USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 737 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 79 THR OG1 : rot 157:sc= 1.65 USER MOD Set 1.2: A 82 THR OG1 : rot -123:sc= -1.54! USER MOD Set 2.1: A 68 ASN :FLIP amide:sc= -2.54 F(o=-6.5!,f=-2.7) USER MOD Set 2.2: A 78 MET CE :methyl -142:sc= -0.202 (180deg=-0.00192) USER MOD Set 3.1: A 43 CYS SG : rot -49:sc= -0.177 USER MOD Set 3.2: A 87 GLN : amide:sc= 0 X(o=-0.18,f=-0.18) USER MOD Set 4.1: A 18 GLN : amide:sc= -2.72! C(o=-9.2!,f=-10!) USER MOD Set 4.2: A 21 GLN : amide:sc= -6.53! C(o=-9.2!,f=-18!) USER MOD Single : A 9 GLN : amide:sc= -0.0485 K(o=-0.049,f=-2!) USER MOD Single : A 10 SER OG : rot -114:sc= 0.718 USER MOD Single : A 13 TYR OH : rot 180:sc= -1.77 USER MOD Single : A 22 SER OG : rot 102:sc= -3.3! USER MOD Single : A 24 MET CE :methyl -123:sc= -0.335 (180deg=-1.63) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.385 K(o=-0.39,f=-2.9!) USER MOD Single : A 30 ASN : amide:sc= -32.5! C(o=-32!,f=-35!) USER MOD Single : A 42 SER OG : rot 53:sc= 0.931 USER MOD Single : A 47 THR OG1 : rot 59:sc= -3.48! USER MOD Single : A 64 ASN : amide:sc= -0.39 K(o=-0.39,f=-3) USER MOD Single : A 72 GLN :FLIP amide:sc= 1.29 F(o=-0.28,f=1.3) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -84:sc= 0.467 USER MOD Single : A 85 SER OG : rot 150:sc= -1.68! USER MOD Single : A 93 SER OG : rot -97:sc= 0.882 USER MOD Single : A 94 MET CE :methyl 144:sc= -3.58 (180deg=-4.85!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.450 14.024 -5.272 1.00 0.00 N ATOM 2 CA PRO A 1 4.897 14.079 -3.849 1.00 0.00 C ATOM 3 C PRO A 1 6.149 13.279 -3.591 1.00 0.00 C ATOM 4 O PRO A 1 6.884 12.916 -4.505 1.00 0.00 O ATOM 5 CB PRO A 1 3.775 13.485 -3.025 1.00 0.00 C ATOM 6 CG PRO A 1 2.609 13.671 -3.889 1.00 0.00 C ATOM 7 CD PRO A 1 3.136 13.343 -5.255 1.00 0.00 C ATOM 0 H2 PRO A 1 5.120 13.513 -5.847 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.372 14.961 -5.668 1.00 0.00 H new ATOM 0 HA PRO A 1 5.124 15.114 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.950 12.433 -2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.658 13.998 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.789 13.012 -3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.230 14.692 -3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.236 12.268 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.479 13.713 -6.042 1.00 0.00 H new ATOM 17 N ARG A 2 6.339 12.986 -2.317 1.00 0.00 N ATOM 18 CA ARG A 2 7.467 12.182 -1.855 1.00 0.00 C ATOM 19 C ARG A 2 6.908 10.930 -1.209 1.00 0.00 C ATOM 20 O ARG A 2 5.723 10.900 -0.880 1.00 0.00 O ATOM 21 CB ARG A 2 8.322 12.967 -0.858 1.00 0.00 C ATOM 22 CG ARG A 2 9.632 12.281 -0.508 1.00 0.00 C ATOM 23 CD ARG A 2 10.826 13.173 -0.806 1.00 0.00 C ATOM 24 NE ARG A 2 11.316 13.848 0.392 1.00 0.00 N ATOM 25 CZ ARG A 2 12.025 13.244 1.340 1.00 0.00 C ATOM 26 NH1 ARG A 2 12.321 11.955 1.230 1.00 0.00 N ATOM 27 NH2 ARG A 2 12.438 13.926 2.399 1.00 0.00 N ATOM 0 H ARG A 2 5.718 13.297 -1.570 1.00 0.00 H new ATOM 0 HA ARG A 2 8.110 11.920 -2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.537 13.952 -1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.748 13.124 0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.632 12.012 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.720 11.353 -1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.627 12.574 -1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.546 13.916 -1.552 1.00 0.00 H new ATOM 0 HE ARG A 2 11.102 14.839 0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.004 11.427 0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.865 11.493 1.958 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.212 14.917 2.488 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.982 13.460 3.125 1.00 0.00 H new ATOM 41 N VAL A 3 7.699 9.878 -1.044 1.00 0.00 N ATOM 42 CA VAL A 3 7.137 8.694 -0.462 1.00 0.00 C ATOM 43 C VAL A 3 8.188 7.784 0.137 1.00 0.00 C ATOM 44 O VAL A 3 9.384 7.938 -0.092 1.00 0.00 O ATOM 45 CB VAL A 3 6.284 7.981 -1.525 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.351 6.488 -1.474 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.860 8.364 -1.370 1.00 0.00 C ATOM 0 H VAL A 3 8.686 9.829 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 3 6.502 8.980 0.376 1.00 0.00 H new ATOM 0 HB VAL A 3 6.700 8.300 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.720 6.068 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.381 6.165 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.001 6.141 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.262 7.855 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.512 8.076 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.758 9.442 -1.492 1.00 0.00 H new ATOM 57 N VAL A 4 7.726 6.828 0.915 1.00 0.00 N ATOM 58 CA VAL A 4 8.638 5.891 1.539 1.00 0.00 C ATOM 59 C VAL A 4 7.985 4.554 1.802 1.00 0.00 C ATOM 60 O VAL A 4 7.127 4.421 2.662 1.00 0.00 O ATOM 61 CB VAL A 4 9.253 6.448 2.837 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.819 5.325 3.696 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.340 7.445 2.494 1.00 0.00 C ATOM 0 H VAL A 4 6.740 6.679 1.129 1.00 0.00 H new ATOM 0 HA VAL A 4 9.447 5.740 0.824 1.00 0.00 H new ATOM 0 HB VAL A 4 8.471 6.947 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.247 5.744 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.022 4.629 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.594 4.797 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.775 7.839 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.115 6.951 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.913 8.264 1.914 1.00 0.00 H new ATOM 73 N PHE A 5 8.442 3.569 1.057 1.00 0.00 N ATOM 74 CA PHE A 5 7.956 2.202 1.165 1.00 0.00 C ATOM 75 C PHE A 5 8.841 1.402 2.117 1.00 0.00 C ATOM 76 O PHE A 5 9.865 1.891 2.593 1.00 0.00 O ATOM 77 CB PHE A 5 8.046 1.519 -0.186 1.00 0.00 C ATOM 78 CG PHE A 5 7.067 1.940 -1.250 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.512 3.225 -1.340 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.747 1.017 -2.223 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.663 3.542 -2.385 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.905 1.322 -3.249 1.00 0.00 C ATOM 83 CZ PHE A 5 5.355 2.585 -3.341 1.00 0.00 C ATOM 0 H PHE A 5 9.168 3.692 0.352 1.00 0.00 H new ATOM 0 HA PHE A 5 6.928 2.239 1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.052 1.676 -0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.929 0.447 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.748 3.968 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.175 0.027 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.240 4.533 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.667 0.575 -3.992 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.687 2.827 -4.155 1.00 0.00 H new ATOM 93 N ILE A 6 8.451 0.155 2.351 1.00 0.00 N ATOM 94 CA ILE A 6 9.191 -0.753 3.195 1.00 0.00 C ATOM 95 C ILE A 6 9.001 -2.188 2.730 1.00 0.00 C ATOM 96 O ILE A 6 8.077 -2.486 1.975 1.00 0.00 O ATOM 97 CB ILE A 6 8.745 -0.655 4.647 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.404 0.788 4.991 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.841 -1.178 5.529 1.00 0.00 C ATOM 100 CD1 ILE A 6 9.609 1.657 5.226 1.00 0.00 C ATOM 0 H ILE A 6 7.604 -0.251 1.953 1.00 0.00 H new ATOM 0 HA ILE A 6 10.241 -0.470 3.123 1.00 0.00 H new ATOM 0 HB ILE A 6 7.849 -1.255 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.812 1.215 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.779 0.801 5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.531 -1.112 6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.046 -2.218 5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.743 -0.584 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.286 2.670 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.191 1.256 6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.225 1.676 4.327 1.00 0.00 H new ATOM 112 N ASP A 7 9.873 -3.078 3.185 1.00 0.00 N ATOM 113 CA ASP A 7 9.781 -4.478 2.807 1.00 0.00 C ATOM 114 C ASP A 7 10.742 -5.333 3.619 1.00 0.00 C ATOM 115 O ASP A 7 11.533 -4.826 4.410 1.00 0.00 O ATOM 116 CB ASP A 7 10.057 -4.640 1.315 1.00 0.00 C ATOM 117 CG ASP A 7 9.331 -5.828 0.716 1.00 0.00 C ATOM 118 OD1 ASP A 7 9.179 -6.849 1.421 1.00 0.00 O ATOM 119 OD2 ASP A 7 8.913 -5.740 -0.458 1.00 0.00 O ATOM 0 H ASP A 7 10.646 -2.856 3.812 1.00 0.00 H new ATOM 0 HA ASP A 7 8.768 -4.819 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.755 -3.732 0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.129 -4.757 1.158 1.00 0.00 H new ATOM 124 N GLU A 8 10.654 -6.635 3.413 1.00 0.00 N ATOM 125 CA GLU A 8 11.500 -7.588 4.114 1.00 0.00 C ATOM 126 C GLU A 8 12.803 -7.826 3.356 1.00 0.00 C ATOM 127 O GLU A 8 13.679 -8.554 3.822 1.00 0.00 O ATOM 128 CB GLU A 8 10.753 -8.909 4.293 1.00 0.00 C ATOM 129 CG GLU A 8 10.983 -9.563 5.644 1.00 0.00 C ATOM 130 CD GLU A 8 11.656 -10.917 5.528 1.00 0.00 C ATOM 131 OE1 GLU A 8 11.846 -11.387 4.387 1.00 0.00 O ATOM 132 OE2 GLU A 8 11.994 -11.504 6.577 1.00 0.00 O ATOM 0 H GLU A 8 9.998 -7.061 2.759 1.00 0.00 H new ATOM 0 HA GLU A 8 11.746 -7.174 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.685 -8.733 4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.061 -9.600 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.597 -8.907 6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.027 -9.679 6.155 1.00 0.00 H new ATOM 139 N GLN A 9 12.925 -7.206 2.186 1.00 0.00 N ATOM 140 CA GLN A 9 14.123 -7.351 1.368 1.00 0.00 C ATOM 141 C GLN A 9 15.156 -6.292 1.731 1.00 0.00 C ATOM 142 O GLN A 9 16.357 -6.560 1.744 1.00 0.00 O ATOM 143 CB GLN A 9 13.769 -7.243 -0.118 1.00 0.00 C ATOM 144 CG GLN A 9 13.657 -8.587 -0.820 1.00 0.00 C ATOM 145 CD GLN A 9 15.010 -9.182 -1.157 1.00 0.00 C ATOM 146 OE1 GLN A 9 15.813 -9.470 -0.269 1.00 0.00 O ATOM 147 NE2 GLN A 9 15.270 -9.373 -2.446 1.00 0.00 N ATOM 0 H GLN A 9 12.210 -6.600 1.784 1.00 0.00 H new ATOM 0 HA GLN A 9 14.549 -8.335 1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.823 -6.711 -0.219 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.528 -6.643 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 9 13.107 -9.281 -0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 9 13.078 -8.467 -1.736 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.576 -9.120 -3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 9 16.164 -9.773 -2.732 1.00 0.00 H new ATOM 156 N SER A 10 14.683 -5.086 2.028 1.00 0.00 N ATOM 157 CA SER A 10 15.575 -3.990 2.390 1.00 0.00 C ATOM 158 C SER A 10 15.099 -3.274 3.651 1.00 0.00 C ATOM 159 O SER A 10 15.750 -2.342 4.122 1.00 0.00 O ATOM 160 CB SER A 10 15.682 -2.992 1.236 1.00 0.00 C ATOM 161 OG SER A 10 15.582 -1.658 1.704 1.00 0.00 O ATOM 0 H SER A 10 13.692 -4.843 2.025 1.00 0.00 H new ATOM 0 HA SER A 10 16.557 -4.416 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.632 -3.129 0.719 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.893 -3.186 0.509 1.00 0.00 H new ATOM 0 HG SER A 10 14.761 -1.251 1.358 1.00 0.00 H new ATOM 167 N GLY A 11 13.964 -3.705 4.197 1.00 0.00 N ATOM 168 CA GLY A 11 13.445 -3.073 5.396 1.00 0.00 C ATOM 169 C GLY A 11 13.136 -1.607 5.186 1.00 0.00 C ATOM 170 O GLY A 11 13.014 -0.841 6.142 1.00 0.00 O ATOM 0 H GLY A 11 13.400 -4.473 3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.540 -3.591 5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.171 -3.177 6.202 1.00 0.00 H new ATOM 174 N GLU A 12 13.005 -1.223 3.926 1.00 0.00 N ATOM 175 CA GLU A 12 12.702 0.156 3.563 1.00 0.00 C ATOM 176 C GLU A 12 12.860 0.372 2.071 1.00 0.00 C ATOM 177 O GLU A 12 13.743 -0.201 1.433 1.00 0.00 O ATOM 178 CB GLU A 12 13.599 1.133 4.316 1.00 0.00 C ATOM 179 CG GLU A 12 13.626 2.516 3.689 1.00 0.00 C ATOM 180 CD GLU A 12 14.419 3.517 4.508 1.00 0.00 C ATOM 181 OE1 GLU A 12 15.648 3.608 4.305 1.00 0.00 O ATOM 182 OE2 GLU A 12 13.810 4.209 5.351 1.00 0.00 O ATOM 0 H GLU A 12 13.105 -1.852 3.129 1.00 0.00 H new ATOM 0 HA GLU A 12 11.665 0.344 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.254 1.214 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.613 0.735 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.056 2.449 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.604 2.877 3.572 1.00 0.00 H new ATOM 189 N TYR A 13 11.989 1.201 1.522 1.00 0.00 N ATOM 190 CA TYR A 13 12.013 1.499 0.105 1.00 0.00 C ATOM 191 C TYR A 13 11.570 2.935 -0.159 1.00 0.00 C ATOM 192 O TYR A 13 10.567 3.180 -0.828 1.00 0.00 O ATOM 193 CB TYR A 13 11.132 0.494 -0.619 1.00 0.00 C ATOM 194 CG TYR A 13 11.780 -0.856 -0.697 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.858 -1.677 0.422 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.323 -1.306 -1.883 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.466 -2.921 0.352 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.934 -2.538 -1.971 1.00 0.00 C ATOM 199 CZ TYR A 13 13.005 -3.349 -0.851 1.00 0.00 C ATOM 200 OH TYR A 13 13.615 -4.580 -0.931 1.00 0.00 O ATOM 0 H TYR A 13 11.254 1.681 2.041 1.00 0.00 H new ATOM 0 HA TYR A 13 13.032 1.414 -0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.176 0.410 -0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.920 0.855 -1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.439 -1.341 1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.268 -0.679 -2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.519 -3.551 1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.355 -2.869 -2.909 1.00 0.00 H new ATOM 0 HH TYR A 13 13.938 -4.726 -1.845 1.00 0.00 H new ATOM 210 N ALA A 14 12.339 3.878 0.383 1.00 0.00 N ATOM 211 CA ALA A 14 12.051 5.300 0.226 1.00 0.00 C ATOM 212 C ALA A 14 11.826 5.661 -1.230 1.00 0.00 C ATOM 213 O ALA A 14 12.467 5.110 -2.125 1.00 0.00 O ATOM 214 CB ALA A 14 13.175 6.140 0.818 1.00 0.00 C ATOM 0 H ALA A 14 13.171 3.679 0.938 1.00 0.00 H new ATOM 0 HA ALA A 14 11.130 5.516 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.944 7.198 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.277 5.915 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.110 5.910 0.307 1.00 0.00 H new ATOM 220 N VAL A 15 10.897 6.579 -1.465 1.00 0.00 N ATOM 221 CA VAL A 15 10.579 6.991 -2.817 1.00 0.00 C ATOM 222 C VAL A 15 9.752 8.263 -2.846 1.00 0.00 C ATOM 223 O VAL A 15 9.810 9.097 -1.945 1.00 0.00 O ATOM 224 CB VAL A 15 9.862 5.845 -3.561 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.401 5.695 -3.138 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.983 6.015 -5.070 1.00 0.00 C ATOM 0 H VAL A 15 10.356 7.047 -0.738 1.00 0.00 H new ATOM 0 HA VAL A 15 11.515 7.215 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 15 10.365 4.921 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.944 4.875 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.351 5.484 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.864 6.620 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.469 5.194 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.531 6.961 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.036 6.011 -5.353 1.00 0.00 H new ATOM 236 N ASP A 16 9.012 8.406 -3.908 1.00 0.00 N ATOM 237 CA ASP A 16 8.175 9.538 -4.136 1.00 0.00 C ATOM 238 C ASP A 16 7.140 9.155 -5.145 1.00 0.00 C ATOM 239 O ASP A 16 7.272 8.153 -5.838 1.00 0.00 O ATOM 240 CB ASP A 16 8.962 10.688 -4.699 1.00 0.00 C ATOM 241 CG ASP A 16 10.367 10.777 -4.138 1.00 0.00 C ATOM 242 OD1 ASP A 16 11.275 10.138 -4.709 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.559 11.484 -3.127 1.00 0.00 O ATOM 0 H ASP A 16 8.977 7.716 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 16 7.729 9.841 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.016 10.588 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.434 11.619 -4.491 1.00 0.00 H new ATOM 248 N ALA A 17 6.112 9.938 -5.217 1.00 0.00 N ATOM 249 CA ALA A 17 5.049 9.656 -6.132 1.00 0.00 C ATOM 250 C ALA A 17 4.471 10.923 -6.740 1.00 0.00 C ATOM 251 O ALA A 17 4.984 12.020 -6.525 1.00 0.00 O ATOM 252 CB ALA A 17 4.018 8.894 -5.363 1.00 0.00 C ATOM 0 H ALA A 17 5.984 10.779 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 17 5.415 9.072 -6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.181 8.652 -6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.457 7.973 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.664 9.501 -4.530 1.00 0.00 H new ATOM 258 N GLN A 18 3.398 10.758 -7.495 1.00 0.00 N ATOM 259 CA GLN A 18 2.728 11.881 -8.140 1.00 0.00 C ATOM 260 C GLN A 18 1.215 11.711 -8.064 1.00 0.00 C ATOM 261 O GLN A 18 0.690 10.646 -8.389 1.00 0.00 O ATOM 262 CB GLN A 18 3.169 12.001 -9.601 1.00 0.00 C ATOM 263 CG GLN A 18 4.613 11.593 -9.840 1.00 0.00 C ATOM 264 CD GLN A 18 4.870 11.186 -11.278 1.00 0.00 C ATOM 265 OE1 GLN A 18 4.092 11.509 -12.175 1.00 0.00 O ATOM 266 NE2 GLN A 18 5.965 10.469 -11.504 1.00 0.00 N ATOM 0 H GLN A 18 2.968 9.852 -7.679 1.00 0.00 H new ATOM 0 HA GLN A 18 3.007 12.794 -7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.519 11.382 -10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.033 13.032 -9.929 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.270 12.422 -9.577 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.867 10.764 -9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.583 10.224 -10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.188 10.164 -12.451 1.00 0.00 H new ATOM 275 N ASP A 19 0.519 12.758 -7.627 1.00 0.00 N ATOM 276 CA ASP A 19 -0.934 12.708 -7.507 1.00 0.00 C ATOM 277 C ASP A 19 -1.539 11.865 -8.617 1.00 0.00 C ATOM 278 O ASP A 19 -1.542 12.254 -9.785 1.00 0.00 O ATOM 279 CB ASP A 19 -1.523 14.114 -7.508 1.00 0.00 C ATOM 280 CG ASP A 19 -0.705 15.087 -6.683 1.00 0.00 C ATOM 281 OD1 ASP A 19 0.488 15.275 -7.000 1.00 0.00 O ATOM 282 OD2 ASP A 19 -1.256 15.658 -5.719 1.00 0.00 O ATOM 0 H ASP A 19 0.936 13.647 -7.352 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.181 12.238 -6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.587 14.477 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.540 14.078 -7.119 1.00 0.00 H new ATOM 287 N GLY A 20 -2.039 10.698 -8.233 1.00 0.00 N ATOM 288 CA GLY A 20 -2.631 9.791 -9.189 1.00 0.00 C ATOM 289 C GLY A 20 -1.932 8.446 -9.217 1.00 0.00 C ATOM 290 O GLY A 20 -2.326 7.556 -9.972 1.00 0.00 O ATOM 0 H GLY A 20 -2.044 10.364 -7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.683 9.646 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.593 10.238 -10.182 1.00 0.00 H new ATOM 294 N GLN A 21 -0.895 8.284 -8.390 1.00 0.00 N ATOM 295 CA GLN A 21 -0.166 7.024 -8.342 1.00 0.00 C ATOM 296 C GLN A 21 -0.365 6.334 -7.000 1.00 0.00 C ATOM 297 O GLN A 21 -0.411 6.984 -5.955 1.00 0.00 O ATOM 298 CB GLN A 21 1.322 7.258 -8.596 1.00 0.00 C ATOM 299 CG GLN A 21 1.629 7.737 -10.005 1.00 0.00 C ATOM 300 CD GLN A 21 2.911 8.541 -10.090 1.00 0.00 C ATOM 301 OE1 GLN A 21 3.129 9.283 -11.048 1.00 0.00 O ATOM 302 NE2 GLN A 21 3.767 8.395 -9.089 1.00 0.00 N ATOM 0 H GLN A 21 -0.549 9.002 -7.754 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.559 6.376 -9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.693 7.993 -7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.864 6.331 -8.410 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.702 6.875 -10.668 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.800 8.346 -10.365 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.545 7.769 -8.315 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.648 8.909 -9.092 1.00 0.00 H new ATOM 311 N SER A 22 -0.484 5.012 -7.038 1.00 0.00 N ATOM 312 CA SER A 22 -0.681 4.225 -5.828 1.00 0.00 C ATOM 313 C SER A 22 0.662 3.811 -5.233 1.00 0.00 C ATOM 314 O SER A 22 1.716 4.201 -5.735 1.00 0.00 O ATOM 315 CB SER A 22 -1.513 2.980 -6.144 1.00 0.00 C ATOM 316 OG SER A 22 -0.685 1.843 -6.307 1.00 0.00 O ATOM 0 H SER A 22 -0.447 4.462 -7.896 1.00 0.00 H new ATOM 0 HA SER A 22 -1.212 4.838 -5.100 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.227 2.802 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.091 3.146 -7.053 1.00 0.00 H new ATOM 0 HG SER A 22 -0.717 1.296 -5.495 1.00 0.00 H new ATOM 322 N LEU A 23 0.622 3.013 -4.169 1.00 0.00 N ATOM 323 CA LEU A 23 1.856 2.548 -3.530 1.00 0.00 C ATOM 324 C LEU A 23 2.269 1.195 -4.083 1.00 0.00 C ATOM 325 O LEU A 23 3.071 0.480 -3.482 1.00 0.00 O ATOM 326 CB LEU A 23 1.695 2.463 -2.014 1.00 0.00 C ATOM 327 CG LEU A 23 1.607 3.809 -1.296 1.00 0.00 C ATOM 328 CD1 LEU A 23 2.585 4.802 -1.903 1.00 0.00 C ATOM 329 CD2 LEU A 23 0.187 4.353 -1.351 1.00 0.00 C ATOM 0 H LEU A 23 -0.237 2.677 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 23 2.637 3.275 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.795 1.890 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.537 1.905 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 23 1.875 3.659 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.508 5.755 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.600 4.417 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.349 4.948 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.144 5.312 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.111 4.487 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.491 3.650 -0.867 1.00 0.00 H new ATOM 341 N MET A 24 1.728 0.862 -5.243 1.00 0.00 N ATOM 342 CA MET A 24 2.047 -0.391 -5.905 1.00 0.00 C ATOM 343 C MET A 24 2.875 -0.104 -7.147 1.00 0.00 C ATOM 344 O MET A 24 3.657 -0.939 -7.597 1.00 0.00 O ATOM 345 CB MET A 24 0.769 -1.141 -6.281 1.00 0.00 C ATOM 346 CG MET A 24 0.050 -0.550 -7.481 1.00 0.00 C ATOM 347 SD MET A 24 0.475 -1.377 -9.025 1.00 0.00 S ATOM 348 CE MET A 24 -0.289 -0.274 -10.211 1.00 0.00 C ATOM 0 H MET A 24 1.062 1.446 -5.748 1.00 0.00 H new ATOM 0 HA MET A 24 2.620 -1.020 -5.224 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.017 -2.181 -6.492 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.093 -1.141 -5.426 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.026 -0.616 -7.323 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.296 0.509 -7.561 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.994 -0.833 -10.826 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.818 0.519 -9.682 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.479 0.164 -10.848 1.00 0.00 H new ATOM 358 N GLU A 25 2.697 1.099 -7.687 1.00 0.00 N ATOM 359 CA GLU A 25 3.428 1.522 -8.869 1.00 0.00 C ATOM 360 C GLU A 25 4.713 2.216 -8.491 1.00 0.00 C ATOM 361 O GLU A 25 5.745 1.976 -9.120 1.00 0.00 O ATOM 362 CB GLU A 25 2.569 2.430 -9.751 1.00 0.00 C ATOM 363 CG GLU A 25 3.348 3.118 -10.860 1.00 0.00 C ATOM 364 CD GLU A 25 2.925 2.657 -12.242 1.00 0.00 C ATOM 365 OE1 GLU A 25 2.270 1.599 -12.338 1.00 0.00 O ATOM 366 OE2 GLU A 25 3.248 3.356 -13.226 1.00 0.00 O ATOM 0 H GLU A 25 2.050 1.797 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 25 3.678 0.628 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.768 