USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HD1:sc= -9.56! C(o=-12!,f=-9.6!) USER MOD Single : A 85 SER OG : rot 116:sc= -3.69! USER MOD Single : A 87 MET CE :methyl -146:sc= -0.258 (180deg=-1.34!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 159:sc= 0.0677 USER MOD Single : A 94 THR OG1 : rot 45:sc= 0.735 USER MOD Single : A 96 SER OG : rot 171:sc= -5.31! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.35! C(o=-1.3!,f=-4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -3.53! C(o=-3.5!,f=-6.3!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 116 CYS SG : rot -170:sc= -0.0112 USER MOD Single : A 121 MET CE :methyl -171:sc= -0.186 (180deg=-0.306) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.0793 K(o=-0.079,f=-0.59) USER MOD Single : A 126 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.34) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 8:sc= 0.606 USER MOD Single : A 134 THR OG1 : rot -11:sc= -0.448 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 130:sc= -0.264 USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 75 -19.691 11.391 0.848 1.00 0.00 N ATOM 2 CA ALA A 75 -20.166 12.768 0.796 1.00 0.00 C ATOM 3 C ALA A 75 -19.000 13.748 0.725 1.00 0.00 C ATOM 4 O ALA A 75 -17.925 13.489 1.266 1.00 0.00 O ATOM 5 CB ALA A 75 -21.041 13.070 2.003 1.00 0.00 C ATOM 0 HA ALA A 75 -20.762 12.888 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -21.389 14.102 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -21.899 12.398 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.463 12.927 2.916 1.00 0.00 H new ATOM 11 N ALA A 76 -19.220 14.875 0.057 1.00 0.00 N ATOM 12 CA ALA A 76 -18.189 15.894 -0.084 1.00 0.00 C ATOM 13 C ALA A 76 -17.013 15.377 -0.905 1.00 0.00 C ATOM 14 O ALA A 76 -17.046 14.260 -1.422 1.00 0.00 O ATOM 15 CB ALA A 76 -17.714 16.355 1.287 1.00 0.00 C ATOM 0 H ALA A 76 -20.105 15.105 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.622 16.743 -0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.943 17.117 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.554 16.773 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.304 15.506 1.834 1.00 0.00 H new ATOM 21 N GLU A 77 -15.973 16.197 -1.022 1.00 0.00 N ATOM 22 CA GLU A 77 -14.786 15.824 -1.781 1.00 0.00 C ATOM 23 C GLU A 77 -13.546 15.840 -0.893 1.00 0.00 C ATOM 24 O GLU A 77 -13.419 16.679 -0.002 1.00 0.00 O ATOM 25 CB GLU A 77 -14.592 16.773 -2.965 1.00 0.00 C ATOM 26 CG GLU A 77 -15.865 17.022 -3.757 1.00 0.00 C ATOM 27 CD GLU A 77 -16.681 15.760 -3.963 1.00 0.00 C ATOM 28 OE1 GLU A 77 -16.138 14.789 -4.530 1.00 0.00 O ATOM 29 OE2 GLU A 77 -17.861 15.744 -3.557 1.00 0.00 O ATOM 0 H GLU A 77 -15.929 17.125 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.929 14.811 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.210 17.725 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.834 16.360 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.473 17.762 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.607 17.446 -4.728 1.00 0.00 H new ATOM 36 N ILE A 78 -12.634 14.905 -1.142 1.00 0.00 N ATOM 37 CA ILE A 78 -11.404 14.811 -0.365 1.00 0.00 C ATOM 38 C ILE A 78 -10.204 14.537 -1.266 1.00 0.00 C ATOM 39 O ILE A 78 -9.191 13.999 -0.821 1.00 0.00 O ATOM 40 CB ILE A 78 -11.496 13.702 0.701 1.00 0.00 C ATOM 41 CG1 ILE A 78 -12.883 13.697 1.344 1.00 0.00 C ATOM 42 CG2 ILE A 78 -10.417 13.892 1.756 1.00 0.00 C ATOM 43 CD1 ILE A 78 -13.789 12.603 0.819 1.00 0.00 C ATOM 0 H ILE A 78 -12.724 14.202 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.270 15.772 0.132 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.338 12.738 0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.774 13.581 2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.357 14.663 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.495 13.101 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.435 13.851 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.547 14.861 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.756 12.660 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.928 12.730 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.336 11.631 1.014 1.00 0.00 H new ATOM 55 N SER A 79 -10.326 14.914 -2.535 1.00 0.00 N ATOM 56 CA SER A 79 -9.250 14.711 -3.500 1.00 0.00 C ATOM 57 C SER A 79 -8.723 13.280 -3.439 1.00 0.00 C ATOM 58 O SER A 79 -7.514 13.056 -3.392 1.00 0.00 O ATOM 59 CB SER A 79 -8.112 15.697 -3.240 1.00 0.00 C ATOM 60 OG SER A 79 -8.296 16.896 -3.975 1.00 0.00 O ATOM 0 H SER A 79 -11.158 15.361 -2.919 1.00 0.00 H new ATOM 0 HA SER A 79 -9.654 14.886 -4.497 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.060 15.924 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.161 15.240 -3.515 1.00 0.00 H new ATOM 0 HG SER A 79 -7.555 17.510 -3.790 1.00 0.00 H new ATOM 66 N GLY A 80 -9.638 12.317 -3.441 1.00 0.00 N ATOM 67 CA GLY A 80 -9.245 10.920 -3.387 1.00 0.00 C ATOM 68 C GLY A 80 -8.750 10.506 -2.015 1.00 0.00 C ATOM 69 O GLY A 80 -9.373 10.823 -1.001 1.00 0.00 O ATOM 0 H GLY A 80 -10.644 12.478 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.094 10.296 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.461 10.738 -4.122 1.00 0.00 H new ATOM 73 N HIS A 81 -7.627 9.796 -1.982 1.00 0.00 N ATOM 74 CA HIS A 81 -7.047 9.335 -0.727 1.00 0.00 C ATOM 75 C HIS A 81 -5.909 8.356 -0.984 1.00 0.00 C ATOM 76 O HIS A 81 -6.113 7.144 -1.000 1.00 0.00 O ATOM 77 CB HIS A 81 -8.116 8.669 0.141 1.00 0.00 C ATOM 78 CG HIS A 81 -7.557 7.938 1.326 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.970 6.719 1.424 1.00 0.00 N flip ATOM 80 CD2 HIS A 81 -7.568 8.459 2.602 1.00 0.00 C flip ATOM 81 CE1 HIS A 81 -6.642 6.533 2.744 1.00 0.00 C flip ATOM 82 NE2 HIS A 81 -7.012 7.595 3.434 1.00 0.00 N flip ATOM 0 H HIS A 81 -7.100 9.527 -2.813 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.649 10.202 -0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.815 9.429 0.490 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.686 7.970 -0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.968 9.423 2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.159 5.658 3.152 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.890 7.727 4.438 1.00 0.00 H new ATOM 91 N ILE A 82 -4.711 8.889 -1.187 1.00 0.00 N ATOM 92 CA ILE A 82 -3.547 8.054 -1.444 1.00 0.00 C ATOM 93 C ILE A 82 -2.685 7.915 -0.199 1.00 0.00 C ATOM 94 O ILE A 82 -2.761 8.731 0.720 1.00 0.00 O ATOM 95 CB ILE A 82 -2.690 8.613 -2.592 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.572 9.387 -3.566 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.959 7.484 -3.306 1.00 0.00 C ATOM 98 CD1 ILE A 82 -3.019 9.456 -4.974 1.00 0.00 C ATOM 0 H ILE A 82 -4.521 9.891 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.923 7.073 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.944 9.293 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.558 8.923 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.709 10.401 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.357 7.895 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.311 6.966 -2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.685 6.782 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.703 10.022 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.047 9.948 -4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.909 8.447 -5.371 1.00 0.00 H new ATOM 110 N VAL A 83 -1.868 6.874 -0.178 1.00 0.00 N ATOM 111 CA VAL A 83 -0.986 6.614 0.953 1.00 0.00 C ATOM 112 C VAL A 83 0.472 6.871 0.584 1.00 0.00 C ATOM 113 O VAL A 83 1.348 6.057 0.879 1.00 0.00 O ATOM 114 CB VAL A 83 -1.131 5.166 1.460 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.395 4.199 0.546 1.00 0.00 C ATOM 116 CG2 VAL A 83 -0.627 5.049 2.891 1.00 0.00 C ATOM 0 H VAL A 83 -1.796 6.192 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.282 7.298 1.748 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.189 4.902 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.511 3.183 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.809 4.262 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.664 4.458 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.737 4.020 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.424 5.334 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.207 5.709 3.536 1.00 0.00 H new ATOM 126 N ARG A 84 0.719 8.007 -0.063 1.00 0.00 N ATOM 127 CA ARG A 84 2.068 8.384 -0.480 1.00 0.00 C ATOM 128 C ARG A 84 3.117 7.838 0.483 1.00 0.00 C ATOM 129 O ARG A 84 2.945 7.894 1.702 1.00 0.00 O ATOM 130 CB ARG A 84 2.191 9.908 -0.575 1.00 0.00 C ATOM 131 CG ARG A 84 1.331 10.656 0.433 1.00 0.00 C ATOM 132 CD ARG A 84 1.381 12.157 0.200 1.00 0.00 C ATOM 133 NE ARG A 84 0.796 12.904 1.310 1.00 0.00 N ATOM 134 CZ ARG A 84 0.330 14.143 1.199 1.00 0.00 C ATOM 135 NH1 ARG A 84 0.377 14.770 0.031 1.00 0.00 N ATOM 136 NH2 ARG A 84 -0.186 14.758 2.255 1.00 0.00 N ATOM 0 H ARG A 84 -0.001 8.686 -0.311 1.00 0.00 H new ATOM 0 HA ARG A 84 2.246 7.948 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.234 10.189 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.914 10.224 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.300 10.310 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.674 10.432 1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.416 12.468 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.849 12.399 -0.720 1.00 0.00 H new ATOM 0 HE ARG A 84 0.742 