USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=11 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 Set 1.1: A 67 HIS : no HD1:sc= -0.184 X(o=-0.42,f=-0.58) USER MOD Set 1.2: B 66 HIS : no HD1:sc= -0.239 X(o=-0.42,f=-0.5) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.0079) USER MOD Single : A 69 SER OG : rot 180:sc= -0.361 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -176:sc= 0 (180deg=-0.0063) USER MOD Single : A 87 THR OG1 : rot -34:sc= -2.23! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : B 69 SER OG : rot 16:sc= 0.638 USER MOD Single : B 74 THR OG1 : rot -140:sc=-0.000241 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -37:sc= -1.58! 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 5.009 -24.329 -18.364 1.00 0.00 N ATOM 2 CA ARG A 61 3.926 -23.596 -19.009 1.00 0.00 C ATOM 3 C ARG A 61 2.829 -23.251 -18.006 1.00 0.00 C ATOM 4 O ARG A 61 1.655 -23.154 -18.362 1.00 0.00 O ATOM 5 CB ARG A 61 3.339 -24.419 -20.158 1.00 0.00 C ATOM 6 CG ARG A 61 4.202 -24.418 -21.410 1.00 0.00 C ATOM 7 CD ARG A 61 3.932 -25.640 -22.273 1.00 0.00 C ATOM 8 NE ARG A 61 4.422 -26.868 -21.652 1.00 0.00 N ATOM 9 CZ ARG A 61 4.567 -28.015 -22.306 1.00 0.00 C ATOM 10 NH1 ARG A 61 4.263 -28.091 -23.594 1.00 0.00 N ATOM 11 NH2 ARG A 61 5.018 -29.089 -21.672 1.00 0.00 N ATOM 0 HA ARG A 61 4.336 -22.668 -19.407 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.200 -25.447 -19.823 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.352 -24.028 -20.407 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.007 -23.514 -21.987 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.255 -24.396 -21.128 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.860 -25.727 -22.453 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.409 -25.510 -23.245 1.00 0.00 H new ATOM 0 HE ARG A 61 4.666 -26.843 -20.662 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.917 -27.267 -24.086 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.375 -28.973 -24.093 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.254 -29.035 -20.681 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.129 -29.969 -22.175 1.00 0.00 H new ATOM 25 N VAL A 62 3.221 -23.067 -16.749 1.00 0.00 N ATOM 26 CA VAL A 62 2.272 -22.732 -15.694 1.00 0.00 C ATOM 27 C VAL A 62 2.404 -21.271 -15.279 1.00 0.00 C ATOM 28 O VAL A 62 2.975 -20.962 -14.234 1.00 0.00 O ATOM 29 CB VAL A 62 2.472 -23.626 -14.455 1.00 0.00 C ATOM 30 CG1 VAL A 62 1.376 -23.372 -13.431 1.00 0.00 C ATOM 31 CG2 VAL A 62 2.507 -25.093 -14.857 1.00 0.00 C ATOM 0 H VAL A 62 4.189 -23.144 -16.437 1.00 0.00 H new ATOM 0 HA VAL A 62 1.275 -22.903 -16.100 1.00 0.00 H new ATOM 0 HB VAL A 62 3.429 -23.375 -13.998 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.534 -24.012 -12.563 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.403 -22.327 -13.121 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.405 -23.594 -13.874 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.649 -25.710 -13.970 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.567 -25.361 -15.339 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.331 -25.261 -15.551 1.00 0.00 H new ATOM 41 N GLN A 63 1.872 -20.377 -16.106 1.00 0.00 N ATOM 42 CA GLN A 63 1.931 -18.947 -15.825 1.00 0.00 C ATOM 43 C GLN A 63 3.375 -18.459 -15.787 1.00 0.00 C ATOM 44 O GLN A 63 4.284 -19.203 -15.416 1.00 0.00 O ATOM 45 CB GLN A 63 1.241 -18.639 -14.494 1.00 0.00 C ATOM 46 CG GLN A 63 1.557 -17.254 -13.952 1.00 0.00 C ATOM 47 CD GLN A 63 0.711 -16.893 -12.747 1.00 0.00 C ATOM 48 OE1 GLN A 63 0.926 -17.404 -11.648 1.00 0.00 O ATOM 49 NE2 GLN A 63 -0.258 -16.007 -12.947 1.00 0.00 N ATOM 0 H GLN A 63 1.396 -20.617 -16.975 1.00 0.00 H new ATOM 0 HA GLN A 63 1.411 -18.423 -16.626 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.163 -18.732 -14.623 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.540 -19.385 -13.758 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.611 -17.207 -13.679 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.398 -16.515 -14.738 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.401 -15.608 -13.875 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.859 -15.725 -12.173 1.00 0.00 H new ATOM 58 N LEU A 64 3.581 -17.205 -16.174 1.00 0.00 N ATOM 59 CA LEU A 64 4.916 -16.616 -16.185 1.00 0.00 C ATOM 60 C LEU A 64 4.839 -15.095 -16.264 1.00 0.00 C ATOM 61 O LEU A 64 5.611 -14.462 -16.983 1.00 0.00 O ATOM 62 CB LEU A 64 5.724 -17.160 -17.364 1.00 0.00 C ATOM 63 CG LEU A 64 4.966 -17.318 -18.682 1.00 0.00 C ATOM 64 CD1 LEU A 64 4.606 -15.956 -19.258 1.00 0.00 C ATOM 65 CD2 LEU A 64 5.790 -18.119 -19.679 1.00 0.00 C ATOM 0 H LEU A 64 2.840 -16.576 -16.484 1.00 0.00 H new ATOM 0 HA LEU A 64 5.415 -16.888 -15.255 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.573 -16.497 -17.533 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.130 -18.132 -17.083 1.00 0.00 H new ATOM 0 HG LEU A 64 4.042 -17.862 -18.484 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.067 -16.089 -20.196 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.976 -15.417 -18.551 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.517 -15.386 -19.440 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.234 -18.221 -20.611 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.730 -17.603 -19.872 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.996 -19.108 -19.269 1.00 0.00 H new ATOM 77 N ALA A 65 3.905 -14.515 -15.518 1.00 0.00 N ATOM 78 CA ALA A 65 3.731 -13.068 -15.500 1.00 0.00 C ATOM 79 C ALA A 65 3.059 -12.611 -14.210 