USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 642 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 63 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 71:sc= -0.655 USER MOD Single : A 92 SER OG : rot 89:sc= 1.23 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= -0.834 K(o=-0.83,f=-5.1!) USER MOD Single : B 66 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.19) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 69 SER OG : rot 180:sc= 0.312 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -47:sc= -0.543 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 8.717 -1.509 5.083 1.00 0.00 N ATOM 2 CA ARG A 61 8.461 -2.906 4.754 1.00 0.00 C ATOM 3 C ARG A 61 9.401 -3.387 3.653 1.00 0.00 C ATOM 4 O ARG A 61 9.085 -3.291 2.467 1.00 0.00 O ATOM 5 CB ARG A 61 7.007 -3.090 4.315 1.00 0.00 C ATOM 6 CG ARG A 61 6.709 -4.473 3.759 1.00 0.00 C ATOM 7 CD ARG A 61 5.212 -4.716 3.644 1.00 0.00 C ATOM 8 NE ARG A 61 4.670 -4.203 2.389 1.00 0.00 N ATOM 9 CZ ARG A 61 3.373 -4.192 2.099 1.00 0.00 C ATOM 10 NH1 ARG A 61 2.492 -4.663 2.970 1.00 0.00 N ATOM 11 NH2 ARG A 61 2.957 -3.708 0.935 1.00 0.00 N ATOM 0 HA ARG A 61 8.642 -3.503 5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.353 -2.901 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.768 -2.344 3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.173 -4.580 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.153 -5.230 4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.012 -5.785 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.702 -4.239 4.481 1.00 0.00 H new ATOM 0 HE ARG A 61 5.322 -3.833 1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.809 -5.035 3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.497 -4.653 2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.633 -3.344 0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.962 -3.700 0.713 1.00 0.00 H new ATOM 25 N VAL A 62 10.558 -3.904 4.054 1.00 0.00 N ATOM 26 CA VAL A 62 11.544 -4.400 3.101 1.00 0.00 C ATOM 27 C VAL A 62 11.563 -3.549 1.836 1.00 0.00 C ATOM 28 O VAL A 62 10.944 -3.900 0.832 1.00 0.00 O ATOM 29 CB VAL A 62 11.266 -5.865 2.717 1.00 0.00 C ATOM 30 CG1 VAL A 62 9.798 -6.056 2.365 1.00 0.00 C ATOM 31 CG2 VAL A 62 12.159 -6.292 1.562 1.00 0.00 C ATOM 0 H VAL A 62 10.835 -3.990 5.032 1.00 0.00 H new ATOM 0 HA VAL A 62 12.516 -4.339 3.591 1.00 0.00 H new ATOM 0 HB VAL A 62 11.494 -6.496 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.621 -7.097 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.181 -5.793 3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.540 -5.415 1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.949 -7.330 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 62 11.965 -5.657 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.204 -6.196 1.855 1.00 0.00 H new ATOM 41 N GLN A 63 12.279 -2.431 1.893 1.00 0.00 N ATOM 42 CA GLN A 63 12.379 -1.530 0.751 1.00 0.00 C ATOM 43 C GLN A 63 13.332 -2.087 -0.301 1.00 0.00 C ATOM 44 O GLN A 63 13.973 -3.118 -0.089 1.00 0.00 O ATOM 45 CB GLN A 63 12.853 -0.148 1.205 1.00 0.00 C ATOM 46 CG GLN A 63 11.833 0.954 0.965 1.00 0.00 C ATOM 47 CD GLN A 63 12.367 2.329 1.315 1.00 0.00 C ATOM 48 OE1 GLN A 63 13.549 2.615 1.126 1.00 0.00 O ATOM 49 NE2 GLN A 63 11.495 3.190 1.828 1.00 0.00 N ATOM 0 H GLN A 63 12.798 -2.128 2.717 1.00 0.00 H new ATOM 0 HA GLN A 63 11.389 -1.439 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.091 -0.186 2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.775 0.101 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.530 0.942 -0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.940 0.753 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.524 2.910 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.796 4.131 2.082 1.00 0.00 H new ATOM 58 N LEU A 64 13.421 -1.401 -1.435 1.00 0.00 N ATOM 59 CA LEU A 64 14.297 -1.828 -2.521 1.00 0.00 C ATOM 60 C LEU A 64 14.619 -0.662 -3.450 1.00 0.00 C ATOM 61 O LEU A 64 14.232 0.477 -3.191 1.00 0.00 O ATOM 62 CB LEU A 64 13.644 -2.962 -3.313 1.00 0.00 C ATOM 63 CG LEU A 64 12.274 -2.654 -3.920 1.00 0.00 C ATOM 64 CD1 LEU A 64 12.428 -2.055 -5.309 1.00 0.00 C ATOM 65 CD2 LEU A 64 11.419 -3.912 -3.971 1.00 0.00 C ATOM 0 H LEU A 64 12.897 -0.547 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 64 15.228 -2.188 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.319 -3.252 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.542 -3.826 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 64 11.772 -1.923 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.443 -1.843 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 64 13.002 -1.131 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.949 -2.762 -5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.448 -3.675 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.916 -4.665 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.280 -4.299 -2.961 1.00 0.00 H new ATOM 77 N ALA A 65 15.327 -0.956 -4.536 1.00 0.00 N ATOM 78 CA ALA A 65 15.697 0.066 -5.506 1.00 0.00 C ATOM 79 C ALA A 65 16.776 0.988 -4.948 1.00 0.00 C ATOM 80 O ALA A 65 16.486 1.906 -4.179 1.00 0.00 O ATOM 81 CB ALA A 65 14.473 0.871 -5.918 1.00 0.00 C ATOM 0 H ALA A 65 15.655 -1.894 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 65 16.103 -0.433 -6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.764 1.631 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.734 0.206 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.042 1.353 -5.040 1.00 0.00 H new ATOM 87 N HIS A 66 18.022 0.739 -5.339 1.00 0.00 N ATOM 88 CA HIS A 66 19.144 1.548 -4.877 1.00 0.00 C ATOM 89 C HIS A 66 20.298 1.495 -5.873 1.00 0.00 C ATOM 90 O HIS A 66 21.462 1.642 -5.499 1.00 0.00 O ATOM 91 CB HIS A 66 19.617 1.065 -3.505 1.00 0.00 C ATOM 92 CG HIS A 66 19.812 2.172 -2.515 1.00 0.00 C ATOM 93 ND1 HIS A 66 21.053 2.569 -2.064 1.00 0.00 N ATOM 94 CD2 HIS A 66 18.913 2.969 -1.890 1.00 0.00 C ATOM 95 CE1 HIS A 66 20.910 3.561 -1.204 1.00 0.00 C ATOM 96 NE2 HIS A 66 19.621 3.823 -1.081 1.00 0.00 N ATOM 0 H HIS A 66 18.280 -0.016 -5.974 1.00 0.00 H new ATOM 0 HA HIS A 66 18.806 2.581 -4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 66 18.890 0.357 -3.108 1.00 0.00 H new ATOM 0 HB3 HIS A 66 20.556 0.525 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS A 66 17.840 2.939 -2.006 1.00 0.00 H new ATOM 0 HE1 HIS A 66 21.711 4.071 -0.689 1.00 0.00 H new ATOM 0 HE2 HIS A 66 19.217 4.543 -0.482 1.00 0.00 H new ATOM 104 N HIS A 67 19.968 1.283 -7.143 1.00 0.00 N ATOM 105 CA HIS A 67 20.978 1.211 -8.194 1.00 0.00 C ATOM 106 C HIS A 67 20.330 0.970 -9.554 1.00 0.00 C ATOM 107 O HIS A 67 19.207 0.472 -9.639 1.00 0.00 O ATOM 108 CB HIS A 67 21.981 0.098 -7.890 1.00 0.00 C ATOM 109 CG HIS A 67 23.409 0.512 -8.074 1.00 0.00 C ATOM 110 ND1 HIS A 67 24.174 0.119 -9.152 1.00 0.00 N ATOM 111 CD2 HIS A 67 24.210 1.292 -7.310 1.00 0.00 C ATOM 112 CE1 HIS A 67 25.384 0.637 -9.042 1.00 0.00 C ATOM 113 NE2 HIS A 67 25.432 1.353 -7.933 1.00 0.00 N ATOM 0 H HIS A 67 19.010 1.158 -7.470 1.00 0.00 H new ATOM 0 HA HIS A 67 21.504 2.165 -8.225 1.00 0.00 H new ATOM 0 HB2 HIS A 67 21.838 -0.238 -6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 67 21.772 -0.755 -8.536 1.00 0.00 H new ATOM 0 HD2 HIS A 67 23.938 1.776 -6.383 1.00 0.00 H new ATOM 0 HE1 HIS A 67 26.196 0.499 -9.740 1.00 0.00 H new ATOM 0 HE2 HIS A 67 26.245 1.868 -7.594 1.00 0.00 H new ATOM 121 N PHE A 68 21.044 1.328 -10.616 1.00 0.00 N ATOM 122 CA PHE A 68 20.538 1.153 -11.972 1.00 0.00 C ATOM 123 C PHE A 68 20.234 -0.315 -12.254 1.00 0.00 C ATOM 124 O PHE A 68 20.615 -1.198 -11.485 1.00 0.00 O ATOM 125 CB PHE A 68 21.552 1.681 -12.990 1.00 0.00 C ATOM 126 CG PHE A 68 20.936 2.534 -14.062 1.00 0.00 C ATOM 127 CD1 PHE A 68 20.373 3.761 -13.752 1.00 0.00 C ATOM 128 CD2 PHE A 68 20.921 2.108 -15.381 1.00 0.00 C ATOM 129 CE1 PHE A 68 19.807 4.548 -14.736 1.00 0.00 C ATOM 130 CE2 PHE A 68 20.356 2.891 -16.369 1.00 0.00 C ATOM 131 CZ PHE A 68 19.797 4.112 -16.047 1.00 0.00 C ATOM 0 H PHE A 68 21.975 1.741 -10.564 1.00 0.00 H new ATOM 0 HA PHE A 68 19.612 1.721 -12.064 1.00 0.00 H new ATOM 0 HB2 PHE A 68 22.312 2.261 -12.467 1.00 0.00 H new ATOM 0 HB3 PHE A 68 22.061 0.837 -13.456 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.377 4.106 -12.729 1.00 0.00 H new ATOM 0 HD2 PHE A 68 21.356 1.154 -15.639 1.00 0.00 H new ATOM 0 HE1 PHE A 68 19.373 5.503 -14.481 1.00 0.00 H new ATOM 0 HE2 PHE A 68 20.351 2.548 -17.393 1.00 0.00 H new ATOM 0 HZ PHE A 68 19.353 4.724 -16.818 1.00 0.00 H new ATOM 141 N SER A 69 19.546 -0.569 -13.363 1.00 0.00 N ATOM 142 CA SER A 69 19.187 -1.929 -13.745 1.00 0.00 C ATOM 143 C SER A 69 18.411 -1.938 -15.059 1.00 0.00 C ATOM 144 O SER A 69 18.822 -2.571 -16.030 1.00 0.00 O ATOM 145 CB SER A 69 18.354 -2.588 -12.644 1.00 0.00 C ATOM 146 OG SER A 69 18.847 -3.881 -12.336 1.00 0.00 O ATOM 0 H SER A 69 19.226 0.150 -14.012 1.00 0.00 H new ATOM 0 HA SER A 69 20.108 -2.496 -13.883 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.371 -1.966 -11.749 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.314 -2.658 -12.963 1.00 0.00 H new ATOM 0 HG SER A 69 18.299 -4.280 -11.629 1.00 0.00 H new ATOM 152 N GLU A 70 17.286 -1.229 -15.079 1.00 0.00 N ATOM 153 CA GLU A 70 16.452 -1.156 -16.272 1.00 0.00 C ATOM 154 C GLU A 70 16.138 -2.552 -16.804 1.00 0.00 C ATOM 155 O GLU A 70 16.597 -2.954 -17.873 1.00 0.00 O ATOM 156 CB GLU A 70 17.146 -0.329 -17.357 1.00 0.00 C ATOM 157 CG GLU A 70 17.807 0.934 -16.830 1.00 0.00 C ATOM 158 CD GLU A 70 17.727 2.087 -17.812 1.00 0.00 C ATOM 159 OE1 GLU A 70 18.220 1.935 -18.948 1.00 0.00 O ATOM 160 OE2 GLU A 70 17.170 3.142 -17.442 1.00 0.00 O ATOM 0 H GLU A 70 16.932 -0.698 -14.283 1.00 0.00 H new ATOM 0 HA GLU A 70 15.515 -0.671 -15.999 