USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 325 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.5) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 30 GLN : amide:sc=-0.00388 X(o=-0.0039,f=0) USER MOD Single : A 32 THR OG1 : rot 123:sc= 0.968 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.00684 X(o=0.0068,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 4 20.037 1.225 0.698 1.00 0.00 N ATOM 2 CA ILE A 4 20.365 0.996 -0.738 1.00 0.00 C ATOM 3 C ILE A 4 19.277 0.174 -1.438 1.00 0.00 C ATOM 4 O ILE A 4 18.558 0.696 -2.288 1.00 0.00 O ATOM 5 CB ILE A 4 21.733 0.287 -0.907 1.00 0.00 C ATOM 6 CG1 ILE A 4 22.845 1.087 -0.218 1.00 0.00 C ATOM 7 CG2 ILE A 4 22.056 0.099 -2.386 1.00 0.00 C ATOM 8 CD1 ILE A 4 24.224 0.486 -0.394 1.00 0.00 C ATOM 0 HA ILE A 4 20.420 1.980 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 4 21.671 -0.694 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.848 2.103 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.623 1.159 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.020 -0.400 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 4 21.281 -0.509 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 4 22.098 1.072 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.959 1.105 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 4 24.239 -0.520 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.468 0.439 -1.455 1.00 0.00 H new ATOM 22 N VAL A 5 19.158 -1.109 -1.080 1.00 0.00 N ATOM 23 CA VAL A 5 18.154 -1.986 -1.690 1.00 0.00 C ATOM 24 C VAL A 5 17.146 -2.503 -0.657 1.00 0.00 C ATOM 25 O VAL A 5 16.001 -2.054 -0.622 1.00 0.00 O ATOM 26 CB VAL A 5 18.816 -3.184 -2.413 1.00 0.00 C ATOM 27 CG1 VAL A 5 17.764 -4.080 -3.051 1.00 0.00 C ATOM 28 CG2 VAL A 5 19.806 -2.699 -3.461 1.00 0.00 C ATOM 0 H VAL A 5 19.741 -1.561 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 5 17.619 -1.382 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 5 19.358 -3.768 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 5 18.253 -4.915 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 5 17.095 -4.462 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 5 17.189 -3.506 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 5 20.260 -3.557 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 5 19.285 -2.087 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 5 20.583 -2.105 -2.980 1.00 0.00 H new ATOM 38 N LEU A 6 17.577 -3.455 0.177 1.00 0.00 N ATOM 39 CA LEU A 6 16.709 -4.041 1.200 1.00 0.00 C ATOM 40 C LEU A 6 16.414 -3.051 2.331 1.00 0.00 C ATOM 41 O LEU A 6 15.258 -2.840 2.691 1.00 0.00 O ATOM 42 CB LEU A 6 17.354 -5.310 1.764 1.00 0.00 C ATOM 43 CG LEU A 6 16.885 -6.616 1.121 1.00 0.00 C ATOM 44 CD1 LEU A 6 18.052 -7.572 0.941 1.00 0.00 C ATOM 45 CD2 LEU A 6 15.796 -7.262 1.961 1.00 0.00 C ATOM 0 H LEU A 6 18.523 -3.836 0.162 1.00 0.00 H new ATOM 0 HA LEU A 6 15.759 -4.293 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.435 -5.233 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.152 -5.357 2.834 1.00 0.00 H new ATOM 0 HG LEU A 6 16.473 -6.386 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.698 -8.495 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.803 -7.112 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.493 -7.795 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.474 -8.190 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.184 -7.477 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.947 -6.583 2.041 1.00 0.00 H new ATOM 57 N SER A 7 17.468 -2.452 2.890 1.00 0.00 N ATOM 58 CA SER A 7 17.324 -1.491 3.983 1.00 0.00 C ATOM 59 C SER A 7 16.439 -0.302 3.590 1.00 0.00 C ATOM 60 O SER A 7 15.739 0.253 4.434 1.00 0.00 O ATOM 61 CB SER A 7 18.701 -0.993 4.418 1.00 0.00 C ATOM 62 OG SER A 7 19.244 -1.814 5.437 1.00 0.00 O ATOM 0 H SER A 7 18.432 -2.617 2.602 1.00 0.00 H new ATOM 0 HA SER A 7 16.836 -2.004 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 7 19.374 -0.980 3.560 1.00 0.00 H new ATOM 0 HB3 SER A 7 18.623 0.033 4.777 1.00 0.00 H new ATOM 0 HG SER A 7 20.126 -1.474 5.696 1.00 0.00 H new ATOM 68 N LEU A 8 16.480 0.078 2.303 1.00 0.00 N ATOM 69 CA LEU A 8 15.685 1.199 1.773 1.00 0.00 C ATOM 70 C LEU A 8 15.627 2.396 2.739 1.00 0.00 C ATOM 71 O LEU A 8 14.608 3.086 2.827 1.00 0.00 O ATOM 72 CB LEU A 8 14.267 0.729 1.408 1.00 0.00 C ATOM 73 CG LEU A 8 13.568 -0.165 2.438 1.00 0.00 C ATOM 74 CD1 LEU A 8 12.799 0.673 3.444 1.00 0.00 C ATOM 75 CD2 LEU A 8 12.638 -1.143 1.742 1.00 0.00 C ATOM 0 H LEU A 8 17.062 -0.381 1.602 1.00 0.00 H new ATOM 0 HA LEU A 