1.00 0.00 C ATOM 80 O ALA A 65 1.834 -12.510 -14.137 1.00 0.00 O ATOM 81 CB ALA A 65 2.919 -12.619 -16.707 1.00 0.00 C ATOM 0 H ALA A 65 3.257 -15.025 -14.918 1.00 0.00 H new ATOM 0 HA ALA A 65 4.718 -12.608 -15.547 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.797 -11.536 -16.681 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.439 -12.903 -17.622 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.939 -13.095 -16.684 1.00 0.00 H new ATOM 87 N HIS A 66 3.869 -12.338 -13.191 1.00 0.00 N ATOM 88 CA HIS A 66 3.353 -11.892 -11.902 1.00 0.00 C ATOM 89 C HIS A 66 4.401 -11.080 -11.148 1.00 0.00 C ATOM 90 O HIS A 66 4.462 -11.114 -9.919 1.00 0.00 O ATOM 91 CB HIS A 66 2.918 -13.092 -11.061 1.00 0.00 C ATOM 92 CG HIS A 66 1.561 -12.933 -10.446 1.00 0.00 C ATOM 93 ND1 HIS A 66 0.723 -13.997 -10.187 1.00 0.00 N ATOM 94 CD2 HIS A 66 0.899 -11.826 -10.038 1.00 0.00 C ATOM 95 CE1 HIS A 66 -0.397 -13.550 -9.648 1.00 0.00 C ATOM 96 NE2 HIS A 66 -0.316 -12.236 -9.546 1.00 0.00 N ATOM 0 H HIS A 66 4.885 -12.418 -13.234 1.00 0.00 H new ATOM 0 HA HIS A 66 2.489 -11.254 -12.086 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.922 -13.984 -11.687 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.650 -13.255 -10.270 1.00 0.00 H new ATOM 0 HD2 HIS A 66 1.259 -10.809 -10.090 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.237 -14.157 -9.342 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -1.038 -11.625 -9.164 1.00 0.00 H new ATOM 104 N HIS A 67 5.226 -10.351 -11.893 1.00 0.00 N ATOM 105 CA HIS A 67 6.273 -9.530 -11.295 1.00 0.00 C ATOM 106 C HIS A 67 7.007 -8.723 -12.361 1.00 0.00 C ATOM 107 O HIS A 67 7.799 -9.267 -13.130 1.00 0.00 O ATOM 108 CB HIS A 67 7.265 -10.408 -10.531 1.00 0.00 C ATOM 109 CG HIS A 67 8.374 -9.637 -9.885 1.00 0.00 C ATOM 110 ND1 HIS A 67 8.174 -8.446 -9.218 1.00 0.00 N ATOM 111 CD2 HIS A 67 9.701 -9.893 -9.805 1.00 0.00 C ATOM 112 CE1 HIS A 67 9.330 -8.003 -8.757 1.00 0.00 C ATOM 113 NE2 HIS A 67 10.272 -8.862 -9.099 1.00 0.00 N ATOM 0 H HIS A 67 5.190 -10.312 -12.912 1.00 0.00 H new ATOM 0 HA HIS A 67 5.802 -8.836 -10.599 1.00 0.00 H new ATOM 0 HB2 HIS A 67 6.728 -10.967 -9.765 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.693 -11.139 -11.217 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.215 -10.748 -10.219 1.00 0.00 H new ATOM 0 HE1 HIS A 67 9.479 -7.093 -8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.263 -8.775 -8.875 1.00 0.00 H new ATOM 121 N PHE A 68 6.737 -7.422 -12.402 1.00 0.00 N ATOM 122 CA PHE A 68 7.370 -6.540 -13.375 1.00 0.00 C ATOM 123 C PHE A 68 8.888 -6.569 -13.228 1.00 0.00 C ATOM 124 O PHE A 68 9.415 -6.580 -12.116 1.00 0.00 O ATOM 125 CB PHE A 68 6.857 -5.108 -13.207 1.00 0.00 C ATOM 126 CG PHE A 68 6.808 -4.653 -11.776 1.00 0.00 C ATOM 127 CD1 PHE A 68 7.962 -4.249 -11.125 1.00 0.00 C ATOM 128 CD2 PHE A 68 5.608 -4.630 -11.084 1.00 0.00 C ATOM 129 CE1 PHE A 68 7.919 -3.830 -9.808 1.00 0.00 C ATOM 130 CE2 PHE A 68 5.560 -4.212 -9.767 1.00 0.00 C ATOM 131 CZ PHE A 68 6.717 -3.811 -9.129 1.00 0.00 C ATOM 0 H PHE A 68 6.084 -6.956 -11.772 1.00 0.00 H new ATOM 0 HA PHE A 68 7.112 -6.896 -14.372 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.498 -4.432 -13.773 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.858 -5.035 -13.637 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.905 -4.261 -11.651 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.700 -4.942 -11.579 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.825 -3.518 -9.311 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.619 -4.199 -9.238 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.682 -3.483 -8.101 1.00 0.00 H new ATOM 141 N SER A 69 9.586 -6.581 -14.360 1.00 0.00 N ATOM 142 CA SER A 69 11.044 -6.613 -14.358 1.00 0.00 C ATOM 143 C SER A 69 11.617 -5.251 -13.982 1.00 0.00 C ATOM 144 O SER A 69 10.879 -4.279 -13.820 1.00 0.00 O ATOM 145 CB SER A 69 11.567 -7.037 -15.732 1.00 0.00 C ATOM 146 OG SER A 69 10.503 -7.412 -16.590 1.00 0.00 O ATOM 0 H SER A 69 9.165 -6.569 -15.289 1.00 0.00 H new ATOM 0 HA SER A 69 11.366 -7.341 -13.613 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.128 -6.217 -16.180 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.259 -7.872 -15.619 1.00 0.00 H new ATOM 0 HG SER A 69 10.864 -7.677 -17.462 1.00 0.00 H new ATOM 152 N GLU A 70 12.938 -5.189 -13.843 1.00 0.00 N ATOM 153 CA GLU A 70 13.610 -3.945 -13.484 1.00 0.00 C ATOM 154 C GLU A 70 14.024 -3.171 -14.732 1.00 0.00 C ATOM 155 O GLU A 70 13.564 -2.057 -14.984 1.00 0.00 O ATOM 156 CB GLU A 70 14.838 -4.235 -12.619 1.00 0.00 C ATOM 157 CG GLU A 70 14.638 -3.909 -11.149 1.00 0.00 C ATOM 158 CD GLU A 70 15.942 -3.611 -10.435 1.00 0.00 C ATOM 159 OE1 GLU A 70 16.700 -2.746 -10.922 1.00 0.00 O ATOM 160 OE2 GLU A 70 16.204 -4.241 -9.389 1.00 0.00 O ATOM 0 H GLU A 70 13.563 -5.984 -13.973 1.00 0.00 H new ATOM 0 HA GLU A 70 12.910 -3.334 -12.915 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.100 -5.289 -12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.683 -3.660 -12.998 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.974 -3.049 -11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.143 -4.747 -10.659 1.00 0.00 H new ATOM 167 N PRO A 71 14.915 -3.774 -15.534 1.00 0.00 N ATOM 168 CA PRO A 71 15.412 -3.160 -16.769 1.00 0.00 C ATOM 169 C PRO A 71 14.340 -3.087 -17.851 1.00 0.00 C ATOM 170 O PRO A 71 14.602 -2.638 -18.967 1.00 0.00 O ATOM 171 CB PRO A 71 16.544 -4.095 -17.199 1.00 0.00 C ATOM 172 CG PRO A 71 16.199 -5.412 -16.593 1.00 0.00 C ATOM 173 CD PRO A 71 