00 C ATOM 401 C CYS A 28 16.772 -20.179 1.739 1.00 0.00 C ATOM 402 O CYS A 28 17.991 -20.012 1.618 1.00 0.00 O ATOM 403 CB CYS A 28 14.937 -19.143 0.249 1.00 0.00 C ATOM 404 SG CYS A 28 13.823 -20.572 0.217 1.00 0.00 S ATOM 0 H CYS A 28 17.376 -17.929 0.688 1.00 0.00 H new ATOM 0 HA CYS A 28 15.123 -18.955 2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.341 -18.238 0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 28 15.600 -19.203 -0.614 1.00 0.00 H new ATOM 0 HG CYS A 28 12.590 -20.162 0.260 1.00 0.00 H new ATOM 410 N SER A 29 16.284 -21.393 2.032 1.00 0.00 N ATOM 411 CA SER A 29 17.157 -22.559 2.252 1.00 0.00 C ATOM 412 C SER A 29 17.567 -23.298 0.964 1.00 0.00 C ATOM 413 O SER A 29 18.455 -24.163 1.013 1.00 0.00 O ATOM 414 CB SER A 29 16.571 -23.485 3.340 1.00 0.00 C ATOM 415 OG SER A 29 15.907 -24.656 2.896 1.00 0.00 O ATOM 0 H SER A 29 15.288 -21.595 2.123 1.00 0.00 H new ATOM 0 HA SER A 29 18.104 -22.173 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.383 -23.786 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.870 -22.904 3.939 1.00 0.00 H new ATOM 0 HG SER A 29 15.582 -25.161 3.670 1.00 0.00 H new ATOM 421 N ILE A 30 16.955 -22.980 -0.180 1.00 0.00 N ATOM 422 CA ILE A 30 17.025 -23.761 -1.419 1.00 0.00 C ATOM 423 C ILE A 30 17.317 -22.820 -2.589 1.00 0.00 C ATOM 424 O ILE A 30 17.422 -21.610 -2.391 1.00 0.00 O ATOM 425 CB ILE A 30 15.743 -24.612 -1.622 1.00 0.00 C ATOM 426 CG1 ILE A 30 14.491 -23.736 -1.815 1.00 0.00 C ATOM 427 CG2 ILE A 30 15.563 -25.608 -0.463 1.00 0.00 C ATOM 428 CD1 ILE A 30 13.203 -24.511 -2.101 1.00 0.00 C ATOM 0 H ILE A 30 16.378 -22.144 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 30 17.843 -24.479 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 30 15.869 -25.182 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.344 -23.134 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.672 -23.044 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.659 -26.195 -0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.425 -26.274 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.478 -25.062 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.376 -23.811 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.323 -25.092 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.990 -25.183 -1.270 1.00 0.00 H new ATOM 440 N GLU A 31 17.489 -23.354 -3.798 1.00 0.00 N ATOM 441 CA GLU A 31 17.758 -22.570 -5.001 1.00 0.00 C ATOM 442 C GLU A 31 16.501 -21.815 -5.451 1.00 0.00 C ATOM 443 O GLU A 31 15.374 -22.245 -5.173 1.00 0.00 O ATOM 444 CB GLU A 31 18.312 -23.531 -6.074 1.00 0.00 C ATOM 445 CG GLU A 31 18.965 -22.860 -7.301 1.00 0.00 C ATOM 446 CD GLU A 31 18.178 -22.964 -8.612 1.00 0.00 C ATOM 447 OE1 GLU A 31 17.004 -23.387 -8.589 1.00 0.00 O ATOM 448 OE2 GLU A 31 18.767 -22.646 -9.675 1.00 0.00 O ATOM 0 H GLU A 31 17.445 -24.358 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 31 18.504 -21.798 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 31 19.048 -24.184 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.498 -24.167 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 31 19.121 -21.805 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.949 -23.303 -7.453 1.00 0.00 H new ATOM 455 N MET A 32 16.699 -20.692 -6.150 1.00 0.00 N ATOM 456 CA MET A 32 15.670 -19.903 -6.820 1.00 0.00 C ATOM 457 C MET A 32 15.827 -19.952 -8.352 1.00 0.00 C ATOM 458 O MET A 32 16.527 -19.107 -8.915 1.00 0.00 O ATOM 459 CB MET A 32 15.558 -18.462 -6.302 1.00 0.00 C ATOM 460 CG MET A 32 14.429 -18.292 -5.298 1.00 0.00 C ATOM 461 SD MET A 32 13.899 -16.576 -5.062 1.00 0.00 S ATOM 462 CE MET A 32 15.391 -15.940 -4.262 1.00 0.00 C ATOM 0 H MET A 32 17.630 -20.292 -6.267 1.00 0.00 H new ATOM 0 HA MET A 32 14.722 -20.376 -6.564 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.500 -18.172 -5.837 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.397 -17.788 -7.143 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.574 -18.883 -5.626 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.747 -18.698 -4.338 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.136 -15.073 -3.652 1.00 0.00 H new ATOM 0 HE2 MET A 32 15.823 -16.715 -3.629 1.00 0.00 H new ATOM 0 HE3 MET A 32 16.115 -15.648 -5.022 1.00 0.00 H new ATOM 472 N PRO A 33 15.242 -20.942 -9.044 1.00 0.00 N ATOM 473 CA PRO A 33 15.309 -21.057 -10.494 1.00 0.00 C ATOM 474 C PRO A 33 14.608 -19.886 -11.190 1.00 0.00 C ATOM 475 O PRO A 33 15.033 -19.460 -12.262 1.00 0.00 O ATOM 476 CB PRO A 33 14.643 -22.396 -10.831 1.00 0.00 C ATOM 477 CG PRO A 33 13.706 -22.673 -9.666 1.00 0.00 C ATOM 478 CD PRO A 33 14.338 -21.930 -8.497 1.00 0.00 C ATOM 0 HA PRO A 33 16.340 -21.024 -10.847 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.096 -22.339 -11.772 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.383 -23.189 -10.940 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.698 -22.311 -9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.627 -23.741 -9.463 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.571 -21.452 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.875 -22.622 -7.848 1.00 0.00 H new ATOM 486 N ASN A 34 13.552 -19.343 -10.575 1.00 0.00 N ATOM 487 CA ASN A 34 12.733 -18.252 -11.092 1.00 0.00 C ATOM 488 C ASN A 34 12.347 -17.338 -9.949 1.00 0.00 C ATOM 489 O ASN A 34 11.883 -17.803 -8.906 1.00 0.00 O ATOM 490 CB ASN A 34 11.438 -18.747 -11.767 1.00 0.00 C ATOM 491 CG ASN A 34 10.868 -20.046 -11.240 1.00 0.00 C ATOM 492 OD1 ASN A 34 10.807 -21.039 -11.950 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.462 -20.069 -9.994 1.00 0.00 N ATOM 0 H ASN A 34 13.234 -19.670 -9.663 1.00 0.00 H new ATOM 0 HA ASN A 34 13.329 -17.733 -11.842 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.679 -17.972 -11.663 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.630 -18.864 -12.834 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.085 -20.929 -9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.523 -19.227 -9.422 1.00 0.00 H new ATOM 500 N ILE A 35 12.438 -16.038 -10.215 1.00 0.00 N ATOM 501 CA ILE A 35 12.138 -14.921 -9.321 1.00 0.00 C ATOM 502 C ILE A 35 10.749 -15.000 -8.667 1.00 0.00 C ATOM 503 O ILE A 35 10.536 -14.487 -7.570 1.00 0.00 O ATOM 504 CB ILE A 35 12.356 -13.626 -10.139 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.267 -12.366 -9.267 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.425 -13.538 -11.368 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.078 -11.211 -9.862 1.00 0.00 C ATOM 0 H ILE A 35 12.747 -15.712 -11.131 1.00 0.00 H new ATOM 0 HA ILE A 35 12.808 -14.947 -8.462 1.00 0.00 H new ATOM 0 HB ILE A 35 13.375 -13.678 -10.522 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.224 -12.065 -9.166 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.632 -12.590 -8.265 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.620 -12.610 -11.906 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.611 -14.386 -12.027 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.386 -13.556 -11.039 1.00 0.00 H new ATOM 0 HD11 ILE A 35 12.991 -10.336 -9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.125 -11.503 -9.938 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.695 -10.971 -10.854 1.00 0.00 H new ATOM 519 N SER A 36 9.804 -15.701 -9.297 1.00 0.00 N ATOM 520 CA SER A 36 8.468 -15.916 -8.767 1.00 0.00 C ATOM 521 C SER A 36 8.472 -16.505 -7.350 1.00 0.00 C ATOM 522 O SER A 36 7.542 -16.217 -6.607 1.00 0.00 O ATOM 523 CB SER A 36 7.717 -16.845 -9.722 1.00 0.00 C ATOM 524 OG SER A 36 6.319 -16.619 -9.712 1.00 0.00 O ATOM 0 H SER A 36 9.955 -16.140 -10.205 1.00 0.00 H new ATOM 0 HA SER A 36 7.973 -14.948 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.097 -16.705 -10.734 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.916 -17.881 -9.447 1.00 0.00 H new ATOM 0 HG SER A 36 5.884 -17.235 -10.338 1.00 0.00 H new ATOM 530 N TYR A 37 9.488 -17.293 -6.974 1.00 0.00 N ATOM 531 CA TYR A 37 9.636 -17.871 -5.638 1.00 0.00 C ATOM 532 C TYR A 37 9.508 -16.775 -4.577 1.00 0.00 C ATOM 533 O TYR A 37 8.640 -16.856 -3.712 1.00 0.00 O ATOM 534 CB TYR A 37 11.001 -18.571 -5.547 1.00 0.00 C ATOM 535 CG TYR A 37 10.989 -20.088 -5.586 