12.449 2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.772 14.301 -0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.019 15.721 -0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.226 14.280 3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.543 15.709 2.167 1.00 0.00 H new ATOM 150 N SER A 85 4.199 7.305 -0.073 1.00 0.00 N ATOM 151 CA SER A 85 5.275 6.742 0.735 1.00 0.00 C ATOM 152 C SER A 85 5.599 7.644 1.921 1.00 0.00 C ATOM 153 O SER A 85 6.208 8.702 1.761 1.00 0.00 O ATOM 154 CB SER A 85 6.526 6.529 -0.118 1.00 0.00 C ATOM 155 OG SER A 85 7.537 7.466 0.218 1.00 0.00 O ATOM 0 H SER A 85 4.355 7.251 -1.080 1.00 0.00 H new ATOM 0 HA SER A 85 4.938 5.779 1.119 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.901 5.516 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.272 6.626 -1.173 1.00 0.00 H new ATOM 0 HG SER A 85 8.310 6.993 0.592 1.00 0.00 H new ATOM 161 N PRO A 86 5.198 7.230 3.131 1.00 0.00 N ATOM 162 CA PRO A 86 5.448 7.998 4.355 1.00 0.00 C ATOM 163 C PRO A 86 6.933 8.276 4.561 1.00 0.00 C ATOM 164 O PRO A 86 7.308 9.198 5.285 1.00 0.00 O ATOM 165 CB PRO A 86 4.916 7.091 5.468 1.00 0.00 C ATOM 166 CG PRO A 86 3.949 6.178 4.795 1.00 0.00 C ATOM 167 CD PRO A 86 4.472 5.978 3.400 1.00 0.00 C ATOM 0 HA PRO A 86 4.970 8.977 4.326 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.723 6.531 5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.430 7.672 6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.876 5.228 5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.949 6.612 4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.128 5.110 3.337 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.664 5.819 2.686 1.00 0.00 H new ATOM 175 N MET A 87 7.771 7.471 3.918 1.00 0.00 N ATOM 176 CA MET A 87 9.217 7.626 4.026 1.00 0.00 C ATOM 177 C MET A 87 9.919 7.030 2.811 1.00 0.00 C ATOM 178 O MET A 87 9.270 6.576 1.868 1.00 0.00 O ATOM 179 CB MET A 87 9.728 6.959 5.305 1.00 0.00 C ATOM 180 CG MET A 87 9.629 5.442 5.282 1.00 0.00 C ATOM 181 SD MET A 87 8.715 4.785 6.691 1.00 0.00 S ATOM 182 CE MET A 87 9.547 5.609 8.046 1.00 0.00 C ATOM 0 H MET A 87 7.474 6.703 3.316 1.00 0.00 H new ATOM 0 HA MET A 87 9.442 8.692 4.066 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.768 7.244 5.463 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.161 7.339 6.155 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.142 5.127 4.359 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.632 5.016 5.274 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.572 4.949 8.913 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.566 5.858 7.750 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.010 6.522 8.301 1.00 0.00 H new ATOM 192 N VAL A 88 11.247 7.034 2.840 1.00 0.00 N ATOM 193 CA VAL A 88 12.036 6.493 1.740 1.00 0.00 C ATOM 194 C VAL A 88 12.174 4.979 1.854 1.00 0.00 C ATOM 195 O VAL A 88 13.224 4.469 2.247 1.00 0.00 O ATOM 196 CB VAL A 88 13.442 7.122 1.695 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.383 8.519 1.099 1.00 0.00 C ATOM 198 CG2 VAL A 88 14.057 7.153 3.086 1.00 0.00 C ATOM 0 H VAL A 88 11.799 7.406 3.613 1.00 0.00 H new ATOM 0 HA VAL A 88 11.505 6.739 0.820 1.00 0.00 H new ATOM 0 HB VAL A 88 14.076 6.507 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.385 8.947 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.987 8.465 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.734 9.148 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.050 7.600 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.426 7.744 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.137 6.137 3.471 1.00 0.00 H new ATOM 208 N GLY A 89 11.107 4.264 1.508 1.00 0.00 N ATOM 209 CA GLY A 89 11.132 2.815 1.579 1.00 0.00 C ATOM 210 C GLY A 89 10.651 2.162 0.298 1.00 0.00 C ATOM 211 O GLY A 89 10.870 2.687 -0.794 1.00 0.00 O ATOM 0 H GLY A 89 10.227 4.662 1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.148 2.483 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.507 2.484 2.408 1.00 0.00 H new ATOM 215 N THR A 90 9.993 1.015 0.431 1.00 0.00 N ATOM 216 CA THR A 90 9.478 0.290 -0.724 1.00 0.00 C ATOM 217 C THR A 90 8.024 -0.113 -0.509 1.00 0.00 C ATOM 218 O THR A 90 7.574 -0.260 0.627 1.00 0.00 O ATOM 219 CB THR A 90 10.330 -0.951 -0.996 1.00 0.00 C ATOM 220 OG1 THR A 90 11.693 -0.699 -0.702 1.00 0.00 O ATOM 221 CG2 THR A 90 10.250 -1.430 -2.429 1.00 0.00 C ATOM 0 H THR A 90 9.804 0.568 1.328 1.00 0.00 H new ATOM 0 HA THR A 90 9.528 0.952 -1.589 1.00 0.00 H new ATOM 0 HB THR A 90 9.924 -1.727 -0.348 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.221 -1.505 -0.881 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.877 -2.313 -2.553 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.218 -1.682 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.597 -0.641 -3.096 1.00 0.00 H new ATOM 229 N PHE A 91 7.293 -0.288 -1.605 1.00 0.00 N ATOM 230 CA PHE A 91 5.889 -0.671 -1.527 1.00 0.00 C ATOM 231 C PHE A 91 5.658 -2.053 -2.133 1.00 0.00 C ATOM 232 O PHE A 91 6.322 -2.442 -3.098 1.00 0.00 O ATOM 233 CB PHE A 91 5.011 0.367 -2.235 1.00 0.00 C ATOM 234 CG PHE A 91 3.711 -0.195 -2.742 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.690 -1.009 -3.870 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.512 0.074 -2.087 1.00 0.00 C ATOM 237 CE1 PHE A 91 2.501 -1.540 -4.336 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.322 -0.459 -2.550 1.00 0.00 C ATOM 239 CZ PHE A 91 1.317 -1.266 -3.676 1.00 0.00 C ATOM 0 H PHE A 91 7.648 -0.171 -2.554 1.00 0.00 H new ATOM 0 HA PHE A 91 5.613 -0.711 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.800 1.185 -1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.566 0.791 -3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.612 -1.229 -4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.511 0.704 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.497 -2.168 -5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.398 -0.246 -2.034 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.388 -1.681 -4.038 1.00 0.00 H new ATOM 249 N TYR A 92 4.703 -2.782 -1.561 1.00 0.00 N ATOM 250 CA TYR A 92 4.362 -4.118 -2.033 1.00 0.00 C ATOM 251 C TYR A 92 2.864 -4.370 -1.913 1.00 0.00 C ATOM 252 O TYR A 92 2.153 -3.639 -1.222 1.00 0.00 O ATOM 253 CB TYR A 92 5.127 -5.173 -1.235 1.00 0.00 C ATOM 254 CG TYR A 92 6.626 -5.065 -1.375 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.205 -4.803 -2.613 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.461 -5.222 -0.272 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.582 -4.701 -2.750 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.838 -5.121 -0.399 1.00 0.00 C ATOM 259 CZ TYR A 92 9.393 -4.861 -1.640 1.00 0.00 C ATOM 260 OH TYR A 92 10.758 -4.760 -1.770 1.00 0.00 O ATOM 0 H TYR A 92 4.149 -2.466 -0.765 1.00 0.00 H new ATOM 0 HA TYR A 92 4.644 -4.187 -3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.861 -5.084 -0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.810 -6.164 -1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.573 -4.677 -3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.030 -5.425 0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.018 -4.498 -3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.474 -5.244 0.465 1.00 0.00 H new ATOM 0 HH TYR A 92 11.156 -4.561 -0.897 1.00 0.00 H new ATOM 270 N ARG A 93 2.391 -5.412 -2.586 1.00 0.00 N ATOM 271 CA ARG A 93 0.978 -5.767 -2.554 1.00 0.00 C ATOM 272 C ARG A 93 0.796 -7.271 -2.723 1.00 0.00 C ATOM 273 O ARG A 93 -0.271 -7.736 -3.118 1.00 0.00 O ATOM 274 CB ARG A 93 0.215 -5.021 -3.650 1.00 0.00 C ATOM 275 CG ARG A 93 0.256 -5.716 -5.001 1.00 0.00 C ATOM 276 CD ARG A 93 -0.233 -4.800 -6.112 1.00 0.00 C ATOM 277 NE ARG A 93 0.134 -5.300 -7.435 1.00 0.00 N ATOM 278 CZ ARG A 93 -0.405 -4.855 -8.566 1.00 0.00 C ATOM 279 NH1 ARG A 93 -1.334 -3.910 -8.535 1.00 0.00 N ATOM 280 NH2 ARG A 93 -0.014 -5.357 -9.730 1.00 0.00 N ATOM 0 H ARG A 93 2.967 -6.027 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 93 0.576 -5.475 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.824 -4.904 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.632 -4.019 -3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.275 -6.038 -5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.362 -6.613 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.317 -4.701 -6.050 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.187 -3.804 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 93 0.843 -6.031 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.637 -3.522 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.746 -3.571 -9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.700 -6.085 -9.757 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.428 -5.015 -10.598 1.00 0.00 H new ATOM 294 N THR A 94 1.846 -8.028 -2.419 1.00 0.00 N ATOM 295 CA THR A 94 1.801 -9.481 -2.535 1.00 0.00 C ATOM 296 C THR A 94 2.669 -10.138 -1.468 1.00 0.00 C ATOM 297 O THR A 94 3.837 -10.449 -1.706 1.00 0.00 O ATOM 298 CB THR A 94 2.267 -9.916 -3.927 1.00 0.00 C ATOM 299 OG1 THR A 94 3.578 -9.447 -4.185 1.00 0.00 O ATOM 300 CG2 THR A 94 1.373 -9.416 -5.041 1.00 0.00 C ATOM 0 H THR A 94 2.738 -7.659 -2.090 1.00 0.00 H new ATOM 0 HA THR A 94 0.770 -9.802 -2.387 1.00 0.00 H new ATOM 0 HB THR A 94 2.232 -11.005 -3.916 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.144 -9.611 -3.402 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.760 -9.760 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.363 -9.801 -4.898 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.351 -8.326 -5.028 1.00 0.00 H new ATOM 308 N PRO A 95 2.105 -10.359 -0.271 1.00 0.00 N ATOM 309 CA PRO A 95 2.826 -10.983 0.842 1.00 0.00 C ATOM 310 C PRO A 95 3.148 -12.450 0.576 1.00 0.00 C ATOM 311 O PRO A 95 4.050 -13.019 1.191 1.00 0.00 O ATOM 312 CB PRO A 95 1.853 -10.853 2.017 1.00 0.00 C ATOM 313 CG PRO A 95 0.508 -10.742 1.386 1.00 0.00 C ATOM 314 CD PRO A 95 0.718 -10.017 0.087 1.00 0.00 C ATOM 0 HA PRO A 95 3.791 -10.508 1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.911 -11.719 2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 95 2.079 -9.976 2.623 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.074 -11.727 1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.181 -10.196 2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.013 -10.346 -0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.585 -8.941 0.201 1.00 0.00 H new ATOM 322 N SER A 96 2.405 -13.056 -0.346 1.00 0.00 N ATOM 323 CA SER A 96 2.614 -14.456 -0.693 1.00 0.00 C ATOM 324 C SER A 96 2.960 -14.606 -2.171 1.00 0.00 C ATOM 325 O SER A 96 2.458 -13.862 -3.015 1.00 0.00 O ATOM 326 CB SER A 96 1.364 -15.277 -0.362 1.00 0.00 C ATOM 327 OG SER A 96 0.833 -15.892 -1.524 1.00 0.00 O ATOM 0 H SER A 96 1.655 -12.600 -0.865 1.00 0.00 H new ATOM 0 HA SER A 96 3.452 -14.829 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.612 -16.040 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.610 -14.631 0.088 1.00 0.00 H new ATOM 0 HG SER A 96 0.128 -16.522 -1.267 1.00 0.00 H new ATOM 333 N PRO A 97 3.828 -15.573 -2.500 1.00 0.00 N ATOM 334 CA PRO A 97 4.246 -15.827 -3.882 1.00 0.00 C ATOM 335 C PRO A 97 3.061 -15.962 -4.830 1.00 0.00 C ATOM 336 O PRO A 97 3.086 -15.448 -5.949 1.00 0.00 O ATOM 337 CB PRO A 97 5.007 -17.150 -3.785 1.00 0.00 C ATOM 338 CG PRO A 97 5.503 -17.200 -2.381 1.00 0.00 C ATOM 339 CD PRO A 97 4.467 -16.497 -1.547 1.00 0.00 C ATOM 0 HA PRO A 97 4.840 -15.007 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.358 -17.997 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.831 -17.186 -4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.635 -18.230 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.473 -16.710 -2.293 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.748 -17.199 -1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.919 -15.963 -0.712 1.00 0.00 H new ATOM 347 N ASP A 98 2.023 -16.657 -4.376 1.00 0.00 N ATOM 348 CA ASP A 98 0.826 -16.859 -5.185 1.00 0.00 C ATOM 349 C ASP A 98 -0.434 -16.603 -4.365 1.00 0.00 C ATOM 350 O ASP A 98 -1.268 -17.493 -4.195 1.00 0.00 O ATOM 351 CB ASP A 98 0.800 -18.282 -5.750 1.00 0.00 C ATOM 352 CG ASP A 98 0.734 -19.334 -4.661 1.00 0.00 C ATOM 353 OD1 ASP A 98 1.489 -19.215 -3.673 1.00 0.00 O ATOM 354 OD2 ASP A 98 -0.071 -20.280 -4.797 1.00 0.00 O ATOM 0 H ASP A 98 1.986 -17.090 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 98 0.852 -16.148 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.060 -18.392 -6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 98 1.691 -18.446 -6.356 1.00 0.00 H new ATOM 359 N ALA A 99 -0.567 -15.381 -3.859 1.00 0.00 N ATOM 360 CA ALA A 99 -1.725 -15.007 -3.057 1.00 0.00 C ATOM 361 C ALA A 99 -2.606 -14.008 -3.798 1.00 0.00 C ATOM 362 O ALA A 99 -2.412 -13.756 -4.987 1.00 0.00 O ATOM 363 CB ALA A 99 -1.277 -14.430 -1.723 1.00 0.00 C ATOM 0 H ALA A 99 0.114 -14.633 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.315 -15.905 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.152 -14.155 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.694 -15.175 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.663 -13.546 -1.897 1.00 0.00 H new ATOM 369 N LYS A 100 -3.575 -13.439 -3.087 1.00 0.00 N ATOM 370 CA LYS A 100 -4.486 -12.466 -3.679 1.00 0.00 C ATOM 371 C LYS A 100 -3.983 -11.045 -3.453 1.00 0.00 C ATOM 372 O LYS A 100 -4.762 -10.092 -3.455 1.00 0.00 O ATOM 373 CB LYS A 100 -5.889 -12.622 -3.087 1.00 0.00 C ATOM 374 CG LYS A 100 -6.230 -14.050 -2.699 1.00 0.00 C ATOM 375 CD LYS A 100 -5.790 -15.037 -3.767 1.00 0.00 C ATOM 376 CE LYS A 100 -6.974 -15.790 -4.353 1.00 0.00 C ATOM 377 NZ LYS A 100 -6.743 -16.170 -5.774 1.00 0.00 N ATOM 0 H LYS A 100 -3.749 -13.635 -2.101 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.529 -12.652 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.976 -11.985 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.622 -12.266 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.747 -14.296 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.305 -14.138 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.267 -14.505 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.082 -15.747 -3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.161 -16.687 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.868 -15.171 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.573 -16.681 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.590 -15.313 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.905 -16.782 -5.838 1.00 0.00 H new ATOM 391 N ALA A 101 -2.675 -10.910 -3.261 1.00 0.00 N ATOM 392 CA ALA A 101 -2.067 -9.606 -3.034 1.00 0.00 C ATOM 393 C ALA A 101 -2.510 -9.020 -1.698 1.00 0.00 C ATOM 394 O ALA A 101 -3.265 -9.645 -0.953 1.00 0.00 O ATOM 395 CB ALA A 101 -2.418 -8.656 -4.169 1.00 0.00 C ATOM 0 H ALA A 101 -2.016 -11.689 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.985 -9.737 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.957 -7.685 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.048 -9.062 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.500 -8.539 -4.224 1.00 0.00 H new ATOM 401 N PHE A 102 -2.039 -7.813 -1.405 1.00 0.00 N ATOM 402 CA PHE A 102 -2.388 -7.137 -0.162 1.00 0.00 C ATOM 403 C PHE A 102 -3.656 -6.311 -0.339 1.00 0.00 C ATOM 404 O PHE A 102 -4.654 -6.527 0.350 1.00 0.00 O ATOM 405 CB PHE A 102 -1.238 -6.238 0.294 1.00 0.00 C ATOM 406 CG PHE A 102 -0.931 -6.351 1.760 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.956 -6.339 2.700 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.382 -6.469 2.201 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.676 -6.444 4.053 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.669 -6.573 3.553 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.361 -6.560 4.480 1.00 0.00 C ATOM 0 H PHE A 102 -1.414 -7.283 -2.012 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.569 -7.894 0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.344 -6.489 -0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.484 -5.202 0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.981 -6.247 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.188 -6.480 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.480 -6.436 4.774 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.693 -6.664 3.883 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.140 -6.640 5.534 1.00 0.00 H new ATOM 421 N ILE A 103 -3.609 -5.365 -1.270 1.00 0.00 N ATOM 422 CA ILE A 103 -4.750 -4.500 -1.548 1.00 0.00 C ATOM 423 C ILE A 103 -4.703 -3.981 -2.981 1.00 0.00 C ATOM 424 O ILE A 103 -4.051 -2.977 -3.266 1.00 0.00 O ATOM 425 CB ILE A 103 -4.800 -3.299 -0.585 1.00 0.00 C ATOM 426 CG1 ILE A 103 -4.730 -3.770 0.865 1.00 0.00 C ATOM 427 CG2 ILE A 103 -6.064 -2.485 -0.821 1.00 0.00 C ATOM 428 CD1 ILE A 103 -5.957 -4.529 1.305 1.00 0.00 C ATOM 0 H ILE A 103 -2.789 -5.177 -1.847 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.646 -5.105 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.936 -2.663 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.853 -4.405 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.594 -2.905 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -6.086 -1.639 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.074 -2.118 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -6.938 -3.113 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -5.842 -4.835 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.834 -3.889 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.082 -5.412 0.679 1.00 0.00 H new ATOM 440 N GLU A 104 -5.395 -4.674 -3.880 1.00 0.00 N ATOM 441 CA GLU A 104 -5.427 -4.282 -5.284 1.00 0.00 C ATOM 442 C GLU A 104 -6.647 -3.415 -5.581 1.00 0.00 C ATOM 443 O GLU A 104 -7.579 -3.344 -4.781 1.00 0.00 O ATOM 444 CB GLU A 104 -5.435 -5.521 -6.181 1.00 0.00 C ATOM 445 CG GLU A 104 -6.812 -6.144 -6.345 1.00 0.00 C ATOM 446 CD GLU A 104 -6.794 -7.374 -7.231 1.00 0.00 C ATOM 447 OE1 GLU A 104 -5.923 -7.450 -8.122 1.00 0.00 O ATOM 448 OE2 GLU A 104 -7.650 -8.261 -7.031 1.00 0.00 O ATOM 0 H GLU A 104 -5.940 -5.508 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.531 -3.697 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.048 -5.251 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.756 -6.265 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.204 -6.413 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.493 -5.406 -6.769 1.00 0.00 H new ATOM 455 N VAL A 105 -6.632 -2.760 -6.737 1.00 0.00 N ATOM 456 CA VAL A 105 -7.736 -1.898 -7.141 1.00 0.00 C ATOM 457 C VAL A 105 -9.063 -2.645 -7.085 1.00 0.00 C ATOM 458 O VAL A 105 -9.385 -3.429 -7.979 1.00 0.00 O ATOM 459 CB VAL A 105 -7.526 -1.347 -8.564 1.00 0.00 C ATOM 460 CG1 VAL A 105 -7.085 -2.455 -9.508 1.00 0.00 C ATOM 461 CG2 VAL A 105 -8.795 -0.677 -9.071 1.00 