15.506 -5.102 -15.296 1.00 0.00 C ATOM 0 HA PRO A 71 15.729 -2.129 -16.613 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.610 -4.164 -18.285 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.510 -3.737 -16.843 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.551 -5.988 -17.254 1.00 0.00 H new ATOM 0 HG3 PRO A 71 17.094 -6.010 -16.424 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.744 -5.845 -15.060 1.00 0.00 H new ATOM 0 HD3 PRO A 71 16.206 -5.087 -14.460 1.00 0.00 H new ATOM 181 N GLU A 72 13.134 -3.531 -17.514 1.00 0.00 N ATOM 182 CA GLU A 72 12.023 -3.516 -18.459 1.00 0.00 C ATOM 183 C GLU A 72 11.423 -2.118 -18.571 1.00 0.00 C ATOM 184 O GLU A 72 10.280 -1.954 -18.999 1.00 0.00 O ATOM 185 CB GLU A 72 10.945 -4.513 -18.030 1.00 0.00 C ATOM 186 CG GLU A 72 10.350 -4.216 -16.663 1.00 0.00 C ATOM 187 CD GLU A 72 9.257 -3.166 -16.719 1.00 0.00 C ATOM 188 OE1 GLU A 72 8.094 -3.534 -16.984 1.00 0.00 O ATOM 189 OE2 GLU A 72 9.566 -1.977 -16.497 1.00 0.00 O ATOM 0 H GLU A 72 12.901 -3.905 -16.594 1.00 0.00 H new ATOM 0 HA GLU A 72 12.408 -3.807 -19.437 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.147 -4.514 -18.772 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.372 -5.516 -18.021 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.945 -5.135 -16.240 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.140 -3.878 -15.993 1.00 0.00 H new ATOM 196 N ILE A 73 12.201 -1.113 -18.182 1.00 0.00 N ATOM 197 CA ILE A 73 11.747 0.270 -18.239 1.00 0.00 C ATOM 198 C ILE A 73 11.419 0.683 -19.670 1.00 0.00 C ATOM 199 O ILE A 73 10.285 1.051 -19.978 1.00 0.00 O ATOM 200 CB ILE A 73 12.804 1.234 -17.668 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.239 0.780 -16.273 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.258 2.653 -17.623 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.275 1.682 -15.639 1.00 0.00 C ATOM 0 H ILE A 73 13.149 -1.231 -17.824 1.00 0.00 H new ATOM 0 HA ILE A 73 10.845 0.331 -17.630 1.00 0.00 H new ATOM 0 HB ILE A 73 13.676 1.222 -18.322 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.364 0.735 -15.625 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.640 -0.231 -16.338 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.017 3.322 -17.217 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.993 2.973 -18.631 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.372 2.682 -16.989 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.536 1.299 -14.652 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.167 1.708 -16.265 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.870 2.689 -15.542 1.00 0.00 H new ATOM 215 N THR A 74 12.420 0.619 -20.542 1.00 0.00 N ATOM 216 CA THR A 74 12.239 0.985 -21.941 1.00 0.00 C ATOM 217 C THR A 74 11.008 0.308 -22.533 1.00 0.00 C ATOM 218 O THR A 74 10.249 0.922 -23.283 1.00 0.00 O ATOM 219 CB THR A 74 13.472 0.610 -22.784 1.00 0.00 C ATOM 220 OG1 THR A 74 14.649 1.200 -22.221 1.00 0.00 O ATOM 221 CG2 THR A 74 13.306 1.074 -24.223 1.00 0.00 C ATOM 0 H THR A 74 13.365 0.317 -20.304 1.00 0.00 H new ATOM 0 HA THR A 74 12.104 2.066 -21.969 1.00 0.00 H new ATOM 0 HB THR A 74 13.571 -0.475 -22.778 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.429 0.955 -22.762 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.189 0.798 -24.799 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.426 0.600 -24.659 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.183 2.157 -24.244 1.00 0.00 H new ATOM 229 N LEU A 75 10.815 -0.961 -22.189 1.00 0.00 N ATOM 230 CA LEU A 75 9.675 -1.723 -22.686 1.00 0.00 C ATOM 231 C LEU A 75 8.362 -1.038 -22.321 1.00 0.00 C ATOM 232 O LEU A 75 7.522 -0.782 -23.185 1.00 0.00 O ATOM 233 CB LEU A 75 9.697 -3.142 -22.117 1.00 0.00 C ATOM 234 CG LEU A 75 10.869 -4.022 -22.554 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.841 -5.353 -21.819 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.838 -4.242 -24.060 1.00 0.00 C ATOM 0 H LEU A 75 11.433 -1.483 -21.568 1.00 0.00 H new ATOM 0 HA LEU A 75 9.749 -1.773 -23.772 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.704 -3.076 -21.029 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.770 -3.640 -22.400 1.00 0.00 H new ATOM 0 HG LEU A 75 11.797 -3.510 -22.300 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.682 -5.965 -22.143 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.912 -5.177 -20.746 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.908 -5.872 -22.041 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.679 -4.870 -24.353 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.905 -4.732 -24.337 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.908 -3.281 -24.570 1.00 0.00 H new ATOM 248 N ILE A 76 8.192 -0.740 -21.037 1.00 0.00 N ATOM 249 CA ILE A 76 6.983 -0.082 -20.559 1.00 0.00 C ATOM 250 C ILE A 76 6.743 1.230 -21.299 1.00 0.00 C ATOM 251 O ILE A 76 5.621 1.526 -21.711 1.00 0.00 O ATOM 252 CB ILE A 76 7.056 0.200 -19.047 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.181 -1.110 -18.267 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.829 0.978 -18.594 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.056 -2.085 -18.539 1.00 0.00 C ATOM 0 H ILE A 76 8.877 -0.944 -20.309 1.00 0.00 H new ATOM 0 HA ILE A 76 6.154 -0.763 -20.753 1.00 0.00 H new ATOM 0 HB ILE A 76 7.940 0.805 -18.847 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.130 -1.584 -18.518 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.208 -0.887 -17.200 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.895 1.170 -17.523 