8 16.190 1.546 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.646 1.609 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.317 0.189 0.463 1.00 0.00 H new ATOM 0 HG LEU A 8 14.330 -0.729 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.311 0.018 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.487 1.338 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.046 1.265 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.148 -1.772 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.884 -0.591 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.213 -1.769 1.060 1.00 0.00 H new ATOM 87 N ASP A 9 16.735 2.652 3.444 1.00 0.00 N ATOM 88 CA ASP A 9 16.807 3.773 4.382 1.00 0.00 C ATOM 89 C ASP A 9 16.890 5.105 3.634 1.00 0.00 C ATOM 90 O ASP A 9 16.021 5.962 3.784 1.00 0.00 O ATOM 91 CB ASP A 9 18.016 3.613 5.311 1.00 0.00 C ATOM 92 CG ASP A 9 17.674 3.872 6.765 1.00 0.00 C ATOM 93 OD1 ASP A 9 16.904 4.819 7.038 1.00 0.00 O ATOM 94 OD2 ASP A 9 18.181 3.131 7.632 1.00 0.00 O ATOM 0 H ASP A 9 17.590 2.099 3.382 1.00 0.00 H new ATOM 0 HA ASP A 9 15.897 3.773 4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.416 2.604 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.802 4.300 4.999 1.00 0.00 H new ATOM 99 N VAL A 10 17.938 5.269 2.818 1.00 0.00 N ATOM 100 CA VAL A 10 18.118 6.495 2.039 1.00 0.00 C ATOM 101 C VAL A 10 16.821 6.869 1.312 1.00 0.00 C ATOM 102 O VAL A 10 16.323 7.988 1.459 1.00 0.00 O ATOM 103 CB VAL A 10 19.277 6.369 1.021 1.00 0.00 C ATOM 104 CG1 VAL A 10 19.362 7.608 0.140 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.600 6.140 1.739 1.00 0.00 C ATOM 0 H VAL A 10 18.669 4.571 2.682 1.00 0.00 H new ATOM 0 HA VAL A 10 18.376 7.287 2.742 1.00 0.00 H new ATOM 0 HB VAL A 10 19.074 5.508 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 10 20.184 7.496 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.427 7.731 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.536 8.486 0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.402 6.054 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.804 6.980 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.543 5.222 2.323 1.00 0.00 H new ATOM 115 N PRO A 11 16.230 5.930 0.535 1.00 0.00 N ATOM 116 CA PRO A 11 14.979 6.177 -0.178 1.00 0.00 C ATOM 117 C PRO A 11 13.757 5.981 0.702 1.00 0.00 C ATOM 118 O PRO A 11 12.778 5.343 0.303 1.00 0.00 O ATOM 119 CB PRO A 11 15.016 5.150 -1.300 1.00 0.00 C ATOM 120 CG PRO A 11 15.790 4.001 -0.746 1.00 0.00 C ATOM 121 CD PRO A 11 16.720 4.558 0.306 1.00 0.00 C ATOM 0 HA PRO A 11 14.899 7.206 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.010 4.845 -1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.495 5.556 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.120 3.258 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.354 3.501 -1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.687 3.966 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.755 4.557 -0.037 1.00 0.00 H new ATOM 129 N ILE A 12 13.808 6.560 1.891 1.00 0.00 N ATOM 130 CA ILE A 12 12.704 6.475 2.819 1.00 0.00 C ATOM 131 C ILE A 12 11.466 7.156 2.235 1.00 0.00 C ATOM 132 O ILE A 12 10.334 6.786 2.549 1.00 0.00 O ATOM 133 CB ILE A 12 13.083 7.082 4.194 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.381 5.958 5.194 1.00 0.00 C ATOM 135 CG2 ILE A 12 11.999 8.020 4.722 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.458 5.923 6.396 1.00 0.00 C ATOM 0 H ILE A 12 14.607 7.094 2.232 1.00 0.00 H new ATOM 0 HA ILE A 12 12.470 5.423 2.980 1.00 0.00 H new ATOM 0 HB ILE A 12 13.981 7.685 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.317 5.001 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.408 6.063 5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.305 8.423 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.851 8.838 4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.066 7.469 4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.742 5.098 7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.538 6.862 6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.430 5.784 6.061 1.00 0.00 H new ATOM 148 N GLY A 13 11.690 8.129 1.351 1.00 0.00 N ATOM 149 CA GLY A 13 10.583 8.815 0.711 1.00 0.00 C ATOM 150 C GLY A 13 9.832 7.897 -0.225 1.00 0.00 C ATOM 151 O GLY A 13 8.606 7.957 -0.314 1.00 0.00 O ATOM 0 H GLY A 13 12.616 8.451 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.902 9.198 1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.958 9.675 0.156 1.00 0.00 H new ATOM 155 N LEU A 14 10.575 7.022 -0.905 1.00 0.00 N ATOM 