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.749 -20.803 -4.405 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.310 -20.792 -6.757 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.894 -22.199 -4.366 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.448 -22.193 -6.741 1.00 0.00 C ATOM 540 CZ TYR A 37 11.301 -22.894 -5.522 1.00 0.00 C ATOM 541 OH TYR A 37 11.568 -24.227 -5.456 1.00 0.00 O ATOM 0 H TYR A 37 10.245 -17.550 -7.607 1.00 0.00 H new ATOM 0 HA TYR A 37 8.849 -18.604 -5.458 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.623 -18.214 -6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.484 -18.258 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.449 -20.273 -3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.453 -20.252 -7.682 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.694 -22.739 -3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.665 -22.729 -7.654 1.00 0.00 H new ATOM 0 HH TYR A 37 11.835 -24.551 -6.341 1.00 0.00 H new ATOM 551 N ALA A 38 10.341 -15.731 -4.666 1.00 0.00 N ATOM 552 CA ALA A 38 10.365 -14.650 -3.687 1.00 0.00 C ATOM 553 C ALA A 38 9.028 -13.917 -3.644 1.00 0.00 C ATOM 554 O ALA A 38 8.506 -13.630 -2.568 1.00 0.00 O ATOM 555 CB ALA A 38 11.506 -13.684 -4.026 1.00 0.00 C ATOM 0 H ALA A 38 11.016 -15.617 -5.422 1.00 0.00 H new ATOM 0 HA ALA A 38 10.535 -15.073 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.527 -12.875 -3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.455 -14.219 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.349 -13.270 -5.022 1.00 0.00 H new ATOM 561 N TRP A 39 8.486 -13.611 -4.824 1.00 0.00 N ATOM 562 CA TRP A 39 7.224 -12.918 -4.965 1.00 0.00 C ATOM 563 C TRP A 39 6.055 -13.687 -4.367 1.00 0.00 C ATOM 564 O TRP A 39 5.132 -13.038 -3.889 1.00 0.00 O ATOM 565 CB TRP A 39 6.956 -12.651 -6.442 1.00 0.00 C ATOM 566 CG TRP A 39 7.725 -11.528 -7.060 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.599 -11.633 -8.088 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.646 -10.110 -6.740 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.039 -10.377 -8.454 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.475 -9.406 -7.660 1.00 0.00 C ATOM 571 CE3 TRP A 39 6.938 -9.348 -5.783 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.582 -8.016 -7.647 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.057 -7.945 -5.749 1.00 0.00 C ATOM 574 CH2 TRP A 39 7.872 -7.293 -6.686 1.00 0.00 C ATOM 0 H TRP A 39 8.925 -13.845 -5.715 1.00 0.00 H new ATOM 0 HA TRP A 39 7.307 -11.982 -4.412 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.173 -13.562 -7.000 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.892 -12.447 -6.566 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.906 -12.559 -8.552 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.695 -10.193 -9.213 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.299 -9.847 -5.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.204 -7.507 -8.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.523 -7.373 -5.004 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.952 -6.216 -6.664 1.00 0.00 H new ATOM 585 N LYS A 40 6.056 -15.021 -4.403 1.00 0.00 N ATOM 586 CA LYS A 40 4.956 -15.837 -3.896 1.00 0.00 C ATOM 587 C LYS A 40 4.830 -15.669 -2.390 1.00 0.00 C ATOM 588 O LYS A 40 3.758 -15.291 -1.919 1.00 0.00 O ATOM 589 CB LYS A 40 5.156 -17.289 -4.311 1.00 0.00 C ATOM 590 CG LYS A 40 4.734 -17.470 -5.773 1.00 0.00 C ATOM 591 CD LYS A 40 5.435 -18.669 -6.384 1.00 0.00 C ATOM 592 CE LYS A 40 4.773 -19.982 -5.969 1.00 0.00 C ATOM 593 NZ LYS A 40 5.621 -21.120 -6.359 1.00 0.00 N ATOM 0 H LYS A 40 6.827 -15.567 -4.788 1.00 0.00 H new ATOM 0 HA LYS A 40 4.014 -15.503 -4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.201 -17.573 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.569 -17.945 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.654 -17.604 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.975 -16.572 -6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.423 -18.583 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.481 -18.675 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.610 -19.992 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.794 -20.070 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.163 -22.009 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.755 -21.116 -7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.546 -21.041 -5.890 1.00 0.00 H new ATOM 607 N GLU A 41 5.929 -15.866 -1.658 1.00 0.00 N ATOM 608 CA GLU A 41 5.945 -15.700 -0.210 1.00 0.00 C ATOM 609 C GLU A 41 5.565 -14.260 0.137 1.00 0.00 C ATOM 610 O GLU A 41 4.742 -14.015 1.021 1.00 0.00 O ATOM 611 CB GLU A 41 7.338 -16.026 0.351 1.00 0.00 C ATOM 612 CG GLU A 41 7.262 -16.754 1.706 1.00 0.00 C ATOM 613 CD GLU A 41 6.828 -18.232 1.612 1.00 0.00 C ATOM 614 OE1 GLU A 41 7.082 -18.878 0.572 1.00 0.00 O ATOM 615 OE2 GLU A 41 6.298 -18.784 2.606 1.00 0.00 O ATOM 0 H GLU A 41 6.827 -16.144 -2.054 1.00 0.00 H new ATOM 0 HA GLU A 41 5.225 -16.385 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.880 -16.646 -0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.906 -15.103 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.239 -16.705 2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.562 -16.223 2.351 1.00 0.00 H new ATOM 622 N LEU A 42 6.151 -13.302 -0.594 1.00 0.00 N ATOM 623 CA LEU A 42 5.853 -11.889 -0.436 1.00 0.00 C ATOM 624 C LEU A 42 4.381 -11.619 -0.615 1.00 0.00 C ATOM 625 O LEU A 42 3.834 -10.857 0.176 1.00 0.00 O ATOM 626 CB LEU A 42 6.706 -11.001 -1.379 1.00 0.00 C ATOM 627 CG LEU A 42 7.899 -10.293 -0.704 1.00 0.00 C ATOM 628 CD1 LEU A 42 8.451 -11.092 0.467 1.00 0.00 C ATOM 629 CD2 LEU A 42 9.059 -10.041 -1.665 1.00 0.00 C ATOM 0 H LEU A 42 6.848 -13.496 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 42 6.124 -11.619 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.083 -11.619 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.060 -10.245 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 42 7.494 -9.342 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.289 -10.555 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.670 -11.228 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.790 -12.066 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.869 -9.541 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.417 -10.992 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.720 -9.411 -2.487 1.00 0.00 H new ATOM 641 N LYS A 43 3.730 -12.224 -1.605 1.00 0.00 N ATOM 642 CA LYS A 43 2.319 -11.995 -1.799 1.00 0.00 C ATOM 643 C LYS A 43 1.485 -12.567 -0.641 1.00 0.00 C ATOM 644 O LYS A 43 0.472 -11.962 -0.302 1.00 0.00 O ATOM 645 CB LYS A 43 1.890 -12.542 -3.173 1.00 0.00 C ATOM 646 CG LYS A 43 2.258 -11.613 -4.347 1.00 0.00 C ATOM 647 CD LYS A 43 2.256 -12.374 -5.680 1.00 0.00 C ATOM 648 CE LYS A 43 2.240 -11.403 -6.870 1.00 0.00 C ATOM 649 NZ LYS A 43 0.904 -11.309 -7.506 1.00 0.00 N ATOM 0 H LYS A 43 4.158 -12.866 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 43 2.129 -10.922 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.356 -13.515 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.812 -12.702 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.549 -10.787 -4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.243 -11.178 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.137 -13.013 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.385 -13.028 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.549 -10.414 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.970 -11.729 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.800 -10.378 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.808 -12.056 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.166 -11.427 -6.783 1.00 0.00 H new ATOM 663 N GLU A 44 1.882 -13.662 0.015 1.00 0.00 N ATOM 664 CA GLU A 44 1.095 -14.226 1.124 1.00 0.00 C ATOM 665 C GLU A 44 1.356 -13.510 2.458 1.00 0.00 C ATOM 666 O GLU A 44 0.498 -13.518 3.346 1.00 0.00 O ATOM 667 CB GLU A 44 1.349 -15.742 1.246 1.00 0.00 C ATOM 668 CG GLU A 44 0.024 -16.485 1.539 1.00 0.00 C ATOM 669 CD GLU A 44 0.071 -18.020 1.459 1.00 0.00 C ATOM 670 OE1 GLU A 44 0.049 -18.586 0.336 1.00 