1.839 -10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.097 3.188 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.208 4.196 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.412 2.924 -10.726 1.00 0.00 H new ATOM 373 N VAL A 26 4.696 3.054 -7.456 1.00 0.00 N ATOM 374 CA VAL A 26 5.938 3.693 -7.077 1.00 0.00 C ATOM 375 C VAL A 26 6.986 2.613 -6.971 1.00 0.00 C ATOM 376 O VAL A 26 8.015 2.640 -7.633 1.00 0.00 O ATOM 377 CB VAL A 26 5.907 4.454 -5.744 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.724 5.696 -5.899 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.530 4.820 -5.293 1.00 0.00 C ATOM 0 H VAL A 26 3.878 3.293 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 26 6.146 4.441 -7.842 1.00 0.00 H new ATOM 0 HB VAL A 26 6.312 3.792 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.717 6.255 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.749 5.428 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.302 6.312 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.588 5.355 -4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.060 5.458 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.937 3.915 -5.163 1.00 0.00 H new ATOM 389 N ALA A 27 6.669 1.649 -6.130 1.00 0.00 N ATOM 390 CA ALA A 27 7.527 0.505 -5.884 1.00 0.00 C ATOM 391 C ALA A 27 8.408 0.173 -7.076 1.00 0.00 C ATOM 392 O ALA A 27 9.612 0.429 -7.071 1.00 0.00 O ATOM 393 CB ALA A 27 6.696 -0.721 -5.549 1.00 0.00 C ATOM 0 H ALA A 27 5.802 1.637 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 27 8.166 0.777 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.356 -1.569 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.103 -0.525 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.032 -0.950 -6.383 1.00 0.00 H new ATOM 399 N THR A 28 7.796 -0.423 -8.089 1.00 0.00 N ATOM 400 CA THR A 28 8.528 -0.819 -9.283 1.00 0.00 C ATOM 401 C THR A 28 9.404 0.331 -9.754 1.00 0.00 C ATOM 402 O THR A 28 10.470 0.120 -10.333 1.00 0.00 O ATOM 403 CB THR A 28 7.575 -1.251 -10.402 1.00 0.00 C ATOM 404 OG1 THR A 28 7.436 -0.222 -11.366 1.00 0.00 O ATOM 405 CG2 THR A 28 6.186 -1.621 -9.925 1.00 0.00 C ATOM 0 H THR A 28 6.800 -0.642 -8.108 1.00 0.00 H new ATOM 0 HA THR A 28 9.156 -1.673 -9.031 1.00 0.00 H new ATOM 0 HB THR A 28 8.034 -2.143 -10.828 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.825 -0.517 -12.073 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.575 -1.915 -10.778 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.252 -2.452 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.731 -0.763 -9.431 1.00 0.00 H new ATOM 413 N GLN A 29 8.954 1.549 -9.481 1.00 0.00 N ATOM 414 CA GLN A 29 9.708 2.742 -9.858 1.00 0.00 C ATOM 415 C GLN A 29 10.827 3.031 -8.853 1.00 0.00 C ATOM 416 O GLN A 29 11.862 3.597 -9.207 1.00 0.00 O ATOM 417 CB GLN A 29 8.780 3.953 -9.971 1.00 0.00 C ATOM 418 CG GLN A 29 7.594 3.729 -10.894 1.00 0.00 C ATOM 419 CD GLN A 29 7.427 4.845 -11.908 1.00 0.00 C ATOM 420 OE1 GLN A 29 8.168 5.828 -11.895 1.00 0.00 O ATOM 421 NE2 GLN A 29 6.446 4.701 -12.792 1.00 0.00 N ATOM 0 H GLN A 29 8.074 1.739 -9.002 1.00 0.00 H new ATOM 0 HA GLN A 29 10.162 2.553 -10.831 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.413 4.212 -8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.354 4.807 -10.331 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.720 2.782 -11.419 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.685 3.645 -10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.855 3.870 -12.767 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.284 5.421 -13.496 1.00 0.00 H new ATOM 430 N ASN A 30 10.605 2.649 -7.600 1.00 0.00 N ATOM 431 CA ASN A 30 11.585 2.871 -6.531 1.00 0.00 C ATOM 432 C ASN A 30 12.571 1.714 -6.423 1.00 0.00 C ATOM 433 O ASN A 30 13.383 1.666 -5.498 1.00 0.00 O ATOM 434 CB ASN A 30 10.864 3.023 -5.189 1.00 0.00 C ATOM 435 CG ASN A 30 9.392 3.326 -5.371 1.00 0.00 C ATOM 436 OD1 ASN A 30 9.021 4.034 -6.300 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.554 2.818 -4.485 1.00 0.00 N ATOM 0 H ASN A 30 9.752 2.181 -7.294 1.00 0.00 H new ATOM 0 HA ASN A 30 12.136 3.779 -6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.977 2.106 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.331 3.823 -4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.555 3.010 -4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.906 2.233 -3.727 1.00 0.00 H new ATOM 444 N GLY A 31 12.479 0.768 -7.347 1.00 0.00 N ATOM 445 CA GLY A 31 13.354 -0.390 -7.300 1.00 0.00 C ATOM 446 C GLY A 31 12.815 -1.442 -6.350 1.00 0.00 C ATOM 447 O GLY A 31 13.357 -2.542 -6.240 1.00 0.00 O ATOM 0 H GLY A 31 11.819 0.779 -8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.455 -0.815 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.351 -0.084 -6.982 1.00 0.00 H new ATOM 451 N VAL A 32 11.728 -1.085 -5.672 1.00 0.00 N ATOM 452 CA VAL A 32 11.059 -1.957 -4.723 1.00 0.00 C ATOM 453 C VAL A 32 10.814 -3.336 -5.342 1.00 0.00 C ATOM 454 O VAL A 32 10.873 -3.493 -6.561 1.00 0.00 O ATOM 455 CB VAL A 32 9.734 -1.287 -4.289 1.00 0.00 C ATOM 456 CG1 VAL A 32 9.130 -1.883 -3.039 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.940 0.197 -4.066 1.00 0.00 C ATOM 0 H VAL A 32 11.285 -0.171 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 32 11.687 -2.107 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 32 9.036 -1.466 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.204 -1.361 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.919 -2.939 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.831 -1.779 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.998 0.653 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.686 0.348 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.285 0.660 -4.991 1.00 0.00 H new ATOM 467 N PRO A 33 10.570 -4.362 -4.507 1.00 0.00 N ATOM 468 CA PRO A 33 10.356 -5.741 -4.964 1.00 0.00 C ATOM 469 C PRO A 33 9.026 -5.924 -5.694 1.00 0.00 C ATOM 470 O PRO A 33 8.688 -7.027 -6.120 1.00 0.00 O ATOM 471 CB PRO A 33 10.397 -6.554 -3.653 1.00 0.00 C ATOM 472 CG PRO A 33 11.013 -5.623 -2.655 1.00 0.00 C ATOM 473 CD PRO A 33 10.513 -4.283 -3.049 1.00 0.00 C ATOM 0 HA PRO A 33 11.102 -6.054 -5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.398 -6.862 -3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.989 -7.462 -3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.715 -5.876 -1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.102 -5.667 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.501 -4.102 -2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.139 -3.481 -2.658 1.00 0.00 H new ATOM 481 N GLY A 34 8.286 -4.831 -5.846 1.00 0.00 N ATOM 482 CA GLY A 34 7.013 -4.883 -6.539 1.00 0.00 C ATOM 483 C GLY A 34 6.241 -6.156 -6.264 1.00 0.00 C ATOM 484 O GLY A 34 5.876 -6.880 -7.190 1.00 0.00 O ATOM 0 H GLY A 34 8.547 -3.907 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.408 -4.026 -6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.186 -4.794 -7.612 1.00 0.00 H new ATOM 488 N ILE A 35 5.978 -6.428 -4.991 1.00 0.00 N ATOM 489 CA ILE A 35 5.231 -7.617 -4.611 1.00 0.00 C ATOM 490 C ILE A 35 3.739 -7.307 -4.543 1.00 0.00 C ATOM 491 O ILE A 35 3.058 -7.674 -3.586 1.00 0.00 O ATOM 492 CB ILE A 35 5.703 -8.177 -3.256 1.00 0.00 C ATOM 493 CG1 ILE A 35 7.192 -7.886 -3.049 1.00 0.00 C ATOM 494 CG2 ILE A 35 5.433 -9.673 -3.185 1.00 0.00 C ATOM 495 CD1 ILE A 35 7.868 -8.836 -2.083 1.00 0.00 C ATOM 0 H ILE A 35 6.270 -5.843 -4.209 1.00 0.00 H new ATOM 0 HA ILE A 35 5.413 -8.373 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 35 5.145 -7.686 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.701 -7.937 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.306 -6.866 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.771 -10.058 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.364 -9.855 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.971 -10.178 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.920 -8.569 -1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.385 -8.768 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.786 -9.856 -2.458 1.00 0.00 H new ATOM 507 N VAL A 36 3.245 -6.620 -5.569 1.00 0.00 N ATOM 508 CA VAL A 36 1.838 -6.246 -5.642 1.00 0.00 C ATOM 509 C VAL A 36 1.418 -5.973 -7.083 1.00 0.00 C ATOM 510 O VAL A 36 1.210 -4.824 -7.474 1.00 0.00 O ATOM 511 CB VAL A 36 1.550 -4.993 -4.795 1.00 0.00 C ATOM 512 CG1 VAL A 36 1.351 -5.367 -3.335 1.00 0.00 C ATOM 513 CG2 VAL A 36 2.675 -3.979 -4.947 1.00 0.00 C ATOM 0 H VAL A 36 3.803 -6.310 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 36 1.265 -7.086 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 36 0.628 -4.537 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.149 -4.468 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.509 -6.053 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.253 -5.849 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.456 -3.099 -4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.613 -4.424 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.763 -3.687 -5.993 1.00 0.00 H new ATOM 523 N ALA A 37 1.296 -7.037 -7.871 1.00 0.00 N ATOM 524 CA ALA A 37 0.903 -6.910 -9.268 1.00 0.00 C ATOM 525 C ALA A 37 0.265 -8.197 -9.777 1.00 0.00 C ATOM 526 O ALA A 37 0.818 -8.875 -10.643 1.00 0.00 O ATOM 527 CB ALA A 37 2.105 -6.544 -10.124 1.00 0.00 C ATOM 0 H ALA A 37 1.464 -7.995 -7.565 1.00 0.00 H new ATOM 0 HA ALA A 37 0.163 -6.113 -9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.796 -6.453 -11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.519 -5.595 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.864 -7.322 -10.038 1.00 0.00 H new ATOM 533 N GLU A 38 -0.901 -8.527 -9.234 1.00 0.00 N ATOM 534 CA GLU A 38 -1.614 -9.733 -9.633 1.00 0.00 C ATOM 535 C GLU A 38 -2.649 -9.422 -10.710 1.00 0.00 C ATOM 536 O GLU A 38 -2.715 -10.100 -11.735 1.00 0.00 O ATOM 537 CB GLU A 38 -2.293 -10.372 -8.424 1.00 0.00 C ATOM 538 CG GLU A 38 -2.871 -11.748 -8.708 1.00 0.00 C ATOM 539 CD GLU A 38 -1.818 -12.733 -9.178 1.00 0.00 C ATOM 540 OE1 GLU A 38 -0.641 -12.573 -8.792 1.00 0.00 O ATOM 541 OE2 GLU A 38 -2.171 -13.663 -9.933 1.00 0.00 O ATOM 0 H GLU A 38 -1.372 -7.976 -8.516 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.889 -10.435 -10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.570 -10.451 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.092 -9.716 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.347 -12.132 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.649 -11.663 -9.467 1.00 0.00 H new ATOM 548 N CYS A 39 -3.452 -8.389 -10.472 1.00 0.00 N ATOM 549 CA CYS A 39 -4.481 -7.988 -11.425 1.00 0.00 C ATOM 550 C CYS A 39 -4.074 -6.717 -12.164 1.00 0.00 C ATOM 551 O CYS A 39 -4.835 -6.188 -12.976 1.00 0.00 O ATOM 552 CB CYS A 39 -5.818 -7.776 -10.710 1.00 0.00 C ATOM 553 SG CYS A 39 -5.922 -6.221 -9.765 1.00 0.00 S ATOM 0 H CYS A 39 -3.410 -7.816 -9.629 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.595 -8.789 -12.156 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.619 -7.793 -11.449 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.991 -8.612 -10.032 1.00 0.00 H new ATOM 558 N GLY A 40 -2.869 -6.230 -11.882 1.00 0.00 N ATOM 559 CA GLY A 40 -2.384 -5.028 -12.533 1.00 0.00 C ATOM 560 C GLY A 40 -3.076 -3.773 -12.035 1.00 0.00 C ATOM 561 O GLY A 40 -3.642 -3.016 -12.823 1.00 0.00 O ATOM 0 H GLY A 40 -2.221 -6.647 