0.00 C ATOM 0 H VAL A 105 -5.867 -2.810 -7.410 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.762 -1.065 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.736 -0.597 -8.529 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -6.942 -2.046 -10.508 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.147 -2.883 -9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.849 -3.232 -9.540 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.627 -0.294 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.607 -1.404 -9.090 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.061 0.147 -8.409 1.00 0.00 H new ATOM 471 N GLY A 106 -9.831 -2.398 -6.029 1.00 0.00 N ATOM 472 CA GLY A 106 -11.114 -3.056 -5.874 1.00 0.00 C ATOM 473 C GLY A 106 -11.397 -3.445 -4.437 1.00 0.00 C ATOM 474 O GLY A 106 -12.552 -3.491 -4.014 1.00 0.00 O ATOM 0 H GLY A 106 -9.587 -1.753 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.903 -2.394 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.139 -3.948 -6.500 1.00 0.00 H new ATOM 478 N GLN A 107 -10.338 -3.725 -3.682 1.00 0.00 N ATOM 479 CA GLN A 107 -10.478 -4.110 -2.283 1.00 0.00 C ATOM 480 C GLN A 107 -10.884 -2.913 -1.428 1.00 0.00 C ATOM 481 O GLN A 107 -10.179 -1.905 -1.380 1.00 0.00 O ATOM 482 CB GLN A 107 -9.167 -4.702 -1.762 1.00 0.00 C ATOM 483 CG GLN A 107 -9.269 -6.170 -1.380 1.00 0.00 C ATOM 484 CD GLN A 107 -9.880 -7.017 -2.479 1.00 0.00 C ATOM 485 OE1 GLN A 107 -11.074 -6.924 -2.760 1.00 0.00 O ATOM 486 NE2 GLN A 107 -9.059 -7.852 -3.108 1.00 0.00 N ATOM 0 H GLN A 107 -9.375 -3.692 -4.016 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.262 -4.865 -2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.398 -4.587 -2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.841 -4.131 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.275 -6.550 -1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.870 -6.265 -0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.075 -7.897 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.413 -8.448 -3.856 1.00 0.00 H new ATOM 495 N LYS A 108 -12.025 -3.032 -0.756 1.00 0.00 N ATOM 496 CA LYS A 108 -12.524 -1.959 0.097 1.00 0.00 C ATOM 497 C LYS A 108 -11.931 -2.056 1.499 1.00 0.00 C ATOM 498 O LYS A 108 -12.417 -2.813 2.339 1.00 0.00 O ATOM 499 CB LYS A 108 -14.052 -2.010 0.173 1.00 0.00 C ATOM 500 CG LYS A 108 -14.696 -2.767 -0.976 1.00 0.00 C ATOM 501 CD LYS A 108 -16.167 -2.414 -1.122 1.00 0.00 C ATOM 502 CE LYS A 108 -16.901 -3.426 -1.986 1.00 0.00 C ATOM 503 NZ LYS A 108 -17.797 -2.767 -2.974 1.00 0.00 N ATOM 0 H LYS A 108 -12.621 -3.859 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.219 -1.009 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.345 -2.477 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.440 -0.992 0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.172 -2.537 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.593 -3.839 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.631 -2.371 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.262 -1.422 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.176 -4.048 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.488 -4.089 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.279 -3.492 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.505 -2.194 -2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.234 -2.154 -3.598 1.00 0.00 H new ATOM 517 N VAL A 109 -10.877 -1.283 1.744 1.00 0.00 N ATOM 518 CA VAL A 109 -10.218 -1.281 3.045 1.00 0.00 C ATOM 519 C VAL A 109 -11.173 -0.828 4.144 1.00 0.00 C ATOM 520 O VAL A 109 -12.315 -0.459 3.875 1.00 0.00 O ATOM 521 CB VAL A 109 -8.981 -0.365 3.047 1.00 0.00 C ATOM 522 CG1 VAL A 109 -7.866 -0.968 2.207 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.345 1.024 2.545 1.00 0.00 C ATOM 0 H VAL A 109 -10.462 -0.651 1.059 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.902 -2.306 3.241 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.622 -0.274 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.001 -0.305 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.586 -1.939 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.211 -1.093 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.458 1.658 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.731 0.954 1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.107 1.457 3.193 1.00 0.00 H new ATOM 533 N ASN A 110 -10.694 -0.853 5.385 1.00 0.00 N ATOM 534 CA ASN A 110 -11.498 -0.444 6.527 1.00 0.00 C ATOM 535 C ASN A 110 -10.633 -0.310 7.773 1.00 0.00 C ATOM 536 O ASN A 110 -9.816 -1.181 8.074 1.00 0.00 O ATOM 537 CB ASN A 110 -12.622 -1.448 6.784 1.00 0.00 C ATOM 538 CG ASN A 110 -13.778 -1.288 5.815 1.00 0.00 C ATOM 539 OD1 ASN A 110 -14.313 -0.192 5.645 1.00 0.00 O ATOM 540 ND2 ASN A 110 -14.170 -2.384 5.176 1.00 0.00 N ATOM 0 H ASN A 110 -9.749 -1.154 5.623 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.938 0.526 6.297 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.225 -2.460 6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -12.987 -1.326 7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -14.944 -2.339 4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -13.697 -3.271 5.348 1.00 0.00 H new ATOM 547 N VAL A 111 -10.821 0.786 8.491 1.00 0.00 N ATOM 548 CA VAL A 111 -10.065 1.046 9.710 1.00 0.00 C ATOM 549 C VAL A 111 -9.785 -0.246 10.469 1.00 0.00 C ATOM 550 O VAL A 111 -10.706 -0.988 10.812 1.00 0.00 O ATOM 551 CB VAL A 111 -10.811 2.021 10.639 1.00 0.00 C ATOM 552 CG1 VAL A 111 -10.471 3.461 10.287 1.00 0.00 C ATOM 553 CG2 VAL A 111 -12.313 1.787 10.563 1.00 0.00 C ATOM 0 H VAL A 111 -11.494 1.514 8.251 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.121 1.498 9.405 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.488 1.836 11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.008 4.135 10.954 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.398 3.619 10.398 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.763 3.662 9.256 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.824 2.485 11.226 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.654 1.943 9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.538 0.765 10.869 1.00 0.00 H new ATOM 563 N GLY A 112 -8.509 -0.512 10.727 1.00 0.00 N ATOM 564 CA GLY A 112 -8.132 -1.717 11.443 1.00 0.00 C ATOM 565 C GLY A 112 -7.841 -2.877 10.511 1.00 0.00 C ATOM 566 O GLY A 112 -7.887 -4.037 10.919 1.00 0.00 O ATOM 0 H GLY A 112 -7.729 0.085 10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.251 -1.514 12.052 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.934 -1.996 12.126 1.00 0.00 H new ATOM 570 N ASP A 113 -7.540 -2.561 9.256 1.00 0.00 N ATOM 571 CA ASP A 113 -7.239 -3.584 8.260 1.00 0.00 C ATOM 572 C ASP A 113 -5.974 -3.232 7.485 1.00 0.00 C ATOM 573 O ASP A 113 -5.978 -2.323 6.654 1.00 0.00 O ATOM 574 CB ASP A 113 -8.416 -3.746 7.295 1.00 0.00 C ATOM 575 CG ASP A 113 -8.462 -5.127 6.668 1.00 0.00 C ATOM 576 OD1 ASP A 113 -7.648 -5.986 7.065 1.00 0.00 O ATOM 577 OD2 ASP A 113 -9.313 -5.347 5.781 1.00 0.00 O ATOM 0 H ASP A 113 -7.498 -1.605 8.904 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.073 -4.527 8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.348 -3.561 7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.344 -2.995 6.509 1.00 0.00 H new ATOM 582 N THR A 114 -4.895 -3.955 7.765 1.00 0.00 N ATOM 583 CA THR A 114 -3.618 -3.724 7.097 1.00 0.00 C ATOM 584 C THR A 114 -3.828 -3.290 5.650 1.00 0.00 C ATOM 585 O THR A 114 -4.612 -3.895 4.918 1.00 0.00 O ATOM 586 CB THR A 114 -2.761 -4.989 7.143 1.00 0.00 C ATOM 587 OG1 THR A 114 -2.904 -5.646 8.390 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.286 -4.720 6.932 1.00 0.00 C ATOM 0 H THR A 114 -4.879 -4.709 8.452 1.00 0.00 H new ATOM 0 HA THR A 114 -3.101 -2.922 7.624 1.00 0.00 H new ATOM 0 HB THR A 114 -3.121 -5.612 6.325 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.349 -6.454 8.400 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.735 -5.659 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.136 -4.257 5.956 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.923 -4.049 7.711 1.00 0.00 H new ATOM 596 N LEU A 115 -3.124 -2.239 5.245 1.00 0.00 N ATOM 597 CA LEU A 115 -3.236 -1.722 3.885 1.00 0.00 C ATOM 598 C LEU A 115 -2.241 -2.410 2.955 1.00 0.00 C ATOM 599 O LEU A 115 -2.589 -3.356 2.251 1.00 0.00 O ATOM 600 CB LEU A 115 -3.005 -0.210 3.870 1.00 0.00 C ATOM 601 CG LEU A 115 -4.214 0.631 4.284 1.00 0.00 C ATOM 602 CD1 LEU A 115 -3.907 2.113 4.145 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.432 0.255 3.454 1.00 0.00 C ATOM 0 H LEU A 115 -2.470 -1.728 5.838 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.244 -1.932 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.174 0.022 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.701 0.086 2.866 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.435 0.425 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.779 2.695 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.062 2.371 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.659 2.338 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.283 0.863 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.222 0.432 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.665 -0.799 3.606 1.00 0.00 H new ATOM 615 N CYS A 116 -1.004 -1.927 2.956 1.00 0.00 N ATOM 616 CA CYS A 116 0.036 -2.499 2.107 1.00 0.00 