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.899 -0.946 -17.846 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.415 -0.056 -18.118 1.00 0.00 H new ATOM 0 HG2 GLU A 70 17.331 1.225 -15.894 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.853 0.725 -16.605 1.00 0.00 H new ATOM 167 N PRO A 71 15.338 -3.309 -16.040 1.00 0.00 N ATOM 168 CA PRO A 71 14.945 -4.671 -16.412 1.00 0.00 C ATOM 169 C PRO A 71 13.993 -4.694 -17.603 1.00 0.00 C ATOM 170 O PRO A 71 14.042 -5.603 -18.431 1.00 0.00 O ATOM 171 CB PRO A 71 14.243 -5.194 -15.157 1.00 0.00 C ATOM 172 CG PRO A 71 13.748 -3.973 -14.463 1.00 0.00 C ATOM 173 CD PRO A 71 14.755 -2.895 -14.752 1.00 0.00 C ATOM 0 HA PRO A 71 15.801 -5.272 -16.720 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.422 -5.864 -15.413 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.930 -5.758 -14.525 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.760 -3.691 -14.826 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.656 -4.144 -13.390 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.285 -1.914 -14.821 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.512 -2.832 -13.970 1.00 0.00 H new ATOM 181 N GLU A 72 13.127 -3.688 -17.683 1.00 0.00 N ATOM 182 CA GLU A 72 12.164 -3.595 -18.773 1.00 0.00 C ATOM 183 C GLU A 72 11.571 -2.191 -18.856 1.00 0.00 C ATOM 184 O GLU A 72 10.462 -2.003 -19.357 1.00 0.00 O ATOM 185 CB GLU A 72 11.046 -4.622 -18.585 1.00 0.00 C ATOM 186 CG GLU A 72 11.289 -5.929 -19.321 1.00 0.00 C ATOM 187 CD GLU A 72 11.659 -7.065 -18.387 1.00 0.00 C ATOM 188 OE1 GLU A 72 10.973 -7.234 -17.357 1.00 0.00 O ATOM 189 OE2 GLU A 72 12.634 -7.785 -18.686 1.00 0.00 O ATOM 0 H GLU A 72 13.073 -2.927 -17.006 1.00 0.00 H new ATOM 0 HA GLU A 72 12.688 -3.806 -19.705 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.931 -4.830 -17.521 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.106 -4.190 -18.929 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.392 -6.200 -19.879 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.087 -5.788 -20.050 1.00 0.00 H new ATOM 196 N ILE A 73 12.317 -1.210 -18.362 1.00 0.00 N ATOM 197 CA ILE A 73 11.867 0.176 -18.381 1.00 0.00 C ATOM 198 C ILE A 73 11.520 0.622 -19.797 1.00 0.00 C ATOM 199 O ILE A 73 10.392 1.029 -20.074 1.00 0.00 O ATOM 200 CB ILE A 73 12.934 1.124 -17.803 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.276 0.726 -16.365 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.450 2.565 -17.859 1.00 0.00 C ATOM 203 CD1 ILE A 73 12.115 0.871 -15.406 1.00 0.00 C ATOM 0 H ILE A 73 13.237 -1.349 -17.943 1.00 0.00 H new ATOM 0 HA ILE A 73 10.974 0.225 -17.758 1.00 0.00 H new ATOM 0 HB ILE A 73 13.837 1.042 -18.408 1.00 0.00 H new ATOM 0 HG12 ILE A 73 13.618 -0.309 -16.355 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.106 1.340 -16.014 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.216 3.222 -17.447 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.253 2.843 -18.894 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.534 2.664 -17.276 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.429 0.572 -14.406 1.00 0.00 H new ATOM 0 HD12 ILE A 73 11.786 1.910 -15.387 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.292 0.236 -15.733 1.00 0.00 H new ATOM 215 N THR A 74 12.499 0.542 -20.693 1.00 0.00 N ATOM 216 CA THR A 74 12.299 0.936 -22.082 1.00 0.00 C ATOM 217 C THR A 74 11.038 0.301 -22.657 1.00 0.00 C ATOM 218 O THR A 74 10.262 0.958 -23.352 1.00 0.00 O ATOM 219 CB THR A 74 13.504 0.543 -22.957 1.00 0.00 C ATOM 220 OG1 THR A 74 14.698 1.149 -22.449 1.00 0.00 O ATOM 221 CG2 THR A 74 13.287 0.971 -24.401 1.00 0.00 C ATOM 0 H THR A 74 13.439 0.208 -20.481 1.00 0.00 H new ATOM 0 HA THR A 74 12.193 2.021 -22.091 1.00 0.00 H new ATOM 0 HB THR A 74 13.607 -0.542 -22.927 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.459 0.892 -23.010 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.151 0.683 -25.000 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.394 0.485 -24.794 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.160 2.053 -24.445 1.00 0.00 H new ATOM 229 N LEU A 75 10.840 -0.979 -22.365 1.00 0.00 N ATOM 230 CA LEU A 75 9.672 -1.703 -22.853 1.00 0.00 C ATOM 231 C LEU A 75 8.383 -1.009 -22.426 1.00 0.00 C ATOM 232 O LEU A 75 7.501 -0.755 -23.248 1.00 0.00 O ATOM 233 CB LEU A 75 9.685 -3.142 -22.333 1.00 0.00 C ATOM 234 CG LEU A 75 10.696 -4.083 -22.989 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.572 -5.485 -22.413 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.503 -4.106 -24.498 1.00 0.00 C ATOM 0 H LEU A 75 11.473 -1.537 -21.793 1.00 0.00 H new ATOM 0 HA LEU A 75 9.713 -1.716 -23.942 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.883 -3.118 -21.261 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.688 -3.564 -22.464 1.00 0.00 H new ATOM 0 HG LEU A 75 11.699 -3.712 -22.777 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.299 -6.141 -22.892 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.761 -5.456 -21.340 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.567 -5.865 -22.594 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.231 -4.781 -24.948 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.496 -4.452 -24.731 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.644 -3.102 -24.898 1.00 0.00 H new ATOM 248 N ILE A 76 8.281 -0.702 -21.137 1.00 0.00 N ATOM 249 CA ILE A 76 7.101 -0.033 -20.603 1.00 0.00 C ATOM 250 C ILE A 76 6.831 1.276 -21.337 1.00 0.00 C ATOM 251 O ILE A 76 5.699 1.556 -21.731 1.00 0.00 O ATOM 252 CB ILE A 76 7.251 0.256 -19.098 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.450 -1.048 -18.323 1.00 0.00 C ATOM 254 CG2 ILE A 76 6.035 1.007 -18.579 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.326 -2.042 -18.515 1.00 0.00 C ATOM 0 H ILE A 76 9.001 -0.906 -20.444 1.00 0.00 H new ATOM 0 HA ILE A 76 6.260 -0.710 -20.753 1.00 0.00 H new ATOM 0 HB ILE A 76 8.131 0.882 -18.949 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.388 -1.507 -18.635 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.545 -0.820 -17.261 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.156 1.204 -17.514 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.935 1.952 -19.114 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.140 0.405 -18.737 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.534 -2.942 -17.937 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.389 -1.601 -18.176 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.245 -2.300 -19.571 1.00 0.00 H new ATOM 267 N ILE A 77 7.879 2.073 -21.517 1.00 0.00 N ATOM 268 CA ILE A 77 7.755 3.352 -22.206 1.00 0.00 C ATOM 269 C ILE A 77 7.303 3.157 -23.649 1.00 0.00 C ATOM 270 O ILE A 77 6.358 3.800 -24.108 1.00 0.00 O ATOM 271 CB ILE A 77 9.086 4.127 -22.197 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.482 4.488 -20.764 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.975 5.379 -23.054 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.595 5.542 -20.140 1.00 0.00 C ATOM 0 H ILE A 77 8.822 1.856 -21.196 1.00 0.00 H new ATOM 0 HA ILE A 77 7.004 3.930 -21.667 1.00 0.00 H new ATOM 0 HB ILE A 77 9.864 3.490 -22.618 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.451 3.588 -20.149 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.513 4.842 -20.759 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.923 5.916 -23.038 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.735 5.098 -24.079 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.187 6.021 -22.660 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.934 5.748 -19.125 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.644 6.456 -20.732 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.566 5.182 -20.113 1.00 0.00 H new ATOM 286 N PHE A 78 7.982 2.263 -24.361 1.00 0.00 N ATOM 287 CA PHE A 78 7.650 1.982 -25.753 1.00 0.00 C ATOM 288 C PHE A 78 6.181 1.594 -25.894 1.00 0.00 C ATOM 289 O PHE A 78 5.477 2.095 -26.769 1.00 0.00 O ATOM 290 CB PHE A 78 8.540 0.862 -26.296 1.00 0.00 C ATOM 291 CG PHE A 78 8.113 0.357 -27.644 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.564 0.969 -28.803 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.259 -0.729 -27.753 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.173 0.506 -30.045 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.865 -1.196 -28.993 1.00 0.00 C ATOM 296 CZ PHE A 78 7.322 -0.577 -30.140 1.00 0.00 C ATOM 0 H PHE A 78 8.765 1.721 -23.997 1.00 0.00 H new ATOM 0 HA PHE A 78 7.825 2.888 -26.332 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.566 1.224 -26.361 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.538 0.032 -25.589 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.229 1.818 -28.735 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.897 -1.216 -26.859 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.533 0.991 -30.940 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.200 -2.044 -29.065 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.014 -0.940 -31.110 1.00 0.00 H new ATOM 306 N GLY A 79 5.727 0.696 -25.025 1.00 0.00 N ATOM 307 CA GLY A 79 4.345 0.254 -25.069 1.00 0.00 C ATOM 308 C GLY A 79 3.365 1.404 -24.951 1.00 0.00 C ATOM 309 O GLY A 79 2.491 1.574 -25.801 1.00 0.00 O ATOM 0 H GLY A 79 6.291 0.267 -24.292 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.166 -0.277 -26.004 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.168 -0.455 -24.260 1.00 0.00 H new ATOM 313 N VAL A 80 3.508 2.196 -23.893 1.00 0.00 N ATOM 314 CA VAL A 80 2.627 3.335 -23.666 1.00 0.00 C ATOM 315 C VAL A 80 2.742 4.352 -24.796 1.00 0.00 C ATOM 316 O VAL A 80 1.760 4.991 -25.172 1.00 0.00 O ATOM 317 CB VAL A 80 2.944 4.031 -22.329 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.975 5.178 -22.082 