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.311 -4.937 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.533 -5.117 -13.609 1.00 0.00 H new ATOM 565 N GLY A 41 -3.027 -3.551 -10.726 1.00 0.00 N ATOM 566 CA GLY A 41 -3.657 -2.377 -10.149 1.00 0.00 C ATOM 567 C GLY A 41 -4.955 -2.015 -10.842 1.00 0.00 C ATOM 568 O GLY A 41 -5.104 -0.906 -11.355 1.00 0.00 O ATOM 0 H GLY A 41 -2.563 -4.162 -10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.851 -2.556 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.969 -1.533 -10.209 1.00 0.00 H new ATOM 572 N SER A 42 -5.895 -2.952 -10.858 1.00 0.00 N ATOM 573 CA SER A 42 -7.188 -2.728 -11.492 1.00 0.00 C ATOM 574 C SER A 42 -8.330 -3.049 -10.533 1.00 0.00 C ATOM 575 O SER A 42 -9.496 -3.059 -10.925 1.00 0.00 O ATOM 576 CB SER A 42 -7.312 -3.579 -12.758 1.00 0.00 C ATOM 577 OG SER A 42 -6.295 -3.258 -13.692 1.00 0.00 O ATOM 0 H SER A 42 -5.786 -3.875 -10.439 1.00 0.00 H new ATOM 0 HA SER A 42 -7.254 -1.674 -11.763 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.250 -4.635 -12.497 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.290 -3.420 -13.212 1.00 0.00 H new ATOM 0 HG SER A 42 -5.419 -3.319 -13.256 1.00 0.00 H new ATOM 583 N CYS A 43 -7.988 -3.311 -9.276 1.00 0.00 N ATOM 584 CA CYS A 43 -8.987 -3.633 -8.263 1.00 0.00 C ATOM 585 C CYS A 43 -9.758 -4.893 -8.641 1.00 0.00 C ATOM 586 O CYS A 43 -10.965 -4.848 -8.875 1.00 0.00 O ATOM 587 CB CYS A 43 -9.956 -2.464 -8.084 1.00 0.00 C ATOM 588 SG CYS A 43 -11.288 -2.784 -6.905 1.00 0.00 S ATOM 0 H CYS A 43 -7.027 -3.307 -8.934 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.468 -3.814 -7.322 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.396 -1.589 -7.754 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.393 -2.217 -9.051 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.842 -3.928 -7.176 1.00 0.00 H new ATOM 594 N VAL A 44 -9.051 -6.017 -8.697 1.00 0.00 N ATOM 595 CA VAL A 44 -9.666 -7.292 -9.046 1.00 0.00 C ATOM 596 C VAL A 44 -8.994 -8.445 -8.309 1.00 0.00 C ATOM 597 O VAL A 44 -9.087 -9.600 -8.725 1.00 0.00 O ATOM 598 CB VAL A 44 -9.593 -7.558 -10.560 1.00 0.00 C ATOM 599 CG1 VAL A 44 -10.585 -8.640 -10.962 1.00 0.00 C ATOM 600 CG2 VAL A 44 -9.841 -6.276 -11.339 1.00 0.00 C ATOM 0 H VAL A 44 -8.051 -6.070 -8.505 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.712 -7.229 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.591 -7.913 -10.801 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.518 -8.814 -12.036 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.353 -9.563 -10.430 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.595 -8.320 -10.708 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.786 -6.483 -12.408 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.830 -5.888 -11.095 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.085 -5.537 -11.073 1.00 0.00 H new ATOM 610 N CYS A 45 -8.316 -8.122 -7.213 1.00 0.00 N ATOM 611 CA CYS A 45 -7.627 -9.129 -6.417 1.00 0.00 C ATOM 612 C CYS A 45 -7.296 -8.591 -5.029 1.00 0.00 C ATOM 613 O CYS A 45 -7.629 -7.454 -4.696 1.00 0.00 O ATOM 614 CB CYS A 45 -6.345 -9.580 -7.122 1.00 0.00 C ATOM 615 SG CYS A 45 -4.896 -8.525 -6.789 1.00 0.00 S ATOM 0 H CYS A 45 -8.229 -7.170 -6.856 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.292 -9.986 -6.306 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.115 -10.600 -6.815 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.524 -9.603 -8.197 1.00 0.00 H new ATOM 620 N ALA A 46 -6.636 -9.416 -4.226 1.00 0.00 N ATOM 621 CA ALA A 46 -6.255 -9.025 -2.876 1.00 0.00 C ATOM 622 C ALA A 46 -4.843 -9.497 -2.551 1.00 0.00 C ATOM 623 O ALA A 46 -4.440 -9.532 -1.389 1.00 0.00 O ATOM 624 CB ALA A 46 -7.248 -9.579 -1.864 1.00 0.00 C ATOM 0 H ALA A 46 -6.354 -10.361 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.270 -7.937 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.950 -9.278 -0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.243 -9.189 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.263 -10.667 -1.927 1.00 0.00 H new ATOM 630 N THR A 47 -4.094 -9.858 -3.589 1.00 0.00 N ATOM 631 CA THR A 47 -2.724 -10.328 -3.421 1.00 0.00 C ATOM 632 C THR A 47 -1.755 -9.157 -3.282 1.00 0.00 C ATOM 633 O THR A 47 -0.567 -9.350 -3.023 1.00 0.00 O ATOM 634 CB THR A 47 -2.318 -11.206 -4.604 1.00 0.00 C ATOM 635 OG1 THR A 47 -2.639 -10.572 -5.830 1.00 0.00 O ATOM 636 CG2 THR A 47 -2.987 -12.564 -4.599 1.00 0.00 C ATOM 0 H THR A 47 -4.414 -9.834 -4.557 1.00 0.00 H new ATOM 0 HA THR A 47 -2.679 -10.918 -2.506 1.00 0.00 H new ATOM 0 HB THR A 47 -1.242 -11.350 -4.503 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.176 -9.710 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.655 -13.136 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.720 -13.098 -3.687 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.069 -12.437 -4.641 1.00 0.00 H new ATOM 644 N CYS A 48 -2.270 -7.943 -3.451 1.00 0.00 N ATOM 645 CA CYS A 48 -1.450 -6.742 -3.336 1.00 0.00 C ATOM 646 C CYS A 48 -1.434 -6.247 -1.895 1.00 0.00 C ATOM 647 O CYS A 48 -1.494 -5.044 -1.639 1.00 0.00 O ATOM 648 CB CYS A 48 -1.988 -5.648 -4.255 1.00 0.00 C ATOM 649 SG CYS A 48 -3.791 -5.418 -4.152 1.00 0.00 S ATOM 0 H CYS A 48 -3.251 -7.765 -3.668 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.431 -6.988 -3.635 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.497 -4.707 -4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.720 -5.888 -5.284 1.00 0.00 H new ATOM 654 N ARG A 49 -1.368 -7.187 -0.959 1.00 0.00 N ATOM 655 CA ARG A 49 -1.360 -6.858 0.460 1.00 0.00 C ATOM 656 C ARG A 49 -0.283 -5.830 0.793 1.00 0.00 C ATOM 657 O ARG A 49 0.806 -6.180 1.247 1.00 0.00 O ATOM 658 CB ARG A 49 -1.154 -8.120 1.299 1.00 0.00 C ATOM 659 CG ARG A 49 -1.690 -7.994 2.715 1.00 0.00 C ATOM 660 CD ARG A 49 -3.210 -8.036 2.742 1.00 0.00 C ATOM 661 NE ARG A 49 -3.743 -7.754 4.071 1.00 0.00 N ATOM 662 CZ ARG A 49 -4.947 -7.233 4.287 1.00 0.00 C ATOM 663 NH1 ARG A 49 -5.742 -6.951 3.265 1.00 0.00 N ATOM 664 NH2 ARG A 49 -5.357 -6.995 5.525 1.00 0.00 N ATOM 0 H ARG A 49 -1.319 -8.186 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.329 -6.420 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.644 -8.960 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.090 -8.351 1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.292 -8.802 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.343 -7.059 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.605 -7.310 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.551 -9.019 2.416 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.159 -7.969 4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.431 -7.134 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.665 -6.551 3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.748 -7.212 6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.281 -6.595 5.688 1.00 0.00 H new ATOM 678 N ILE A 50 -0.609 -4.558 0.583 1.00 0.00 N ATOM 679 CA ILE A 50 0.315 -3.472 0.881 1.00 0.00 C ATOM 680 C ILE A 50 -0.002 -2.887 2.251 1.00 0.00 C ATOM 681 O ILE A 50 -1.099 -3.086 2.773 1.00 0.00 O ATOM 682 CB ILE A 50 0.248 -2.361 -0.186 1.00 0.00 C ATOM 683 CG1 ILE A 50 0.892 -2.848 -1.490 1.00 0.00 C ATOM 684 CG2 ILE A 50 0.919 -1.090 0.316 1.00 0.00 C ATOM 685 CD1 ILE A 50 2.350 -2.463 -1.642 1.00 0.00 C ATOM 0 H ILE A 50 -1.508 -4.255 0.207 1.00 0.00 H new ATOM 0 HA ILE A 50 1.325 -3.882 0.878 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.798 -2.126 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.807 -3.933 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.331 -2.444 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.860 -0.319 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.413 -0.743 1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.965 -1.296 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.730 -2.845 -2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.443 -1.377 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.926 -2.890 -0.821 1.00 0.00 H new ATOM 697 N GLU A 51 0.953 -2.183 2.843 1.00 0.00 N ATOM 698 CA GLU A 51 0.736 -1.610 4.163 1.00 0.00 C ATOM 699 C GLU A 51 1.281 -0.193 4.281 1.00 0.00 C ATOM 700 O GLU A 51 2.491 0.016 4.351 1.00 0.00 O ATOM 701 CB GLU A 51 1.381 -2.493 5.229 1.00 0.00 C ATOM 702 CG GLU A 51 0.434 -3.522 5.823 1.00 0.00 C ATOM 703 CD GLU A 51 1.126 -4.439 6.814 1.00 0.00 C ATOM 704 OE1 GLU A 51 2.318 -4.749 6.606 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.476 -4.845 7.799 1.00 0.00 O ATOM 0 H GLU A 51 1.871 -1.997 2.438 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.342 -1.562 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.236 -3.009 4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.765 -1.860 6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.390 -3.010 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.001 -4.119 5.021 1.00 0.00 H new ATOM 712 N ILE A 52 0.374 0.772 4.348 1.00 0.00 N ATOM 713 CA ILE A 52 0.751 2.168 4.509 1.00 0.00 C ATOM 714 C ILE A 52 1.329 2.366 5.895 1.00 0.00 C ATOM 715 O ILE A 52 0.856 1.741 6.845 1.00 0.00 O ATOM 716 CB ILE A 52 -0.473 3.087 4.371 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.077 2.962 2.977 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.095 4.529 4.673 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.367 3.805 1.953 1.00 0.00 C ATOM 0 H ILE A 52 -0.632 0.612 4.293 1.00 0.00 H new ATOM 0 HA ILE A 52 1.479 2.417 3.737 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.225 2.776 5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.046 1.918 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.127 3.252 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.974 5.165 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.287 4.599 5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.674 4.858 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.842 3.674 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.421 4.854 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.677 3.499 1.890 1.00 0.00 H new ATOM 731 N GLU A 53 2.337 3.220 6.051 1.00 0.00 N ATOM 732 CA GLU A 53 2.872 3.400 7.396 1.00 0.00 C ATOM 733 C GLU A 53 1.713 3.801 8.322 1.00 0.00 C ATOM 734 O GLU A 53 0.650 4.184 7.838 1.00 0.00 O ATOM 735 CB GLU A 53 4.039 4.401 7.419 1.00 0.00 C ATOM 736 CG GLU A 53 3.704 5.742 8.029 1.00 0.00 C ATOM 737 CD GLU A 53 4.129 5.843 9.482 1.00 0.00 C ATOM 738 OE1 GLU A 53 3.329 5.469 10.365 1.00 0.00 O ATOM 739 OE2 GLU A 53 5.265 6.295 9.735 1.00 0.00 O ATOM 0 H GLU A 53 2.778 3.768 5.312 1.00 0.00 H new ATOM 0 HA GLU A 53 3.301 2.465 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.867 3.961 7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.387 4.557 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.192 6.530 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.630 5.913 7.955 1.00 0.00 H new ATOM 746 N ASP A 54 1.883 3.671 9.636 1.00 0.00 N ATOM 747 CA ASP A 54 0.793 3.982 10.577 1.00 0.00 C ATOM 748 C ASP A 54 0.597 5.480 10.817 1.00 0.00 C ATOM 749 O ASP A 54 -0.028 5.883 11.797 1.00 0.00 O ATOM 750 CB ASP A 54 1.026 3.263 11.908 1.00 0.00 C ATOM 751 CG ASP A 54 -0.056 3.560 12.929 1.00 0.00 C ATOM 752 OD1 ASP A 54 -1.250 3.448 12.580 1.00 0.00 O ATOM 753 OD2 ASP A 54 0.292 3.902 14.079 1.00 0.00 O ATOM 0 H ASP A 54 2.749 3.358 10.075 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.125 3.623 10.111 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.070 