156 CA LEU A 14 9.976 6.057 -1.827 1.00 0.00 C ATOM 157 C LEU A 14 9.014 5.136 -1.079 1.00 0.00 C ATOM 158 O LEU A 14 7.966 4.752 -1.603 1.00 0.00 O ATOM 159 CB LEU A 14 11.061 5.228 -2.533 1.00 0.00 C ATOM 160 CG LEU A 14 12.298 6.005 -2.995 1.00 0.00 C ATOM 161 CD1 LEU A 14 13.128 5.161 -3.947 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.903 7.313 -3.661 1.00 0.00 C ATOM 0 H LEU A 14 11.591 6.962 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 14 9.420 6.610 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.384 4.436 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.614 4.744 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 14 12.898 6.238 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 14 14.003 5.727 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.449 4.251 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.528 4.899 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.800 7.845 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.277 7.105 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.348 7.929 -2.953 1.00 0.00 H new ATOM 174 N LEU A 15 9.372 4.806 0.159 1.00 0.00 N ATOM 175 CA LEU A 15 8.537 3.949 0.998 1.00 0.00 C ATOM 176 C LEU A 15 7.468 4.771 1.720 1.00 0.00 C ATOM 177 O LEU A 15 6.388 4.263 2.025 1.00 0.00 O ATOM 178 CB LEU A 15 9.396 3.168 2.003 1.00 0.00 C ATOM 179 CG LEU A 15 9.622 3.856 3.350 1.00 0.00 C ATOM 180 CD1 LEU A 15 8.546 3.453 4.344 1.00 0.00 C ATOM 181 CD2 LEU A 15 10.999 3.522 3.895 1.00 0.00 C ATOM 0 H LEU A 15 10.235 5.119 0.604 1.00 0.00 H new ATOM 0 HA LEU A 15 8.032 3.230 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.925 2.201 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.367 2.970 1.548 1.00 0.00 H new ATOM 0 HG LEU A 15 9.563 4.934 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.724 3.953 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.568 3.743 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.572 2.373 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.142 4.020 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.085 2.444 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.760 3.862 3.193 1.00 0.00 H new ATOM 193 N GLN A 16 7.759 6.052 1.960 1.00 0.00 N ATOM 194 CA GLN A 16 6.814 6.945 2.607 1.00 0.00 C ATOM 195 C GLN A 16 5.611 7.138 1.697 1.00 0.00 C ATOM 196 O GLN A 16 4.466 7.148 2.150 1.00 0.00 O ATOM 197 CB GLN A 16 7.473 8.295 2.918 1.00 0.00 C ATOM 198 CG GLN A 16 8.245 8.317 4.232 1.00 0.00 C ATOM 199 CD GLN A 16 7.409 7.892 5.424 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.292 8.366 5.619 1.00 0.00 O ATOM 201 NE2 GLN A 16 7.946 6.991 6.234 1.00 0.00 N ATOM 0 H GLN A 16 8.647 6.489 1.712 1.00 0.00 H new ATOM 0 HA GLN A 16 6.490 6.505 3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.152 8.553 2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.703 9.066 2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.109 7.658 4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.627 9.323 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.876 6.620 6.039 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.429 6.668 7.052 1.00 0.00 H new ATOM 210 N ILE A 17 5.886 7.256 0.397 1.00 0.00 N ATOM 211 CA ILE A 17 4.828 7.416 -0.600 1.00 0.00 C ATOM 212 C ILE A 17 3.809 6.287 -0.483 1.00 0.00 C ATOM 213 O ILE A 17 2.597 6.516 -0.588 1.00 0.00 O ATOM 214 CB ILE A 17 5.399 7.455 -2.037 1.00 0.00 C ATOM 215 CG1 ILE A 17 6.256 8.711 -2.230 1.00 0.00 C ATOM 216 CG2 ILE A 17 4.277 7.409 -3.067 1.00 0.00 C ATOM 217 CD1 ILE A 17 6.442 9.108 -3.679 1.00 0.00 C ATOM 0 H ILE A 17 6.830 7.244 0.011 1.00 0.00 H new ATOM 0 HA ILE A 17 4.337 8.369 -0.403 1.00 0.00 H new ATOM 0 HB ILE A 17 6.027 6.576 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.795 9.540 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.235 8.544 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.703 7.438 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.705 6.490 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.619 8.267 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.059 10.005 -3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.931 8.297 -4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.470 9.308 -4.129 1.00 0.00 H new ATOM 229 N LEU A 18 4.305 5.074 -0.229 1.00 0.00 N ATOM 230 CA LEU A 18 3.441 3.909 -0.060 1.00 0.00 C ATOM 231 C LEU A 18 2.497 4.081 1.137 1.00 0.00 C ATOM 232 O LEU A 18 1.556 3.306 1.306 1.00 0.00 O ATOM 233 CB LEU A 18 4.286 2.640 0.111 1.00 0.00 C ATOM 234 CG LEU A 18 5.076 2.213 -1.126 1.00 0.00 C ATOM 