C ATOM 617 C CYS A 116 1.343 -2.663 2.877 1.00 0.00 C ATOM 618 O CYS A 116 1.367 -2.577 4.104 1.00 0.00 O ATOM 619 CB CYS A 116 0.264 -1.618 0.877 1.00 0.00 C ATOM 620 SG CYS A 116 1.073 -0.041 1.237 1.00 0.00 S ATOM 0 H CYS A 116 -0.697 -1.144 3.533 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.300 -3.484 1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.869 -2.168 0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.697 -1.421 0.402 1.00 0.00 H new ATOM 0 HG CYS A 116 1.034 0.717 0.182 1.00 0.00 H new ATOM 626 N ILE A 117 2.427 -2.903 2.146 1.00 0.00 N ATOM 627 CA ILE A 117 3.737 -3.082 2.759 1.00 0.00 C ATOM 628 C ILE A 117 4.682 -1.947 2.382 1.00 0.00 C ATOM 629 O ILE A 117 5.053 -1.795 1.219 1.00 0.00 O ATOM 630 CB ILE A 117 4.377 -4.419 2.339 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.297 -5.412 1.904 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.206 -4.992 3.479 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.787 -6.842 1.830 1.00 0.00 C ATOM 0 H ILE A 117 2.423 -2.978 1.129 1.00 0.00 H new ATOM 0 HA ILE A 117 3.580 -3.082 3.838 1.00 0.00 H new ATOM 0 HB ILE A 117 5.039 -4.238 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.462 -5.358 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 117 2.915 -5.116 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.651 -5.936 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.996 -4.289 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.566 -5.162 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 117 2.970 -7.491 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.602 -6.910 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.143 -7.156 2.811 1.00 0.00 H new ATOM 645 N VAL A 118 5.073 -1.157 3.376 1.00 0.00 N ATOM 646 CA VAL A 118 5.980 -0.039 3.150 1.00 0.00 C ATOM 647 C VAL A 118 7.388 -0.379 3.624 1.00 0.00 C ATOM 648 O VAL A 118 7.948 0.306 4.480 1.00 0.00 O ATOM 649 CB VAL A 118 5.499 1.234 3.871 1.00 0.00 C ATOM 650 CG1 VAL A 118 5.668 1.090 5.375 1.00 0.00 C ATOM 651 CG2 VAL A 118 6.245 2.455 3.357 1.00 0.00 C ATOM 0 H VAL A 118 4.776 -1.270 4.345 1.00 0.00 H new ATOM 0 HA VAL A 118 5.992 0.149 2.076 1.00 0.00 H new ATOM 0 HB VAL A 118 4.439 1.371 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.323 1.999 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 118 5.082 0.241 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.720 0.927 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 118 5.891 3.344 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 118 7.313 2.331 3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.067 2.567 2.288 1.00 0.00 H new ATOM 661 N GLU A 119 7.952 -1.446 3.062 1.00 0.00 N ATOM 662 CA GLU A 119 9.294 -1.887 3.426 1.00 0.00 C ATOM 663 C GLU A 119 10.196 -0.698 3.744 1.00 0.00 C ATOM 664 O GLU A 119 10.842 -0.141 2.858 1.00 0.00 O ATOM 665 CB GLU A 119 9.905 -2.717 2.296 1.00 0.00 C ATOM 666 CG GLU A 119 10.117 -4.178 2.660 1.00 0.00 C ATOM 667 CD GLU A 119 11.400 -4.740 2.080 1.00 0.00 C ATOM 668 OE1 GLU A 119 11.965 -4.108 1.163 1.00 0.00 O ATOM 669 OE2 GLU A 119 11.840 -5.813 2.543 1.00 0.00 O ATOM 0 H GLU A 119 7.499 -2.021 2.352 1.00 0.00 H new ATOM 0 HA GLU A 119 9.213 -2.505 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.256 -2.659 1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.862 -2.280 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.137 -4.280 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.272 -4.765 2.301 1.00 0.00 H new ATOM 676 N ALA A 120 10.233 -0.316 5.018 1.00 0.00 N ATOM 677 CA ALA A 120 11.055 0.805 5.456 1.00 0.00 C ATOM 678 C ALA A 120 12.253 0.321 6.265 1.00 0.00 C ATOM 679 O ALA A 120 12.162 -0.668 6.992 1.00 0.00 O ATOM 680 CB ALA A 120 10.222 1.780 6.273 1.00 0.00 C ATOM 0 H ALA A 120 9.703 -0.767 5.764 1.00 0.00 H new ATOM 0 HA ALA A 120 11.431 1.319 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.848 2.613 6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.401 2.157 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.819 1.270 7.148 1.00 0.00 H new ATOM 686 N MET A 121 13.375 1.021 6.131 1.00 0.00 N ATOM 687 CA MET A 121 14.594 0.661 6.848 1.00 0.00 C ATOM 688 C MET A 121 14.863 -0.835 6.730 1.00 0.00 C ATOM 689 O MET A 121 15.528 -1.428 7.580 1.00 0.00 O ATOM 690 CB MET A 121 14.489 1.074 8.322 1.00 0.00 C ATOM 691 CG MET A 121 13.995 -0.030 9.245 1.00 0.00 C ATOM 692 SD MET A 121 12.975 0.597 10.592 1.00 0.00 S ATOM 693 CE MET A 121 11.340 0.161 10.007 1.00 0.00 C ATOM 0 H MET A 121 13.466 1.842 5.532 1.00 0.00 H new ATOM 0 HA MET A 121 15.430 1.196 6.397 1.00 0.00 H new ATOM 0 HB2 MET A 121 15.468 1.408 8.665 1.00 0.00 H new ATOM 0 HB3 MET A 121 13.815 1.927 8.402 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.421 -0.753 8.666 1.00 0.00 H new ATOM 0 HG3 MET A 121 14.851 -0.562 9.660 1.00 0.00 H new ATOM 0 HE1 MET A 121 10.589 0.621 10.649 1.00 0.00 H new ATOM 0 HE2 MET A 121 11.212 0.518 8.985 1.00 0.00 H new ATOM 0 HE3 MET A 121 11.222 -0.922 10.030 1.00 0.00 H new ATOM 703 N LYS A 122 14.340 -1.437 5.670 1.00 0.00 N ATOM 704 CA LYS A 122 14.516 -2.863 5.432 1.00 0.00 C ATOM 705 C LYS A 122 13.558 -3.679 6.290 1.00 0.00 C ATOM 706 O LYS A 122 13.965 -4.619 6.972 1.00 0.00 O ATOM 707 CB LYS A 122 15.960 -3.278 5.721 1.00 0.00 C ATOM 708 CG LYS A 122 16.503 -4.312 4.745 1.00 0.00 C ATOM 709 CD LYS A 122 15.488 -5.412 4.474 1.00 0.00 C ATOM 710 CE LYS A 122 16.172 -6.726 4.126 1.00 0.00 C ATOM 711 NZ LYS A 122 16.175 -7.656 5.252 1.00 0.00 N ATOM 0 H LYS A 122 13.788 -0.957 4.959 1.00 0.00 H new ATOM 0 HA LYS A 122 14.294 -3.060 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.596 -2.394 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.018 -3.679 6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.770 -3.824 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.416 -4.750 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 122 14.856 -5.550 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.834 -5.112 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 122 15.665 -7.185 3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 122 17.198 -6.529 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 16.650 -8.538 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 16.681 -7.229 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 15.196 -7.864 5.533 1.00 0.00 H new ATOM 722 N MET A 123 12.281 -3.315 6.250 1.00 0.00 N ATOM 723 CA MET A 123 11.264 -4.018 7.022 1.00 0.00 C ATOM 724 C MET A 123 9.869 -3.716 6.493 1.00 0.00 C ATOM 725 O MET A 123 9.470 -2.558 6.379 1.00 0.00 O ATOM 726 CB MET A 123 11.348 -3.636 8.498 1.00 0.00 C ATOM 727 CG MET A 123 12.764 -3.633 9.049 1.00 0.00 C ATOM 728 SD MET A 123 12.828 -3.198 10.798 1.00 0.00 S ATOM 729 CE MET A 123 12.458 -4.780 11.554 1.00 0.00 C ATOM 0 H MET A 123 11.926 -2.538 5.692 1.00 0.00 H new ATOM 0 HA MET A 123 11.452 -5.087 6.919 1.00 0.00 H new ATOM 0 HB2 MET A 123 10.913 -2.646 8.633 1.00 0.00 H new ATOM 0 HB3 MET A 123 10.743 -4.332 9.079 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.207 -4.619 8.907 1.00 0.00 H new ATOM 0 HG3 MET A 123 13.369 -2.927 8.481 1.00 0.00 H new ATOM 0 HE1 MET A 123 12.461 -4.674 12.639 1.00 0.00 H new ATOM 0 HE2 MET A 123 11.476 -5.120 11.225 1.00 0.00 H new ATOM 0 HE3 MET A 123 13.212 -5.510 11.259 1.00 0.00 H new ATOM 739 N MET A 124 9.133 -4.771 6.176 1.00 0.00 N ATOM 740 CA MET A 124 7.777 -4.638 5.658 1.00 0.00 C ATOM 741 C MET A 124 6.877 -3.922 6.660 1.00 0.00 C ATOM 742 O MET A 124 6.082 -4.553 7.358 1.00 0.00 O ATOM 743 CB MET A 124 7.197 -6.015 5.329 1.00 0.00 C ATOM 744 CG MET A 124 7.679 -7.117 6.258 1.00 0.00 C ATOM 745 SD MET A 124 8.929 -8.169 5.496 1.00 0.00 S ATOM 746 CE MET A 124 9.672 -8.913 6.946 1.00 0.00 C ATOM 0 H MET A 124 9.454 -5.735 6.269 1.00 0.00 H new ATOM 0 HA MET A 124 7.821 -4.042 4.747 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.109 -5.962 5.376 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.460 -6.275 4.304 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.089 -6.670 7.164 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.830 -7.729 6.561 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.467 -9.593 6.639 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.088 -8.132 7.583 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.914 -9.467 7.500 1.00 0.00 H new ATOM 756 N ASN A 125 7.005 -2.601 6.725 1.00 0.00 N ATOM 757 CA ASN A 125 6.200 -1.801 7.642 1.00 0.00 C ATOM 758 C ASN A 125 4.744 -1.761 7.189 1.00 0.00 C ATOM 759 O ASN A 125 4.268 -0.745 6.682 1.00 0.00 O ATOM 760 CB ASN A 125 6.758 -0.380 7.737 1.00 0.00 C ATOM 761 CG ASN A 125 7.385 -0.095 9.088 1.00 0.00 C ATOM 762 OD1 ASN A 125 7.967 -0.981 9.714 1.00 0.00 O ATOM 763 ND2 ASN A 125 7.269 1.147 9.545 1.00 0.00 N ATOM 0 H ASN A 125 7.657 -2.062 6.155 1.00 0.00 H new ATOM 0 HA ASN A 125 6.243 -2.265 8.627 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.503 -0.232 6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.956 0.335 7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.671 1.398 10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 125 6.778 1.850 8.993 1.00 0.00 H new ATOM 770 N GLN A 126 4.042 -2.873 7.374 1.00 0.00 N ATOM 771 CA GLN A 126 2.641 -2.968 6.983 1.00 0.00 C ATOM 772 C GLN A 126 1.840 -1.789 7.527 1.00 0.00 C ATOM 773 O GLN A 126 1.933 -1.455 8.708 1.00 0.00 O ATOM 774 CB GLN A 126 2.039 -4.282 7.485 1.00 0.00 C ATOM 775 CG GLN A 126 