2.188 11.733 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.994 3.560 12.313 1.00 0.00 H new ATOM 758 N ALA A 55 1.101 6.294 9.909 1.00 0.00 N ATOM 759 CA ALA A 55 0.957 7.735 9.998 1.00 0.00 C ATOM 760 C ALA A 55 0.077 8.240 8.875 1.00 0.00 C ATOM 761 O ALA A 55 -0.511 9.317 8.959 1.00 0.00 O ATOM 762 CB ALA A 55 2.315 8.409 9.904 1.00 0.00 C ATOM 0 H ALA A 55 1.621 5.976 9.091 1.00 0.00 H new ATOM 0 HA ALA A 55 0.500 7.974 10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.190 9.490 9.972 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.949 8.065 10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.781 8.157 8.951 1.00 0.00 H new ATOM 768 N TRP A 56 0.054 7.475 7.791 1.00 0.00 N ATOM 769 CA TRP A 56 -0.679 7.864 6.601 1.00 0.00 C ATOM 770 C TRP A 56 -1.932 7.077 6.347 1.00 0.00 C ATOM 771 O TRP A 56 -2.596 7.289 5.339 1.00 0.00 O ATOM 772 CB TRP A 56 0.232 7.731 5.417 1.00 0.00 C ATOM 773 CG TRP A 56 1.452 8.515 5.638 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.418 8.249 6.551 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.822 9.707 4.979 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.373 9.217 6.520 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.041 10.121 5.549 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.245 10.469 3.953 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.699 11.263 5.134 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.914 11.608 3.534 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.127 11.993 4.123 1.00 0.00 C ATOM 0 H TRP A 56 0.537 6.580 7.715 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.003 8.892 6.762 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.486 6.683 5.258 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.275 8.076 4.516 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.428 7.392 7.208 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.197 9.261 7.119 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.308 10.177 3.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.629 11.570 5.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.494 12.209 2.741 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.623 12.886 3.772 1.00 0.00 H new ATOM 792 N VAL A 57 -2.289 6.199 7.238 1.00 0.00 N ATOM 793 CA VAL A 57 -3.498 5.457 7.043 1.00 0.00 C ATOM 794 C VAL A 57 -4.659 6.403 7.168 1.00 0.00 C ATOM 795 O VAL A 57 -5.650 6.313 6.443 1.00 0.00 O ATOM 796 CB VAL A 57 -3.628 4.351 8.056 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.872 3.559 7.757 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.374 3.521 8.010 1.00 0.00 C ATOM 0 H VAL A 57 -1.772 5.982 8.090 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.482 4.999 6.054 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.733 4.737 9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.975 2.755 8.486 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.742 4.213 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.801 3.134 6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.446 2.712 8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.252 3.101 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.514 4.147 8.248 1.00 0.00 H new ATOM 808 N GLU A 58 -4.492 7.348 8.074 1.00 0.00 N ATOM 809 CA GLU A 58 -5.488 8.371 8.283 1.00 0.00 C ATOM 810 C GLU A 58 -5.290 9.467 7.240 1.00 0.00 C ATOM 811 O GLU A 58 -6.069 10.417 7.156 1.00 0.00 O ATOM 812 CB GLU A 58 -5.391 8.946 9.698 1.00 0.00 C ATOM 813 CG GLU A 58 -5.703 7.931 10.786 1.00 0.00 C ATOM 814 CD GLU A 58 -4.887 8.154 12.044 1.00 0.00 C ATOM 815 OE1 GLU A 58 -3.868 8.873 11.972 1.00 0.00 O ATOM 816 OE2 GLU A 58 -5.267 7.611 13.103 1.00 0.00 O ATOM 0 H GLU A 58 -3.672 7.425 8.676 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.482 7.938 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.386 9.338 9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.079 9.787 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.764 7.982 11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.512 6.927 10.407 1.00 0.00 H new ATOM 823 N ILE A 59 -4.239 9.303 6.428 1.00 0.00 N ATOM 824 CA ILE A 59 -3.926 10.252 5.360 1.00 0.00 C ATOM 825 C ILE A 59 -4.335 9.673 4.021 1.00 0.00 C ATOM 826 O ILE A 59 -4.762 10.382 3.111 1.00 0.00 O ATOM 827 CB ILE A 59 -2.419 10.561 5.288 1.00 0.00 C ATOM 828 CG1 ILE A 59 -2.031 11.550 6.370 1.00 0.00 C ATOM 829 CG2 ILE A 59 -2.030 11.111 3.920 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.629 11.351 6.873 1.00 0.00 C ATOM 0 H ILE A 59 -3.591 8.518 6.493 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.472 11.169 5.581 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.881 9.626 5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.131 12.563 5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.727 11.459 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.960 11.319 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.270 10.377 3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.582 12.031 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.411 12.089 7.645 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.531 10.349 7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.074 11.471 6.048 1.00 0.00 H new ATOM 842 N VAL A 60 -4.155 8.371 3.919 1.00 0.00 N ATOM 843 CA VAL A 60 -4.449 7.642 2.709 1.00 0.00 C ATOM 844 C VAL A 60 -5.910 7.240 2.682 1.00 0.00 C ATOM 845 O VAL A 60 -6.567 7.292 1.642 1.00 0.00 O ATOM 846 CB VAL A 60 -3.538 6.415 2.632 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.726 5.673 1.320 1.00 0.00 C ATOM 848 CG2 VAL A 60 -2.083 6.848 2.838 1.00 0.00 C ATOM 0 H VAL A 60 -3.799 7.790 4.678 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.263 8.275 1.841 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.808 5.718 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.066 4.806 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.761 5.343 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.486 6.337 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.432 5.975 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.802 7.559 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.978 7.318 3.816 1.00 0.00 H new ATOM 858 N GLY A 61 -6.422 6.879 3.848 1.00 0.00 N ATOM 859 CA GLY A 61 -7.825 6.518 3.953 1.00 0.00 C ATOM 860 C GLY A 61 -8.130 5.096 3.530 1.00 0.00 C ATOM 861 O GLY A 61 -8.526 4.855 2.389 1.00 0.00 O ATOM 0 H GLY A 61 -5.897 6.829 4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.149 6.656 4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.412 7.202 3.340 1.00 0.00 H new ATOM 865 N GLU A 62 -7.957 4.150 4.446 1.00 0.00 N ATOM 866 CA GLU A 62 -8.229 2.760 4.153 1.00 0.00 C ATOM 867 C GLU A 62 -9.576 2.633 3.461 1.00 0.00 C ATOM 868 O GLU A 62 -10.520 3.367 3.754 1.00 0.00 O ATOM 869 CB GLU A 62 -8.220 1.930 5.439 1.00 0.00 C ATOM 870 CG GLU A 62 -6.866 1.317 5.759 1.00 0.00 C ATOM 871 CD GLU A 62 -6.975 -0.115 6.244 1.00 0.00 C ATOM 872 OE1 GLU A 62 -8.085 -0.523 6.648 1.00 0.00 O ATOM 873 OE2 GLU A 62 -5.951 -0.829 6.221 1.00 0.00 O ATOM 0 H GLU A 62 -7.629 4.327 5.396 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.449 2.383 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.529 2.562 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.959 1.133 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.237 1.349 4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.370 1.918 6.521 1.00 0.00 H new ATOM 880 N ALA A 63 -9.637 1.710 2.526 1.00 0.00 N ATOM 881 CA ALA A 63 -10.844 1.471 1.743 1.00 0.00 C ATOM 882 C ALA A 63 -12.079 1.340 2.619 1.00 0.00 C ATOM 883 O ALA A 63 -12.046 1.601 3.822 1.00 0.00 O ATOM 884 CB ALA A 63 -10.695 0.218 0.896 1.00 0.00 C ATOM 0 H ALA A 63 -8.856 1.101 2.282 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.975 2.339 1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.606 0.058 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.852 0.337 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.520 -0.641 1.544 1.00 0.00 H new ATOM 890 N ASN A 64 -13.168 0.926 1.987 1.00 0.00 N ATOM 891 CA ASN A 64 -14.432 0.736 2.647 1.00 0.00 C ATOM 892 C ASN A 64 -14.516 -0.661 3.237 1.00 0.00 C ATOM 893 O ASN A 64 -13.640 -1.502 3.031 1.00 0.00 O ATOM 894 CB ASN A 64 -15.572 0.950 1.641 1.00 0.00 C ATOM 895 CG ASN A 64 -15.259 0.375 0.272 1.00 0.00 C ATOM 896 OD1 ASN A 64 -14.678 -0.704 0.158 1.00 0.00 O ATOM 897 ND2 ASN A 64 -15.647 1.095 -0.774 1.00 0.00 N ATOM 0 H ASN A 64 -13.189 0.713 0.990 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.522 1.460 3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.482 0.489 2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.772 2.017 1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.466 0.759 -1.720 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.126 1.984 -0.632 1.00 0.00 H new ATOM 904 N PRO A 65 -15.589 -0.911 3.975 1.00 0.00 N ATOM 905 CA PRO A 65 -15.857 -2.192 4.621 1.00 0.00 C ATOM 906 C PRO A 65 -16.331 -3.248 3.624 1.00 0.00 C ATOM 907 O PRO A 65 -16.752 -4.337 4.014 1.00 0.00 O ATOM 908 CB PRO A 65 -16.973 -1.861 5.629 1.00 0.00 C ATOM 909 CG PRO A 65 -17.133 -0.370 5.584 1.00 0.00 C ATOM 910 CD PRO A 65 -16.636 0.058 4.237 1.00 0.00 C ATOM 0 HA PRO A 65 -14.964 -2.613 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.903 -2.363 5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.707 -2.196 6.632 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.176 -0.085 5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -16.562 0.108 6.380 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.422 0.022 3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.253 1.078 4.250 1.00 0.00 H new ATOM 918 N ASP A 66 -16.252 -2.922 2.333 1.00 0.00 N ATOM 919 CA ASP A 66 -16.667 -3.847 1.286 1.00 0.00 C ATOM 920 C ASP A 66 -15.493 -4.708 0.846 1.00 0.00 C ATOM 921 O ASP A 66 -15.577 -5.935 0.837 1.00 0.00 O ATOM 922 CB ASP A 66 -17.232 -3.079 0.089 1.00 0.00 C ATOM 923 CG ASP A 66 -18.734 -2.886 0.179 1.00 0.00 C ATOM 924 OD1 ASP A 66 -19.451 -3.889 0.386 1.00 0.00 O ATOM 925 OD2 ASP A 66 -19.194 -1.732 0.042 1.00 0.00 O ATOM 0 H ASP A 66 -15.905 -2.026 1.991 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.447 -4.494 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.747 -2.105 0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.992 -3.616 -0.829 1.00 0.00 H new ATOM 930 N GLU A 67 -14.393 -4.053 0.488 1.00 0.00 N ATOM 931 CA GLU A 67 -13.194 -4.760 0.056 1.00 0.00 C ATOM 932 C GLU A 67 -12.578 -5.523 1.223 1.00 0.00 C ATOM 933 O GLU A 67 -11.811 -6.466 1.028 1.00 0.00 O ATOM 934 CB GLU A 67 -12.176 -3.778 -0.527 1.00 0.00 C ATOM 935 CG GLU A 67 -11.788 -2.662 0.429 1.00 0.00 C ATOM 936 CD GLU A 67 -10.789 -3.114 1.476 1.00 0.00 C ATOM 937 OE1 GLU A 67 -10.294 -4.256 1.370 1.00 0.00 O ATOM 938 OE2 GLU A 67 -10.503 -2.326 2.402 1.00 0.00 O ATOM 0 H GLU A 67 -14.308 -3.037 0.489 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.475 -5.473 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.279 -4.326 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.587 -3.339 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.365 -1.833 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.683 -2.285 0.924 1.00 0.00 H new ATOM 945 N ASN A 68 -12.924 -5.108 2.437 1.00 0.00 N ATOM 946 CA ASN A 68 -12.412 -5.750 3.642 1.00 0.00 C ATOM 947 C ASN A 68 -13.284 -6.942 4.034 1.00 0.00 C ATOM 948 O ASN A 68 -12.827 -7.859 4.715 1.00 0.00 O