0.00 O ATOM 671 OE2 GLU A 44 0.033 -18.681 2.524 1.00 0.00 O ATOM 0 H GLU A 44 2.737 -14.175 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 44 0.043 -14.064 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.789 -16.120 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.066 -15.935 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.312 -16.205 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.730 -16.129 0.837 1.00 0.00 H new ATOM 678 N GLN A 45 2.529 -12.893 2.610 1.00 0.00 N ATOM 679 CA GLN A 45 2.892 -12.108 3.793 1.00 0.00 C ATOM 680 C GLN A 45 2.436 -10.650 3.697 1.00 0.00 C ATOM 681 O GLN A 45 1.957 -10.090 4.681 1.00 0.00 O ATOM 682 CB GLN A 45 4.413 -12.174 3.975 1.00 0.00 C ATOM 683 CG GLN A 45 4.841 -13.508 4.607 1.00 0.00 C ATOM 684 CD GLN A 45 4.942 -13.378 6.125 1.00 0.00 C ATOM 685 OE1 GLN A 45 6.010 -13.235 6.713 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.819 -13.416 6.812 1.00 0.00 N ATOM 0 H GLN A 45 3.265 -12.925 1.905 1.00 0.00 H new ATOM 0 HA GLN A 45 2.380 -12.537 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.903 -12.053 3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.742 -11.348 4.605 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.121 -14.285 4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.803 -13.818 4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.929 -13.535 6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.839 -13.327 7.828 1.00 0.00 H new ATOM 695 N LEU A 46 2.618 -10.018 2.538 1.00 0.00 N ATOM 696 CA LEU A 46 2.394 -8.591 2.347 1.00 0.00 C ATOM 697 C LEU A 46 1.139 -8.312 1.527 1.00 0.00 C ATOM 698 O LEU A 46 0.731 -7.152 1.443 1.00 0.00 O ATOM 699 CB LEU A 46 3.604 -7.941 1.663 1.00 0.00 C ATOM 700 CG LEU A 46 4.953 -8.057 2.400 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.943 -7.257 1.558 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.865 -7.528 3.835 1.00 0.00 C ATOM 0 H LEU A 46 2.931 -10.495 1.692 1.00 0.00 H new ATOM 0 HA LEU A 46 2.255 -8.158 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.716 -8.385 0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.385 -6.883 1.515 1.00 0.00 H new ATOM 0 HG LEU A 46 5.265 -9.096 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.929 -7.294 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.997 -7.684 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.611 -6.221 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.836 -7.628 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.574 -6.478 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.122 -8.102 4.389 1.00 0.00 H new ATOM 714 N GLY A 47 0.503 -9.337 0.965 1.00 0.00 N ATOM 715 CA GLY A 47 -0.703 -9.222 0.171 1.00 0.00 C ATOM 716 C GLY A 47 -0.393 -9.315 -1.310 1.00 0.00 C ATOM 717 O GLY A 47 0.679 -8.935 -1.776 1.00 0.00 O ATOM 0 H GLY A 47 0.829 -10.299 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.402 -10.011 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.193 -8.272 0.384 1.00 0.00 H new ATOM 721 N GLU A 48 -1.383 -9.792 -2.053 1.00 0.00 N ATOM 722 CA GLU A 48 -1.301 -10.149 -3.456 1.00 0.00 C ATOM 723 C GLU A 48 -1.088 -8.944 -4.373 1.00 0.00 C ATOM 724 O GLU A 48 -0.880 -9.131 -5.569 1.00 0.00 O ATOM 725 CB GLU A 48 -2.586 -10.907 -3.822 1.00 0.00 C ATOM 726 CG GLU A 48 -2.399 -12.428 -3.757 1.00 0.00 C ATOM 727 CD GLU A 48 -1.463 -12.998 -4.835 1.00 0.00 C ATOM 728 OE1 GLU A 48 -1.026 -12.249 -5.741 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.186 -14.217 -4.771 1.00 0.00 O ATOM 0 H GLU A 48 -2.315 -9.947 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.424 -10.778 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.386 -10.612 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.899 -10.624 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.006 -12.692 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.374 -12.906 -3.850 1.00 0.00 H new ATOM 736 N GLU A 49 -1.108 -7.720 -3.838 1.00 0.00 N ATOM 737 CA GLU A 49 -0.852 -6.484 -4.541 1.00 0.00 C ATOM 738 C GLU A 49 0.396 -5.832 -3.933 1.00 0.00 C ATOM 739 O GLU A 49 0.327 -4.778 -3.290 1.00 0.00 O ATOM 740 CB GLU A 49 -2.104 -5.602 -4.438 1.00 0.00 C ATOM 741 CG GLU A 49 -3.363 -6.161 -5.126 1.00 0.00 C ATOM 742 CD GLU A 49 -3.297 -6.202 -6.660 1.00 0.00 C ATOM 743 OE1 GLU A 49 -2.223 -6.050 -7.293 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.367 -6.461 -7.249 1.00 0.00 O ATOM 0 H GLU A 49 -1.315 -7.569 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.652 -6.645 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.328 -5.440 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.877 -4.627 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.543 -7.171 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.220 -5.556 -4.830 1.00 0.00 H new ATOM 751 N ILE A 50 1.555 -6.464 -4.108 1.00 0.00 N ATOM 752 CA ILE A 50 2.868 -6.003 -3.656 1.00 0.00 C ATOM 753 C ILE A 50 3.791 -5.703 -4.852 1.00 0.00 C ATOM 754 O ILE A 50 4.744 -4.929 -4.740 1.00 0.00 O ATOM 755 CB ILE A 50 3.440 -7.011 -2.639 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.726 -6.512 -1.954 1.00 0.00 C ATOM 757 CG2 ILE A 50 3.681 -8.407 -3.236 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.541 -5.219 -1.142 1.00 0.00 C ATOM 0 H ILE A 50 1.607 -7.359 -4.595 1.00 0.00 H new ATOM 0 HA ILE A 50 2.778 -5.051 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 50 2.661 -7.098 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.100 -7.294 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.489 -6.345 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.084 -9.067 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.739 -8.812 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.392 -8.333 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.491 -4.933 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.198 -4.422 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.803 -5.385 -0.358 1.00 0.00 H new ATOM 770 N ASP A 51 3.479 -6.235 -6.035 1.00 0.00 N ATOM 771 CA ASP A 51 4.255 -6.090 -7.267 1.00 0.00 C ATOM 772 C ASP A 51 4.341 -4.665 -7.833 1.00 0.00 C ATOM 773 O ASP A 51 5.211 -4.431 -8.671 1.00 0.00 O ATOM 774 CB ASP A 51 3.797 -7.098 -8.330 1.00 0.00 C ATOM 775 CG ASP A 51 2.352 -6.907 -8.789 1.00 0.00 C ATOM 776 OD1 ASP A 51 1.987 -5.788 -9.218 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.568 -7.870 -8.652 1.00 0.00 O ATOM 0 H ASP A 51 2.642 -6.803 -6.166 1.00 0.00 H new ATOM 0 HA ASP A 51 5.280 -6.318 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.455 -7.021 -9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.910 -8.106 -7.932 1.00 0.00 H new ATOM 782 N SER A 52 3.659 -3.659 -7.279 1.00 0.00 N ATOM 783 CA SER A 52 3.888 -2.254 -7.636 1.00 0.00 C ATOM 784 C SER A 52 5.003 -1.549 -6.841 1.00 0.00 C ATOM 785 O SER A 52 5.739 -0.746 -7.431 1.00 0.00 O ATOM 786 CB SER A 52 2.568 -1.479 -7.534 1.00 0.00 C ATOM 787 OG SER A 52 2.020 -1.192 -8.810 1.00 0.00 O ATOM 0 H SER A 52 2.935 -3.793 -6.573 1.00 0.00 H new ATOM 0 HA SER A 52 4.252 -2.261 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.851 -2.060 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.736 -0.547 -6.994 1.00 0.00 H new ATOM 0 HG SER A 52 1.180 -0.700 -8.702 1.00 0.00 H new ATOM 793 N LYS A 53 5.113 -1.754 -5.514 1.00 0.00 N ATOM 794 CA LYS A 53 5.845 -0.830 -4.638 1.00 0.00 C ATOM 795 C LYS A 53 7.359 -1.057 -4.575 1.00 0.00 C ATOM 796 O LYS A 53 8.101 -0.104 -4.334 1.00 0.00 O ATOM 797 CB LYS A 53 5.255 -0.868 -3.212 1.00 0.00 C ATOM 798 CG LYS A 53 4.333 0.324 -2.904 1.00 0.00 C ATOM 799 CD LYS A 53 2.966 0.320 -3.620 1.00 0.00 C ATOM 800 CE LYS A 53 1.886 -0.183 -2.649 1.00 0.00 C ATOM 801 NZ LYS A 53 0.727 -0.777 -3.347 1.00 0.00 N ATOM 0 H LYS A 53 4.703 -2.552 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 53 5.713 0.153 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.696 -1.794 -3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.071 -0.884 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.158 0.355 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.857 1.242 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.721 1.324 -3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.006 -0.320 