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.902 3.031 -21.184 1.00 0.00 C ATOM 0 H VAL A 80 4.226 2.069 -23.180 1.00 0.00 H new ATOM 0 HA VAL A 80 1.609 2.947 -23.633 1.00 0.00 H new ATOM 0 HB VAL A 80 3.952 4.443 -22.384 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.214 5.658 -21.133 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.060 5.906 -22.889 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.956 4.792 -22.047 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.128 3.541 -20.247 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.908 2.587 -21.125 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.639 2.247 -21.358 1.00 0.00 H new ATOM 329 N MET A 81 3.949 4.497 -25.334 1.00 0.00 N ATOM 330 CA MET A 81 4.192 5.435 -26.423 1.00 0.00 C ATOM 331 C MET A 81 3.451 5.007 -27.686 1.00 0.00 C ATOM 332 O MET A 81 2.832 5.827 -28.362 1.00 0.00 O ATOM 333 CB MET A 81 5.691 5.541 -26.709 1.00 0.00 C ATOM 334 CG MET A 81 6.442 6.397 -25.702 1.00 0.00 C ATOM 335 SD MET A 81 6.391 8.153 -26.107 1.00 0.00 S ATOM 336 CE MET A 81 6.913 8.874 -24.552 1.00 0.00 C ATOM 0 H MET A 81 4.773 3.977 -25.033 1.00 0.00 H new ATOM 0 HA MET A 81 3.818 6.412 -26.117 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.123 4.540 -26.717 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.834 5.958 -27.706 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.015 6.244 -24.711 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.480 6.069 -25.655 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.932 9.960 -24.643 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.215 8.588 -23.766 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.910 8.514 -24.300 1.00 0.00 H new ATOM 346 N ALA A 82 3.519 3.716 -27.997 1.00 0.00 N ATOM 347 CA ALA A 82 2.853 3.179 -29.178 1.00 0.00 C ATOM 348 C ALA A 82 1.337 3.270 -29.042 1.00 0.00 C ATOM 349 O ALA A 82 0.647 3.717 -29.957 1.00 0.00 O ATOM 350 CB ALA A 82 3.279 1.738 -29.414 1.00 0.00 C ATOM 0 H ALA A 82 4.028 3.023 -27.448 1.00 0.00 H new ATOM 0 HA ALA A 82 3.151 3.779 -30.038 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.774 1.350 -30.299 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.358 1.698 -29.565 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.011 1.133 -28.548 1.00 0.00 H new ATOM 356 N GLY A 83 0.824 2.841 -27.892 1.00 0.00 N ATOM 357 CA GLY A 83 -0.608 2.882 -27.658 1.00 0.00 C ATOM 358 C GLY A 83 -1.164 4.291 -27.705 1.00 0.00 C ATOM 359 O GLY A 83 -2.121 4.565 -28.429 1.00 0.00 O ATOM 0 H GLY A 83 1.374 2.466 -27.119 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.113 2.271 -28.406 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.827 2.441 -26.686 1.00 0.00 H new ATOM 363 N VAL A 84 -0.563 5.188 -26.929 1.00 0.00 N ATOM 364 CA VAL A 84 -1.004 6.577 -26.885 1.00 0.00 C ATOM 365 C VAL A 84 -1.054 7.183 -28.283 1.00 0.00 C ATOM 366 O VAL A 84 -2.100 7.655 -28.729 1.00 0.00 O ATOM 367 CB VAL A 84 -0.077 7.432 -26.000 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.403 8.910 -26.156 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.189 7.005 -24.544 1.00 0.00 C ATOM 0 H VAL A 84 0.230 4.978 -26.323 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.006 6.577 -26.456 1.00 0.00 H new ATOM 0 HB VAL A 84 0.952 7.275 -26.324 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.262 9.498 -25.523 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.268 9.204 -27.197 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.437 9.088 -25.860 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.472 7.619 -23.933 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.217 7.132 -24.206 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.098 5.958 -24.449 1.00 0.00 H new ATOM 379 N ILE A 85 0.084 7.167 -28.970 1.00 0.00 N ATOM 380 CA ILE A 85 0.169 7.713 -30.318 1.00 0.00 C ATOM 381 C ILE A 85 -0.859 7.066 -31.240 1.00 0.00 C ATOM 382 O ILE A 85 -1.492 7.740 -32.052 1.00 0.00 O ATOM 383 CB ILE A 85 1.574 7.517 -30.917 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.627 8.191 -30.036 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.628 8.070 -32.334 1.00 0.00 C ATOM 386 CD1 ILE A 85 4.035 7.700 -30.292 1.00 0.00 C ATOM 0 H ILE A 85 0.959 6.782 -28.615 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.038 8.780 -30.239 1.00 0.00 H new ATOM 0 HB ILE A 85 1.790 6.449 -30.956 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.591 9.268 -30.201 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.376 8.020 -28.989 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.627 7.924 -32.744 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.901 7.548 -32.956 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.394 9.135 -32.318 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.728 8.222 -29.632 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.087 6.628 -30.099 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.306 7.896 -31.330 1.00 0.00 H new ATOM 398 N GLY A 86 -1.022 5.753 -31.106 1.00 0.00 N ATOM 399 CA GLY A 86 -1.976 5.036 -31.932 1.00 0.00 C ATOM 400 C GLY A 86 -3.390 5.561 -31.773 1.00 0.00 C ATOM 401 O GLY A 86 -4.060 5.872 -32.759 1.00 0.00 O ATOM 0 H GLY A 86 -0.511 5.173 -30.440 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.678 5.114 -32.978 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.953 3.978 -31.673 1.00 0.00 H new ATOM 405 N THR A 87 -3.847 5.659 -30.529 1.00 0.00 N ATOM 406 CA THR A 87 -5.190 6.147 -30.244 1.00 0.00 C ATOM 407 C THR A 87 -5.404 7.540 -30.824 1.00 0.00 C ATOM 408 O THR A 87 -6.433 7.814 -31.443 1.00 0.00 O ATOM 409 CB THR A 87 -5.464 6.186 -28.729 1.00 0.00 C ATOM 410 OG1 THR A 87 -5.000 4.979 -28.115 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.949 6.364 -28.451 1.00 0.00 C ATOM 0 H THR A 87 -3.306 5.407 -29.702 1.00 0.00 H new ATOM 0 HA THR A 87 -5.885 5.451 -30.713 1.00 0.00 H new ATOM 0 HB THR A 87 -4.928 7.036 -28.308 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.020 4.969 -28.112 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.117 6.389 -27.374 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.292 7.299 -28.893 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.503 5.532 -28.886 1.00 0.00 H new ATOM 419 N ILE A 88 -4.426 8.416 -30.622 1.00 0.00 N ATOM 420 CA ILE A 88 -4.508 9.781 -31.127 1.00 0.00 C ATOM 421 C ILE A 88 -4.788 9.797 -32.626 1.00 0.00 C ATOM 422 O ILE A 88 -5.706 10.475 -33.090 1.00 0.00 O ATOM 423 CB ILE A 88 -3.209 10.562 -30.851 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.928 10.613 -29.348 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.304 11.968 -31.425 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.474 10.862 -29.013 1.00 0.00 C ATOM 0 H ILE A 88 -3.568 8.205 -30.112 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.332 10.263 -30.601 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.382 10.046 -31.339 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.536 11.399 -28.900 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.241 9.672 -28.896 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.379 12.507 -31.222 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.462 11.911 -32.502 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.139 12.494 -30.963 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.349 10.886 -27.930 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.862 10.063 -29.432 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.162 11.817 -29.435 1.00 0.00 H new ATOM 438 N LEU A 89 -3.994 9.043 -33.378 1.00 0.00 N ATOM 439 CA LEU A 89 -4.158 8.968 -34.826 1.00 0.00 C ATOM 440 C LEU A 89 -5.570 8.522 -35.192 1.00 0.00 C ATOM 441 O LEU A 89 -6.261 9.185 -35.966 1.00 0.00 O ATOM 442 CB LEU A 89 -3.135 8.002 -35.425 1.00 0.00 C ATOM 443 CG LEU A 89 -1.700 8.522 -35.527 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.720 7.365 -35.647 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.559 9.468 -36.710 1.00 0.00 C ATOM 0 H LEU A 89 -3.231 8.475 -33.010 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.993 9.964 -35.238 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.129 7.093 -34.824 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.471 7.722 -36.424 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.468 9.074 -34.616 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.296 7.754 -35.719 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.802 6.726 -34.768 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.950 6.785 -36.541 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.532 9.828 -36.767 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.810 8.940 -37.630 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.234 10.314 -36.581 1.00 0.00 H new ATOM 457 N LEU A 90 -5.994 7.396 -34.628 1.00 0.00 N ATOM 458 CA LEU A 90 -7.325 6.862 -34.893 1.00 0.00 C ATOM 459 C LEU A 90 -8.402 7.882 -34.535 1.00 0.00 C ATOM 460 O LEU A 90 -9.280 8.181 -35.344 1.00 0.00 O ATOM 461 CB LEU A 90 -7.545 5.572 -34.101 1.00 0.00 C ATOM 462 CG LEU A 90 -6.640 4.396 -34.469 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.624 3.364 -33.352 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.094 3.762 -35.776 1.00 0.00 C ATOM 0 H LEU A 90 -5.435 6.836 -33.985 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.397 6.644 -35.959 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.409 5.792 -33.042 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.582 5.261 -34.231 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.626 4.772 -34.603 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.975 2.535 -33.632 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.251 3.824 -32.437 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.635 2.993 -33.185 