235 CD1 LEU A 18 6.344 1.476 -0.726 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.217 1.340 -2.027 1.00 0.00 C ATOM 0 H LEU A 18 5.301 4.875 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 18 2.831 3.813 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.985 2.796 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.628 1.821 0.403 1.00 0.00 H new ATOM 0 HG LEU A 18 5.361 3.109 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.891 1.181 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.969 2.130 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.082 0.587 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.793 1.044 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.904 0.450 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.337 1.899 -2.344 1.00 0.00 H new ATOM 248 N LEU A 19 2.742 5.105 1.955 1.00 0.00 N ATOM 249 CA LEU A 19 1.899 5.387 3.114 1.00 0.00 C ATOM 250 C LEU A 19 1.370 6.824 3.069 1.00 0.00 C ATOM 251 O LEU A 19 0.706 7.278 4.004 1.00 0.00 O ATOM 252 CB LEU A 19 2.668 5.149 4.423 1.00 0.00 C ATOM 253 CG LEU A 19 3.847 4.175 4.336 1.00 0.00 C ATOM 254 CD1 LEU A 19 4.883 4.499 5.398 1.00 0.00 C ATOM 255 CD2 LEU A 19 3.367 2.740 4.485 1.00 0.00 C ATOM 0 H LEU A 19 3.520 5.754 1.835 1.00 0.00 H new ATOM 0 HA LEU A 19 1.051 4.703 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.039 6.108 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.968 4.777 5.171 1.00 0.00 H new ATOM 0 HG LEU A 19 4.310 4.284 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.714 3.797 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.251 5.514 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.429 4.418 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.219 2.063 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.879 2.618 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.659 2.509 3.689 1.00 0.00 H new ATOM 267 N GLU A 20 1.669 7.533 1.976 1.00 0.00 N ATOM 268 CA GLU A 20 1.230 8.906 1.800 1.00 0.00 C ATOM 269 C GLU A 20 0.148 8.994 0.738 1.00 0.00 C ATOM 270 O GLU A 20 -0.951 9.488 0.998 1.00 0.00 O ATOM 271 CB GLU A 20 2.418 9.780 1.408 1.00 0.00 C ATOM 272 CG GLU A 20 3.248 10.243 2.592 1.00 0.00 C ATOM 273 CD GLU A 20 3.345 11.752 2.686 1.00 0.00 C ATOM 274 OE1 GLU A 20 4.163 12.341 1.948 1.00 0.00 O ATOM 275 OE2 GLU A 20 2.602 12.341 3.496 1.00 0.00 O ATOM 0 H GLU A 20 2.218 7.168 1.198 1.00 0.00 H new ATOM 0 HA GLU A 20 0.814 9.261 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.057 9.224 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.053 10.653 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.810 9.854 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.251 9.823 2.513 1.00 0.00 H new ATOM 282 N GLN A 21 0.452 8.494 -0.456 1.00 0.00 N ATOM 283 CA GLN A 21 -0.515 8.510 -1.546 1.00 0.00 C ATOM 284 C GLN A 21 -1.293 7.202 -1.611 1.00 0.00 C ATOM 285 O GLN A 21 -2.236 7.066 -2.393 1.00 0.00 O ATOM 286 CB GLN A 21 0.175 8.813 -2.881 1.00 0.00 C ATOM 287 CG GLN A 21 0.915 7.625 -3.481 1.00 0.00 C ATOM 288 CD GLN A 21 0.739 7.524 -4.984 1.00 0.00 C ATOM 289 OE1 GLN A 21 -0.280 7.036 -5.469 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.732 7.988 -5.730 1.00 0.00 N ATOM 0 H GLN A 21 1.352 8.076 -0.691 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.231 9.308 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.573 9.159 -3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.880 9.631 -2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.977 7.708 -3.248 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.558 6.707 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.560 8.385 -5.287 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.668 7.948 -6.747 1.00 0.00 H new ATOM 299 N ALA A 22 -0.920 6.260 -0.752 1.00 0.00 N ATOM 300 CA ALA A 22 -1.611 4.984 -0.680 1.00 0.00 C ATOM 301 C ALA A 22 -2.798 5.082 0.276 1.00 0.00 C ATOM 302 O ALA A 22 -3.681 4.228 0.261 1.00 0.00 O ATOM 303 CB ALA A 22 -0.661 3.877 -0.252 1.00 0.00 C ATOM 0 H ALA A 22 -0.144 6.358 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.985 4.736 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.201 2.932 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.151 3.795 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.251 4.109 0.731 1.00 0.00 H new ATOM 309 N ARG A 23 -2.829 6.141 1.092 1.00 0.00 N ATOM 310 CA ARG A 23 -3.926 6.349 2.039 1.00 0.00 C ATOM 311 C ARG A 23 -5.271 6.292 1.314 1.00 0.00 C ATOM 312 O ARG A 23 -6.077 5.393 1.549 1.00 0.00 O ATOM 313 CB ARG A 23 -3.767 7.696 2.754 1.00 0.00 C