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.781 1.926 -19.130 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.931 0.396 -18.804 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.210 -2.991 -17.953 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.105 -1.630 -18.261 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.042 -2.337 -19.599 1.00 0.00 H new ATOM 267 N ILE A 77 7.805 2.012 -21.465 1.00 0.00 N ATOM 268 CA ILE A 77 7.710 3.291 -22.157 1.00 0.00 C ATOM 269 C ILE A 77 7.292 3.100 -23.611 1.00 0.00 C ATOM 270 O ILE A 77 6.368 3.755 -24.094 1.00 0.00 O ATOM 271 CB ILE A 77 9.047 4.054 -22.115 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.411 4.411 -20.673 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.968 5.309 -22.973 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.521 5.474 -20.070 1.00 0.00 C ATOM 0 H ILE A 77 8.740 1.782 -21.130 1.00 0.00 H new ATOM 0 HA ILE A 77 6.951 3.875 -21.637 1.00 0.00 H new ATOM 0 HB ILE A 77 9.828 3.410 -22.518 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.355 3.512 -20.060 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.445 4.754 -20.642 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.920 5.838 -22.933 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.750 5.032 -24.004 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.177 5.958 -22.597 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.838 5.676 -19.047 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.595 6.388 -20.660 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.488 5.126 -20.068 1.00 0.00 H new ATOM 286 N PHE A 78 7.977 2.196 -24.304 1.00 0.00 N ATOM 287 CA PHE A 78 7.677 1.916 -25.703 1.00 0.00 C ATOM 288 C PHE A 78 6.207 1.548 -25.881 1.00 0.00 C ATOM 289 O PHE A 78 5.528 2.065 -26.767 1.00 0.00 O ATOM 290 CB PHE A 78 8.564 0.782 -26.221 1.00 0.00 C ATOM 291 CG PHE A 78 8.183 0.300 -27.591 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.675 0.930 -28.723 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.333 -0.782 -27.747 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.325 0.489 -29.985 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.979 -1.228 -29.007 1.00 0.00 C ATOM 296 CZ PHE A 78 7.477 -0.592 -30.127 1.00 0.00 C ATOM 0 H PHE A 78 8.744 1.645 -23.919 1.00 0.00 H new ATOM 0 HA PHE A 78 7.880 2.819 -26.279 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.600 1.121 -26.239 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.515 -0.054 -25.524 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.339 1.775 -28.618 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.942 -1.283 -26.874 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.714 0.989 -30.860 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.314 -2.072 -29.115 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.204 -0.939 -31.112 1.00 0.00 H new ATOM 306 N GLY A 79 5.721 0.649 -25.030 1.00 0.00 N ATOM 307 CA GLY A 79 4.335 0.226 -25.109 1.00 0.00 C ATOM 308 C GLY A 79 3.367 1.387 -25.006 1.00 0.00 C ATOM 309 O GLY A 79 2.515 1.574 -25.875 1.00 0.00 O ATOM 0 H GLY A 79 6.262 0.206 -24.288 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.171 -0.297 -26.051 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.130 -0.486 -24.310 1.00 0.00 H new ATOM 313 N VAL A 80 3.496 2.170 -23.939 1.00 0.00 N ATOM 314 CA VAL A 80 2.625 3.320 -23.725 1.00 0.00 C ATOM 315 C VAL A 80 2.783 4.345 -24.842 1.00 0.00 C ATOM 316 O VAL A 80 1.823 5.014 -25.225 1.00 0.00 O ATOM 317 CB VAL A 80 2.915 4.000 -22.374 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.954 5.155 -22.140 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.833 2.989 -21.240 1.00 0.00 C ATOM 0 H VAL A 80 4.195 2.029 -23.210 1.00 0.00 H new ATOM 0 HA VAL A 80 1.601 2.945 -23.722 1.00 0.00 H new ATOM 0 HB VAL A 80 3.928 4.402 -22.399 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.174 5.623 -21.181 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.068 5.890 -22.937 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.930 4.781 -22.135 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.041 3.487 -20.293 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.833 2.556 -21.211 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.566 2.199 -21.403 1.00 0.00 H new ATOM 329 N MET A 81 4.000 4.463 -25.362 1.00 0.00 N ATOM 330 CA MET A 81 4.284 5.406 -26.437 1.00 0.00 C ATOM 331 C MET A 81 3.545 5.013 -27.713 1.00 0.00 C ATOM 332 O MET A 81 2.914 5.850 -28.358 1.00 0.00 O ATOM 333 CB MET A 81 5.789 5.470 -26.704 1.00 0.00 C ATOM 334 CG MET A 81 6.554 6.290 -25.678 1.00 0.00 C ATOM 335 SD MET A 81 7.208 7.825 -26.362 1.00 0.00 S ATOM 336 CE MET A 81 8.545 7.200 -27.376 1.00 0.00 C ATOM 0 H MET A 81 4.806 3.917 -25.056 1.00 0.00 H new ATOM 0 HA MET A 81 3.936 6.391 -26.125 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.190 4.457 -26.719 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.956 5.894 -27.694 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.896 6.521 -24.840 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.376 5.694 -25.282 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.093 8.036 -27.811 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.220 6.604 -26.762 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.137 6.579 -28.174 1.00 0.00 H new ATOM 346 N ALA A 82 3.630 3.736 -28.071 1.00 0.00 N ATOM 347 CA ALA A 82 2.968 3.234 -29.269 1.00 0.00 C ATOM 348 C ALA A 82 1.452 3.310 -29.132 1.00 0.00 C ATOM 349 O ALA A 82 0.756 3.740 -30.051 1.00 0.00 O ATOM 350 CB