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.438 2.927 -36.022 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.117 3.401 -35.669 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.052 4.503 -36.574 1.00 0.00 H new ATOM 476 N ILE A 91 -8.326 8.412 -33.319 1.00 0.00 N ATOM 477 CA ILE A 91 -9.292 9.401 -32.856 1.00 0.00 C ATOM 478 C ILE A 91 -9.372 10.583 -33.815 1.00 0.00 C ATOM 479 O ILE A 91 -10.459 11.003 -34.210 1.00 0.00 O ATOM 480 CB ILE A 91 -8.938 9.918 -31.449 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.151 8.817 -30.408 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.773 11.144 -31.110 1.00 0.00 C ATOM 483 CD1 ILE A 91 -10.598 8.405 -30.253 1.00 0.00 C ATOM 0 H ILE A 91 -7.606 8.173 -32.637 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.260 8.902 -32.818 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.886 10.204 -31.437 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.561 7.944 -30.688 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.774 9.161 -29.445 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.512 11.498 -30.113 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.576 11.931 -31.838 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.831 10.882 -31.136 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.674 7.621 -29.499 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.190 9.266 -29.943 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.974 8.030 -31.205 1.00 0.00 H new ATOM 495 N SER A 92 -8.212 11.115 -34.188 1.00 0.00 N ATOM 496 CA SER A 92 -8.150 12.251 -35.100 1.00 0.00 C ATOM 497 C SER A 92 -8.893 11.948 -36.397 1.00 0.00 C ATOM 498 O SER A 92 -9.443 12.846 -37.035 1.00 0.00 O ATOM 499 CB SER A 92 -6.694 12.608 -35.405 1.00 0.00 C ATOM 500 OG SER A 92 -5.983 12.911 -34.217 1.00 0.00 O ATOM 0 H SER A 92 -7.303 10.777 -33.873 1.00 0.00 H new ATOM 0 HA SER A 92 -8.632 13.101 -34.616 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.212 11.776 -35.919 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.660 13.462 -36.081 1.00 0.00 H new ATOM 0 HG SER A 92 -5.602 12.088 -33.845 1.00 0.00 H new ATOM 506 N TYR A 93 -8.906 10.676 -36.780 1.00 0.00 N ATOM 507 CA TYR A 93 -9.579 10.253 -38.003 1.00 0.00 C ATOM 508 C TYR A 93 -11.094 10.299 -37.833 1.00 0.00 C ATOM 509 O TYR A 93 -11.824 10.652 -38.759 1.00 0.00 O ATOM 510 CB TYR A 93 -9.140 8.839 -38.388 1.00 0.00 C ATOM 511 CG TYR A 93 -9.666 8.387 -39.732 1.00 0.00 C ATOM 512 CD1 TYR A 93 -10.971 7.930 -39.871 1.00 0.00 C ATOM 513 CD2 TYR A 93 -8.859 8.418 -40.862 1.00 0.00 C ATOM 514 CE1 TYR A 93 -11.455 7.515 -41.096 1.00 0.00 C ATOM 515 CE2 TYR A 93 -9.335 8.007 -42.092 1.00 0.00 C ATOM 516 CZ TYR A 93 -10.634 7.556 -42.204 1.00 0.00 C ATOM 517 OH TYR A 93 -11.113 7.145 -43.426 1.00 0.00 O ATOM 0 H TYR A 93 -8.458 9.920 -36.262 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.299 10.942 -38.800 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.051 8.796 -38.400 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.478 8.141 -37.622 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.618 7.899 -39.006 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.841 8.770 -40.778 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.471 7.160 -41.186 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.694 8.039 -42.961 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.409 7.238 -44.101 1.00 0.00 H new ATOM 527 N GLY A 94 -11.562 9.938 -36.642 1.00 0.00 N ATOM 528 CA GLY A 94 -12.987 9.945 -36.371 1.00 0.00 C ATOM 529 C GLY A 94 -13.581 11.339 -36.427 1.00 0.00 C ATOM 530 O GLY A 94 -14.715 11.520 -36.874 1.00 0.00 O ATOM 0 H GLY A 94 -10.979 9.641 -35.860 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.495 9.308 -37.095 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.169 9.515 -35.386 1.00 0.00 H new ATOM 534 N ILE A 95 -12.816 12.325 -35.972 1.00 0.00 N ATOM 535 CA ILE A 95 -13.274 13.709 -35.973 1.00 0.00 C ATOM 536 C ILE A 95 -13.466 14.224 -37.395 1.00 0.00 C ATOM 537 O ILE A 95 -14.337 15.055 -37.653 1.00 0.00 O ATOM 538 CB ILE A 95 -12.285 14.630 -35.234 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.116 14.174 -33.783 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.762 16.073 -35.290 1.00 0.00 C ATOM 541 CD1 ILE A 95 -13.406 14.184 -32.993 1.00 0.00 C ATOM 0 H ILE A 95 -11.876 12.192 -35.598 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.231 13.725 -35.452 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.316 14.569 -35.729 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.701 13.166 -33.773 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.392 14.822 -33.289 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.053 16.711 -34.763 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.835 16.392 -36.330 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.741 16.151 -34.817 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.211 13.850 -31.974 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.812 15.195 -32.972 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -14.126 13.514 -33.463 1.00 0.00 H new ATOM 553 N ARG A 96 -12.647 13.724 -38.315 1.00 0.00 N ATOM 554 CA ARG A 96 -12.727 14.133 -39.712 1.00 0.00 C ATOM 555 C ARG A 96 -13.933 13.497 -40.397 1.00 0.00 C ATOM 556 O ARG A 96 -14.515 14.075 -41.315 1.00 0.00 O ATOM 557 CB ARG A 96 -11.445 13.748 -40.452 1.00 0.00 C ATOM 558 CG ARG A 96 -10.729 14.930 -41.085 1.00 0.00 C ATOM 559 CD ARG A 96 -10.730 14.834 -42.603 1.00 0.00 C ATOM 560 NE ARG A 96 -10.814 16.149 -43.234 1.00 0.00 N ATOM 561 CZ ARG A 96 -10.903 16.330 -44.547 1.00 0.00 C ATOM 562 NH1 ARG A 96 -10.922 15.285 -45.363 1.00 0.00 N ATOM 563 NH2 ARG A 96 -10.976 17.557 -45.045 1.00 0.00 N ATOM 0 H ARG A 96 -11.921 13.035 -38.118 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.844 15.216 -39.741 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.768 13.254 -39.755 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.688 13.023 -41.229 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.213 15.857 -40.778 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.702 14.971 -40.723 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.822 14.330 -42.935 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.572 14.222 -42.927 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.804 16.973 -42.633 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.868 14.340 -44.983 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.990 15.426 -46.371 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.964 18.363 -44.420 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.044 17.695 -46.053 1.00 0.00 H new ATOM 577 N ARG A 97 -14.303 12.303 -39.944 1.00 0.00 N ATOM 578 CA ARG A 97 -15.438 11.588 -40.514 1.00 0.00 C ATOM 579 C ARG A 97 -15.227 11.330 -42.003 1.00 0.00 C ATOM 580 O ARG A 97 -16.187 11.204 -42.765 1.00 0.00 O ATOM 581 CB ARG A 97 -16.728 12.383 -40.301 1.00 0.00 C ATOM 582 CG ARG A 97 -17.987 11.537 -40.394 1.00 0.00 C ATOM 583 CD ARG A 97 -19.150 12.185 -39.658 1.00 0.00 C ATOM 584 NE ARG A 97 -19.693 13.326 -40.390 1.00 0.00 N ATOM 585 CZ ARG A 97 -20.866 13.884 -40.115 1.00 0.00 C ATOM 586 NH1 ARG A 97 -21.615 13.409 -39.130 1.00 0.00 N ATOM 587 NH2 ARG A 97 -21.292 14.921 -40.826 1.00 0.00 N ATOM 0 H ARG A 97 -13.833 11.811 -39.184 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.522 10.628 -40.005 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.693 12.861 -39.322 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.780 13.180 -41.043 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.253 11.393 -41.441 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.795 10.549 -39.975 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.937 11.447 -39.502 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.819 12.511 -38.672 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.141 13.716 -41.154 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -21.291 12.613 -38.581 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -22.516 13.840 -38.921 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.718 15.290 -41.584 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -22.193 15.349 -40.614 1.00 0.00 H new ATOM 601 N LEU A 98 -13.965 11.254 -42.411 1.00 0.00 N ATOM 602 CA LEU A 98 -13.627 11.012 -43.810 1.00 0.00 C ATOM 603 C LEU A 98 -12.188 10.523 -43.945 1.00 0.00 C ATOM 604 O LEU A 98 -11.533 10.292 -42.930 1.00 0.00 O ATOM 605 CB LEU A 98 -13.823 12.288 -44.630 1.00 0.00 C ATOM 606 CG LEU A 98 -14.629 12.138 -45.921 1.00 0.00 C ATOM 607 CD1 LEU A 98 -16.095 11.882 -45.608 1.00 0.00 C ATOM 608 CD2 LEU A 98 -14.476 13.377 -46.792 1.00 0.00 C ATOM 0 H LEU A 98 -13.159 11.356 -41.794 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.292 10.237 -44.191 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.317 13.028 -44.001 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.841 12.688 -44.883 1.00 0.00 H new ATOM 0 HG LEU A 98 -14.241 11.281 -46.472 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -16.653 11.778 -46.539 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -16.188 10.966 -45.025 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -16.496 12.719 -45.036 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -15.056 13.253 -47.706 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -14.837 14.250 -46.249 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -13.425 13.516 -47.045 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 -6.511 -15.304 -18.525 1.00 0.00 N ATOM 622 CA ARG B 61 -6.217 -14.770 -19.849 1.00 0.00 C ATOM 623 C ARG B 61 -6.822 -15.653 -20.937 1.00 0.00 C ATOM 624 O ARG B 61 -6.835 -16.878 -20.822 1.00 0.00 O ATOM 625 CB ARG B 61 -4.705 -14.657 -20.053 1.00 0.00 C ATOM 626 CG