ATOM 949 CB ASN A 68 -12.342 -4.732 4.788 1.00 0.00 C ATOM 950 CG ASN A 68 -12.462 -5.372 6.160 1.00 0.00 C ATOM 951 OD1 ASN A 68 -11.674 -6.414 6.398 1.00 0.00 O flip ATOM 952 ND2 ASN A 68 -13.254 -4.934 6.995 1.00 0.00 N flip ATOM 0 H ASN A 68 -13.558 -4.329 2.613 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.407 -6.121 3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.398 -4.190 4.728 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.139 -3.999 4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.841 -4.131 6.769 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.323 -5.374 7.912 1.00 0.00 H new ATOM 959 N ASP A 69 -14.541 -6.921 3.601 1.00 0.00 N ATOM 960 CA ASP A 69 -15.474 -8.001 3.909 1.00 0.00 C ATOM 961 C ASP A 69 -15.193 -9.227 3.047 1.00 0.00 C ATOM 962 O ASP A 69 -15.046 -10.337 3.558 1.00 0.00 O ATOM 963 CB ASP A 69 -16.916 -7.538 3.701 1.00 0.00 C ATOM 964 CG ASP A 69 -17.870 -8.152 4.708 1.00 0.00 C ATOM 965 OD1 ASP A 69 -17.882 -9.395 4.834 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.605 -7.390 5.371 1.00 0.00 O ATOM 0 H ASP A 69 -14.937 -6.169 3.037 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.336 -8.275 4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.961 -6.452 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.237 -7.800 2.693 1.00 0.00 H new ATOM 971 N LEU A 70 -15.122 -9.018 1.736 1.00 0.00 N ATOM 972 CA LEU A 70 -14.859 -10.106 0.804 1.00 0.00 C ATOM 973 C LEU A 70 -13.548 -10.808 1.141 1.00 0.00 C ATOM 974 O LEU A 70 -13.392 -12.004 0.899 1.00 0.00 O ATOM 975 CB LEU A 70 -14.812 -9.575 -0.629 1.00 0.00 C ATOM 976 CG LEU A 70 -13.490 -8.921 -1.032 1.00 0.00 C ATOM 977 CD1 LEU A 70 -12.655 -9.878 -1.868 1.00 0.00 C ATOM 978 CD2 LEU A 70 -13.746 -7.628 -1.793 1.00 0.00 C ATOM 0 H LEU A 70 -15.243 -8.106 1.297 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.669 -10.830 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.016 -10.399 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.614 -8.848 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.933 -8.682 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.718 -9.396 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.443 -10.777 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.205 -10.148 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.794 -7.176 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.323 -7.843 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.304 -6.938 -1.160 1.00 0.00 H new ATOM 990 N LEU A 71 -12.607 -10.054 1.700 1.00 0.00 N ATOM 991 CA LEU A 71 -11.308 -10.603 2.071 1.00 0.00 C ATOM 992 C LEU A 71 -11.367 -11.263 3.445 1.00 0.00 C ATOM 993 O LEU A 71 -10.576 -12.157 3.750 1.00 0.00 O ATOM 994 CB LEU A 71 -10.245 -9.503 2.065 1.00 0.00 C ATOM 995 CG LEU A 71 -9.183 -9.635 0.973 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.045 -8.654 1.210 1.00 0.00 C ATOM 997 CD2 LEU A 71 -8.658 -11.061 0.914 1.00 0.00 C ATOM 0 H LEU A 71 -12.720 -9.061 1.906 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.040 -11.362 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.742 -8.539 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.748 -9.494 3.035 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.643 -9.397 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.300 -8.764 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.434 -7.636 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.584 -8.858 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.903 -11.139 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.215 -11.325 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.480 -11.742 0.694 1.00 0.00 H new ATOM 1009 N GLN A 72 -12.310 -10.818 4.269 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.473 -11.368 5.611 1.00 0.00 C ATOM 1011 C GLN A 72 -12.971 -12.807 5.553 1.00 0.00 C ATOM 1012 O GLN A 72 -12.471 -13.679 6.264 1.00 0.00 O ATOM 1013 CB GLN A 72 -13.451 -10.513 6.421 1.00 0.00 C ATOM 1014 CG GLN A 72 -12.851 -9.211 6.926 1.00 0.00 C ATOM 1015 CD GLN A 72 -12.684 -9.192 8.434 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -13.746 -9.545 9.151 1.00 0.00 O flip ATOM 1017 NE2 GLN A 72 -11.615 -8.865 8.947 1.00 0.00 N flip ATOM 0 H GLN A 72 -12.972 -10.079 4.032 1.00 0.00 H new ATOM 0 HA GLN A 72 -11.499 -11.358 6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.320 -10.287 5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.808 -11.093 7.272 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.881 -9.056 6.455 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.489 -8.380 6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.826 -8.601 8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.518 -8.857 9.962 1.00 0.00 H new ATOM 1026 N SER A 73 -13.961 -13.051 4.700 1.00 0.00 N ATOM 1027 CA SER A 73 -14.530 -14.384 4.547 1.00 0.00 C ATOM 1028 C SER A 73 -13.434 -15.425 4.345 1.00 0.00 C ATOM 1029 O SER A 73 -13.625 -16.605 4.636 1.00 0.00 O ATOM 1030 CB SER A 73 -15.500 -14.412 3.364 1.00 0.00 C ATOM 1031 OG SER A 73 -16.652 -15.181 3.666 1.00 0.00 O ATOM 0 H SER A 73 -14.386 -12.341 4.104 1.00 0.00 H new ATOM 0 HA SER A 73 -15.072 -14.628 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.795 -13.395 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.000 -14.829 2.490 1.00 0.00 H new ATOM 0 HG SER A 73 -17.256 -15.182 2.895 1.00 0.00 H new ATOM 1037 N THR A 74 -12.286 -14.981 3.845 1.00 0.00 N ATOM 1038 CA THR A 74 -11.161 -15.877 3.604 1.00 0.00 C ATOM 1039 C THR A 74 -10.603 -16.416 4.916 1.00 0.00 C ATOM 1040 O THR A 74 -10.585 -17.625 5.145 1.00 0.00 O ATOM 1041 CB THR A 74 -10.061 -15.151 2.826 1.00 0.00 C ATOM 1042 OG1 THR A 74 -9.375 -14.237 3.663 1.00 0.00 O ATOM 1043 CG2 THR A 74 -10.582 -14.378 1.635 1.00 0.00 C ATOM 0 H THR A 74 -12.110 -14.007 3.599 1.00 0.00 H new ATOM 0 HA THR A 74 -11.520 -16.719 3.011 1.00 0.00 H new ATOM 0 HB THR A 74 -9.395 -15.936 2.467 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.867 -13.390 3.695 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.751 -13.887 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.075 -15.062 0.945 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.296 -13.627 1.973 1.00 0.00 H new ATOM 1051 N GLY A 75 -10.146 -15.510 5.776 1.00 0.00 N ATOM 1052 CA GLY A 75 -9.594 -15.916 7.056 1.00 0.00 C ATOM 1053 C GLY A 75 -8.185 -15.398 7.269 1.00 0.00 C ATOM 1054 O GLY A 75 -7.395 -16.009 7.991 1.00 0.00 O ATOM 0 H GLY A 75 -10.148 -14.504 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.237 -15.552 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.591 -17.004 7.119 1.00 0.00 H new ATOM 1058 N GLU A 76 -7.868 -14.271 6.640 1.00 0.00 N ATOM 1059 CA GLU A 76 -6.544 -13.670 6.763 1.00 0.00 C ATOM 1060 C GLU A 76 -6.556 -12.525 7.773 1.00 0.00 C ATOM 1061 O GLU A 76 -7.500 -11.736 7.822 1.00 0.00 O ATOM 1062 CB GLU A 76 -6.066 -13.161 5.404 1.00 0.00 C ATOM 1063 CG GLU A 76 -5.349 -14.214 4.576 1.00 0.00 C ATOM 1064 CD GLU A 76 -3.846 -14.188 4.776 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -3.318 -13.125 5.166 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -3.197 -15.229 4.542 1.00 0.00 O ATOM 0 H GLU A 76 -8.510 -13.755 6.039 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.856 -14.437 7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.924 -12.791 4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.397 -12.314 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.730 -15.200 4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.574 -14.057 3.521 1.00 0.00 H new ATOM 1073 N PRO A 77 -5.500 -12.423 8.594 1.00 0.00 N ATOM 1074 CA PRO A 77 -5.382 -11.371 9.610 1.00 0.00 C ATOM 1075 C PRO A 77 -5.533 -9.973 9.019 1.00 0.00 C ATOM 1076 O PRO A 77 -5.772 -9.817 7.822 1.00 0.00 O ATOM 1077 CB PRO A 77 -3.967 -11.562 10.163 1.00 0.00 C ATOM 1078 CG PRO A 77 -3.636 -12.986 9.881 1.00 0.00 C ATOM 1079 CD PRO A 77 -4.338 -13.329 8.596 1.00 0.00 C ATOM 0 HA PRO A 77 -6.164 -11.450 10.365 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.259 -10.888 9.680 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.928 -11.351 11.232 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.559 -13.125 9.786 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.970 -13.632 10.693 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.697 -13.163 7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.643 -14.375 8.571 1.00 0.00 H new ATOM 1087 N MET A 78 -5.389 -8.960 9.867 1.00 0.00 N ATOM 1088 CA MET A 78 -5.506 -7.574 9.429 1.00 0.00 C ATOM 1089 C MET A 78 -4.816 -6.633 10.410 1.00 0.00 C ATOM 1090 O MET A 78 -5.090 -6.659 11.609 1.00 0.00 O ATOM 1091 CB MET A 78 -6.977 -7.184 9.282 1.00 0.00 C ATOM 1092 CG MET A 78 -7.653 -7.809 8.075 1.00 0.00 C ATOM 1093 SD MET A 78 -9.295 -7.132 7.774 1.00 0.00 S ATOM 1094 CE MET A 78 -8.884 -5.610 6.922 1.00 0.00 C ATOM 0 H MET A 78 -5.191 -9.073 10.861 1.00 0.00 H new ATOM 0 HA MET A 78 -5.015 -7.485 8.460 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.515 -7.480 10.183 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.051 -6.099 9.208 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.032 -7.652 7.193 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.730 -8.886 8.223 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.564 -4.820 7.240 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.860 -5.325 7.161 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.978 -5.758 5.846 1.00 0.00 H new ATOM 1104 N THR A 79 -3.919 -5.802 9.889 1.00 0.00 N ATOM 1105 CA THR A 79 -3.188 -4.849 10.717 1.00 0.00 C ATOM 1106 C THR A 79 -3.616 -3.420 10.404 1.00 0.00 C ATOM 1107 O THR A 79 -4.547 -3.196 9.630 1.00 0.00 O ATOM 1108 CB THR A 79 -1.683 -5.005 10.498 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.397 -5.209 9.127 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.080 -6.160 11.269 1.00 0.00 C ATOM 0 H THR A 79 -3.681 -5.769 8.898 1.00 0.00 H new ATOM 0 HA THR A 79 -3.419 -5.057 11.762 1.00 0.00 H new ATOM 0 HB THR A 79 -1.241 -4.078 10.862 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.473 -4.941 8.942 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.010 -6.213 11.068 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.241 -6.009 12.336 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.554 -7.091 10.959 1.00 0.00 H new ATOM 1118 N ALA A 80 -2.934 -2.455 11.011 1.00 0.00 N ATOM 1119 CA ALA A 80 -3.247 -1.048 10.795 1.00 0.00 C ATOM 1120 C ALA A 80 -2.675 -0.553 9.472 1.00 0.00 C ATOM 1121 O ALA A 80 -1.494 -0.745 9.183 1.00 0.00 O ATOM 1122 CB ALA A 80 -2.720 -0.208 11.947 1.00 0.00 C ATOM 0 H ALA A 80 -2.162 -2.622 11.656 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.331 -0.946 10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.961 0.841 11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.182 -0.536 12.878 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.639 -0.325 12.018 1.00 0.00 H new ATOM 1128 N GLY A 81 -3.521 0.086 8.674 1.00 0.00 N ATOM 1129 CA GLY A 81 -3.086 0.603 7.391 1.00 0.00 C ATOM 1130 C GLY A 81 -3.016 -0.470 6.321 1.00 0.00 C ATOM 1131 O GLY A 81 -2.591 -0.205 5.196 1.00 0.00 O ATOM 0 H GLY A 81 -4.503 0.256 8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.771 1.387 7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.104 1.063 7.503 1.00 0.00 H new ATOM 1135 N THR A 82 -3.431 -1.682 6.671 1.00 0.00 N ATOM 1136 CA THR A 82 -3.412 -2.797 5.732 1.00 0.00 C ATOM 1137 C THR A 