ALA A 82 3.403 1.803 -29.551 1.00 0.00 C ATOM 0 H ALA A 82 4.150 3.031 -27.549 1.00 0.00 H new ATOM 0 HA ALA A 82 3.262 3.865 -30.108 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.901 1.440 -30.448 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.482 1.774 -29.702 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.138 1.169 -28.705 1.00 0.00 H new ATOM 356 N GLY A 83 0.945 2.889 -27.977 1.00 0.00 N ATOM 357 CA GLY A 83 -0.487 2.917 -27.741 1.00 0.00 C ATOM 358 C GLY A 83 -1.054 4.323 -27.782 1.00 0.00 C ATOM 359 O GLY A 83 -2.028 4.587 -28.487 1.00 0.00 O ATOM 0 H GLY A 83 1.500 2.529 -27.201 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.988 2.305 -28.491 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.701 2.470 -26.770 1.00 0.00 H new ATOM 363 N VAL A 84 -0.443 5.228 -27.024 1.00 0.00 N ATOM 364 CA VAL A 84 -0.893 6.614 -26.976 1.00 0.00 C ATOM 365 C VAL A 84 -0.972 7.214 -28.375 1.00 0.00 C ATOM 366 O VAL A 84 -2.029 7.677 -28.804 1.00 0.00 O ATOM 367 CB VAL A 84 0.043 7.478 -26.110 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.263 8.956 -26.304 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.076 7.088 -24.645 1.00 0.00 C ATOM 0 H VAL A 84 0.365 5.026 -26.435 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.887 6.609 -26.529 1.00 0.00 H new ATOM 0 HB VAL A 84 1.071 7.300 -26.427 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.408 9.551 -25.684 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.121 9.222 -27.351 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.295 9.155 -26.015 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.592 7.709 -24.048 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.103 7.236 -24.311 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.198 6.040 -24.524 1.00 0.00 H new ATOM 379 N ILE A 85 0.153 7.203 -29.082 1.00 0.00 N ATOM 380 CA ILE A 85 0.211 7.746 -30.434 1.00 0.00 C ATOM 381 C ILE A 85 -0.831 7.090 -31.334 1.00 0.00 C ATOM 382 O ILE A 85 -1.483 7.758 -32.135 1.00 0.00 O ATOM 383 CB ILE A 85 1.606 7.554 -31.058 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.663 8.289 -30.232 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.614 8.047 -32.497 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.497 9.792 -30.237 1.00 0.00 C ATOM 0 H ILE A 85 1.037 6.824 -28.741 1.00 0.00 H new ATOM 0 HA ILE A 85 0.001 8.813 -30.356 1.00 0.00 H new ATOM 0 HB ILE A 85 1.846 6.491 -31.057 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.622 7.931 -29.203 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.652 8.040 -30.618 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.606 7.905 -32.925 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.884 7.484 -33.079 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.357 9.106 -32.520 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.281 10.247 -29.631 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.568 10.162 -31.260 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.522 10.052 -29.824 1.00 0.00 H new ATOM 398 N GLY A 86 -0.983 5.776 -31.195 1.00 0.00 N ATOM 399 CA GLY A 86 -1.948 5.052 -32.000 1.00 0.00 C ATOM 400 C GLY A 86 -3.360 5.576 -31.825 1.00 0.00 C ATOM 401 O GLY A 86 -4.041 5.888 -32.803 1.00 0.00 O ATOM 0 H GLY A 86 -0.455 5.201 -30.539 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.666 5.122 -33.050 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.920 3.996 -31.732 1.00 0.00 H new ATOM 405 N THR A 87 -3.802 5.674 -30.575 1.00 0.00 N ATOM 406 CA THR A 87 -5.143 6.161 -30.275 1.00 0.00 C ATOM 407 C THR A 87 -5.364 7.554 -30.854 1.00 0.00 C ATOM 408 O THR A 87 -6.403 7.829 -31.454 1.00 0.00 O ATOM 409 CB THR A 87 -5.398 6.203 -28.756 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.842 5.040 -28.134 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.888 6.279 -28.460 1.00 0.00 C ATOM 0 H THR A 87 -3.251 5.423 -29.754 1.00 0.00 H new ATOM 0 HA THR A 87 -5.843 5.464 -30.735 1.00 0.00 H new ATOM 0 HB THR A 87 -4.917 7.095 -28.353 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.920 4.275 -28.742 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.044 6.308 -27.382 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.303 7.181 -28.911 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.387 5.403 -28.875 1.00 0.00 H new ATOM 419 N ILE A 88 -4.380 8.428 -30.672 1.00 0.00 N ATOM 420 CA ILE A 88 -4.467 9.792 -31.179 1.00 0.00 C ATOM 421 C ILE A 88 -4.778 9.805 -32.672 1.00 0.00 C ATOM 422 O ILE A 88 -5.707 10.479 -33.118 1.00 0.00 O ATOM 423 CB ILE A 88 -3.161 10.570 -30.931 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.848 10.620 -29.434 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.265 11.976 -31.503 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.384 10.847 -29.130 1.00 0.00 C ATOM 0 H ILE A 88 -3.513 8.216 -30.177 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.278 10.278 -30.637 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.346 10.053 -31.437 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.434 11.416 -28.975 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.166 9.685 -28.973 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.334 12.513 -31.320 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.446 11.920 -32.576 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.089 12.504 -31.023 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.236 10.871 -28.050 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.793 10.038 -29.559 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.066 