ARG B 61 -4.298 -13.516 -20.971 1.00 0.00 C ATOM 627 CD ARG B 61 -4.536 -12.164 -20.319 1.00 0.00 C ATOM 628 NE ARG B 61 -4.826 -11.124 -21.303 1.00 0.00 N ATOM 629 CZ ARG B 61 -5.057 -9.855 -20.986 1.00 0.00 C ATOM 630 NH1 ARG B 61 -5.031 -9.470 -19.717 1.00 0.00 N ATOM 631 NH2 ARG B 61 -5.313 -8.968 -21.938 1.00 0.00 N ATOM 0 HA ARG B 61 -6.662 -13.777 -19.920 1.00 0.00 H new ATOM 0 HB2 ARG B 61 -4.225 -14.521 -19.084 1.00 0.00 H new ATOM 0 HB3 ARG B 61 -4.331 -15.594 -20.465 1.00 0.00 H new ATOM 0 HG2 ARG B 61 -3.244 -13.615 -21.231 1.00 0.00 H new ATOM 0 HG3 ARG B 61 -4.863 -13.577 -21.901 1.00 0.00 H new ATOM 0 HD2 ARG B 61 -5.367 -12.241 -19.618 1.00 0.00 H new ATOM 0 HD3 ARG B 61 -3.656 -11.881 -19.741 1.00 0.00 H new ATOM 0 HE ARG B 61 -4.853 -11.387 -22.288 1.00 0.00 H new ATOM 0 HH11 ARG B 61 -4.833 -10.149 -18.982 1.00 0.00 H new ATOM 0 HH12 ARG B 61 -5.209 -8.495 -19.476 1.00 0.00 H new ATOM 0 HH21 ARG B 61 -5.333 -9.260 -22.915 1.00 0.00 H new ATOM 0 HH22 ARG B 61 -5.490 -7.994 -21.693 1.00 0.00 H new ATOM 645 N VAL B 62 -7.324 -15.020 -21.993 1.00 0.00 N ATOM 646 CA VAL B 62 -7.931 -15.747 -23.102 1.00 0.00 C ATOM 647 C VAL B 62 -7.397 -15.252 -24.441 1.00 0.00 C ATOM 648 O VAL B 62 -6.513 -14.397 -24.490 1.00 0.00 O ATOM 649 CB VAL B 62 -9.465 -15.610 -23.091 1.00 0.00 C ATOM 650 CG1 VAL B 62 -10.044 -16.187 -21.808 1.00 0.00 C ATOM 651 CG2 VAL B 62 -9.870 -14.154 -23.261 1.00 0.00 C ATOM 0 H VAL B 62 -7.322 -14.006 -22.104 1.00 0.00 H new ATOM 0 HA VAL B 62 -7.667 -16.797 -22.974 1.00 0.00 H new ATOM 0 HB VAL B 62 -9.869 -16.176 -23.930 1.00 0.00 H new ATOM 0 HG11 VAL B 62 -11.129 -16.081 -21.819 1.00 0.00 H new ATOM 0 HG12 VAL B 62 -9.783 -17.243 -21.734 1.00 0.00 H new ATOM 0 HG13 VAL B 62 -9.635 -15.651 -20.951 1.00 0.00 H new ATOM 0 HG21 VAL B 62 -10.957 -14.075 -23.251 1.00 0.00 H new ATOM 0 HG22 VAL B 62 -9.456 -13.563 -22.444 1.00 0.00 H new ATOM 0 HG23 VAL B 62 -9.488 -13.778 -24.210 1.00 0.00 H new ATOM 661 N GLN B 63 -7.941 -15.794 -25.526 1.00 0.00 N ATOM 662 CA GLN B 63 -7.519 -15.407 -26.867 1.00 0.00 C ATOM 663 C GLN B 63 -6.051 -15.751 -27.096 1.00 0.00 C ATOM 664 O GLN B 63 -5.249 -15.752 -26.161 1.00 0.00 O ATOM 665 CB GLN B 63 -7.743 -13.909 -27.082 1.00 0.00 C ATOM 666 CG GLN B 63 -7.073 -13.367 -28.334 1.00 0.00 C ATOM 667 CD GLN B 63 -7.619 -13.989 -29.604 1.00 0.00 C ATOM 668 OE1 GLN B 63 -6.861 -14.440 -30.464 1.00 0.00 O ATOM 669 NE2 GLN B 63 -8.940 -14.017 -29.730 1.00 0.00 N ATOM 0 H GLN B 63 -8.675 -16.502 -25.503 1.00 0.00 H new ATOM 0 HA GLN B 63 -8.120 -15.964 -27.585 1.00 0.00 H new ATOM 0 HB2 GLN B 63 -8.814 -13.715 -27.140 1.00 0.00 H new ATOM 0 HB3 GLN B 63 -7.367 -13.366 -26.215 1.00 0.00 H new ATOM 0 HG2 GLN B 63 -7.209 -12.286 -28.376 1.00 0.00 H new ATOM 0 HG3 GLN B 63 -6.000 -13.551 -28.276 1.00 0.00 H new ATOM 0 HE21 GLN B 63 -9.531 -13.632 -28.993 1.00 0.00 H new ATOM 0 HE22 GLN B 63 -9.364 -14.423 -30.564 1.00 0.00 H new ATOM 678 N LEU B 64 -5.705 -16.043 -28.345 1.00 0.00 N ATOM 679 CA LEU B 64 -4.332 -16.389 -28.698 1.00 0.00 C ATOM 680 C LEU B 64 -3.832 -17.558 -27.855 1.00 0.00 C ATOM 681 O LEU B 64 -4.574 -18.117 -27.048 1.00 0.00 O ATOM 682 CB LEU B 64 -3.415 -15.179 -28.508 1.00 0.00 C ATOM 683 CG LEU B 64 -3.574 -14.051 -29.528 1.00 0.00 C ATOM 684 CD1 LEU B 64 -2.940 -12.769 -29.009 1.00 0.00 C ATOM 685 CD2 LEU B 64 -2.961 -14.448 -30.863 1.00 0.00 C ATOM 0 H LEU B 64 -6.356 -16.047 -29.130 1.00 0.00 H new ATOM 0 HA LEU B 64 -4.316 -16.688 -29.746 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.588 -14.769 -27.513 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -2.381 -15.524 -28.535 1.00 0.00 H new ATOM 0 HG LEU B 64 -4.638 -13.871 -29.679 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -3.063 -11.977 -29.748 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -3.424 -12.475 -28.078 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -1.878 -12.935 -28.829 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -3.084 -13.633 -31.576 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -1.899 -14.656 -30.728 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -3.460 -15.340 -31.242 1.00 0.00 H new ATOM 697 N ALA B 65 -2.567 -17.920 -28.046 1.00 0.00 N ATOM 698 CA ALA B 65 -1.966 -19.018 -27.300 1.00 0.00 C ATOM 699 C ALA B 65 -0.447 -18.895 -27.270 1.00 0.00 C ATOM 700 O ALA B 65 0.257 -19.590 -28.004 1.00 0.00 O ATOM 701 CB ALA B 65 -2.378 -20.353 -27.903 1.00 0.00 C ATOM 0 H ALA B 65 -1.939 -17.468 -28.711 1.00 0.00 H new ATOM 0 HA ALA B 65 -2.328 -18.968 -26.273 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -1.922 -21.165 -27.336 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -3.463 -20.450 -27.866 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -2.044 -20.402 -28.940 1.00 0.00 H new ATOM 707 N HIS B 66 0.054 -18.006 -26.418 1.00 0.00 N ATOM 708 CA HIS B 66 1.491 -17.792 -26.293 1.00 0.00 C ATOM 709 C HIS B 66 2.183 -19.044 -25.762 1.00 0.00 C ATOM 710 O HIS B 66 1.569 -20.106 -25.652 1.00 0.00 O ATOM 711 CB HIS B 66 1.774 -16.608 -25.368 1.00 0.00 C ATOM 712 CG HIS B 66 1.613 -16.932 -23.915 1.00 0.00 C ATOM 713 ND1 HIS B 66 2.679 -17.042 -23.046 1.00 0.00 N ATOM 714 CD2 HIS B 66 0.503 -17.169 -23.178 1.00 0.00 C ATOM 715 CE1 HIS B 66 2.231 -17.334 -21.838 1.00 0.00 C ATOM 716 NE2 HIS B 66 0.913 -17.416 -21.891 1.00 0.00 N ATOM 0 H HIS B 66 -0.514 -17.422 -25.804 1.00 0.00 H new ATOM 0 HA HIS B 66 1.887 -17.572 -27.284 1.00 0.00 H new ATOM 0 HB2 HIS B 66 2.791 -16.256 -25.543 1.00 0.00 H new ATOM 0 HB3 HIS B 66 1.104 -15.788 -25.625 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -0.516 -17.165 -23.536 1.00 0.00 H new ATOM 0 HE1 HIS B 66 2.838 -17.481 -20.957 1.00 0.00 H new ATOM 0 HE2 HIS B 66 0.300 -17.628 -21.104 1.00 0.00 H new ATOM 724 N HIS B 67 3.464 -18.913 -25.434 1.00 0.00 N ATOM 725 CA HIS B 67 4.239 -20.034 -24.915 1.00 0.00 C ATOM 726 C HIS B 67 5.672 -19.608 -24.609 1.00 0.00 C ATOM 727 O HIS B 67 6.111 -19.648 -23.459 1.00 0.00 O ATOM 728 CB HIS B 67 4.241 -21.188 -25.917 1.00 0.00 C ATOM 729 CG HIS B 67 3.966 -22.522 -25.294 1.00 0.00 C ATOM 730 ND1 HIS B 67 2.948 -23.353 -25.714 1.00 0.00 N ATOM 731 CD2 HIS B 67 4.583 -23.170 -24.278 1.00 0.00 C ATOM 732 CE1 HIS B 67 2.951 -24.453 -24.981 1.00 0.00 C ATOM 733 NE2 HIS B 67 3.933 -24.367 -24.103 1.00 0.00 N ATOM 0 H HIS B 67 3.987 -18.042 -25.518 1.00 0.00 H new ATOM 0 HA HIS B 67 3.772 -20.368 -23.989 1.00 0.00 H new ATOM 0 HB2 HIS B 67 3.492 -20.993 -26.685 1.00 0.00 H new ATOM 0 HB3 HIS B 67 5.209 -21.222 -26.417 1.00 0.00 H new ATOM 0 HD2 HIS B 67 5.429 -22.812 -23.710 1.00 0.00 H new ATOM 0 HE1 HIS B 67 2.266 -25.282 -25.083 1.00 0.00 H new ATOM 0 HE2 HIS B 67 4.170 -25.075 -23.408 1.00 0.00 H new ATOM 741 N PHE B 68 6.398 -19.202 -25.646 1.00 0.00 N ATOM 742 CA PHE B 68 7.782 -18.771 -25.488 1.00 0.00 C ATOM 743 C PHE B 68 7.884 -17.625 -24.486 1.00 0.00 C ATOM 744 O PHE B 68 7.006 -16.765 -24.419 1.00 0.00 O ATOM 745 CB PHE B 68 8.360 -18.337 -26.837 1.00 0.00 C ATOM 746 CG PHE B 68 8.068 -19.299 -27.952 1.00 0.00 C ATOM 747 CD1 PHE B 68 8.498 -20.614 -27.880 1.00 0.00 C ATOM 748 CD2 PHE B 68 7.363 -18.889 -29.072 1.00 0.00 C ATOM 749 CE1 PHE B 68 8.231 -21.503 -28.905 1.00 0.00 C ATOM 750 CE2 PHE B 68 7.092 -19.773 -30.100 1.00 0.00 C ATOM 751 CZ PHE B 68 7.528 -21.081 -30.016 1.00 0.00 C ATOM 0 H PHE B 68 6.051 -19.163 -26.604 1.00 0.00 H new ATOM 0 HA PHE B 68 8.358 -19.615 -25.108 1.00 0.00 H new ATOM 0 HB2 PHE B 68 7.957 -17.358 -27.098 1.00 0.00 H new ATOM 0 HB3 PHE B 68 9.440 -18.222 -26.741 1.00 0.00 H new ATOM 0 HD1 PHE B 68 9.048 -20.949 -27.013 1.00 0.00 H new ATOM 0 HD2 PHE B 68 7.021 -17.867 -29.143 1.00 0.00 H new ATOM 0 HE1 PHE B 68 8.572 -22.526 -28.837 1.00 0.00 H new ATOM 0 HE2 PHE B 68 6.540 -19.441 -30.967 1.00 0.00 H new ATOM 0 HZ PHE B 68 7.319 -21.773 -30.819 1.00 0.00 H new ATOM 761 N SER B 69 8.962 -17.622 -23.708 1.00 0.00 N ATOM 762 CA SER B 69 9.178 -16.585 -22.705 1.00 0.00 C ATOM 763 C SER B 69 7.920 -16.366 -21.871 1.00 0.00 C ATOM 764 O SER B 69 7.003 -17.187 -21.883 1.00 0.00 O ATOM 765 CB SER B 69 9.592 -15.274 -23.378 1.00 0.00 C ATOM 766 OG SER B 69 10.118 -14.360 -22.432 1.00 0.00 O ATOM 0 H SER B 69 9.699 -18.326 -23.753 1.00 0.00 H new ATOM 0 HA SER B 69 9.979 -16.915 -22.043 1.00 0.00 H new ATOM 0 HB2 SER B 69 10.338 -15.476 -24.147 1.00 0.00 H new ATOM 0 HB3 SER B 69 8.731 -14.830 -23.878 1.00 0.00 H new ATOM 0 HG SER B 69 10.377 -13.531 -22.887 1.00 0.00 H new ATOM 772 N GLU B 70 7.884 -15.252 -21.146 1.00 0.00 N ATOM 773 CA GLU B 70 6.739 -14.925 -20.305 1.00 0.00 C ATOM 774 C GLU B 70 6.864 -13.512 -19.741 1.00 0.00 C ATOM 775 O GLU B 70 6.043 -12.634 -20.011 1.00 0.00 O ATOM 776 CB GLU B 70 6.615 -15.933 -19.160 1.00 0.00 C ATOM 777 CG GLU B 70 5.593 -17.027 -19.421 1.00 0.00 C ATOM 778 CD GLU B 70 4.405 -16.951 -18.482 1.00 0.00 C ATOM 779 OE1 GLU B 70 3.771 -15.877 -18.414 1.00 0.00 O ATOM 780 OE2 GLU B 70 4.109 -17.964 -17.815 1.00 0.00 O ATOM 0 H GLU B 70 8.634 -14.561 -21.124 1.00 0.00 H new ATOM 0 HA GLU B 70 5.842 -14.974 -20.922 1.00 0.00 H new ATOM 0 HB2 GLU B 70 7.588 -16.391 -18.983 1.00 0.00 H new ATOM 0 HB3 GLU B 70 6.342 -15.402 -18.248 1.00 0.00 H new ATOM 0 HG2 GLU B 70 5.243 -16.954 -20.451 1.00 0.00 H new ATOM 0 HG3 GLU B 70 6.073 -18.000 -19.316 1.00 0.00 H new ATOM 787 N PRO B 71 7.915 -13.286 -18.939 1.00 0.00 N ATOM 788 CA PRO B 71 8.173 -11.982 -18.321 1.00 0.00 C ATOM 789 C PRO B 71 8.600 -10.931 -19.340 1.00 0.00 C ATOM 790 O PRO B 71 9.779 -10.597 -19.443 1.00 0.00 O ATOM 791 CB PRO B 71 9.313 -12.273 -17.342 1.00 0.00 C ATOM 792 CG PRO B 71 10.003 -13.466 -17.909 1.00 0.00 C ATOM 793 CD PRO B 71 8.933 -14.285 -18.575 1.00 0.00 C ATOM 0 HA PRO B 71 7.281 -11.572 -17.848 1.00 0.00 H new ATOM 0 HB2 PRO B 71 