ATOM 314 CG ARG A 23 -2.457 7.838 3.516 1.00 0.00 C ATOM 315 CD ARG A 23 -2.451 7.013 4.791 1.00 0.00 C ATOM 316 NE ARG A 23 -1.181 7.156 5.512 1.00 0.00 N ATOM 317 CZ ARG A 23 -1.045 7.129 6.834 1.00 0.00 C ATOM 318 NH1 ARG A 23 -2.089 6.933 7.620 1.00 0.00 N ATOM 319 NH2 ARG A 23 0.149 7.290 7.367 1.00 0.00 N ATOM 0 H ARG A 23 -2.110 6.864 1.115 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.896 5.554 2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.837 8.497 2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.596 7.828 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.630 7.526 2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.292 8.887 3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.274 7.326 5.434 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.618 5.964 4.549 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.336 7.286 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.015 6.800 7.214 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.969 6.915 8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.961 7.434 6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.262 7.271 8.381 1.00 0.00 H new ATOM 333 N ALA A 24 -5.496 7.248 0.416 1.00 0.00 N ATOM 334 CA ALA A 24 -6.734 7.299 -0.361 1.00 0.00 C ATOM 335 C ALA A 24 -6.779 6.208 -1.437 1.00 0.00 C ATOM 336 O ALA A 24 -7.821 5.988 -2.061 1.00 0.00 O ATOM 337 CB ALA A 24 -6.908 8.680 -0.981 1.00 0.00 C ATOM 0 H ALA A 24 -4.838 7.999 0.208 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.564 7.110 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.833 8.706 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.951 9.430 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.065 8.893 -1.638 1.00 0.00 H new ATOM 343 N ARG A 25 -5.652 5.522 -1.646 1.00 0.00 N ATOM 344 CA ARG A 25 -5.569 4.454 -2.628 1.00 0.00 C ATOM 345 C ARG A 25 -5.968 3.125 -1.998 1.00 0.00 C ATOM 346 O ARG A 25 -6.756 2.372 -2.560 1.00 0.00 O ATOM 347 CB ARG A 25 -4.147 4.386 -3.181 1.00 0.00 C ATOM 348 CG ARG A 25 -4.049 4.700 -4.664 1.00 0.00 C ATOM 349 CD ARG A 25 -3.846 6.189 -4.896 1.00 0.00 C ATOM 350 NE ARG A 25 -4.987 6.975 -4.403 1.00 0.00 N ATOM 351 CZ ARG A 25 -5.812 7.681 -5.170 1.00 0.00 C ATOM 352 NH1 ARG A 25 -5.630 7.760 -6.476 1.00 0.00 N ATOM 353 NH2 ARG A 25 -6.823 8.323 -4.621 1.00 0.00 N ATOM 0 H ARG A 25 -4.783 5.694 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.259 4.659 -3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.519 5.085 -2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.746 3.388 -3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.220 4.144 -5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.957 4.370 -5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.935 6.515 -4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.708 6.376 -5.961 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.158 6.979 -3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.846 7.274 -6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.273 8.307 -7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.969 8.277 -3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.459 8.866 -5.204 1.00 0.00 H new ATOM 367 N ALA A 26 -5.435 2.866 -0.816 1.00 0.00 N ATOM 368 CA ALA A 26 -5.743 1.650 -0.077 1.00 0.00 C ATOM 369 C ALA A 26 -7.098 1.769 0.619 1.00 0.00 C ATOM 370 O ALA A 26 -7.725 0.760 0.937 1.00 0.00 O ATOM 371 CB ALA A 26 -4.642 1.359 0.934 1.00 0.00 C ATOM 0 H ALA A 26 -4.780 3.488 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.798 0.819 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.882 0.448 1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.694 1.230 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.561 2.191 1.633 1.00 0.00 H new ATOM 377 N ALA A 27 -7.560 3.004 0.841 1.00 0.00 N ATOM 378 CA ALA A 27 -8.845 3.226 1.485 1.00 0.00 C ATOM 379 C ALA A 27 -9.979 2.640 0.655 1.00 0.00 C ATOM 380 O ALA A 27 -10.959 2.136 1.201 1.00 0.00 O ATOM 381 CB ALA A 27 -9.065 4.710 1.748 1.00 0.00 C ATOM 0 H ALA A 27 -7.062 3.856 0.584 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.838 2.711 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.032 4.855 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.275 5.085 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.046 5.254 0.803 1.00 0.00 H new ATOM 387 N ARG A 28 -9.826 2.673 -0.665 1.00 0.00 N ATOM 388 CA ARG A 28 -10.838 2.104 -1.554 1.00 0.00 C ATOM 389 C ARG A 28 -10.664 0.595 -1.675 1.00 0.00 C ATOM 390 O ARG A 28 -11.574 -0.118 -2.104 1.00 0.00 O ATOM 391 CB ARG A 28 -10.755 2.727 -2.943 1.00 0.00 C ATOM 392 CG ARG A 28 -9.493 2.342 -3.698 1.00 0.00 C ATOM 393 CD ARG A 28 -9.041 3.447 -4.624 1.00 0.00 C ATOM 394 NE ARG A 28 -9.075 4.733 -3.941 1.00 0.00 N ATOM 395 CZ ARG A 28 -9.799 5.778 -4.318 1.00 0.00 C ATOM 396 NH1 ARG A 28 -10.537 5.742 -5.414 1.00 0.00 N ATOM 397 NH2 ARG A 28 -9.782 6.867 -3.584 1.00 0.00 N ATOM 0 H ARG A 28 -9.022 3.082 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.814 2.322 -1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.625 2.421 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.798 3.812 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.698 2.114 -2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.675 1.435 -4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.030 3.243 -4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.685 3.479 -5.503 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.497 4.838 -3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.557 4.899 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.087 6.557 -5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.217 6.902 -2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.334 7.678 -3.862 1.00 0.00 H new ATOM 411 N GLU A 29 -9.486 0.117 -1.301 1.00 0.00 N ATOM 412 CA GLU A 29 -9.177 -1.299 -1.377 1.00 0.00 C ATOM 413 C GLU A 29 -9.425 -1.990 -0.046 1.00 0.00 C ATOM 414 O GLU A 29 -9.933 -3.106 -0.008 1.00 0.00 O ATOM 415 CB GLU A 29 -7.728 -1.482 -1.820 1.00 0.00 C ATOM 416 CG GLU A 29 -7.595 -1.817 -3.298 1.00 0.00 C ATOM 417 CD GLU A 29 -6.775 -3.066 -3.545 1.00 0.00 C ATOM 418 OE1 GLU A 29 -7.361 -4.169 -3.521 1.00 0.00 O ATOM 419 OE2 GLU A 29 -5.553 -2.941 -3.764 1.00 0.00 O ATOM 0 H GLU A 29 -8.726 0.694 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.837 -1.761 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.171 -0.569 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.272 -2.277 -1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.588 -1.949 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.134 -0.976 -3.816 1.00 0.00 H new ATOM 426 N GLN A 30 -9.077 -1.310 1.039 1.00 0.00 N ATOM 427 CA GLN A 30 -9.266 -1.841 2.383 1.00 0.00 C ATOM 428 C GLN A 30 -10.703 -2.303 2.597 1.00 0.00 C ATOM 429 O GLN A 30 -10.947 -3.302 3.271 1.00 0.00 O ATOM 430 CB GLN A 30 -8.888 -0.782 3.414 1.00 0.00 C ATOM 431 CG GLN A 30 -7.495 -0.977 3.989 1.00 0.00 C ATOM 432 CD GLN A 30 -7.447 -0.769 5.485 1.00 0.00 C ATOM 433 OE1 GLN A 30 -6.977 -1.625 6.227 1.00 0.00 O ATOM 434 NE2 GLN A 30 -7.933 0.374 5.939 1.00 0.00 N ATOM 0 H GLN A 30 -8.658 -0.380 1.013 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.617 -2.708 2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.949 0.203 2.952 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.615 -0.799 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.147 -1.983 3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.807 -0.282 3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.315 1.060 5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.926 0.570 6.940 1.00 0.00 H new ATOM 443 N ALA A 31 -11.645 -1.576 2.005 1.00 0.00 N ATOM 444 CA ALA A 31 -13.063 -1.916 2.113 1.00 0.00 C ATOM 445 C ALA A 31 -13.461 -2.932 1.047 1.00 0.00 C ATOM 446 O ALA A 31 -14.253 -3.844 1.300 1.00 0.00 O ATOM 447 CB ALA A 31 -13.917 -0.660 2.007 1.00 0.00 C ATOM 0 H ALA A 31 -11.454 -0.746 1.444 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.234 -2.370 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.970 -0.928 2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.654 0.028 2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.739 -0.179 1.045 1.00 0.00 H new ATOM 453 N THR A 32 -12.887 -2.772 -0.137 1.00 0.00 N ATOM 454 CA THR A 32 -13.151 -3.668 -1.261 1.00 0.00 C ATOM 455 C THR A 32 -12.536 -5.038 -1.004 1.00 0.00 C ATOM 456 O THR A 32 -13.195 -6.064 -1.171 1.00 0.00 O ATOM 457 CB THR A 32 -12.600 -3.070 -2.563 1.00 0.00 C ATOM 458 OG1 THR A 32 -13.126 -1.772 -2.781 1.00 0.00 O ATOM 459 CG2 THR A 32 -12.919 -3.895 -3.790 1.00 0.00 C ATOM 0 H THR A 32 -12.228 -2.023 -0.348 1.00 0.00 H new ATOM 0 HA THR A 32 -14.230 -3.786 -1.363 1.00 0.00 H new ATOM 0 HB THR A 32 -11.519 -3.048 -2.429 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.390 -1.131 -2.868 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.499 -3.412 -4.672 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.488 -4.890 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.000 -3.978 -3.902 1.00 0.00 H new ATOM 467 N THR A 33 -11.277 -5.048 -0.576 1.00 0.00 N ATOM 468 CA