11.796 -29.561 1.00 0.00 H new ATOM 438 N LEU A 89 -3.995 9.055 -33.440 1.00 0.00 N ATOM 439 CA LEU A 89 -4.188 8.978 -34.884 1.00 0.00 C ATOM 440 C LEU A 89 -5.605 8.526 -35.221 1.00 0.00 C ATOM 441 O LEU A 89 -6.312 9.182 -35.987 1.00 0.00 O ATOM 442 CB LEU A 89 -3.172 8.016 -35.502 1.00 0.00 C ATOM 443 CG LEU A 89 -1.742 8.542 -35.633 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.746 7.393 -35.608 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.588 9.357 -36.909 1.00 0.00 C ATOM 0 H LEU A 89 -3.221 8.492 -33.087 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.037 9.974 -35.300 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.150 7.107 -34.900 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.526 7.733 -36.493 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.535 9.193 -34.783 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.266 7.787 -35.702 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.838 6.852 -34.666 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.951 6.716 -36.437 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.564 9.723 -36.985 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.814 8.730 -37.771 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.275 10.203 -36.886 1.00 0.00 H new ATOM 457 N LEU A 90 -6.015 7.402 -34.643 1.00 0.00 N ATOM 458 CA LEU A 90 -7.349 6.862 -34.881 1.00 0.00 C ATOM 459 C LEU A 90 -8.422 7.881 -34.510 1.00 0.00 C ATOM 460 O LEU A 90 -9.318 8.170 -35.304 1.00 0.00 O ATOM 461 CB LEU A 90 -7.551 5.577 -34.077 1.00 0.00 C ATOM 462 CG LEU A 90 -6.582 4.435 -34.383 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.936 3.201 -33.567 1.00 0.00 C ATOM 464 CD2 LEU A 90 -6.589 4.113 -35.870 1.00 0.00 C ATOM 0 H LEU A 90 -5.443 6.847 -34.006 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.439 6.636 -35.944 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.473 5.819 -33.017 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.567 5.221 -34.248 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.577 4.753 -34.105 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.235 2.399 -33.798 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.878 3.438 -32.505 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.948 2.881 -33.813 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.893 3.298 -36.069 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.593 3.816 -36.173 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.286 4.995 -36.435 1.00 0.00 H new ATOM 476 N ILE A 91 -8.324 8.423 -33.301 1.00 0.00 N ATOM 477 CA ILE A 91 -9.284 9.412 -32.828 1.00 0.00 C ATOM 478 C ILE A 91 -9.387 10.586 -33.795 1.00 0.00 C ATOM 479 O ILE A 91 -10.483 11.003 -34.167 1.00 0.00 O ATOM 480 CB ILE A 91 -8.904 9.943 -31.432 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.102 8.852 -30.377 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.731 11.174 -31.091 1.00 0.00 C ATOM 483 CD1 ILE A 91 -10.546 8.442 -30.195 1.00 0.00 C ATOM 0 H ILE A 91 -7.590 8.194 -32.631 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.249 8.910 -32.767 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.852 10.227 -31.441 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.517 7.976 -30.658 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.710 9.205 -29.423 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.451 11.538 -30.102 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.545 11.953 -31.830 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.790 10.914 -31.096 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.610 7.666 -29.432 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.133 9.306 -29.884 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.937 8.058 -31.137 1.00 0.00 H new ATOM 495 N SER A 92 -8.236 11.115 -34.200 1.00 0.00 N ATOM 496 CA SER A 92 -8.196 12.243 -35.123 1.00 0.00 C ATOM 497 C SER A 92 -8.971 11.928 -36.399 1.00 0.00 C ATOM 498 O SER A 92 -9.525 12.823 -37.038 1.00 0.00 O ATOM 499 CB SER A 92 -6.747 12.596 -35.467 1.00 0.00 C ATOM 500 OG SER A 92 -6.686 13.465 -36.585 1.00 0.00 O ATOM 0 H SER A 92 -7.319 10.780 -33.903 1.00 0.00 H new ATOM 0 HA SER A 92 -8.665 13.097 -34.635 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.271 13.069 -34.608 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.188 11.685 -35.680 1.00 0.00 H new ATOM 0 HG SER A 92 -5.750 13.677 -36.784 1.00 0.00 H new ATOM 506 N TYR A 93 -9.006 10.651 -36.763 1.00 0.00 N ATOM 507 CA TYR A 93 -9.711 10.218 -37.964 1.00 0.00 C ATOM 508 C TYR A 93 -11.221 10.281 -37.761 1.00 0.00 C ATOM 509 O TYR A 93 -11.967 10.634 -38.673 1.00 0.00 O ATOM 510 CB TYR A 93 -9.294 8.795 -38.339 1.00 0.00 C ATOM 511 CG TYR A 93 -9.636 8.420 -39.763 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.754 8.684 -40.803 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.842 7.800 -40.068 1.00 0.00 C ATOM 514 CE1 TYR A 93 -9.063 8.343 -42.106 1.00 0.00 C ATOM 515 CE2 TYR A 93 -11.158 7.454 -41.368 1.00 0.00 C ATOM 516 CZ TYR A 93 -10.266 7.729 -42.383 1.00 0.00 C ATOM 517 OH TYR A 93 -10.577 7.387 -43.679 1.00 0.00 O ATOM 0 H TYR A 93 -8.555 9.898 -36.244 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.444 10.894 -38.776 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.219 8.690 -38.193 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.778 8.093 -37.661 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.810 9.164 -40.590 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.544 7.585 -39.276 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.366 