9.992 -11.424 -17.261 1.00 0.00 H new ATOM 0 HB3 PRO B 71 8.933 -12.474 -16.340 1.00 0.00 H new ATOM 0 HG2 PRO B 71 10.770 -13.170 -18.625 1.00 0.00 H new ATOM 0 HG3 PRO B 71 10.501 -14.037 -17.126 1.00 0.00 H new ATOM 0 HD2 PRO B 71 9.315 -14.808 -19.452 1.00 0.00 H new ATOM 0 HD3 PRO B 71 8.530 -15.043 -17.903 1.00 0.00 H new ATOM 801 N GLU B 72 7.632 -10.414 -20.090 1.00 0.00 N ATOM 802 CA GLU B 72 7.910 -9.400 -21.101 1.00 0.00 C ATOM 803 C GLU B 72 6.625 -8.957 -21.795 1.00 0.00 C ATOM 804 O GLU B 72 6.257 -7.783 -21.750 1.00 0.00 O ATOM 805 CB GLU B 72 8.900 -9.939 -22.136 1.00 0.00 C ATOM 806 CG GLU B 72 9.066 -9.036 -23.347 1.00 0.00 C ATOM 807 CD GLU B 72 10.180 -9.494 -24.268 1.00 0.00 C ATOM 808 OE1 GLU B 72 11.356 -9.199 -23.970 1.00 0.00 O ATOM 809 OE2 GLU B 72 9.876 -10.149 -25.287 1.00 0.00 O ATOM 0 H GLU B 72 6.650 -10.680 -20.017 1.00 0.00 H new ATOM 0 HA GLU B 72 8.350 -8.537 -20.602 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.871 -10.077 -21.660 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.566 -10.922 -22.469 1.00 0.00 H new ATOM 0 HG2 GLU B 72 8.129 -9.005 -23.903 1.00 0.00 H new ATOM 0 HG3 GLU B 72 9.272 -8.019 -23.012 1.00 0.00 H new ATOM 816 N ILE B 73 5.947 -9.904 -22.434 1.00 0.00 N ATOM 817 CA ILE B 73 4.704 -9.611 -23.136 1.00 0.00 C ATOM 818 C ILE B 73 3.745 -8.824 -22.250 1.00 0.00 C ATOM 819 O ILE B 73 3.234 -7.776 -22.646 1.00 0.00 O ATOM 820 CB ILE B 73 4.007 -10.901 -23.609 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.949 -11.721 -24.493 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.725 -10.567 -24.357 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.399 -10.989 -25.738 1.00 0.00 C ATOM 0 H ILE B 73 6.238 -10.881 -22.480 1.00 0.00 H new ATOM 0 HA ILE B 73 4.967 -9.010 -24.006 1.00 0.00 H new ATOM 0 HB ILE B 73 3.749 -11.498 -22.735 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.826 -12.004 -23.911 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.448 -12.644 -24.785 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.244 -11.489 -24.685 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.051 -10.021 -23.697 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.960 -9.952 -25.226 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.064 -11.630 -26.317 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.529 -10.729 -26.342 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.928 -10.079 -25.454 1.00 0.00 H new ATOM 835 N THR B 74 3.505 -9.335 -21.047 1.00 0.00 N ATOM 836 CA THR B 74 2.608 -8.680 -20.103 1.00 0.00 C ATOM 837 C THR B 74 2.947 -7.201 -19.958 1.00 0.00 C ATOM 838 O THR B 74 2.068 -6.341 -20.041 1.00 0.00 O ATOM 839 CB THR B 74 2.667 -9.347 -18.716 1.00 0.00 C ATOM 840 OG1 THR B 74 2.350 -10.739 -18.827 1.00 0.00 O ATOM 841 CG2 THR B 74 1.701 -8.676 -17.751 1.00 0.00 C ATOM 0 H THR B 74 3.920 -10.201 -20.703 1.00 0.00 H new ATOM 0 HA THR B 74 1.599 -8.781 -20.504 1.00 0.00 H new ATOM 0 HB THR B 74 3.679 -9.236 -18.327 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.392 -11.156 -17.941 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.761 -9.164 -16.778 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.964 -7.624 -17.645 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.685 -8.759 -18.137 1.00 0.00 H new ATOM 849 N LEU B 75 4.225 -6.910 -19.743 1.00 0.00 N ATOM 850 CA LEU B 75 4.681 -5.533 -19.588 1.00 0.00 C ATOM 851 C LEU B 75 4.285 -4.689 -20.796 1.00 0.00 C ATOM 852 O LEU B 75 3.716 -3.607 -20.649 1.00 0.00 O ATOM 853 CB LEU B 75 6.198 -5.495 -19.400 1.00 0.00 C ATOM 854 CG LEU B 75 6.730 -6.115 -18.108 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.251 -6.130 -18.109 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.203 -5.359 -16.897 1.00 0.00 C ATOM 0 H LEU B 75 4.964 -7.609 -19.672 1.00 0.00 H new ATOM 0 HA LEU B 75 4.201 -5.115 -18.703 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.661 -6.008 -20.243 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.523 -4.455 -19.441 1.00 0.00 H new ATOM 0 HG LEU B 75 6.377 -7.145 -18.050 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.611 -6.575 -17.181 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.609 -6.716 -18.955 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.625 -5.109 -18.191 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.592 -5.814 -15.986 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.525 -4.319 -16.949 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.114 -5.401 -16.887 1.00 0.00 H new ATOM 868 N ILE B 76 4.588 -5.193 -21.987 1.00 0.00 N ATOM 869 CA ILE B 76 4.261 -4.486 -23.220 1.00 0.00 C ATOM 870 C ILE B 76 2.769 -4.179 -23.298 1.00 0.00 C ATOM 871 O ILE B 76 2.372 -3.066 -23.644 1.00 0.00 O ATOM 872 CB ILE B 76 4.672 -5.300 -24.461 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.147 -5.697 -24.372 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.407 -4.502 -25.729 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.086 -4.514 -24.273 1.00 0.00 C ATOM 0 H ILE B 76 5.059 -6.087 -22.125 1.00 0.00 H new ATOM 0 HA ILE B 76 4.822 -3.551 -23.207 1.00 0.00 H new ATOM 0 HB ILE B 76 4.073 -6.210 -24.496 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.291 -6.338 -23.502 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.410 -6.287 -25.250 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.703 -5.090 -26.598 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.345 -4.266 -25.795 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.983 -3.577 -25.704 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.115 -4.870 -24.213 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.971 -3.883 -25.155 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.850 -3.936 -23.380 1.00 0.00 H new ATOM 887 N ILE B 77 1.948 -5.172 -22.974 1.00 0.00 N ATOM 888 CA ILE B 77 0.501 -5.007 -23.005 1.00 0.00 C ATOM 889 C ILE B 77 0.044 -3.967 -21.987 1.00 0.00 C ATOM 890 O ILE B 77 -0.709 -3.050 -22.314 1.00 0.00 O ATOM 891 CB ILE B 77 -0.224 -6.336 -22.724 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.079 -7.351 -23.829 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.723 -6.108 -22.605 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.559 -7.008 -25.156 1.00 0.00 C ATOM 0 H ILE B 77 2.261 -6.099 -22.687 1.00 0.00 H new ATOM 0 HA ILE B 77 0.244 -4.668 -24.009 1.00 0.00 H new ATOM 0 HB ILE B 77 0.139 -6.737 -21.778 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.159 -7.420 -23.961 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.267 -8.335 -23.512 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.221 -7.057 -22.406 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.922 -5.416 -21.787 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.102 -5.687 -23.536 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.302 -7.770 -25.891 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.642 -6.967 -25.039 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.194 -6.039 -25.495 1.00 0.00 H new ATOM 906 N PHE B 78 0.507 -4.116 -20.750 1.00 0.00 N ATOM 907 CA PHE B 78 0.147 -3.190 -19.682 1.00 0.00 C ATOM 908 C PHE B 78 0.466 -1.751 -20.080 1.00 0.00 C ATOM 909 O PHE B 78 -0.358 -0.853 -19.917 1.00 0.00 O ATOM 910 CB PHE B 78 0.887 -3.551 -18.393 1.00 0.00 C ATOM 911 CG PHE B 78 0.774 -2.503 -17.323 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.276 -2.529 -16.419 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.716 -1.493 -17.221 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.384 -1.567 -15.432 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.614 -0.529 -16.236 1.00 0.00 C ATOM 916 CZ PHE B 78 0.562 -0.565 -15.342 1.00 0.00 C ATOM 0 H PHE B 78 1.132 -4.869 -20.462 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.926 -3.272 -19.511 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.495 -4.493 -18.010 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.940 -3.713 -18.622 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.019 -3.310 -16.486 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.539 -1.458 -17.919 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.206 -1.599 -14.733 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.357 0.252 -16.165 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.479 0.189 -14.574 1.00 0.00 H new ATOM 926 N GLY B 79 1.671 -1.542 -20.602 1.00 0.00 N ATOM 927 CA GLY B 79 2.080 -0.211 -21.014 1.00 0.00 C ATOM 928 C GLY B 79 1.132 0.398 -22.028 1.00 0.00 C ATOM 929 O GLY B 79 0.612 1.495 -21.822 1.00 0.00 O ATOM 0 H GLY B 79 2.371 -2.270 -20.747 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.136 0.436 -20.139 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.082 -0.258 -21.440 1.00 0.00 H new ATOM 933 N VAL B 80 0.906 -0.313 -23.128 1.00 0.00 N ATOM 934 CA VAL B 80 0.015 0.164 -24.178 1.00 0.00 C ATOM 935 C VAL B 80 -1.406 0.340 -23.655 1.00 0.00 C ATOM 936 O VAL B 80 -2.128 1.241 -24.081 1.00 0.00 O ATOM 937 CB VAL B 80 -0.007 -0.801 -25.378 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.886 -0.251 -26.490 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.406 -1.058 -25.880 1.00 0.00 C ATOM 0 H VAL B 80 1.328 -1.222 -23.315 1.00 0.00 H new ATOM 0 HA VAL B 80 0.401 1.129 -24.505 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.430 -1.751 -25.051 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.889 -0.947 -27.329 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.904 -0.124 -26.120 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.497 0.712 -26.819 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.372 -1.742 -26.728 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.859 -0.116 -26.191 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.001 -1.500 -25.081 1.00 0.00 H new ATOM 949 N MET B 81 -1.801 -0.526 -22.728 1.00 0.00 N ATOM 950 CA MET B 81 -3.136 -0.465 -22.144 1.00 0.00 C ATOM 951 C MET B 81 -3.317 0.813 -21.332 1.00 0.00 C ATOM 952 O MET B 81 -4.337 1.492 -21.446 1.00 0.00 O ATOM 953 CB MET B 81 -3.384 -1.686 -21.257 1.00 0.00 C ATOM 954 CG MET B 81 -3.698 -2.952 -22.038 1.00 0.00 C ATOM 955 SD MET B 81 -5.455 -3.121 -22.409 1.00 0.00 S ATOM 956 CE MET B 81 -5.720 -4.847 -22.012 1.00 0.00 C ATOM 0 H MET B 81 -1.216 -1.278 -22.365 1.00 0.00 H new ATOM 0 HA MET B 81 -3.861 -0.463 -22.958 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.504 -1.860 -20.638 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.212 -1.471 -20.581 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.132 -2.949 -22.970 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.366 -3.819 -21.466 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.764 -5.105 -22.190 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.080 -5.467 -22.640 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.477 -5.021 -20.964 1.00 0.00 H new ATOM 966 N ALA B 82 -2.321 1.135 -20.514 1.00 0.00 N ATOM 967 CA ALA B 82 -2.370 2.333 -19.684 1.00 0.00 C ATOM 968 C ALA B 82 -2.340 3.594 -20.540 1.00 0.00 C ATOM 969 O ALA B 82 -3.125 4.518 -20.329 1.00 0.00 O ATOM 970 CB ALA B 82 -1.214 2.337 -18.694 1.00 0.00 C ATOM 0 H ALA B 82 -1.470 0.583 -20.408 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.308 2.323 -19.130 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.263 3.237 -18.081 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.280 1.458 -18.053 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.269 2.319 -19.238 1.00 0.00 H new ATOM 976 N GLY B 83 -1.428 3.627 -21.507 1.00 0.00 N ATOM 977 CA GLY B 83 -1.313 4.781 -22.380 1.00 0.00 C ATOM 978 C GLY B 83 -2.572 5.025 -23.187 1.00 0.00 C ATOM 979 O GLY B 83 -3.108 6.133 -23.195 1.00 0.00 O ATOM 0 H GLY B 83 -0.767 2.875 -21.701 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.092 5.665 -21.782 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.472 4.637 -23.059 1.00 0.00 H new ATOM 983 N VAL B 84 -3.045 3.988 -23.871 1.00 0.00 N ATOM 984 CA VAL B 84 -4.250 4.095 -24.686 1.00 0.00 C ATOM 985 C VAL B 84 -5.422 4.622 -23.867 1.00 0.00 C ATOM 986 O VAL B 84 -6.043 5.623 -24.227 1.00 0.00 O ATOM 987 CB VAL B 84 -4.635 2.735 -25.299 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.015 2.808 -25.935 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.593 2.295 -26.315 1.00 0.00 C ATOM 0 H VAL B 84 -2.612 3.064 -23.877 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.028 4.797 -25.490 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.668 1.992 -24.502 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.270 1.838 -26.363 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.751 3.075 -25.177 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.014 3.563 -26.722 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.881 1.333 -26.738 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.526 3.036 -27.112 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.624 2.201 -25.825 1.00 0.00 H new ATOM 999 N ILE B 85 -5.720 3.943 -22.765 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.818 4.344 -21.894 1.00 0.00 C ATOM 1001 C ILE B 85 -6.656 5.789 -21.435 1.00 0.00 C ATOM 1002 O ILE B 85 -7.616 6.558 -21.421 1.00 0.00 O ATOM 1003 CB ILE B 85 -6.917 3.432 -20.657 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.163 1.983 -21.082 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.025 3.913 -19.731 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -6.810 0.972 -20.014 1.00 0.00 C ATOM 0 H ILE B 85 -5.216 3.112 -22.454 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.734 4.251 -22.478 1.00 0.00 H new ATOM 0 HB ILE B 85 -5.972 3.477 -20.115 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.213 1.865 -21.350 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -6.580 1.772 -21.978 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.082 3.258 -18.862 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.811 4.931 -19.405 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -8.977 3.895 -20.262 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.010 -0.033 -20.385 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -5.753 1.063 -19.762 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -7.412 1.157 -19.124 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.432 6.152 -21.062 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.165 7.505 -20.609 1.00 0.00 C ATOM 1020 C GLY B 86 -5.554 8.548 -21.638 1.00 0.00 C ATOM 1021 O GLY B 86 -6.273 9.499 -21.329 1.00 0.00 O ATOM 0 H GLY B 86 -4.621 5.533 -21.066 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.712 7.690 -19.684 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.104 7.605 -20.378 1.00 0.00 H new ATOM 1025 N THR B 87 -5.077 8.372 -22.866 1.00 0.00 N ATOM 1026 CA THR B 87 -5.376 9.307 -23.944 1.00 0.00 C ATOM 1027 C THR B 87 -6.880 9.447 -24.148 1.00 0.00 C ATOM 1028 O THR B 87 -7.394 10.554 -24.312 1.00 0.00 O ATOM 1029 CB THR B 87 -4.728 8.864 -25.269 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.441 8.289 -25.016 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.586 10.040 -26.222 1.00 0.00 C ATOM 0 H THR B 87 -4.482 7.590 -23.139 1.00 0.00 H new ATOM 0 HA THR B 87 -4.960 10.271 -23.651 1.00 0.00 H new ATOM 0 HB THR B 87 -5.374 8.118 -25.733 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.938 8.869 -24.407 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.126 9.702 -27.151 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.570 10.456 -26.435 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.960 10.806 -25.764 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.581 8.318 -24.138 1.00 0.00 N ATOM 1040 CA ILE B 88 -9.027 8.316 -24.322 1.00 0.00 C ATOM 1041 C ILE B 88 -9.711 9.226 -23.307 1.00 0.00 C ATOM 1042 O ILE B 88 -10.518 10.083 -23.670 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.609 6.895 -24.194 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.090 6.005 -25.325 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.129 6.943 -24.204 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.584 6.418 -26.694 1.00 0.00 C ATOM 0 H ILE B 88 -7.171 7.394 -24.005 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.218 8.689 -25.328 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.285 6.469 -23.244 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -8.000 6.024 -25.320 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -9.392 4.975 -25.134 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.526 5.932 -24.113 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.479 7.547 -23.367 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.473 7.385 -25.139 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -9.176 5.743 -27.447 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -10.673 6.372 -26.717 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.259 7.437 -26.906 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.383 9.036 -22.034 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.964 9.841 -20.966 1.00 0.00 C ATOM 1060 C LEU B 89 -9.715 11.327 -21.207 1.00 0.00 C ATOM 1061 O LEU B 89 -10.649 12.131 -21.213 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.380 9.428 -19.613 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.903 8.115 -19.030 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.996 7.630 -17.909 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.330 8.285 -18.528 1.00 0.00 C ATOM 0 H LEU B 89 -8.718 8.331 -21.716 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.040 9.668 -20.959 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.297 9.352 -19.715 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.577 10.225 -18.896 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.904 7.364 -19.820 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.384 6.694 -17.506 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.991 7.468 -18.298 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.962 8.379 -17.118 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.686 7.340 -18.117 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.354 9.051 -17.753 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.973 8.586 -19.355 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.452 11.685 -21.407 1.00 0.00 N ATOM 1078 CA LEU B 90 -8.080 13.074 -21.651 1.00 0.00 C ATOM 1079 C LEU B 90 -8.815 13.629 -22.867 1.00 0.00 C ATOM 1080 O LEU B 90 -9.417 14.702 -22.804 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.569 13.189 -21.859 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.700 12.938 -20.626 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.232 12.862 -21.013 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.924 14.026 -19.585 1.00 0.00 C ATOM 0 H LEU B 90 -7.668 11.033 -21.405 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.366 13.660 -20.777 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.275 12.483 -22.636 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.349 14.188 -22.236 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.989 11.981 -20.191 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.630 12.683 -20.122 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.084 12.047 -21.721 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.928 13.802 -21.474 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.298 13.831 -18.715 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.663 14.995 -20.010 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.972 14.032 -19.284 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.764 12.891 -23.971 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.429 