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.322 -0.925 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.546 0.646 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.029 -1.100 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.292 -0.064 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.043 -1.586 -3.919 1.00 0.00 H new ATOM 815 N VAL A 54 7.809 -2.286 -4.780 1.00 0.00 N ATOM 816 CA VAL A 54 9.204 -2.699 -4.891 1.00 0.00 C ATOM 817 C VAL A 54 9.749 -2.202 -6.237 1.00 0.00 C ATOM 818 O VAL A 54 8.987 -1.907 -7.165 1.00 0.00 O ATOM 819 CB VAL A 54 9.286 -4.243 -4.731 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.718 -4.771 -4.762 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.587 -4.790 -3.468 1.00 0.00 C ATOM 0 H VAL A 54 7.169 -3.074 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 54 9.821 -2.264 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 54 8.744 -4.610 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.709 -5.855 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.181 -4.512 -5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.288 -4.324 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.692 -5.874 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.045 -4.353 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.529 -4.529 -3.496 1.00 0.00 H new ATOM 831 N LYS A 55 11.071 -2.079 -6.363 1.00 0.00 N ATOM 832 CA LYS A 55 11.755 -1.688 -7.596 1.00 0.00 C ATOM 833 C LYS A 55 12.197 -2.936 -8.362 1.00 0.00 C ATOM 834 O LYS A 55 11.785 -4.047 -8.034 1.00 0.00 O ATOM 835 CB LYS A 55 12.927 -0.766 -7.221 1.00 0.00 C ATOM 836 CG LYS A 55 12.467 0.517 -6.513 1.00 0.00 C ATOM 837 CD LYS A 55 11.691 1.494 -7.396 1.00 0.00 C ATOM 838 CE LYS A 55 12.655 2.170 -8.372 1.00 0.00 C ATOM 839 NZ LYS A 55 12.340 1.944 -9.800 1.00 0.00 N ATOM 0 H LYS A 55 11.713 -2.253 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 55 11.091 -1.138 -8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.617 -1.307 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.479 -0.501 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.842 0.242 -5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.343 1.028 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.911 0.965 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.195 2.244 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.656 3.243 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.665 1.810 -8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.040 2.435 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.368 0.925 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.390 2.313 -10.009 1.00 0.00 H new ATOM 853 N GLY A 56 13.003 -2.750 -9.405 1.00 0.00 N ATOM 854 CA GLY A 56 13.642 -3.766 -10.217 1.00 0.00 C ATOM 855 C GLY A 56 14.461 -4.696 -9.337 1.00 0.00 C ATOM 856 O GLY A 56 15.589 -4.381 -8.958 1.00 0.00 O ATOM 0 H GLY A 56 13.240 -1.810 -9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.888 -4.336 -10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.285 -3.297 -10.962 1.00 0.00 H new ATOM 860 N MET A 57 13.838 -5.803 -8.970 1.00 0.00 N ATOM 861 CA MET A 57 14.376 -6.848 -8.124 1.00 0.00 C ATOM 862 C MET A 57 15.521 -7.538 -8.873 1.00 0.00 C ATOM 863 O MET A 57 15.455 -7.711 -10.098 1.00 0.00 O ATOM 864 CB MET A 57 13.203 -7.782 -7.768 1.00 0.00 C ATOM 865 CG MET A 57 13.576 -8.965 -6.871 1.00 0.00 C ATOM 866 SD MET A 57 12.262 -10.188 -6.554 1.00 0.00 S ATOM 867 CE MET A 57 11.094 -9.319 -5.479 1.00 0.00 C ATOM 0 H MET A 57 12.886 -6.006 -9.275 1.00 0.00 H new ATOM 0 HA MET A 57 14.803 -6.477 -7.192 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.429 -7.197 -7.271 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.769 -8.166 -8.691 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.423 -9.482 -7.322 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.916 -8.573 -5.913 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.164 -9.884 -5.420 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.522 -9.220 -4.481 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.892 -8.329 -5.887 1.00 0.00 H new ATOM 877 N VAL A 58 16.571 -7.919 -8.144 1.00 0.00 N ATOM 878 CA VAL A 58 17.787 -8.514 -8.685 1.00 0.00 C ATOM 879 C VAL A 58 18.238 -9.653 -7.766 1.00 0.00 C ATOM 880 O VAL A 58 18.099 -9.583 -6.547 1.00 0.00 O ATOM 881 CB VAL A 58 18.887 -7.440 -8.877 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.552 -6.499 -10.045 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.168 -6.584 -7.629 1.00 0.00 C ATOM 0 H VAL A 58 16.596 -7.817 -7.129 1.00 0.00 H new ATOM 0 HA VAL A 58 17.588 -8.931 -9.672 1.00 0.00 H new ATOM 0 HB VAL A 58 19.789 -8.015 -9.088 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.343 -5.757 -10.153 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.468 -7.077 -10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.607 -5.994 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.951 -5.859 -7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.259 -6.058 -7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.493 -7.228 -6.812 1.00 0.00 H new ATOM 893 N PHE A 59 18.738 -10.734 -8.360 1.00 0.00 N ATOM 894 CA PHE A 59 19.224 -11.915 -7.653 1.00 0.00 C ATOM 895 C PHE A 59 20.507 -11.643 -6.861 1.00 0.00 C ATOM 896 O PHE A 59 21.168 -10.622 -7.046 1.00 0.00 O ATOM 897 CB PHE A 59 19.457 -13.036 -8.671 1.00 0.00 C ATOM 898 CG PHE A 59 18.295 -13.984 -8.812 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.248 -13.698 -9.704 1.00 0.00 C ATOM 900 CD2 PHE A 59 18.277 -15.177 -8.073 1.00 0.00 C ATOM 901 CE1 PHE A 59 16.210 -14.621 -9.888 1.00 0.00 C ATOM 902 CE2 PHE A 59 17.242 -16.103 -8.270 1.00 0.00 C ATOM 903 CZ PHE A 59 16.209 -15.835 -9.188 1.00 0.00 C ATOM 0 H PHE A 59 18.818 -10.814 -9.374 1.00 0.00 H new ATOM 0 HA PHE A 59 18.468 -12.209 -6.925 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.671 -12.592 -9.643 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.341 -13.602 -8.378 1.00 0.00 H new ATOM 0 HD1 PHE A 59 17.243 -12.765 -10.249 1.00 0.00 H new ATOM 0 HD2 PHE A 59 19.057 -15.381 -7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.406 -14.396 -10.573 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.238 -17.028 -7.713 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.423 -16.558 -9.351 1.00 0.00 H new ATOM 913 N LEU A 60 20.880 -12.606 -6.010 1.00 0.00 N ATOM 914 CA LEU A 60 22.130 -12.606 -5.261 1.00 0.00 C ATOM 915 C LEU A 60 23.074 -13.683 -5.786 1.00 0.00 C ATOM 916 O LEU A 60 22.661 -14.748 -6.272 1.00 0.00 O ATOM 917 CB LEU A 60 21.868 -12.842 -3.764 1.00 0.00 C ATOM 918 CG LEU A 60 21.085 -11.709 -3.076 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.694 -12.094 -1.646 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.925 -10.440 -3.034 1.00 0.00 C ATOM 0 H LEU A 60 20.302 -13.425 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 60 22.595 -11.629 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.316 -13.774 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.823 -12.970 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 60 20.178 -11.536 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.142 -11.274 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.067 -12.986 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.594 -12.297 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.360 -9.646 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.842 -10.629 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.174 -10.135 -4.050 1.00 0.00 H new ATOM 932 N LYS A 61 24.370 -13.430 -5.601 1.00 0.00 N ATOM 933 CA LYS A 61 25.423 -14.403 -5.862 1.00 0.00 C ATOM 934 C LYS A 61 25.267 -15.517 -4.841 1.00 0.00 C ATOM 935 O LYS A 61 25.266 -15.254 -3.638 1.00 0.00 O ATOM 936 CB LYS A 61 26.816 -13.757 -5.774 1.00 0.00 C ATOM 937 CG LYS A 61 27.740 -14.140 -6.942 1.00 0.00 C ATOM 938 CD LYS A 61 28.164 -15.614 -7.089 1.00 0.00 C ATOM 939 CE LYS A 61 28.915 -16.125 -5.850 1.00 0.00 C ATOM 940 NZ LYS A 61 29.873 -17.210 -6.156 1.00 0.00 N ATOM 0 H LYS A 61 24.718 -12.533 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 61 25.333 -14.798 -6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.705 -12.673 -5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.287 -14.052 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.246 -13.843 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.647 -13.541 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.281 -16.230 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 61 28.800 -15.722 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 61 29.451 -15.295 -5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.192 -16.483 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.347 -17.511 -5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.363 -18.017 -6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.583 -16.865 -6.833 1.00 0.00 H new ATOM 954 N GLY A 62 25.121 -16.745 -5.323 1.00 0.00 N ATOM 955 CA GLY A 62 24.895 -17.922 -4.499 1.00 0.00 C ATOM 956 C GLY A 62 23.627 -18.645 -4.916 1.00 0.00 C ATOM 957 O GLY A 62 23.535 -19.842 -4.653 1.00 0.00 O ATOM 0 H GLY A 62 25.158 -16.953 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.747 -18.597 -4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.822 -17.628 -3.452 1.00 0.00 H new ATOM 961 N LYS A 63 22.701 -17.963 -5.616 1.00 0.00 N ATOM 962 CA LYS A 63 21.511 -18.529 -6.274 1.00 0.00 C ATOM 963 C LYS A 63 20.399 -18.895 -5.282 1.00 0.00 C ATOM 964 O LYS A 63 19.358 -19.398 -5.701 1.00 0.00 O ATOM 965 CB LYS A 63 21.947 -19.734 -7.136 1.00 0.00 C ATOM 966 CG LYS A 63 21.179 -19.940 -8.445 1.00 0.00 C ATOM 967 CD LYS A 63 21.803 -21.099 -9.244 1.00 0.00 C ATOM 968 CE LYS A 63 22.431 -20.724 -10.591 1.00 0.00 C ATOM 969 NZ LYS A 63 21.482 -20.033 -11.485 1.00 0.00 N ATOM 0 H LYS A 63 22.767 -16.953 -5.744 1.00 0.00 H new ATOM 0 HA LYS A 63 21.072 -17.766 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 63 23.005 -19.621 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.850 -20.638 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 63 20.132 -20.156 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 63 21.201 -19.025 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.569 -21.569 -8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.032 -21.849 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.296 -20.083 -10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 63 22.796 -21.626 -11.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.835 -20.072 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.554 -20.499 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.387 -19.040 -11.190 1.00 0.00 H new ATOM 983 N LEU A 64 20.589 -18.614 -3.987 1.00 0.00 N ATOM 984 CA LEU A 64 19.673 -18.993 -2.906 1.00 0.00 C ATOM 985 C LEU A 64 18.901 -17.778 -2.368 1.00 0.00 C ATOM 986 O LEU A 64 18.222 -17.902 -1.344 1.00 0.00 O ATOM 987 CB LEU A 64 20.422 -19.674 -1.740 1.00 0.00 C ATOM 988 CG LEU A 64 21.402 -20.807 -2.126 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.726 -20.654 -1.371 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.807 -22.188 -1.850 1.00 0.00 C ATOM 0 H LEU A 64 21.406 -18.103 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 64 18.965 -19.702 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 64 20.979 -18.910 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.683 -20.081 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 64 21.586 -20.725 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.402 -21.460 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.179 -19.695 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 64 22.540 -20.698 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.525 -22.957 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 64 20.578 -22.280 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.893 -22.313 -2.431 1.00 0.00 H new ATOM 1002 N GLY A 65 18.996 -16.607 -3.006 1.00 0.00 N ATOM 1003 CA GLY A 65 18.394 -15.388 -2.500 1.00 0.00 C ATOM 1004 C GLY A 65 18.319 -14.289 -3.556 1.00 0.00 C ATOM 1005 O GLY A 65 18.815 -14.445 -4.678 1.00 0.00 O ATOM 0 H GLY A 65 19.495 -16.487 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.390 -15.607 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 65 18.971 -15.029 -1.647 1.00 0.00 H new ATOM 1009 N VAL A 66 17.694 -13.178 -3.176 1.00 0.00 N ATOM 1010 CA VAL A 66 17.397 -12.021 -4.006 1.00 0.00 C ATOM 1011 C VAL A 66 17.474 -10.767 -3.118 1.00 0.00 C ATOM 1012 O VAL A 66 17.477 -10.864 -1.885 1.00 0.00 O ATOM 1013 CB VAL A 66 16.015 -12.269 -4.659 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.834 -12.153 -3.687 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.715 -11.398 -5.871 1.00 0.00 C ATOM 0 H VAL A 66 17.362 -13.057 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 66 18.109 -11.864 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 66 16.110 -13.303 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.903 -12.340 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.947 -12.886 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.812 -11.150 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.727 -11.643 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.740 -10.348 -5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.463 -11.578 -6.643 1.00 0.00 H new ATOM 1025 N CYS A 67 17.523 -9.584 -3.721 1.00 0.00 N ATOM 1026 CA CYS A 67 17.447 -8.306 -3.035 1.00 0.00 C ATOM 1027 C CYS A 67 16.717 -7.301 -3.927 1.00 0.00 C ATOM 1028 O CYS A 67 16.475 -7.554 -5.114 1.00 0.00 O ATOM 1029 CB CYS A 67 18.857 -7.830 -2.665 1.00 0.00 C ATOM 1030 SG CYS A 67 19.964 -7.924 -4.095 1.00 0.00 S ATOM 0 H CYS A 67 17.620 -9.489 -4.732 1.00 0.00 H new ATOM 0 HA CYS A 67 16.884 -8.406 -2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.815 -6.804 -2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.251 -8.442 -1.854 1.00 0.00 H new ATOM 0 HG CYS A 67 19.360 -8.532 -5.072 1.00 0.00 H new ATOM 1036 N PHE A 68 16.340 -6.164 -3.346 1.00 0.00 N ATOM 1037 CA PHE A 68 15.675 -5.084 -4.066 1.00 0.00 C ATOM 1038 C PHE A 68 15.655 -3.802 -3.241 1.00 0.00 C ATOM 1039 O PHE A 68 15.664 -3.850 -2.007 1.00 0.00 O ATOM 1040 CB PHE A 68 14.236 -5.489 -4.401 1.00 0.00 C ATOM 1041 CG PHE A 68 13.443 -6.093 -3.259 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.809 -5.260 -2.323 1.00 0.00 C ATOM 1043 CD2 PHE A 68 13.282 -7.488 -3.176 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.905 -5.797 -1.394 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.389 -8.029 -2.238 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.662 -7.180 -1.391 1.00 0.00 C ATOM 0 H PHE A 68 16.489 -5.966 -2.356 1.00 0.00 H new ATOM 0 HA PHE A 68 16.233 -4.900 -4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.705 -4.609 -4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.261 -6.206 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.018 -4.200 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.842 -8.139 -3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.401 -5.153 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.262 -9.099 -2.169 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.911 -7.592 -0.733 1.00 0.00 H new ATOM 1056 N ASP A 69 15.561 -2.666 -3.933 1.00 0.00 N ATOM 1057 CA ASP A 69 15.232 -1.371 -3.350 1.00 0.00 C ATOM 1058 C ASP A 69 13.728 -1.362 -3.049 1.00 0.00 C ATOM 1059 O ASP A 69 12.917 -1.840 -3.858 1.00 0.00 O ATOM 1060 CB ASP A 69 15.468 -0.179 -4.307 1.00 0.00 C ATOM 1061 CG ASP A 69 16.721 -0.149 -5.168 1.00 0.00 C ATOM 1062 OD1 ASP A 69 16.905 -1.085 -5.986 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.427 0.887 -5.107 1.00 0.00 O ATOM 0 H ASP A 69 15.716 -2.623 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 69 15.872 -1.252 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.610 -0.122 -4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.463 0.730 -3.705 1.00 0.00 H new ATOM 1068 N VAL A 70 13.337 -0.716 -1.954 1.00 0.00 N ATOM 1069 CA VAL A 70 11.963 -0.325 -1.637 1.00 0.00 C ATOM 1070 C VAL A 70 11.941 1.078 -1.010 1.00 0.00 C ATOM 1071 O VAL A 70 12.930 1.495 -0.398 1.00 0.00 O ATOM 1072 CB VAL A 70 11.265 -1.370 -0.729 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.415 -2.350 -1.535 1.00 0.00 C ATOM 1074 CG2 VAL A 70 12.248 -2.248 0.070 1.00 0.00 C ATOM 0 H VAL A 70 13.998 -0.437 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 70 