8.556 -42.903 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.099 6.971 -41.588 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.460 6.962 -43.702 1.00 0.00 H new ATOM 527 N GLY A 94 -11.665 9.935 -36.556 1.00 0.00 N ATOM 528 CA GLY A 94 -13.084 9.959 -36.254 1.00 0.00 C ATOM 529 C GLY A 94 -13.667 11.358 -36.314 1.00 0.00 C ATOM 530 O GLY A 94 -14.808 11.544 -36.737 1.00 0.00 O ATOM 0 H GLY A 94 -11.067 9.639 -35.784 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.613 9.318 -36.959 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.248 9.543 -35.260 1.00 0.00 H new ATOM 534 N ILE A 95 -12.882 12.342 -35.889 1.00 0.00 N ATOM 535 CA ILE A 95 -13.327 13.730 -35.897 1.00 0.00 C ATOM 536 C ILE A 95 -13.547 14.229 -37.321 1.00 0.00 C ATOM 537 O ILE A 95 -14.414 15.067 -37.569 1.00 0.00 O ATOM 538 CB ILE A 95 -12.313 14.651 -35.193 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.110 14.208 -33.743 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.781 16.097 -35.250 1.00 0.00 C ATOM 541 CD1 ILE A 95 -10.884 14.811 -33.093 1.00 0.00 C ATOM 0 H ILE A 95 -11.935 12.204 -35.535 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.271 13.761 -35.354 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.358 14.579 -35.713 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.991 14.481 -33.162 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -12.031 13.121 -33.711 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.053 16.735 -34.748 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.879 16.407 -36.290 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.747 16.187 -34.752 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.803 14.453 -32.067 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.995 14.517 -33.651 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.970 15.898 -33.093 1.00 0.00 H new ATOM 553 N ARG A 96 -12.758 13.707 -38.254 1.00 0.00 N ATOM 554 CA ARG A 96 -12.866 14.099 -39.654 1.00 0.00 C ATOM 555 C ARG A 96 -14.099 13.473 -40.299 1.00 0.00 C ATOM 556 O ARG A 96 -14.822 14.131 -41.047 1.00 0.00 O ATOM 557 CB ARG A 96 -11.609 13.685 -40.420 1.00 0.00 C ATOM 558 CG ARG A 96 -11.198 14.675 -41.497 1.00 0.00 C ATOM 559 CD ARG A 96 -11.944 14.425 -42.798 1.00 0.00 C ATOM 560 NE ARG A 96 -11.159 14.822 -43.964 1.00 0.00 N ATOM 561 CZ ARG A 96 -10.998 16.083 -44.348 1.00 0.00 C ATOM 562 NH1 ARG A 96 -11.564 17.066 -43.661 1.00 0.00 N ATOM 563 NH2 ARG A 96 -10.269 16.364 -45.420 1.00 0.00 N ATOM 0 H ARG A 96 -12.036 13.011 -38.066 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.967 15.184 -39.696 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.787 13.566 -39.715 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.778 12.711 -40.879 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.394 15.691 -41.153 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.125 14.600 -41.672 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.196 13.367 -42.874 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.884 14.977 -42.789 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.709 14.090 -44.514 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.125 16.854 -42.836 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.439 18.034 -43.958 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.831 15.611 -45.951 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.146 17.333 -45.714 1.00 0.00 H new ATOM 577 N ARG A 97 -14.331 12.198 -40.006 1.00 0.00 N ATOM 578 CA ARG A 97 -15.474 11.482 -40.559 1.00 0.00 C ATOM 579 C ARG A 97 -15.491 11.579 -42.082 1.00 0.00 C ATOM 580 O ARG A 97 -16.549 11.505 -42.708 1.00 0.00 O ATOM 581 CB ARG A 97 -16.778 12.042 -39.988 1.00 0.00 C ATOM 582 CG ARG A 97 -17.979 11.138 -40.212 1.00 0.00 C ATOM 583 CD ARG A 97 -19.030 11.329 -39.129 1.00 0.00 C ATOM 584 NE ARG A 97 -20.209 10.497 -39.358 1.00 0.00 N ATOM 585 CZ ARG A 97 -21.249 10.455 -38.534 1.00 0.00 C ATOM 586 NH1 ARG A 97 -21.257 11.193 -37.432 1.00 0.00 N ATOM 587 NH2 ARG A 97 -22.285 9.673 -38.810 1.00 0.00 N ATOM 0 H ARG A 97 -13.742 11.639 -39.388 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.383 10.432 -40.279 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.654 12.209 -38.918 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.976 13.013 -40.441 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.418 11.349 -41.187 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.655 10.097 -40.226 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.598 11.087 -38.158 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -19.327 12.377 -39.093 1.00 0.00 H new ATOM 0 HE ARG A 97 -20.234 9.917 -40.197 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.463 11.795 -37.216 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -22.058 11.159 -36.801 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -22.283 9.103 -39.656 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -23.083 9.642 -38.176 1.00 0.00 H new ATOM 601 N LEU A 98 -14.312 11.743 -42.672 1.00 0.00 N ATOM 602 CA LEU A 98 -14.191 11.850 -44.122 1.00 0.00 C ATOM 603 C LEU A 98 -15.151 12.900 -44.673 1.00 0.00 C ATOM 604 O LEU A 98 -16.206 12.538 -45.190 1.00 0.00 O ATOM 605 CB LEU A 98 -14.467 10.496 -44.778 1.00 0.00 C ATOM 606 CG LEU A 98 -14.320 10.445 -46.299 1.00 0.00 C ATOM 607 CD1 LEU A 98 -12.861 10.591 -46.700 1.00 0.00 C ATOM 608 CD2 LEU A 98 -14.898 9.148 -46.847 1.00 0.00 C ATOM 0 H LEU A 98 -13.427 11.805 -42.169 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.172 12.159 -44.355 