82 -4.610 -2.743 4.787 1.00 0.00 C ATOM 1138 O THR A 82 -5.746 -2.987 5.196 1.00 0.00 O ATOM 1139 CB THR A 82 -3.407 -4.123 6.494 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.043 -3.924 7.848 1.00 0.00 O ATOM 1141 CG2 THR A 82 -2.453 -5.142 5.911 1.00 0.00 C ATOM 0 H THR A 82 -3.785 -1.917 7.598 1.00 0.00 H new ATOM 0 HA THR A 82 -2.504 -2.721 5.134 1.00 0.00 H new ATOM 0 HB THR A 82 -4.424 -4.507 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.265 -4.480 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.498 -6.060 6.498 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.735 -5.356 4.880 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.438 -4.745 5.935 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.348 -2.426 3.523 1.00 0.00 N ATOM 1150 CA ARG A 83 -5.405 -2.345 2.519 1.00 0.00 C ATOM 1151 C ARG A 83 -4.814 -2.271 1.115 1.00 0.00 C ATOM 1152 O ARG A 83 -3.670 -1.857 0.932 1.00 0.00 O ATOM 1153 CB ARG A 83 -6.294 -1.126 2.776 1.00 0.00 C ATOM 1154 CG ARG A 83 -7.408 -0.960 1.753 1.00 0.00 C ATOM 1155 CD ARG A 83 -6.998 -0.034 0.615 1.00 0.00 C ATOM 1156 NE ARG A 83 -7.033 1.376 1.004 1.00 0.00 N ATOM 1157 CZ ARG A 83 -5.981 2.047 1.465 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -4.805 1.445 1.599 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -6.103 3.327 1.791 1.00 0.00 N ATOM 0 H ARG A 83 -3.414 -2.221 3.169 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.012 -3.248 2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.734 -1.210 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.675 -0.229 2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.678 -1.935 1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.296 -0.561 2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.992 -0.292 0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.663 -0.190 -0.235 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.918 1.875 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.704 0.462 1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.003 1.966 1.953 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.003 3.796 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.297 3.842 2.145 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.607 -2.674 0.127 1.00 0.00 N ATOM 1174 CA LEU A 84 -5.169 -2.652 -1.263 1.00 0.00 C ATOM 1175 C LEU A 84 -4.682 -1.261 -1.655 1.00 0.00 C ATOM 1176 O LEU A 84 -5.476 -0.392 -2.015 1.00 0.00 O ATOM 1177 CB LEU A 84 -6.314 -3.086 -2.182 1.00 0.00 C ATOM 1178 CG LEU A 84 -7.286 -4.098 -1.571 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -8.487 -3.387 -0.969 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -7.732 -5.107 -2.615 1.00 0.00 C ATOM 0 H LEU A 84 -6.557 -3.020 0.264 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.339 -3.350 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.875 -2.201 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.889 -3.515 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.769 -4.634 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.167 -4.122 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.152 -2.703 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.004 -2.825 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.423 -5.818 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.231 -4.588 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.863 -5.640 -3.000 1.00 0.00 H new ATOM 1192 N SER A 85 -3.370 -1.058 -1.579 1.00 0.00 N ATOM 1193 CA SER A 85 -2.773 0.227 -1.920 1.00 0.00 C ATOM 1194 C SER A 85 -2.952 0.541 -3.402 1.00 0.00 C ATOM 1195 O SER A 85 -3.141 1.698 -3.782 1.00 0.00 O ATOM 1196 CB SER A 85 -1.286 0.230 -1.564 1.00 0.00 C ATOM 1197 OG SER A 85 -0.532 -0.497 -2.517 1.00 0.00 O ATOM 0 H SER A 85 -2.700 -1.768 -1.284 1.00 0.00 H new ATOM 0 HA SER A 85 -3.283 0.998 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.923 1.257 -1.515 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.145 -0.206 -0.575 1.00 0.00 H new ATOM 0 HG SER A 85 0.370 -0.118 -2.579 1.00 0.00 H new ATOM 1203 N CYS A 86 -2.891 -0.491 -4.239 1.00 0.00 N ATOM 1204 CA CYS A 86 -3.049 -0.311 -5.676 1.00 0.00 C ATOM 1205 C CYS A 86 -4.347 0.429 -5.981 1.00 0.00 C ATOM 1206 O CYS A 86 -4.477 1.084 -7.013 1.00 0.00 O ATOM 1207 CB CYS A 86 -3.041 -1.665 -6.395 1.00 0.00 C ATOM 1208 SG CYS A 86 -4.682 -2.454 -6.529 1.00 0.00 S ATOM 0 H CYS A 86 -2.734 -1.456 -3.947 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.209 0.283 -6.037 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.633 -1.529 -7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.368 -2.340 -5.866 1.00 0.00 H new ATOM 1213 N GLN A 87 -5.311 0.303 -5.075 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.608 0.942 -5.244 1.00 0.00 C ATOM 1215 C GLN A 87 -6.579 2.404 -4.813 1.00 0.00 C ATOM 1216 O GLN A 87 -7.549 3.132 -5.023 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.678 0.190 -4.451 1.00 0.00 C ATOM 1218 CG GLN A 87 -9.084 0.387 -4.992 1.00 0.00 C ATOM 1219 CD GLN A 87 -10.135 0.389 -3.900 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -10.460 1.435 -3.336 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -10.674 -0.786 -3.597 1.00 0.00 N ATOM 0 H GLN A 87 -5.217 -0.237 -4.215 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.852 0.909 -6.306 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.441 -0.874 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.648 0.519 -3.412 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.130 1.330 -5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.309 -0.406 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.374 -1.627 -4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.388 -0.848 -2.871 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.471 2.842 -4.219 1.00 0.00 N ATOM 1231 CA VAL A 88 -5.356 4.216 -3.785 1.00 0.00 C ATOM 1232 C VAL A 88 -4.353 4.958 -4.649 1.00 0.00 C ATOM 1233 O VAL A 88 -3.550 4.340 -5.342 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.918 4.299 -2.319 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -4.566 5.728 -1.969 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -6.006 3.760 -1.405 1.00 0.00 C ATOM 0 H VAL A 88 -4.651 2.265 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.338 4.678 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.031 3.681 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.255 5.781 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.751 6.069 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.437 6.365 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.677 3.827 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.915 4.347 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.208 2.718 -1.655 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.401 6.282 -4.625 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.480 7.056 -5.437 1.00 0.00 C ATOM 1248 C PHE A 89 -3.153 8.411 -4.842 1.00 0.00 C ATOM 1249 O PHE A 89 -3.996 9.084 -4.249 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.044 7.202 -6.836 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.412 5.873 -7.399 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -5.671 5.343 -7.176 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -3.487 5.140 -8.124 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -6.010 4.097 -7.672 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -3.816 3.891 -8.627 1.00 0.00 C ATOM 1256 CZ PHE A 89 -5.081 3.368 -8.401 1.00 0.00 C ATOM 0 H PHE A 89 -5.053 6.831 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.537 6.511 -5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.922 7.848 -6.814 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.309 7.684 -7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.396 5.908 -6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.501 5.545 -8.299 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.995 3.693 -7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.090 3.327 -9.193 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.342 2.396 -8.792 1.00 0.00 H new ATOM 1266 N ILE A 90 -1.897 8.783 -5.017 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.361 10.033 -4.532 1.00 0.00 C ATOM 1268 C ILE A 90 -2.258 11.226 -4.859 1.00 0.00 C ATOM 1269 O ILE A 90 -3.131 11.155 -5.724 1.00 0.00 O ATOM 1270 CB ILE A 90 0.039 10.224 -5.133 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.971 9.158 -4.569 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.600 11.599 -4.846 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.797 9.650 -3.397 1.00 0.00 C ATOM 0 H ILE A 90 -1.212 8.210 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.307 9.987 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.041 10.127 -6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.381 8.298 -4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.640 8.814 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.591 11.688 -5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.058 12.357 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.671 11.745 -3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.440 8.845 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.412 10.492 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.134 9.968 -2.592 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.032 12.314 -4.134 1.00 0.00 N ATOM 1286 CA ASP A 91 -2.776 13.542 -4.269 1.00 0.00 C ATOM 1287 C ASP A 91 -2.250 14.464 -3.178 1.00 0.00 C ATOM 1288 O ASP A 91 -1.502 14.005 -2.318 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.279 13.248 -4.092 1.00 0.00 C ATOM 1290 CG ASP A 91 -4.809 13.613 -2.714 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -5.061 14.813 -2.472 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -4.972 12.698 -1.879 1.00 0.00 O ATOM 0 H ASP A 91 -1.305 12.359 -3.420 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.656 14.004 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.840 13.799 -4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.458 12.188 -4.273 1.00 0.00 H new ATOM 1297 N PRO A 92 -2.608 15.748 -3.163 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.144 16.680 -2.127 1.00 0.00 C ATOM 1299 C PRO A 92 -2.686 16.290 -0.752 1.00 0.00 C ATOM 1300 O PRO A 92 -3.176 17.125 0.008 1.00 0.00 O ATOM 1301 CB PRO A 92 -2.703 18.034 -2.589 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.044 17.829 -4.029 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.475 16.398 -4.133 1.00 0.00 C ATOM 0 HA PRO A 92 -1.060 16.689 -2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.582 18.319 -2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.968 18.829 -2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.840 18.503 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.185 18.029 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.529 16.271 -3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.332 16.001 -5.138 1.00 0.00 H new ATOM 1311 N SER A 93 -2.592 14.995 -0.467 1.00 0.00 N ATOM 1312 CA SER A 93 -3.056 14.410 0.777 1.00 0.00 C ATOM 1313 C SER A 93 -2.088 13.315 1.227 1.00 0.00 C ATOM 1314 O SER A 93 -1.808 13.161 2.415 1.00 0.00 O ATOM 1315 CB SER A 93 -4.438 13.800 0.560 1.00 0.00 C ATOM 1316 OG SER A 93 -4.355 12.391 0.438 1.00 0.00 O ATOM 0 H SER A 93 -2.184 14.315 -1.108 1.00 0.00 H new ATOM 0 HA SER A 93 -3.107 15.184 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.089 14.059 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.889 