2.057 -4.420 8.998 1.00 0.00 C ATOM 776 CD GLN A 126 3.272 -5.175 9.500 1.00 0.00 C ATOM 777 OE1 GLN A 126 4.003 -4.692 10.364 1.00 0.00 O ATOM 778 NE2 GLN A 126 3.493 -6.367 8.958 1.00 0.00 N ATOM 0 H GLN A 126 4.421 -3.722 7.793 1.00 0.00 H new ATOM 0 HA GLN A 126 2.592 -2.944 5.894 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.010 -4.358 7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.588 -5.115 7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 126 2.038 -3.428 9.450 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.153 -4.936 9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.860 -6.728 8.244 1.00 0.00 H new ATOM 0 HE22 GLN A 126 4.296 -6.922 9.255 1.00 0.00 H new ATOM 787 N ILE A 127 1.053 -1.165 6.657 1.00 0.00 N ATOM 788 CA ILE A 127 0.232 -0.027 7.051 1.00 0.00 C ATOM 789 C ILE A 127 -1.173 -0.472 7.435 1.00 0.00 C ATOM 790 O ILE A 127 -1.602 -1.572 7.085 1.00 0.00 O ATOM 791 CB ILE A 127 0.138 1.018 5.921 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.535 1.377 5.411 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.591 2.261 6.409 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.424 1.991 6.469 1.00 0.00 C ATOM 0 H ILE A 127 0.967 -1.428 5.675 1.00 0.00 H new ATOM 0 HA ILE A 127 0.716 0.428 7.915 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.430 0.589 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 127 2.014 0.478 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.441 2.073 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.649 2.990 5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.598 1.991 6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.049 2.694 7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.398 2.220 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.967 2.908 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.548 1.288 7.293 1.00 0.00 H new ATOM 806 N GLU A 128 -1.886 0.386 8.157 1.00 0.00 N ATOM 807 CA GLU A 128 -3.244 0.075 8.589 1.00 0.00 C ATOM 808 C GLU A 128 -4.208 1.194 8.208 1.00 0.00 C ATOM 809 O GLU A 128 -3.862 2.374 8.271 1.00 0.00 O ATOM 810 CB GLU A 128 -3.280 -0.153 10.102 1.00 0.00 C ATOM 811 CG GLU A 128 -2.560 -1.416 10.544 1.00 0.00 C ATOM 812 CD GLU A 128 -1.840 -1.245 11.867 1.00 0.00 C ATOM 813 OE1 GLU A 128 -1.227 -0.177 12.077 1.00 0.00 O ATOM 814 OE2 GLU A 128 -1.889 -2.179 12.695 1.00 0.00 O ATOM 0 H GLU A 128 -1.547 1.301 8.455 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.559 -0.837 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.830 0.705 10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -4.319 -0.204 10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -3.281 -2.229 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -1.841 -1.706 9.778 1.00 0.00 H new ATOM 821 N ALA A 129 -5.419 0.816 7.811 1.00 0.00 N ATOM 822 CA ALA A 129 -6.434 1.785 7.418 1.00 0.00 C ATOM 823 C ALA A 129 -6.802 2.698 8.584 1.00 0.00 C ATOM 824 O ALA A 129 -6.968 2.240 9.714 1.00 0.00 O ATOM 825 CB ALA A 129 -7.671 1.071 6.895 1.00 0.00 C ATOM 0 H ALA A 129 -5.721 -0.157 7.753 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.021 2.404 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.421 1.807 6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.403 0.466 6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.077 0.428 7.676 1.00 0.00 H new ATOM 831 N ASP A 130 -6.926 3.990 8.301 1.00 0.00 N ATOM 832 CA ASP A 130 -7.274 4.967 9.325 1.00 0.00 C ATOM 833 C ASP A 130 -8.625 5.612 9.030 1.00 0.00 C ATOM 834 O ASP A 130 -9.162 6.355 9.852 1.00 0.00 O ATOM 835 CB ASP A 130 -6.192 6.045 9.420 1.00 0.00 C ATOM 836 CG ASP A 130 -4.848 5.479 9.832 1.00 0.00 C ATOM 837 OD1 ASP A 130 -4.724 4.239 9.912 1.00 0.00 O ATOM 838 OD2 ASP A 130 -3.917 6.277 10.074 1.00 0.00 O ATOM 0 H ASP A 130 -6.791 4.385 7.370 1.00 0.00 H new ATOM 0 HA ASP A 130 -7.343 4.444 10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -6.093 6.543 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.500 6.803 10.140 1.00 0.00 H new ATOM 843 N LYS A 131 -9.170 5.324 7.852 1.00 0.00 N ATOM 844 CA LYS A 131 -10.460 5.877 7.451 1.00 0.00 C ATOM 845 C LYS A 131 -11.083 5.046 6.335 1.00 0.00 C ATOM 846 O LYS A 131 -11.743 5.580 5.444 1.00 0.00 O ATOM 847 CB LYS A 131 -10.296 7.326 6.989 1.00 0.00 C ATOM 848 CG LYS A 131 -9.253 7.503 5.898 1.00 0.00 C ATOM 849 CD LYS A 131 -9.664 8.578 4.904 1.00 0.00 C ATOM 850 CE LYS A 131 -10.371 7.981 3.698 1.00 0.00 C ATOM 851 NZ LYS A 131 -11.348 8.932 3.100 1.00 0.00 N ATOM 0 H LYS A 131 -8.739 4.712 7.159 1.00 0.00 H new ATOM 0 HA LYS A 131 -11.123 5.850 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -11.256 7.693 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.022 7.943 7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -8.296 7.768 6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -9.108 6.558 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.322 9.296 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -8.782 9.127 4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -9.633 7.699 2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -10.888 7.069 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -11.809 8.487 2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.067 9.182 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -10.851 9.793 2.793 1.00 0.00 H new ATOM 865 N SER A 132 -10.868 3.736 6.391 1.00 0.00 N ATOM 866 CA SER A 132 -11.409 2.831 5.384 1.00 0.00 C ATOM 867 C SER A 132 -11.224 3.407 3.984 1.00 0.00 C ATOM 868 O SER A 132 -10.547 4.420 3.803 1.00 0.00 O ATOM 869 CB SER A 132 -12.894 2.572 5.648 1.00 0.00 C ATOM 870 OG SER A 132 -13.658 3.751 5.464 1.00 0.00 O ATOM 0 H SER A 132 -10.324 3.278 7.122 1.00 0.00 H new ATOM 0 HA SER A 132 -10.865 1.888 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 132 -13.255 1.792 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 132 -13.027 2.204 6.665 1.00 0.00 H new ATOM 0 HG SER A 132 -13.091 4.452 5.079 1.00 0.00 H new ATOM 876 N GLY A 133 -11.828 2.755 2.995 1.00 0.00 N ATOM 877 CA GLY A 133 -11.715 3.220 1.626 1.00 0.00 C ATOM 878 C GLY A 133 -11.752 2.084 0.621 1.00 0.00 C ATOM 879 O GLY A 133 -12.276 1.008 0.909 1.00 0.00 O ATOM 0 H GLY A 133 -12.393 1.914 3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.527 3.915 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.783 3.774 1.510 1.00 0.00 H new ATOM 883 N THR A 134 -11.196 2.328 -0.561 1.00 0.00 N ATOM 884 CA THR A 134 -11.167 1.321 -1.615 1.00 0.00 C ATOM 885 C THR A 134 -10.134 1.677 -2.680 1.00 0.00 C ATOM 886 O THR A 134 -10.315 2.630 -3.438 1.00 0.00 O ATOM 887 CB THR A 134 -12.548 1.189 -2.256 1.00 0.00 C ATOM 888 OG1 THR A 134 -13.520 0.840 -1.287 1.00 0.00 O ATOM 889 CG2 THR A 134 -12.602 0.150 -3.356 1.00 0.00 C ATOM 0 H THR A 134 -10.759 3.215 -0.813 1.00 0.00 H new ATOM 0 HA THR A 134 -10.887 0.368 -1.166 1.00 0.00 H new ATOM 0 HB THR A 134 -12.758 2.166 -2.691 1.00 0.00 H new ATOM 0 HG1 THR A 134 -13.073 0.582 -0.454 1.00 0.00 H new ATOM 0 HG21 THR A 134 -13.610 0.108 -3.768 1.00 0.00 H new ATOM 0 HG22 THR A 134 -11.899 0.418 -4.145 1.00 0.00 H new ATOM 0 HG23 THR A 134 -12.335 -0.825 -2.949 1.00 0.00 H new ATOM 897 N VAL A 135 -9.052 0.909 -2.734 1.00 0.00 N ATOM 898 CA VAL A 135 -7.995 1.150 -3.710 1.00 0.00 C ATOM 899 C VAL A 135 -8.575 1.362 -5.102 1.00 0.00 C ATOM 900 O VAL A 135 -9.567 0.735 -5.476 1.00 0.00 O ATOM 901 CB VAL A 135 -6.993 -0.019 -3.755 1.00 0.00 C ATOM 902 CG1 VAL A 135 -5.992 0.178 -4.884 1.00 0.00 C ATOM 903 CG2 VAL A 135 -6.279 -0.161 -2.419 1.00 0.00 C ATOM 0 H VAL A 135 -8.883 0.116 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.472 2.053 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.545 -0.939 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -5.292 -0.658 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.522 0.226 -5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.444 1.107 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.575 -0.992 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -5.739 0.759 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -7.011 -0.352 -1.634 1.00 0.00 H new ATOM 913 N LYS A 136 -7.949 2.249 -5.866 1.00 0.00 N ATOM 914 CA LYS A 136 -8.394 2.550 -7.212 1.00 0.00 C ATOM 915 C LYS A 136 -7.334 2.110 -8.205 1.00 0.00 C ATOM 916 O LYS A 136 -7.636 1.650 -9.307 1.00 0.00 O ATOM 917 CB LYS A 136 -8.672 4.055 -7.332 1.00 0.00 C ATOM 918 CG LYS A 136 -7.672 4.828 -8.184 1.00 0.00 C ATOM 919 CD LYS A 136 -7.519 6.256 -7.692 1.00 0.00 C ATOM 920 CE LYS A 136 -8.587 7.165 -8.277 1.00 0.00 C ATOM 921 NZ LYS A 136 -7.994 8.305 -9.029 1.00 0.00 N ATOM 0 H LYS A 136 -7.126 2.773 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.315 2.010 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -9.668 4.193 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -8.686 4.488 -6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -6.705 4.326 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -8.002 4.832 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -7.580 6.275 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -6.532 6.631 -7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -9.231 6.588 -8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -9.217 7.548 -7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -8.755 8.901 -9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -7.399 8.871 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -7.413 