11.395 -0.291 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 70 10.663 -0.761 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.944 -3.064 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.645 -1.802 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.048 -2.884 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.689 -2.955 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.891 -2.795 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.860 -1.616 0.713 1.00 0.00 H new ATOM 1084 N PRO A 71 10.837 1.834 -1.155 1.00 0.00 N ATOM 1085 CA PRO A 71 10.710 3.127 -0.505 1.00 0.00 C ATOM 1086 C PRO A 71 10.682 2.898 0.995 1.00 0.00 C ATOM 1087 O PRO A 71 9.866 2.109 1.467 1.00 0.00 O ATOM 1088 CB PRO A 71 9.401 3.738 -0.998 1.00 0.00 C ATOM 1089 CG PRO A 71 8.582 2.545 -1.495 1.00 0.00 C ATOM 1090 CD PRO A 71 9.624 1.502 -1.892 1.00 0.00 C ATOM 0 HA PRO A 71 11.537 3.799 -0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.884 4.268 -0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.576 4.459 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.919 2.167 -0.716 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.954 2.821 -2.342 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.282 0.497 -1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.804 1.522 -2.967 1.00 0.00 H new ATOM 1098 N THR A 72 11.537 3.591 1.742 1.00 0.00 N ATOM 1099 CA THR A 72 11.669 3.511 3.195 1.00 0.00 C ATOM 1100 C THR A 72 10.297 3.574 3.886 1.00 0.00 C ATOM 1101 O THR A 72 10.040 2.809 4.817 1.00 0.00 O ATOM 1102 CB THR A 72 12.595 4.666 3.579 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.798 4.519 2.869 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.873 4.853 5.068 1.00 0.00 C ATOM 0 H THR A 72 12.190 4.258 1.330 1.00 0.00 H new ATOM 0 HA THR A 72 12.090 2.561 3.523 1.00 0.00 H new ATOM 0 HB THR A 72 12.060 5.576 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.189 5.402 2.701 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.541 5.702 5.209 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.936 5.037 5.593 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.341 3.953 5.467 1.00 0.00 H new ATOM 1112 N ALA A 73 9.391 4.402 3.348 1.00 0.00 N ATOM 1113 CA ALA A 73 8.009 4.544 3.785 1.00 0.00 C ATOM 1114 C ALA A 73 7.331 3.186 3.938 1.00 0.00 C ATOM 1115 O ALA A 73 6.647 2.935 4.932 1.00 0.00 O ATOM 1116 CB ALA A 73 7.266 5.408 2.761 1.00 0.00 C ATOM 0 H ALA A 73 9.618 5.014 2.564 1.00 0.00 H new ATOM 0 HA ALA A 73 7.987 5.022 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.228 5.527 3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.740 6.387 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.301 4.925 1.784 1.00 0.00 H new ATOM 1122 N SER A 74 7.537 2.310 2.956 1.00 0.00 N ATOM 1123 CA SER A 74 6.963 0.984 2.933 1.00 0.00 C ATOM 1124 C SER A 74 7.919 -0.080 3.479 1.00 0.00 C ATOM 1125 O SER A 74 7.421 -1.114 3.914 1.00 0.00 O ATOM 1126 CB SER A 74 6.478 0.660 1.519 1.00 0.00 C ATOM 1127 OG SER A 74 5.747 1.741 0.946 1.00 0.00 O ATOM 0 H SER A 74 8.119 2.515 2.144 1.00 0.00 H new ATOM 0 HA SER A 74 6.105 0.971 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.334 0.425 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.849 -0.230 1.546 1.00 0.00 H new ATOM 0 HG SER A 74 5.456 1.497 0.043 1.00 0.00 H new ATOM 1133 N VAL A 75 9.241 0.151 3.564 1.00 0.00 N ATOM 1134 CA VAL A 75 10.165 -0.720 4.310 1.00 0.00 C ATOM 1135 C VAL A 75 9.676 -0.897 5.741 1.00 0.00 C ATOM 1136 O VAL A 75 9.843 -1.981 6.308 1.00 0.00 O ATOM 1137 CB VAL A 75 11.638 -0.253 4.198 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.626 -1.254 4.818 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.026 -0.168 2.719 1.00 0.00 C ATOM 0 H VAL A 75 9.698 0.946 3.118 1.00 0.00 H new ATOM 0 HA VAL A 75 10.162 -1.708 3.851 1.00 0.00 H new ATOM 0 HB VAL A 75 11.696 0.702 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.643 -0.876 4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.397 -1.384 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.540 -2.213 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.062 0.160 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.917 -1.149 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.376 0.546 2.213 1.00 0.00 H new ATOM 1149 N THR A 76 9.002 0.109 6.299 1.00 0.00 N ATOM 1150 CA THR A 76 8.363 -0.044 7.584 1.00 0.00 C ATOM 1151 C THR A 76 7.234 -1.076 7.507 1.00 0.00 C ATOM 1152 O THR A 76 7.301 -2.085 8.209 1.00 0.00 O ATOM 1153 CB THR A 76 7.939 1.341 8.094 1.00 0.00 C ATOM 1154 OG1 THR A 76 9.108 2.121 8.302 1.00 0.00 O ATOM 1155 CG2 THR A 76 7.206 1.272 9.430 1.00 0.00 C ATOM 0 H THR A 76 8.891 1.030 5.875 1.00 0.00 H new ATOM 0 HA THR A 76 9.055 -0.449 8.322 1.00 0.00 H new ATOM 0 HB THR A 76 7.271 1.771 7.348 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.074 2.919 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.929 2.278 9.745 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.307 0.665 9.321 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.858 0.824 10.180 1.00 0.00 H new ATOM 1163 N GLU A 77 6.251 -0.858 6.630 1.00 0.00 N ATOM 1164 CA GLU A 77 5.069 -1.706 6.464 1.00 0.00 C ATOM 1165 C GLU A 77 5.464 -3.169 6.236 1.00 0.00 C ATOM 1166 O GLU A 77 4.843 -4.084 6.775 1.00 0.00 O ATOM 1167 CB GLU A 77 4.252 -1.209 5.253 1.00 0.00 C ATOM 1168 CG GLU A 77 2.761 -1.600 5.303 1.00 0.00 C ATOM 1169 CD GLU A 77 1.865 -0.676 6.130 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.294 0.452 6.462 1.00 0.00 O ATOM 1171 OE2 GLU A 77 0.691 -1.071 6.352 1.00 0.00 O ATOM 0 H GLU A 77 6.257 -0.060 5.995 1.00 0.00 H new ATOM 0 HA GLU A 77 4.474 -1.647 7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.331 -0.123 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.693 -1.610 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.377 -1.632 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.682 -2.610 5.705 1.00 0.00 H new ATOM 1178 N ILE A 78 6.505 -3.394 5.431 1.00 0.00 N ATOM 1179 CA ILE A 78 6.988 -4.720 5.093 1.00 0.00 C ATOM 1180 C ILE A 78 7.465 -5.426 6.356 1.00 0.00 C ATOM 1181 O ILE A 78 6.965 -6.501 6.671 1.00 0.00 O ATOM 1182 CB ILE A 78 8.113 -4.653 4.041 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.616 -4.102 2.687 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.694 -6.057 3.831 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.736 -3.362 1.953 1.00 0.00 C ATOM 0 H ILE A 78 7.039 -2.644 4.993 1.00 0.00 H new ATOM 0 HA ILE A 78 6.169 -5.290 4.655 1.00 0.00 H new ATOM 0 HB ILE A 78 8.876 -3.971 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.251 -4.922 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.776 -3.427 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.490 -6.014 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.097 -6.429 4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.908 -6.728 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.360 -2.984 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.082 -2.528 2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.565 -4.046 1.769 1.00 0.00 H new ATOM 1197 N GLN A 79 8.457 -4.866 7.052 1.00 0.00 N ATOM 1198 CA GLN A 79 9.071 -5.542 8.191 1.00 0.00 C ATOM 1199 C GLN A 79 8.098 -5.693 9.357 1.00 0.00 C ATOM 1200 O GLN A 79 8.294 -6.534 10.236 1.00 0.00 O ATOM 1201 CB GLN A 79 10.317 -4.766 8.622 1.00 0.00 C ATOM 1202 CG GLN A 79 11.404 -4.865 7.543 1.00 0.00 C ATOM 1203 CD GLN A 79 12.796 -4.868 8.160 1.00 0.00 C ATOM 1204 OE1 GLN A 79 13.107 -4.055 9.026 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.658 -5.785 7.753 1.00 0.00 N ATOM 0 H GLN A 79 8.850 -3.948 6.845 1.00 0.00 H new ATOM 0 HA GLN A 79 9.353 -6.549 7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.061 -3.721 8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.693 -5.163 9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.260 -5.775 6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.312 -4.027 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.388 -6.455 7.033 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.593 -5.822 8.159 1.00 0.00 H new ATOM 1214 N GLU A 80 7.058 -4.869 9.389 1.00 0.00 N ATOM 1215 CA GLU A 80 5.973 -4.918 10.313 