14.221 -0.339 1.00 0.00 H new ATOM 0 HG SER A 93 -4.347 12.145 -0.511 1.00 0.00 H new ATOM 1322 N MET A 94 -1.583 12.561 0.248 1.00 0.00 N ATOM 1323 CA MET A 94 -0.647 11.473 0.488 1.00 0.00 C ATOM 1324 C MET A 94 0.716 11.841 -0.070 1.00 0.00 C ATOM 1325 O MET A 94 1.379 11.030 -0.717 1.00 0.00 O ATOM 1326 CB MET A 94 -1.153 10.201 -0.191 1.00 0.00 C ATOM 1327 CG MET A 94 -2.330 9.554 0.518 1.00 0.00 C ATOM 1328 SD MET A 94 -3.247 8.431 -0.552 1.00 0.00 S ATOM 1329 CE MET A 94 -1.922 7.398 -1.173 1.00 0.00 C ATOM 0 H MET A 94 -1.816 12.693 -0.736 1.00 0.00 H new ATOM 0 HA MET A 94 -0.563 11.300 1.561 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.443 10.438 -1.215 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.336 9.482 -0.249 1.00 0.00 H new ATOM 0 HG2 MET A 94 -1.969 9.007 1.389 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.001 10.331 0.884 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.280 6.374 -1.282 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.592 7.773 -2.142 1.00 0.00 H new ATOM 0 HE3 MET A 94 -1.087 7.418 -0.473 1.00 0.00 H new ATOM 1339 N ASP A 95 1.118 13.076 0.175 1.00 0.00 N ATOM 1340 CA ASP A 95 2.373 13.577 -0.297 1.00 0.00 C ATOM 1341 C ASP A 95 3.444 13.314 0.738 1.00 0.00 C ATOM 1342 O ASP A 95 3.305 13.705 1.894 1.00 0.00 O ATOM 1343 CB ASP A 95 2.244 15.072 -0.607 1.00 0.00 C ATOM 1344 CG ASP A 95 0.825 15.466 -0.960 1.00 0.00 C ATOM 1345 OD1 ASP A 95 0.433 15.273 -2.129 1.00 0.00 O ATOM 1346 OD2 ASP A 95 0.107 15.967 -0.069 1.00 0.00 O ATOM 0 H ASP A 95 0.573 13.752 0.710 1.00 0.00 H new ATOM 0 HA ASP A 95 2.659 13.066 -1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.575 15.650 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.906 15.328 -1.434 1.00 0.00 H new ATOM 1351 N GLY A 96 4.486 12.605 0.337 1.00 0.00 N ATOM 1352 CA GLY A 96 5.514 12.259 1.283 1.00 0.00 C ATOM 1353 C GLY A 96 5.035 11.105 2.120 1.00 0.00 C ATOM 1354 O GLY A 96 5.406 10.967 3.280 1.00 0.00 O ATOM 0 H GLY A 96 4.635 12.268 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.432 11.991 0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.746 13.114 1.917 1.00 0.00 H new ATOM 1358 N LEU A 97 4.157 10.299 1.514 1.00 0.00 N ATOM 1359 CA LEU A 97 3.550 9.161 2.184 1.00 0.00 C ATOM 1360 C LEU A 97 4.529 8.026 2.409 1.00 0.00 C ATOM 1361 O LEU A 97 5.525 7.884 1.706 1.00 0.00 O ATOM 1362 CB LEU A 97 2.328 8.672 1.404 1.00 0.00 C ATOM 1363 CG LEU A 97 2.571 7.491 0.465 1.00 0.00 C ATOM 1364 CD1 LEU A 97 1.934 6.230 1.025 1.00 0.00 C ATOM 1365 CD2 LEU A 97 2.020 7.803 -0.919 1.00 0.00 C ATOM 0 H LEU A 97 3.853 10.423 0.548 1.00 0.00 H new ATOM 0 HA LEU A 97 3.233 9.503 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.553 8.392 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.937 9.504 0.818 1.00 0.00 H new ATOM 0 HG LEU A 97 3.645 7.322 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.116 5.398 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.369 6.004 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.860 6.382 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.198 6.956 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.949 7.991 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.518 8.686 -1.318 1.00 0.00 H new ATOM 1377 N ILE A 98 4.239 7.232 3.421 1.00 0.00 N ATOM 1378 CA ILE A 98 5.092 6.117 3.779 1.00 0.00 C ATOM 1379 C ILE A 98 4.357 4.805 3.660 1.00 0.00 C ATOM 1380 O ILE A 98 3.331 4.591 4.305 1.00 0.00 O ATOM 1381 CB ILE A 98 5.645 6.251 5.207 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.409 7.559 5.355 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.527 5.067 5.561 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.535 8.749 5.085 1.00 0.00 C ATOM 0 H ILE A 98 3.415 7.340 4.012 1.00 0.00 H new ATOM 0 HA ILE A 98 5.926 6.132 3.077 1.00 0.00 H new ATOM 0 HB ILE A 98 4.805 6.260 5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.817 7.629 6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.255 7.566 4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.906 5.186 6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.945 4.148 5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.364 5.016 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.118 9.663 5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.148 8.693 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.704 8.757 5.790 1.00 0.00 H new ATOM 1396 N VAL A 99 4.891 3.927 2.837 1.00 0.00 N ATOM 1397 CA VAL A 99 4.296 2.636 2.641 1.00 0.00 C ATOM 1398 C VAL A 99 5.097 1.546 3.319 1.00 0.00 C ATOM 1399 O VAL A 99 6.132 1.820 3.902 1.00 0.00 O ATOM 1400 CB VAL A 99 4.139 2.293 1.170 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.857 1.522 1.014 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.142 3.548 0.307 1.00 0.00 C ATOM 0 H VAL A 99 5.739 4.091 2.295 1.00 0.00 H new ATOM 0 HA VAL A 99 3.306 2.691 3.093 1.00 0.00 H new ATOM 0 HB VAL A 99 4.981 1.688 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.715 1.260 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.905 0.612 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.021 2.134 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.028 3.269 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.316 4.195 0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.084 4.079 0.441 1.00 0.00 H new ATOM 1412 N ARG A 100 4.607 0.313 3.230 1.00 0.00 N ATOM 1413 CA ARG A 100 5.279 -0.840 3.828 1.00 0.00 C ATOM 1414 C ARG A 100 4.758 -2.137 3.213 1.00 0.00 C ATOM 1415 O ARG A 100 3.652 -2.178 2.674 1.00 0.00 O ATOM 1416 CB ARG A 100 5.070 -0.891 5.348 1.00 0.00 C ATOM 1417 CG ARG A 100 4.991 0.468 6.023 1.00 0.00 C ATOM 1418 CD ARG A 100 4.922 0.326 7.537 1.00 0.00 C ATOM 1419 NE ARG A 100 6.047 0.987 8.199 1.00 0.00 N ATOM 1420 CZ ARG A 100 7.122 0.353 8.668 1.00 0.00 C ATOM 1421 NH1 ARG A 100 7.227 -0.969 8.577 1.00 0.00 N ATOM 1422 NH2 ARG A 100 8.101 1.047 9.233 1.00 0.00 N ATOM 0 H ARG A 100 3.739 0.084 2.745 1.00 0.00 H new ATOM 0 HA ARG A 100 6.345 -0.733 3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.151 -1.439 5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.888 -1.457 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.862 1.064 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.113 1.005 5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.986 0.752 7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.915 -0.731 7.803 1.00 0.00 H new ATOM 0 HE ARG A 100 6.006 2.000 8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.479 -1.511 8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.055 -1.441 8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.030 2.062 9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.925 0.566 9.593 1.00 0.00 H new ATOM 1436 N VAL A 101 5.553 -3.199 3.306 1.00 0.00 N ATOM 1437 CA VAL A 101 5.158 -4.495 2.768 1.00 0.00 C ATOM 1438 C VAL A 101 5.019 -5.524 3.886 1.00 0.00 C ATOM 1439 O VAL A 101 5.964 -5.772 4.635 1.00 0.00 O ATOM 1440 CB VAL A 101 6.170 -5.013 1.730 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.714 -6.348 1.162 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.369 -3.993 0.620 1.00 0.00 C ATOM 0 H VAL A 101 6.472 -3.187 3.748 1.00 0.00 H new ATOM 0 HA VAL A 101 4.195 -4.355 2.276 1.00 0.00 H new ATOM 0 HB VAL A 101 7.128 -5.163 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.441 -6.699 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.630 -7.077 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.744 -6.226 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.088 -4.378 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.417 -3.807 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.745 -3.062 1.044 1.00 0.00 H new ATOM 1452 N PRO A 102 3.832 -6.136 4.015 1.00 0.00 N ATOM 1453 CA PRO A 102 3.565 -7.138 5.051 1.00 0.00 C ATOM 1454 C PRO A 102 4.270 -8.462 4.783 1.00 0.00 C ATOM 1455 O PRO A 102 5.008 -8.603 3.809 1.00 0.00 O ATOM 1456 CB PRO A 102 2.049 -7.319 4.984 1.00 0.00 C ATOM 1457 CG PRO A 102 1.697 -6.978 3.579 1.00 0.00 C ATOM 1458 CD PRO A 102 2.653 -5.892 3.165 1.00 0.00 C ATOM 0 HA PRO A 102 3.931 -6.818 6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.760 -8.341 5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.539 -6.665 5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.791 -7.849 2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.664 -6.637 3.507 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.901 -5.957 2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.233 -4.900 3.334 1.00 0.00 H new ATOM 1466 N LEU A 103 4.036 -9.427 5.666 1.00 0.00 N ATOM 1467 CA LEU A 103 4.646 -10.746 5.548 1.00 0.00 C ATOM 1468 C LEU A 103 3.727 -11.821 6.131 1.00 0.00 C ATOM 1469 O LEU A 103 2.675 -11.511 6.689 1.00 0.00 O ATOM 1470 CB LEU A 103 5.993 -10.752 6.269 1.00 0.00 C ATOM 1471 CG LEU A 103 6.766 -9.434 6.198 1.00 0.00 C ATOM 1472 CD1 LEU A 103 7.748 -9.326 7.355 1.00 0.00 C ATOM 1473 CD2 LEU A 103 7.490 -9.315 4.865 1.00 0.00 C ATOM 0 H LEU A 103 3.425 -9.319 6.475 1.00 0.00 H new ATOM 0 HA LEU A 103 4.801 -10.970 4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.827 -11.003 7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.612 -11.543 5.846 1.00 0.00 H new ATOM 0 HG LEU A 103 6.055 -8.612 6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.288 -8.382 7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.204 -9.366 8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.456 -10.153 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.035 -8.372 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.190 -10.143 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.764 -9.345 4.053 1.00 0.00 H new ATOM 1485 N PRO A 104 4.112 -13.103 6.005 1.00 0.00 N ATOM 1486 CA PRO A 104 3.321 -14.220 6.514 1.00 0.00 C ATOM 1487 C PRO A 104 3.610 -14.523 7.980 1.00 0.00 C ATOM 1488 O PRO A 104 4.598 -15.183 8.305 1.00 0.00 O ATOM 1489 CB PRO A 104 3.768 -15.379 5.629 1.00 0.00 C ATOM 1490 CG PRO A 104 5.187 -15.069 5.277 1.00 0.00 C ATOM 1491 CD PRO A 104 5.348 -13.567 5.349 1.00 0.00 C ATOM 0 HA PRO A 104 2.251 -14.018 6.480 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.690 -16.331 6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.147 -15.457 4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.871 -15.563 5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.424 -15.434 4.278 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.232 -13.288 5.922 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.461 -13.130 4.357 1.00 0.00 H new ATOM 1499 N ALA A 105 2.740 -14.041 8.863 1.00 0.00 N ATOM 1500 CA ALA A 105 2.902 -14.263 10.295 1.00 0.00 C ATOM 1501 C ALA A 105 1.613 -13.947 11.047 1.00 0.00 C ATOM 1502 O ALA A 105 1.537 -12.861 11.659 1.00 0.00 O ATOM 1503 CB ALA A 105 4.050 -13.421 10.834 1.00 0.00 C ATOM 1504 OXT ALA A 105 0.691 -14.789 11.017 1.00 0.00 O ATOM 0 H ALA A 105 1.916 -13.495 8.611 1.00 0.00 H new ATOM 0 HA ALA A 105 3.135 -15.316 10.451 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.159 -13.597 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.974 -13.697 10.325 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.840 -12.366 10.659 1.00 0.00 H new TER 1510 ALA A 105 HETATM 1511 FE1 FES A 106 -5.189 -6.552 -7.718 1.00 0.00 FE HETATM 1512 FE2 FES A 106 -4.522 -4.592 -6.049 1.00 0.00 FE HETATM 1513 S1 FES A 106 -6.527 -5.439 -6.372 1.00 0.00 S HETATM 1514 S2 FES A 106 -3.260 -5.499 -7.606 1.00 0.00 S