7.940 -9.811 1.00 0.00 H new ATOM 935 N ALA A 137 -6.084 2.267 -7.795 1.00 0.00 N ATOM 936 CA ALA A 137 -4.954 1.900 -8.630 1.00 0.00 C ATOM 937 C ALA A 137 -3.636 2.190 -7.925 1.00 0.00 C ATOM 938 O ALA A 137 -3.470 3.244 -7.311 1.00 0.00 O ATOM 939 CB ALA A 137 -5.027 2.654 -9.944 1.00 0.00 C ATOM 0 H ALA A 137 -5.828 2.648 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 137 -4.999 0.829 -8.826 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.178 2.378 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -5.954 2.401 -10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.001 3.726 -9.750 1.00 0.00 H new ATOM 945 N ILE A 138 -2.698 1.255 -8.017 1.00 0.00 N ATOM 946 CA ILE A 138 -1.397 1.426 -7.389 1.00 0.00 C ATOM 947 C ILE A 138 -0.433 2.125 -8.338 1.00 0.00 C ATOM 948 O ILE A 138 0.332 1.478 -9.052 1.00 0.00 O ATOM 949 CB ILE A 138 -0.789 0.077 -6.946 1.00 0.00 C ATOM 950 CG1 ILE A 138 -1.844 -1.032 -6.984 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.202 0.202 -5.551 1.00 0.00 C ATOM 952 CD1 ILE A 138 -3.086 -0.711 -6.182 1.00 0.00 C ATOM 0 H ILE A 138 -2.815 0.375 -8.519 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.550 2.040 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 138 0.008 -0.188 -7.641 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.128 -1.217 -8.020 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.404 -1.954 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.224 -0.755 -5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.579 0.963 -5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.987 0.488 -4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.790 -1.540 -6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.815 -0.555 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.550 0.194 -6.576 1.00 0.00 H new ATOM 964 N LEU A 139 -0.477 3.455 -8.342 1.00 0.00 N ATOM 965 CA LEU A 139 0.393 4.244 -9.206 1.00 0.00 C ATOM 966 C LEU A 139 1.767 3.599 -9.310 1.00 0.00 C ATOM 967 O LEU A 139 2.441 3.706 -10.334 1.00 0.00 O ATOM 968 CB LEU A 139 0.526 5.671 -8.670 1.00 0.00 C ATOM 969 CG LEU A 139 -0.798 6.386 -8.397 1.00 0.00 C ATOM 970 CD1 LEU A 139 -0.584 7.889 -8.311 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.815 6.050 -9.476 1.00 0.00 C ATOM 0 H LEU A 139 -1.105 4.007 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.054 4.281 -10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.104 5.643 -7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.099 6.260 -9.386 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.187 6.041 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.537 8.382 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.112 8.112 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.173 8.253 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.752 6.567 -9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.434 6.368 -10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.989 4.974 -9.489 1.00 0.00 H new ATOM 983 N VAL A 140 2.172 2.931 -8.240 1.00 0.00 N ATOM 984 CA VAL A 140 3.463 2.264 -8.196 1.00 0.00 C ATOM 985 C VAL A 140 3.339 0.799 -8.592 1.00 0.00 C ATOM 986 O VAL A 140 2.362 0.133 -8.254 1.00 0.00 O ATOM 987 CB VAL A 140 4.083 2.351 -6.791 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.267 1.403 -6.663 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.501 3.780 -6.484 1.00 0.00 C ATOM 0 H VAL A 140 1.621 2.837 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 140 4.111 2.775 -8.908 1.00 0.00 H new ATOM 0 HB VAL A 140 3.330 2.049 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.689 1.482 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 140 4.934 0.380 -6.837 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.026 1.668 -7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.938 3.825 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.237 4.109 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.628 4.432 -6.528 1.00 0.00 H new ATOM 999 N GLU A 141 4.346 0.301 -9.297 1.00 0.00 N ATOM 1000 CA GLU A 141 4.361 -1.088 -9.725 1.00 0.00 C ATOM 1001 C GLU A 141 4.746 -1.986 -8.558 1.00 0.00 C ATOM 1002 O GLU A 141 5.910 -2.029 -8.161 1.00 0.00 O ATOM 1003 CB GLU A 141 5.348 -1.281 -10.877 1.00 0.00 C ATOM 1004 CG GLU A 141 4.737 -1.035 -12.247 1.00 0.00 C ATOM 1005 CD GLU A 141 5.677 -1.403 -13.378 1.00 0.00 C ATOM 1006 OE1 GLU A 141 6.508 -2.317 -13.188 1.00 0.00 O ATOM 1007 OE2 GLU A 141 5.582 -0.779 -14.456 1.00 0.00 O ATOM 0 H GLU A 141 5.163 0.840 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 141 3.363 -1.357 -10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.193 -0.606 -10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 141 5.742 -2.297 -10.841 1.00 0.00 H new ATOM 0 HG2 GLU A 141 3.818 -1.614 -12.340 1.00 0.00 H new ATOM 0 HG3 GLU A 141 4.462 0.016 -12.335 1.00 0.00 H new ATOM 1014 N SER A 142 3.762 -2.689 -8.003 1.00 0.00 N ATOM 1015 CA SER A 142 4.008 -3.572 -6.870 1.00 0.00 C ATOM 1016 C SER A 142 5.387 -4.215 -6.975 1.00 0.00 C ATOM 1017 O SER A 142 5.792 -4.661 -8.049 1.00 0.00 O ATOM 1018 CB SER A 142 2.936 -4.656 -6.784 1.00 0.00 C ATOM 1019 OG SER A 142 2.775 -5.318 -8.027 1.00 0.00 O ATOM 0 H SER A 142 2.792 -2.664 -8.318 1.00 0.00 H new ATOM 0 HA SER A 142 3.970 -2.969 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.208 -5.380 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.988 -4.211 -6.481 1.00 0.00 H new ATOM 0 HG SER A 142 2.811 -6.287 -7.888 1.00 0.00 H new ATOM 1025 N GLY A 143 6.110 -4.247 -5.862 1.00 0.00 N ATOM 1026 CA GLY A 143 7.440 -4.825 -5.867 1.00 0.00 C ATOM 1027 C GLY A 143 8.485 -3.835 -6.336 1.00 0.00 C ATOM 1028 O GLY A 143 9.452 -4.207 -7.000 1.00 0.00 O ATOM 0 H GLY A 143 5.801 -3.885 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.690 -5.168 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.453 -5.701 -6.516 1.00 0.00 H new ATOM 1032 N GLN A 144 8.284 -2.564 -5.993 1.00 0.00 N ATOM 1033 CA GLN A 144 9.213 -1.512 -6.389 1.00 0.00 C ATOM 1034 C GLN A 144 9.355 -0.465 -5.287 1.00 0.00 C ATOM 1035 O GLN A 144 8.395 -0.159 -4.578 1.00 0.00 O ATOM 1036 CB GLN A 144 8.734 -0.855 -7.692 1.00 0.00 C ATOM 1037 CG GLN A 144 9.103 0.616 -7.821 1.00 0.00 C ATOM 1038 CD GLN A 144 9.493 0.996 -9.237 1.00 0.00 C ATOM 1039 OE1 GLN A 144 8.933 0.483 -10.205 1.00 0.00 O ATOM 1040 NE2 GLN A 144 10.457 1.901 -9.363 1.00 0.00 N ATOM 0 H GLN A 144 7.488 -2.240 -5.443 1.00 0.00 H new ATOM 0 HA GLN A 144 10.192 -1.961 -6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 144 9.156 -1.399 -8.537 1.00 0.00 H new ATOM 0 HB3 GLN A 144 7.650 -0.953 -7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 144 8.259 1.228 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 144 9.930 0.840 -7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 144 10.894 2.300 -8.532 1.00 0.00 H new ATOM 0 HE22 GLN A 144 10.761 2.197 -10.291 1.00 0.00 H new ATOM 1049 N PRO A 145 10.562 0.099 -5.136 1.00 0.00 N ATOM 1050 CA PRO A 145 10.840 1.120 -4.121 1.00 0.00 C ATOM 1051 C PRO A 145 10.179 2.455 -4.450 1.00 0.00 C ATOM 1052 O PRO A 145 9.627 2.634 -5.536 1.00 0.00 O ATOM 1053 CB PRO A 145 12.363 1.253 -4.160 1.00 0.00 C ATOM 1054 CG PRO A 145 12.743 0.841 -5.540 1.00 0.00 C ATOM 1055 CD PRO A 145 11.752 -0.216 -5.946 1.00 0.00 C ATOM 0 HA PRO A 145 10.449 0.841 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 145 12.677 2.276 -3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 145 12.835 0.616 -3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 145 12.710 1.690 -6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 145 13.761 0.451 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 145 11.534 -0.173 -7.013 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.126 -1.218 -5.737 1.00 0.00 H new ATOM 1063 N VAL A 146 10.238 3.390 -3.507 1.00 0.00 N ATOM 1064 CA VAL A 146 9.644 4.708 -3.701 1.00 0.00 C ATOM 1065 C VAL A 146 10.352 5.762 -2.855 1.00 0.00 C ATOM 1066 O VAL A 146 11.448 5.528 -2.344 1.00 0.00 O ATOM 1067 CB VAL A 146 8.145 4.707 -3.349 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.433 3.559 -4.047 1.00 0.00 C ATOM 1069 CG2 VAL A 146 7.951 4.627 -1.842 1.00 0.00 C ATOM 0 H VAL A 146 10.690 3.260 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 146 9.762 4.954 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 146 7.707 5.642 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.375 3.575 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.542 3.666 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.871 2.613 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.886 4.627 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.403 3.710 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.425 5.487 -1.368 1.00 0.00 H new ATOM 1079 N GLU A 147 9.720 6.922 -2.711 1.00 0.00 N ATOM 1080 CA GLU A 147 10.292 8.012 -1.927 1.00 0.00 C ATOM 1081 C GLU A 147 9.200 8.811 -1.221 1.00 0.00 C ATOM 1082 O GLU A 147 8.041 8.799 -1.634 1.00 0.00 O ATOM 1083 CB GLU A 147 11.114 8.936 -2.827 1.00 0.00 C ATOM 1084 CG GLU A 147 11.734 8.229 -4.021 1.00 0.00 C ATOM 1085 CD GLU A 147 12.706 9.110 -4.781 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.782 9.421 -4.229 1.00 0.00 O ATOM 1087 OE2 GLU A 147 12.392 9.488 -5.929 1.00 0.00 O ATOM 0 H GLU A 147 8.812 7.132 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 147 10.943 7.577 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.475 9.743 