13.308 -25.199 1.00 0.00 C ATOM 1098 C ILE B 91 -10.908 13.585 -24.957 1.00 0.00 C ATOM 1099 O ILE B 91 -11.435 14.614 -25.380 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.291 12.243 -26.303 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.827 12.100 -26.724 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -10.159 12.604 -27.499 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.501 10.752 -27.329 1.00 0.00 C ATOM 0 H ILE B 91 -8.269 12.002 -24.040 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.940 14.225 -25.527 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.631 11.286 -25.908 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.587 12.881 -27.446 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.190 12.263 -25.855 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -10.051 11.842 -28.271 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.202 12.660 -27.188 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.847 13.570 -27.897 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.447 10.722 -27.604 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.709 9.967 -26.602 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -8.112 10.595 -28.218 1.00 0.00 H new ATOM 1115 N SER B 92 -11.573 12.660 -24.272 1.00 0.00 N ATOM 1116 CA SER B 92 -12.994 12.803 -23.974 1.00 0.00 C ATOM 1117 C SER B 92 -13.268 14.120 -23.254 1.00 0.00 C ATOM 1118 O SER B 92 -14.349 14.696 -23.379 1.00 0.00 O ATOM 1119 CB SER B 92 -13.478 11.630 -23.120 1.00 0.00 C ATOM 1120 OG SER B 92 -14.583 12.007 -22.316 1.00 0.00 O ATOM 0 H SER B 92 -11.151 11.804 -23.913 1.00 0.00 H new ATOM 0 HA SER B 92 -13.540 12.805 -24.917 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.761 10.798 -23.765 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.665 11.279 -22.485 1.00 0.00 H new ATOM 0 HG SER B 92 -14.875 11.240 -21.781 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.281 14.590 -22.499 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.416 15.837 -21.755 1.00 0.00 C ATOM 1128 C TYR B 93 -12.375 17.038 -22.695 1.00 0.00 C ATOM 1129 O TYR B 93 -13.082 18.024 -22.491 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.305 15.955 -20.711 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.558 17.027 -19.675 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.387 16.786 -18.586 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.968 18.280 -19.786 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.621 17.763 -17.638 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.196 19.262 -18.841 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.024 18.999 -17.770 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.254 19.975 -16.827 1.00 0.00 O ATOM 0 H TYR B 93 -11.379 14.127 -22.386 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.381 15.826 -21.249 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.188 14.995 -20.207 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.363 16.166 -21.217 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.856 15.819 -18.479 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.321 18.490 -20.625 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.268 17.560 -16.798 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.728 20.230 -18.941 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.758 20.785 -17.067 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.541 16.947 -23.726 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.423 18.032 -24.683 1.00 0.00 C ATOM 1149 C GLY B 94 -12.704 18.263 -25.459 1.00 0.00 C ATOM 1150 O GLY B 94 -13.063 19.403 -25.754 1.00 0.00 O ATOM 0 H GLY B 94 -10.945 16.141 -23.916 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.150 18.947 -24.158 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -10.615 17.811 -25.380 1.00 0.00 H new ATOM 1154 N ILE B 95 -13.395 17.178 -25.793 1.00 0.00 N ATOM 1155 CA ILE B 95 -14.643 17.268 -26.541 1.00 0.00 C ATOM 1156 C ILE B 95 -15.724 17.967 -25.723 1.00 0.00 C ATOM 1157 O ILE B 95 -16.589 18.650 -26.274 1.00 0.00 O ATOM 1158 CB ILE B 95 -15.151 15.875 -26.958 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -14.108 15.165 -27.822 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -16.472 15.995 -27.704 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.735 15.932 -29.072 1.00 0.00 C ATOM 0 H ILE B 95 -13.112 16.227 -25.558 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.433 17.852 -27.437 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.316 15.281 -26.059 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.210 14.996 -27.228 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -14.491 14.185 -28.107 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.819 15.003 -27.992 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.213 16.465 -27.058 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -16.331 16.604 -28.597 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.991 15.369 -29.636 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.623 16.078 -29.687 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.322 16.902 -28.794 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.668 17.794 -24.407 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.642 18.409 -23.513 1.00 0.00 C ATOM 1175 C ARG B 96 -16.370 19.902 -23.358 1.00 0.00 C ATOM 1176 O ARG B 96 -17.295 20.715 -23.358 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.610 17.728 -22.143 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.984 17.333 -21.627 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.915 16.819 -20.198 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.232 16.455 -19.683 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.418 15.671 -18.627 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -18.376 15.172 -17.976 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.648 15.386 -18.219 1.00 0.00 N ATOM 0 H ARG B 96 -14.958 17.233 -23.936 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.632 18.281 -23.951 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.984 16.838 -22.204 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.140 18.399 -21.424 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.653 18.193 -21.674 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.409 16.563 -22.272 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.257 15.951 -20.156 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.474 17.584 -19.559 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.055 16.823 -20.161 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.429 15.390 -18.286 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -18.522 14.570 -17.165 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -21.452 15.769 -18.716 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.790 14.784 -17.408 1.00 0.00 H new ATOM 1197 N ARG B 97 -15.096 20.256 -23.224 1.00 0.00 N ATOM 1198 CA ARG B 97 -14.703 21.651 -23.066 1.00 0.00 C ATOM 1199 C ARG B 97 -15.472 22.306 -21.923 1.00 0.00 C ATOM 1200 O ARG B 97 -15.718 23.513 -21.938 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.944 22.421 -24.366 1.00 0.00 C ATOM 1202 CG ARG B 97 -14.118 23.692 -24.483 1.00 0.00 C ATOM 1203 CD ARG B 97 -12.731 23.405 -25.036 1.00 0.00 C ATOM 1204 NE ARG B 97 -12.758 23.148 -26.474 1.00 0.00 N ATOM 1205 CZ ARG B 97 -11.681 23.201 -27.250 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -10.499 23.499 -26.729 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -11.785 22.955 -28.549 1.00 0.00 N ATOM 0 H ARG B 97 -14.318 19.596 -23.222 1.00 0.00 H new ATOM 0 HA ARG B 97 -13.640 21.679 -22.828 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -14.717 21.771 -25.211 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -16.001 22.677 -24.436 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -14.630 24.402 -25.132 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -14.030 24.162 -23.503 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -12.077 24.252 -24.831 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -12.307 22.543 -24.521 1.00 0.00 H new ATOM 0 HE ARG B 97 -13.652 22.915 -26.906 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -10.415 23.688 -25.730 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -9.674 23.539 -27.327 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -12.693 22.725 -28.953 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -10.957 22.996 -29.144 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.850 21.503 -20.934 1.00 0.00 N ATOM 1222 CA LEU B 98 -16.592 22.005 -19.783 1.00 0.00 C ATOM 1223 C LEU B 98 -15.663 22.718 -18.805 1.00 0.00 C ATOM 1224 O LEU B 98 -14.784 22.101 -18.205 1.00 0.00 O ATOM 1225 CB LEU B 98 -17.310 20.855 -19.074 1.00 0.00 C ATOM 1226 CG LEU B 98 -18.429 21.255 -18.111 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -19.393 20.097 -17.903 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -17.849 21.714 -16.782 1.00 0.00 C ATOM 0 H LEU B 98 -15.655 20.502 -20.906 1.00 0.00 H new ATOM 0 HA LEU B 98 -17.331 22.721 -20.142 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -17.729 20.193 -19.831 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -16.570 20.278 -18.520 1.00 0.00 H new ATOM 0 HG LEU B 98 -18.981 22.086 -18.550 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -20.182 20.400 -17.215 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -19.834 19.814 -18.859 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -18.855 19.246 -17.486 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -18.659 21.995 -16.109 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -17.272 20.903 -16.337 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -17.199 22.574 -16.946 1.00 0.00 H new TER 1240 LEU B 98