1.00 0.00 C ATOM 1216 C GLU A 80 5.141 -6.152 9.950 1.00 0.00 C ATOM 1217 O GLU A 80 5.022 -7.058 10.779 1.00 0.00 O ATOM 1218 CB GLU A 80 5.287 -3.548 10.208 1.00 0.00 C ATOM 1219 CG GLU A 80 3.940 -3.488 10.901 1.00 0.00 C ATOM 1220 CD GLU A 80 3.704 -2.184 11.679 1.00 0.00 C ATOM 1221 OE1 GLU A 80 4.347 -1.978 12.739 1.00 0.00 O ATOM 1222 OE2 GLU A 80 2.850 -1.369 11.269 1.00 0.00 O ATOM 0 H GLU A 80 6.960 -4.106 8.720 1.00 0.00 H new ATOM 0 HA GLU A 80 6.226 -5.051 11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.941 -2.790 10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.156 -3.296 9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.153 -3.604 10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.856 -4.331 11.587 1.00 0.00 H new ATOM 1229 N LYS A 81 4.625 -6.249 8.721 1.00 0.00 N ATOM 1230 CA LYS A 81 3.703 -7.323 8.323 1.00 0.00 C ATOM 1231 C LYS A 81 4.378 -8.691 8.123 1.00 0.00 C ATOM 1232 O LYS A 81 3.681 -9.707 8.142 1.00 0.00 O ATOM 1233 CB LYS A 81 2.945 -6.889 7.057 1.00 0.00 C ATOM 1234 CG LYS A 81 1.805 -5.893 7.382 1.00 0.00 C ATOM 1235 CD LYS A 81 0.398 -6.418 7.052 1.00 0.00 C ATOM 1236 CE LYS A 81 0.067 -7.701 7.820 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.286 -8.230 7.521 1.00 0.00 N ATOM 0 H LYS A 81 4.833 -5.587 7.973 1.00 0.00 H new ATOM 0 HA LYS A 81 3.009 -7.473 9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.641 -6.428 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.530 -7.767 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.848 -5.642 8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.975 -4.970 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.340 -5.652 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.324 -6.608 5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.809 -8.462 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.146 -7.507 8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.449 -9.097 8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.001 -7.519 7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.358 -8.445 6.506 1.00 0.00 H new ATOM 1251 N TRP A 82 5.692 -8.740 7.905 1.00 0.00 N ATOM 1252 CA TRP A 82 6.472 -9.957 7.723 1.00 0.00 C ATOM 1253 C TRP A 82 6.758 -10.598 9.095 1.00 0.00 C ATOM 1254 O TRP A 82 7.224 -9.887 9.991 1.00 0.00 O ATOM 1255 CB TRP A 82 7.764 -9.590 6.992 1.00 0.00 C ATOM 1256 CG TRP A 82 8.580 -10.798 6.694 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.461 -11.352 7.549 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.513 -11.693 5.547 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.958 -12.519 7.015 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.395 -12.791 5.780 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.806 -11.675 4.326 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.577 -13.812 4.833 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.982 -12.697 3.376 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.875 -13.749 3.610 1.00 0.00 C ATOM 0 H TRP A 82 6.262 -7.896 7.849 1.00 0.00 H new ATOM 0 HA TRP A 82 5.924 -10.687 7.128 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.524 -9.073 6.063 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.345 -8.898 7.602 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.736 -10.942 8.510 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.653 -13.109 7.472 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.121 -10.866 4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.246 -14.635 5.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.421 -12.670 2.454 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.026 -14.509 2.858 1.00 0.00 H new ATOM 1275 N HIS A 83 6.576 -11.919 9.258 1.00 0.00 N ATOM 1276 CA HIS A 83 6.803 -12.664 10.506 1.00 0.00 C ATOM 1277 C HIS A 83 7.802 -13.837 10.396 1.00 0.00 C ATOM 1278 O HIS A 83 8.081 -14.506 11.389 1.00 0.00 O ATOM 1279 CB HIS A 83 5.452 -13.114 11.090 1.00 0.00 C ATOM 1280 CG HIS A 83 5.456 -13.316 12.587 1.00 0.00 C ATOM 1281 ND1 HIS A 83 6.083 -14.323 13.282 1.00 0.00 N ATOM 1282 CD2 HIS A 83 4.856 -12.501 13.502 1.00 0.00 C ATOM 1283 CE1 HIS A 83 5.856 -14.118 14.591 1.00 0.00 C ATOM 1284 NE2 HIS A 83 5.127 -13.005 14.781 1.00 0.00 N ATOM 0 H HIS A 83 6.255 -12.518 8.497 1.00 0.00 H new ATOM 0 HA HIS A 83 7.292 -11.972 11.191 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.695 -12.371 10.838 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.155 -14.047 10.610 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.623 -15.088 12.877 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.273 -11.620 13.279 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.211 -14.761 15.383 1.00 0.00 H new ATOM 1292 N ASP A 84 8.396 -14.037 9.226 1.00 0.00 N ATOM 1293 CA ASP A 84 9.170 -15.180 8.732 1.00 0.00 C ATOM 1294 C ASP A 84 8.259 -16.365 8.427 1.00 0.00 C ATOM 1295 O ASP A 84 7.076 -16.384 8.774 1.00 0.00 O ATOM 1296 CB ASP A 84 10.402 -15.551 9.591 1.00 0.00 C ATOM 1297 CG ASP A 84 10.481 -16.943 10.251 1.00 0.00 C ATOM 1298 OD1 ASP A 84 9.530 -17.451 10.892 1.00 0.00 O ATOM 1299 OD2 ASP A 84 11.582 -17.536 10.146 1.00 0.00 O ATOM 0 H ASP A 84 8.342 -13.314 8.509 1.00 0.00 H new ATOM 0 HA ASP A 84 9.617 -14.858 7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.284 -15.439 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.481 -14.809 10.385 1.00 0.00 H new ATOM 1304 N SER A 85 8.810 -17.336 7.706 1.00 0.00 N ATOM 1305 CA SER A 85 8.177 -18.604 7.402 1.00 0.00 C ATOM 1306 C SER A 85 9.259 -19.671 7.536 1.00 0.00 C ATOM 1307 O SER A 85 10.451 -19.364 7.461 1.00 0.00 O ATOM 1308 CB SER A 85 7.584 -18.539 5.989 1.00 0.00 C ATOM 1309 OG SER A 85 6.716 -19.627 5.761 1.00 0.00 O ATOM 0 H SER A 85 9.744 -17.253 7.305 1.00 0.00 H new ATOM 0 HA SER A 85 7.355 -18.840 8.077 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.042 -17.602 5.860 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.387 -18.547 5.252 1.00 0.00 H new ATOM 0 HG SER A 85 6.416 -19.616 4.828 1.00 0.00 H new ATOM 1315 N ARG A 86 8.863 -20.943 7.634 1.00 0.00 N ATOM 1316 CA ARG A 86 9.765 -22.066 7.905 1.00 0.00 C ATOM 1317 C ARG A 86 10.925 -22.228 6.927 1.00 0.00 C ATOM 1318 O ARG A 86 11.827 -23.000 7.247 1.00 0.00 O ATOM 1319 CB ARG A 86 8.955 -23.371 7.972 1.00 0.00 C ATOM 1320 CG ARG A 86 8.294 -23.549 9.346 1.00 0.00 C ATOM 1321 CD ARG A 86 9.155 -24.403 10.279 1.00 0.00 C ATOM 1322 NE ARG A 86 9.173 -25.795 9.800 1.00 0.00 N ATOM 1323 CZ ARG A 86 9.940 -26.797 10.228 1.00 0.00 C ATOM 1324 NH1 ARG A 86 10.799 -26.634 11.226 1.00 0.00 N ATOM 1325 NH2 ARG A 86 9.813 -27.971 9.623 1.00 0.00 N ATOM 0 H ARG A 86 7.889 -21.226 7.525 1.00 0.00 H new ATOM 0 HA ARG A 86 10.232 -21.835 8.862 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.190 -23.366 7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.610 -24.218 7.769 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.125 -22.572 9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.317 -24.016 9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.170 -24.008 10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.759 -24.362 11.294 1.00 0.00 H new ATOM 0 HE ARG A 86 8.519 -26.020 9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.883 -25.726 11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.375 -27.416 11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.146 -28.082 8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.382 -28.763 9.922 1.00 0.00 H new ATOM 1339 N ARG A 87 10.956 -21.535 5.786 1.00 0.00 N ATOM 1340 CA ARG A 87 12.081 -21.564 4.851 1.00 0.00 C ATOM 1341 C ARG A 87 12.547 -20.155 4.450 1.00 0.00 C ATOM 1342 O ARG A 87 13.345 -20.036 3.524 1.00 0.00 O ATOM 1343 CB ARG A 87 11.682 -22.427 3.640 1.00 0.00 C ATOM 1344 CG ARG A 87 12.909 -23.047 2.955 1.00 0.00 C ATOM 1345 CD ARG A 87 12.504 -23.909 1.759 1.00 0.00 C ATOM 1346 NE ARG A 87 12.915 -25.307 1.939 1.00 0.00 N ATOM 1347 CZ ARG A 87 12.114 -26.376 1.968 1.00 0.00 C ATOM 1348 NH1 ARG A 87 10.789 -26.269 1.935 1.00 0.00 N ATOM 1349 NH2 ARG A 87 12.664 -27.583 2.040 1.00 0.00 N ATOM 0 H ARG A 87 10.192 -20.932 5.483 1.00 0.00 H new ATOM 0 HA ARG A 87 12.946 -22.013 5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.007 -23.219 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.135 -21.816 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.581 -22.256 2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.460 -23.654 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.423 -23.861 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.957 -23.510 0.851 1.00 0.00 H new ATOM 0 HE ARG A 87 13.914 -25.480 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.353 -25.348 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.209 -27.108 1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.679 -27.680 2.072 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.071 -28.413 2.063 1.00 0.00 H new ATOM 1363 N TRP A 88 12.047 -19.090 5.082 1.00 0.00 N ATOM 1364 CA TRP A 88 12.172 -17.732 4.571 1.00 0.00 C ATOM 1365 C TRP A 88 12.497 -16.767 5.686 1.00 0.00 C ATOM 1366 O TRP A 88 11.662 -16.526 6.560 1.00 0.00 O ATOM 1367 CB TRP A 88 10.862 -17.304 3.917 1.00 0.00 C ATOM 1368 CG TRP A 88 10.567 -17.990 2.638 1.00 0.00 C ATOM 1369 CD1 TRP A 88 9.922 -19.159 2.473 1.00 0.00 C ATOM 1370 CD2 TRP A 88 10.916 -17.537 1.309 1.00 0.00 C ATOM 1371 NE1 TRP A 88 9.861 -19.456 1.133 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.500 -18.506 0.365 1.00 0.00 C ATOM 1373 CE3 TRP A 88 11.526 -16.373 0.827 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 10.742 -18.347 -1.006 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 11.811 -16.214 -0.544 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.442 -17.217 -1.459 1.00 0.00 C ATOM 0 H TRP A 88 11.543 -19.151 5.966 1.00 0.00 H new ATOM 0 HA TRP A 88 12.980 -17.718 3.839 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.044 -17.490 4.613 1.00 0.00 H new ATOM 0 HB3 TRP A 88 10.892 -16.229 3.741 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.516 -19.767 3.268 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.398 -20.281 0.752 1.00 0.00 H new ATOM 0 HE3 TRP A 88 11.783 -15.583 1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.393 -19.088 -1.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.312 -15.323 -0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 88 11.696 -17.118 -2.504 1.00 0.00 H new ATOM 1387 N GLN A 89 13.677 -16.157 5.615 1.00 0.00 N ATOM 1388 CA GLN A 89 14.058 -15.130 6.561 1.00 0.00 C ATOM 1389 C GLN A 89 14.394 -13.875 5.773 1.00 0.00 C ATOM 1390 O GLN A 89 15.217 -13.886 4.851 1.00 0.00 O ATOM 1391 CB GLN A 89 15.191 -15.602 7.475 1.00 0.00 C ATOM 1392 CG GLN A 89 14.746 -16.713 8.432 1.00 0.00 C ATOM 1393 CD GLN A 89 14.506 -18.080 7.808 1.00 0.00 C ATOM 1394 OE1 GLN A 89 15.210 -18.514 6.890 1.00 0.00 O ATOM 1395 NE2 GLN A 89 13.493 -18.768 8.304 1.00 0.00 N ATOM 0 H GLN A 89 14.383 -16.362 4.908 1.00 0.00 H new ATOM 0 HA GLN A 89 13.235 -14.904 7.239 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.020 -15.962 6.865 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.564 -14.756 8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.503 -16.819 9.209 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.827 -16.394 8.923 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.934 -18.377 9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.270 -19.690 7.929 1.00 0.00 H new ATOM 1404 N LEU A 90 13.681 -12.810 6.113 1.00 0.00 N ATOM 1405 CA LEU A 90 13.912 -11.464 5.620 1.00 0.00 C ATOM 1406 C LEU A 90 15.099 -10.865 6.331 1.00 0.00 C ATOM 1407 O LEU A 90 15.676 -11.465 7.236 1.00 0.00 O ATOM 1408 CB LEU A 90 12.658 -10.613 5.905 1.00 0.00 C ATOM 1409 CG LEU A 90 11.725 -10.459 4.702 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.795 -9.111 4.008 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.763 -11.603 3.679 1.00 0.00 C ATOM 0 H LEU A 90 12.898 -12.864 6.764 1.00 0.00 H new ATOM 0 HA LEU A 90 14.111 -11.488 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.103 -11.066 6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.971 -9.624 6.238 1.00 0.00 H new ATOM 0 HG LEU A 90 10.750 -10.520 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.099 -9.097 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.528 -8.324 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.808 -8.942 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.064 -11.391 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.771 -11.695 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.481 -12.536 4.166 1.00 0.00 H new ATOM 1423 N SER A 91 15.395 -9.648 5.908 1.00 0.00 N ATOM 1424 CA SER A 91 16.419 -8.771 6.460 1.00 0.00 C ATOM 1425 C SER A 91 16.307 -7.422 5.757 1.00 0.00 C ATOM 1426 O SER A 91 15.470 -7.240 4.867 1.00 0.00 O ATOM 1427 CB SER A 91 17.817 -9.389 6.257 1.00 0.00 C ATOM 1428 OG SER A 91 18.210 -10.062 7.428 1.00 0.00 O ATOM 0 H SER A 91 14.900 -9.219 5.126 1.00 0.00 H new ATOM 0 HA SER A 91 16.275 -8.640 7.533 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.801 -10.082 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.539 -8.609 6.014 1.00 0.00 H new ATOM 0 HG SER A 91 17.517 -10.706 7.683 1.00 0.00 H new ATOM 1434 N VAL A 92 17.157 -6.478 6.145 1.00 0.00 N ATOM 1435 CA VAL A 92 17.326 -5.168 5.546 1.00 0.00 C ATOM 1436 C VAL A 92 18.829 -4.980 5.259 1.00 0.00 C ATOM 1437 O VAL A 92 19.665 -5.786 5.701 1.00 0.00 O ATOM 1438 CB VAL A 92 16.646 -4.130 6.469 1.00 0.00 C ATOM 1439 CG1 VAL A 92 17.268 -4.059 7.870 1.00 0.00 C ATOM 1440 CG2 VAL A 92 16.518 -2.739 5.843 1.00 0.00 C ATOM 0 H VAL A 92 17.784 -6.621 6.937 1.00 0.00 H new ATOM 0 HA VAL A 92 16.836 -5.039 4.581 1.00 0.00 H new ATOM 0 HB VAL A 92 15.631 -4.508 6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.743 -3.311 8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 92 17.184 -5.032 8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 92 18.319 -3.784 7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 92 16.032 -2.066 6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 92 17.509 -2.356 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.921 -2.803 4.933 1.00 0.00 H new ATOM 1450 N ALA A 93 19.181 -3.982 4.448 1.00 0.00 N ATOM 1451 CA ALA A 93 20.558 -3.517 4.311 1.00 0.00 C ATOM 1452 C ALA A 93 21.077 -3.020 5.674 1.00 0.00 C ATOM 1453 O ALA A 93 20.312 -2.893 6.635 1.00 0.00 O ATOM 1454 CB ALA A 93 20.610 -2.435 3.225 1.00 0.00 C ATOM 0 H ALA A 93 18.515 -3.473 3.866 1.00 0.00 H new ATOM 0 HA ALA A 93 21.214 -4.330 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.635 -2.080 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.266 -2.852 2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.966 -1.603 3.510 1.00 0.00 H new ATOM 1460 N THR A 94 22.380 -2.753 5.773 1.00 0.00 N ATOM 1461 CA THR A 94 23.016 -2.286 7.006 1.00 0.00 C ATOM 1462 C THR A 94 23.859 -1.046 6.690 1.00 0.00 C ATOM 1463 O THR A 94 23.508 0.046 7.136 1.00 0.00 O ATOM 1464 CB THR A 94 23.813 -3.413 7.707 1.00 0.00 C ATOM 1465 OG1 THR A 94 23.517 -4.721 7.229 1.00 0.00 O ATOM 1466 CG2 THR A 94 23.568 -3.390 9.214 1.00 0.00 C ATOM 0 H THR A 94 23.029 -2.856 4.993 1.00 0.00 H new ATOM 0 HA THR A 94 22.252 -1.998 7.728 1.00 0.00 H new ATOM 0 HB THR A 94 24.857 -3.205 7.472 1.00 0.00 H new ATOM 0 HG1 THR A 94 24.058 -5.377 7.716 1.00 0.00 H new ATOM 0 HG21 THR A 94 24.137 -4.190 9.687 1.00 0.00 H new ATOM 0 HG22 THR A 94 23.886 -2.429 9.620 1.00 0.00 H new ATOM 0 HG23 THR A 94 22.506 -3.534 9.412 1.00 0.00 H new ATOM 1474 N GLU A 95 24.885 -1.207 5.844 1.00 0.00 N ATOM 1475 CA GLU A 95 25.746 -0.163 5.278 1.00 0.00 C ATOM 1476 C GLU A 95 26.730 0.413 6.293 1.00 0.00 C ATOM 1477 O GLU A 95 27.803 0.878 5.862 1.00 0.00 O ATOM 1478 CB GLU A 95 24.909 0.905 4.531 1.00 0.00 C ATOM 1479 CG GLU A 95 25.595 1.395 3.237 1.00 0.00 C ATOM 1480 CD GLU A 95 24.589 1.741 2.130 1.00 0.00 C ATOM 1481 OE1 GLU A 95 23.874 0.807 1.684 1.00 0.00 O ATOM 1482 OE2 GLU A 95 24.533 2.924 1.715 1.00 0.00 O ATOM 0 H GLU A 95 25.153 -2.135 5.515 1.00 0.00 H new ATOM 0 HA GLU A 95 26.383 -0.632 4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 95 23.932 0.490 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 95 24.737 1.755 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 95 26.200 2.274 3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 95 26.275 0.624 2.876 1.00 0.00 H new TER 1489 GLU A 95