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.906 9.395 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 147 12.253 7.333 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 147 10.943 7.901 -4.695 1.00 0.00 H new ATOM 1094 N PHE A 148 9.580 9.507 -0.155 1.00 0.00 N ATOM 1095 CA PHE A 148 8.634 10.313 0.608 1.00 0.00 C ATOM 1096 C PHE A 148 7.780 11.174 -0.319 1.00 0.00 C ATOM 1097 O PHE A 148 8.291 11.798 -1.249 1.00 0.00 O ATOM 1098 CB PHE A 148 9.382 11.198 1.606 1.00 0.00 C ATOM 1099 CG PHE A 148 8.567 12.353 2.112 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.258 12.160 2.541 1.00 0.00 C ATOM 1101 CD2 PHE A 148 9.105 13.633 2.159 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.503 13.222 3.009 1.00 0.00 C ATOM 1103 CE2 PHE A 148 8.354 14.701 2.626 1.00 0.00 C ATOM 1104 CZ PHE A 148 7.051 14.494 3.051 1.00 0.00 C ATOM 0 H PHE A 148 10.536 9.529 0.200 1.00 0.00 H new ATOM 0 HA PHE A 148 7.974 9.639 1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.699 10.589 2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 148 10.286 11.581 1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 148 6.826 11.171 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 148 10.120 13.798 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.488 13.059 3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 148 8.783 15.692 2.659 1.00 0.00 H new ATOM 0 HZ PHE A 148 6.463 15.324 3.415 1.00 0.00 H new ATOM 1114 N ASP A 149 6.475 11.205 -0.060 1.00 0.00 N ATOM 1115 CA ASP A 149 5.551 11.990 -0.872 1.00 0.00 C ATOM 1116 C ASP A 149 5.441 11.417 -2.279 1.00 0.00 C ATOM 1117 O ASP A 149 5.283 12.155 -3.251 1.00 0.00 O ATOM 1118 CB ASP A 149 6.008 13.448 -0.937 1.00 0.00 C ATOM 1119 CG ASP A 149 4.974 14.353 -1.578 1.00 0.00 C ATOM 1120 OD1 ASP A 149 3.893 13.849 -1.950 1.00 0.00 O ATOM 1121 OD2 ASP A 149 5.245 15.566 -1.708 1.00 0.00 O ATOM 0 H ASP A 149 6.034 10.695 0.706 1.00 0.00 H new ATOM 0 HA ASP A 149 4.568 11.945 -0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.222 13.803 0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.939 13.509 -1.501 1.00 0.00 H new ATOM 1126 N GLU A 150 5.521 10.095 -2.379 1.00 0.00 N ATOM 1127 CA GLU A 150 5.425 9.425 -3.669 1.00 0.00 C ATOM 1128 C GLU A 150 4.180 8.549 -3.734 1.00 0.00 C ATOM 1129 O GLU A 150 4.265 7.324 -3.643 1.00 0.00 O ATOM 1130 CB GLU A 150 6.672 8.578 -3.928 1.00 0.00 C ATOM 1131 CG GLU A 150 7.934 9.400 -4.137 1.00 0.00 C ATOM 1132 CD GLU A 150 8.281 9.570 -5.603 1.00 0.00 C ATOM 1133 OE1 GLU A 150 7.494 9.112 -6.457 1.00 0.00 O ATOM 1134 OE2 GLU A 150 9.341 10.163 -5.897 1.00 0.00 O ATOM 0 H GLU A 150 5.652 9.468 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 150 5.352 10.191 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 150 6.824 7.903 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.503 7.957 -4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.804 10.382 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 150 8.766 8.919 -3.624 1.00 0.00 H new ATOM 1141 N PRO A 151 3.004 9.171 -3.898 1.00 0.00 N ATOM 1142 CA PRO A 151 1.737 8.453 -3.987 1.00 0.00 C ATOM 1143 C PRO A 151 1.889 7.136 -4.739 1.00 0.00 C ATOM 1144 O PRO A 151 2.390 7.109 -5.864 1.00 0.00 O ATOM 1145 CB PRO A 151 0.862 9.431 -4.765 1.00 0.00 C ATOM 1146 CG PRO A 151 1.354 10.781 -4.357 1.00 0.00 C ATOM 1147 CD PRO A 151 2.820 10.628 -4.018 1.00 0.00 C ATOM 0 HA PRO A 151 1.330 8.175 -3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 151 0.959 9.282 -5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.192 9.302 -4.519 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.217 11.502 -5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.795 11.153 -3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.456 11.049 -4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.071 11.141 -3.089 1.00 0.00 H new ATOM 1155 N LEU A 152 1.473 6.039 -4.110 1.00 0.00 N ATOM 1156 CA LEU A 152 1.588 4.728 -4.720 1.00 0.00 C ATOM 1157 C LEU A 152 0.262 3.985 -4.668 1.00 0.00 C ATOM 1158 O LEU A 152 -0.083 3.241 -5.585 1.00 0.00 O ATOM 1159 CB LEU A 152 2.653 3.919 -3.990 1.00 0.00 C ATOM 1160 CG LEU A 152 2.685 4.129 -2.479 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.311 2.934 -1.785 1.00 0.00 C ATOM 1162 CD2 LEU A 152 3.442 5.402 -2.145 1.00 0.00 C ATOM 0 H LEU A 152 1.055 6.038 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 152 1.870 4.857 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 152 2.490 2.861 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.630 4.175 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 152 1.661 4.229 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 152 3.324 3.104 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.728 2.039 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 152 4.331 2.799 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 152 3.459 5.542 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 152 4.464 5.326 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 152 2.948 6.253 -2.614 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.463 4.182 -3.576 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.738 3.526 -3.373 1.00 0.00 C ATOM 1176 C VAL A 153 -2.880 4.537 -3.315 1.00 0.00 C ATOM 1177 O VAL A 153 -3.012 5.286 -2.348 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.698 2.680 -2.079 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -3.025 2.715 -1.329 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -1.302 1.256 -2.411 1.00 0.00 C ATOM 0 H VAL A 153 -0.183 4.798 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.921 2.868 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 153 -0.951 3.115 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -2.950 2.107 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -3.261 3.743 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -3.815 2.320 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -1.275 0.663 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -2.030 0.827 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -0.316 1.251 -2.876 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.705 4.538 -4.352 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.844 5.443 -4.420 1.00 0.00 C ATOM 1192 C VAL A 154 -6.121 4.731 -3.992 1.00 0.00 C ATOM 1193 O VAL A 154 -6.528 3.747 -4.609 1.00 0.00 O ATOM 1194 CB VAL A 154 -5.043 6.004 -5.841 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.685 7.382 -5.784 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.721 6.054 -6.594 1.00 0.00 C ATOM 0 H VAL A 154 -3.607 3.922 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.633 6.270 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.713 5.336 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.818 7.763 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.655 7.311 -5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.042 8.060 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.887 6.453 -7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -3.021 6.696 -6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -3.307 5.049 -6.669 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.746 5.230 -2.929 1.00 0.00 N ATOM 1207 CA ILE A 155 -7.976 4.636 -2.416 1.00 0.00 C ATOM 1208 C ILE A 155 -9.173 5.556 -2.670 1.00 0.00 C ATOM 1209 O ILE A 155 -9.020 6.771 -2.794 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.841 4.304 -0.902 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -7.996 2.799 -0.677 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -8.846 5.072 -0.048 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -7.117 2.260 0.430 1.00 0.00 C ATOM 0 H ILE A 155 -6.421 6.044 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.150 3.702 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 155 -6.845 4.618 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -9.038 2.580 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -7.762 2.275 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -8.711 4.806 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -8.687 6.143 -0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.859 4.817 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -7.279 1.187 0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -6.071 2.447 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.367 2.757 1.367 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.362 4.964 -2.744 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.582 5.726 -2.982 1.00 0.00 C ATOM 1227 C GLU A 156 -12.660 5.360 -1.967 1.00 0.00 C ATOM 1228 O GLU A 156 -13.842 5.674 -2.221 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.095 5.475 -4.402 1.00 0.00 C ATOM 1230 CG GLU A 156 -12.610 6.727 -5.094 1.00 0.00 C ATOM 1231 CD GLU A 156 -11.734 7.155 -6.254 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -11.215 6.267 -6.965 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -11.567 8.376 -6.455 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.314 4.758 -0.929 1.00 0.00 O ATOM 0 H GLU A 156 -10.505 3.959 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 156 -11.348 6.784 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -11.291 5.045 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -12.895 4.736 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -13.623 6.547 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -12.670 7.539 -4.370 1.00 0.00 H new TER 1241 GLU A 156