THR A 33 -10.584 -6.299 -0.277 1.00 0.00 C ATOM 469 C THR A 33 -11.242 -7.004 0.904 1.00 0.00 C ATOM 470 O THR A 33 -11.449 -8.213 0.867 1.00 0.00 O ATOM 471 CB THR A 33 -9.095 -6.054 0.004 1.00 0.00 C ATOM 472 OG1 THR A 33 -8.378 -7.275 -0.024 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.815 -5.402 1.342 1.00 0.00 C ATOM 0 H THR A 33 -10.717 -4.208 -0.429 1.00 0.00 H new ATOM 0 HA THR A 33 -10.659 -6.943 -1.153 1.00 0.00 H new ATOM 0 HB THR A 33 -8.773 -5.371 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.430 -7.102 0.155 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.740 -5.264 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.312 -4.433 1.386 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.191 -6.039 2.143 1.00 0.00 H new ATOM 481 N ASN A 34 -11.605 -6.241 1.941 1.00 0.00 N ATOM 482 CA ASN A 34 -12.268 -6.808 3.107 1.00 0.00 C ATOM 483 C ASN A 34 -13.498 -7.588 2.662 1.00 0.00 C ATOM 484 O ASN A 34 -13.643 -8.775 2.969 1.00 0.00 O ATOM 485 CB ASN A 34 -12.656 -5.694 4.077 1.00 0.00 C ATOM 486 CG ASN A 34 -12.167 -5.952 5.487 1.00 0.00 C ATOM 487 OD1 ASN A 34 -12.593 -6.899 6.142 1.00 0.00 O ATOM 488 ND2 ASN A 34 -11.261 -5.108 5.960 1.00 0.00 N ATOM 0 H ASN A 34 -11.449 -5.234 1.991 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.588 -7.488 3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.246 -4.749 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.741 -5.587 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.891 -5.233 6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.934 -4.334 5.382 1.00 0.00 H new ATOM 495 N ALA A 35 -14.366 -6.922 1.899 1.00 0.00 N ATOM 496 CA ALA A 35 -15.560 -7.560 1.374 1.00 0.00 C ATOM 497 C ALA A 35 -15.177 -8.700 0.442 1.00 0.00 C ATOM 498 O ALA A 35 -15.776 -9.766 0.484 1.00 0.00 O ATOM 499 CB ALA A 35 -16.448 -6.545 0.666 1.00 0.00 C ATOM 0 H ALA A 35 -14.259 -5.943 1.635 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.130 -7.974 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.337 -7.045 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.746 -5.768 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.898 -6.094 -0.160 1.00 0.00 H new ATOM 505 N ARG A 36 -14.154 -8.478 -0.374 1.00 0.00 N ATOM 506 CA ARG A 36 -13.668 -9.496 -1.291 1.00 0.00 C ATOM 507 C ARG A 36 -13.133 -10.707 -0.520 1.00 0.00 C ATOM 508 O ARG A 36 -13.255 -11.846 -0.959 1.00 0.00 O ATOM 509 CB ARG A 36 -12.570 -8.900 -2.165 1.00 0.00 C ATOM 510 CG ARG A 36 -13.096 -8.101 -3.350 1.00 0.00 C ATOM 511 CD ARG A 36 -13.047 -8.891 -4.647 1.00 0.00 C ATOM 512 NE ARG A 36 -14.386 -9.223 -5.143 1.00 0.00 N ATOM 513 CZ ARG A 36 -15.278 -8.342 -5.586 1.00 0.00 C ATOM 514 NH1 ARG A 36 -14.996 -7.053 -5.610 1.00 0.00 N ATOM 515 NH2 ARG A 36 -16.455 -8.756 -6.014 1.00 0.00 N ATOM 0 H ARG A 36 -13.644 -7.596 -0.418 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.492 -9.833 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.941 -8.253 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.935 -9.705 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.123 -7.796 -3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.508 -7.190 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.514 -8.314 -5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.481 -9.809 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.654 -10.207 -5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.086 -6.724 -5.287 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.688 -6.386 -5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.680 -9.751 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.140 -8.081 -6.354 1.00 0.00 H new ATOM 529 N ILE A 37 -12.540 -10.457 0.634 1.00 0.00 N ATOM 530 CA ILE A 37 -12.004 -11.536 1.460 1.00 0.00 C ATOM 531 C ILE A 37 -13.133 -12.406 2.013 1.00 0.00 C ATOM 532 O ILE A 37 -13.021 -13.633 2.044 1.00 0.00 O ATOM 533 CB ILE A 37 -11.141 -10.996 2.625 1.00 0.00 C ATOM 534 CG1 ILE A 37 -9.838 -10.404 2.084 1.00 0.00 C ATOM 535 CG2 ILE A 37 -10.846 -12.098 3.637 1.00 0.00 C ATOM 536 CD1 ILE A 37 -8.852 -10.003 3.163 1.00 0.00 C ATOM 0 H ILE A 37 -12.415 -9.522 1.023 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.364 -12.142 0.818 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.700 -10.210 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.365 -11.133 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.072 -9.530 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.238 -11.695 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.783 -12.480 4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.306 -12.908 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.954 -9.592 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.305 -9.250 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.587 -10.878 3.757 1.00 0.00 H new ATOM 548 N LEU A 38 -14.222 -11.766 2.433 1.00 0.00 N ATOM 549 CA LEU A 38 -15.379 -12.484 2.968 1.00 0.00 C ATOM 550 C LEU A 38 -16.411 -12.797 1.871 1.00 0.00 C ATOM 551 O LEU A 38 -17.345 -13.566 2.095 1.00 0.00 O ATOM 552 CB LEU A 38 -16.032 -11.673 4.095 1.00 0.00 C ATOM 553 CG LEU A 38 -16.797 -10.423 3.647 1.00 0.00 C ATOM 554 CD1 LEU A 38 -18.295 -10.668 3.702 1.00 0.00 C ATOM 555 CD2 LEU A 38 -16.422 -9.231 4.512 1.00 0.00 C ATOM 0 H LEU A 38 -14.329 -10.752 2.414 1.00 0.00 H new ATOM 0 HA LEU A 38 -15.023 -13.433 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.718 -12.323 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.256 -11.371 4.799 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.521 -10.202 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.823 -9.770 3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.553 -11.496 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -18.586 -10.914 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.975 -8.352 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.670 -9.444 5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.352 -9.041 4.426 1.00 0.00 H new ATOM 567 N ALA A 39 -16.239 -12.195 0.688 1.00 0.00 N ATOM 568 CA ALA A 39 -17.148 -12.400 -0.435 1.00 0.00 C ATOM 569 C ALA A 39 -16.467 -12.006 -1.748 1.00 0.00 C ATOM 570 O ALA A 39 -16.909 -11.097 -2.452 1.00 0.00 O ATOM 571 CB ALA A 39 -18.430 -11.605 -0.225 1.00 0.00 C ATOM 0 H ALA A 39 -15.469 -11.557 0.488 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.408 -13.457 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.100 -11.766 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.917 -11.935 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.192 -10.544 -0.148 1.00 0.00 H new ATOM 577 N ARG A 40 -15.360 -12.681 -2.040 1.00 0.00 N ATOM 578 CA ARG A 40 -14.557 -12.411 -3.235 1.00 0.00 C ATOM 579 C ARG A 40 -15.385 -12.355 -4.513 1.00 0.00 C ATOM 580 O ARG A 40 -15.080 -11.566 -5.411 1.00 0.00 O ATOM 581 CB ARG A 40 -13.447 -13.454 -3.366 1.00 0.00 C ATOM 582 CG ARG A 40 -12.216 -12.943 -4.100 1.00 0.00 C ATOM 583 CD ARG A 40 -10.954 -13.187 -3.291 1.00 0.00 C ATOM 584 NE ARG A 40 -10.855 -14.582 -2.853 1.00 0.00 N ATOM 585 CZ ARG A 40 -10.337 -14.978 -1.697 1.00 0.00 C ATOM 586 NH1 ARG A 40 -9.804 -14.108 -0.859 1.00 0.00 N ATOM 587 NH2 ARG A 40 -10.340 -16.258 -1.387 1.00 0.00 N ATOM 0 H ARG A 40 -14.991 -13.432 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.121 -11.421 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.154 -13.788 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.838 -14.325 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.133 -13.440 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.324 -11.877 -4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.081 -12.931 -3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.946 -12.530 -2.421 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.210 -15.301 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.786 -13.116 -1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.410 -14.428 0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.739 -16.938 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.943 -16.569 -0.500 1.00 0.00 H new ATOM 601 N VAL A 41 -16.419 -13.180 -4.593 1.00 0.00 N ATOM 602 CA VAL A 41 -17.285 -13.209 -5.769 1.00 0.00 C ATOM 603 C VAL A 41 -18.111 -11.922 -5.864 1.00 0.00 C ATOM 604 O VAL A 41 -17.667 -10.989 -6.568 1.00 0.00 O ATOM 605 CB VAL A 41 -18.224 -14.439 -5.757 1.00 0.00 C ATOM 606 CG1 VAL A 41 -18.950 -14.573 -7.086 1.00 0.00 C ATOM 607 CG2 VAL A 41 -17.450 -15.712 -5.443 1.00 0.00 C ATOM 608 OXT VAL A 41 -19.185 -11.851 -5.228 1.00 0.00 O ATOM 0 H VAL A 41 -16.681 -13.839 -3.860 1.00 0.00 H new ATOM 0 HA VAL A 41 -16.640 -13.285 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 41 -18.965 -14.289 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -19.605 -15.444 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -19.545 -13.678 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -18.222 -14.694 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.133 -16.562 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -16.681 -15.866 -6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.981 -15.620 -4.463 1.00 0.00 H new TER 618 VAL A 41