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -13.792 9.760 -44.343 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.481 10.190 -44.521 1.00 0.00 H new ATOM 0 HG LEU A 98 -14.878 11.278 -46.727 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.777 10.552 -47.786 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.479 11.546 -46.340 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.280 9.779 -46.262 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -14.785 9.129 -47.931 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -14.368 8.301 -46.412 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -15.956 9.084 -46.591 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 19.643 2.489 -0.025 1.00 0.00 N ATOM 622 CA ARG B 61 20.038 1.272 0.675 1.00 0.00 C ATOM 623 C ARG B 61 18.815 0.519 1.190 1.00 0.00 C ATOM 624 O ARG B 61 18.118 0.988 2.089 1.00 0.00 O ATOM 625 CB ARG B 61 20.972 1.608 1.839 1.00 0.00 C ATOM 626 CG ARG B 61 22.410 1.857 1.415 1.00 0.00 C ATOM 627 CD ARG B 61 23.293 2.192 2.607 1.00 0.00 C ATOM 628 NE ARG B 61 24.665 2.490 2.205 1.00 0.00 N ATOM 629 CZ ARG B 61 25.647 2.731 3.067 1.00 0.00 C ATOM 630 NH1 ARG B 61 25.410 2.707 4.371 1.00 0.00 N ATOM 631 NH2 ARG B 61 26.869 2.995 2.624 1.00 0.00 N ATOM 0 HA ARG B 61 20.566 0.632 -0.032 1.00 0.00 H new ATOM 0 HB2 ARG B 61 20.595 2.493 2.352 1.00 0.00 H new ATOM 0 HB3 ARG B 61 20.951 0.789 2.558 1.00 0.00 H new ATOM 0 HG2 ARG B 61 22.799 0.973 0.909 1.00 0.00 H new ATOM 0 HG3 ARG B 61 22.442 2.676 0.696 1.00 0.00 H new ATOM 0 HD2 ARG B 61 22.877 3.048 3.137 1.00 0.00 H new ATOM 0 HD3 ARG B 61 23.293 1.354 3.305 1.00 0.00 H new ATOM 0 HE ARG B 61 24.881 2.514 1.208 1.00 0.00 H new ATOM 0 HH11 ARG B 61 24.472 2.503 4.715 1.00 0.00 H new ATOM 0 HH12 ARG B 61 26.166 2.892 5.030 1.00 0.00 H new ATOM 0 HH21 ARG B 61 27.055 3.013 1.621 1.00 0.00 H new ATOM 0 HH22 ARG B 61 27.623 3.180 3.286 1.00 0.00 H new ATOM 645 N VAL B 62 18.560 -0.651 0.613 1.00 0.00 N ATOM 646 CA VAL B 62 17.422 -1.469 1.014 1.00 0.00 C ATOM 647 C VAL B 62 17.589 -2.910 0.545 1.00 0.00 C ATOM 648 O VAL B 62 17.828 -3.165 -0.635 1.00 0.00 O ATOM 649 CB VAL B 62 16.102 -0.908 0.453 1.00 0.00 C ATOM 650 CG1 VAL B 62 16.157 -0.830 -1.065 1.00 0.00 C ATOM 651 CG2 VAL B 62 14.926 -1.758 0.909 1.00 0.00 C ATOM 0 H VAL B 62 19.126 -1.054 -0.134 1.00 0.00 H new ATOM 0 HA VAL B 62 17.384 -1.446 2.103 1.00 0.00 H new ATOM 0 HB VAL B 62 15.963 0.102 0.840 1.00 0.00 H new ATOM 0 HG11 VAL B 62 15.216 -0.431 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL B 62 16.975 -0.176 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL B 62 16.320 -1.827 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL B 62 14.001 -1.347 0.504 1.00 0.00 H new ATOM 0 HG22 VAL B 62 15.056 -2.780 0.553 1.00 0.00 H new ATOM 0 HG23 VAL B 62 14.877 -1.757 1.998 1.00 0.00 H new ATOM 661 N GLN B 63 17.461 -3.849 1.478 1.00 0.00 N ATOM 662 CA GLN B 63 17.598 -5.265 1.159 1.00 0.00 C ATOM 663 C GLN B 63 16.363 -5.780 0.427 1.00 0.00 C ATOM 664 O GLN B 63 15.272 -5.224 0.560 1.00 0.00 O ATOM 665 CB GLN B 63 17.824 -6.077 2.436 1.00 0.00 C ATOM 666 CG GLN B 63 16.803 -5.794 3.526 1.00 0.00 C ATOM 667 CD GLN B 63 16.669 -6.937 4.512 1.00 0.00 C ATOM 668 OE1 GLN B 63 17.593 -7.733 4.686 1.00 0.00 O ATOM 669 NE2 GLN B 63 15.516 -7.026 5.163 1.00 0.00 N ATOM 0 H GLN B 63 17.263 -3.655 2.459 1.00 0.00 H new ATOM 0 HA GLN B 63 18.461 -5.382 0.504 1.00 0.00 H new ATOM 0 HB2 GLN B 63 17.797 -7.139 2.191 1.00 0.00 H new ATOM 0 HB3 GLN B 63 18.822 -5.864 2.820 1.00 0.00 H new ATOM 0 HG2 GLN B 63 17.091 -4.889 4.062 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.833 -5.599 3.068 1.00 0.00 H new ATOM 0 HE21 GLN B 63 14.777 -6.345 4.988 1.00 0.00 H new ATOM 0 HE22 GLN B 63 15.368 -7.776 5.839 1.00 0.00 H new ATOM 678 N LEU B 64 16.541 -6.845 -0.346 1.00 0.00 N ATOM 679 CA LEU B 64 15.441 -7.436 -1.101 1.00 0.00 C ATOM 680 C LEU B 64 15.795 -8.844 -1.567 1.00 0.00 C ATOM 681 O LEU B 64 16.947 -9.267 -1.478 1.00 0.00 O ATOM 682 CB LEU B 64 15.094 -6.560 -2.305 1.00 0.00 C ATOM 683 CG LEU B 64 16.202 -6.375 -3.343 1.00 0.00 C ATOM 684 CD1 LEU B 64 15.608 -6.116 -4.718 1.00 0.00 C ATOM 685 CD2 LEU B 64 17.129 -5.239 -2.937 1.00 0.00 C ATOM 0 H LEU B 64 17.437 -7.318 -0.467 1.00 0.00 H new ATOM 0 HA LEU B 64 14.574 -7.498 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU B 64 14.225 -6.990 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU B 64 14.798 -5.577 -1.940 1.00 0.00 H new ATOM 0 HG LEU B 64 16.786 -7.294 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU B 64 16.412 -5.987 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU B 64 14.987 -6.962 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU B 64 14.999 -5.213 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU B 64 17.911 -5.122 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU B 64 16.558 -4.314 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU B 64 17.583 -5.467 -1.972 1.00 0.00 H new ATOM 697 N ALA B 65 14.796 -9.565 -2.067 1.00 0.00 N ATOM 698 CA ALA B 65 15.003 -10.924 -2.551 1.00 0.00 C ATOM 699 C ALA B 65 13.949 -11.305 -3.585 1.00 0.00 C ATOM 700 O ALA B 65 13.540 -12.463 -3.672 1.00 0.00 O ATOM 701 CB ALA B 65 14.985 -11.907 -1.390 1.00 0.00 C ATOM 0 H ALA B 65 13.836 -9.230 -2.147 1.00 0.00 H new ATOM 0 HA ALA B 65 15.980 -10.966 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA B 65 15.141 -12.918 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA B 65 15.779 -11.655 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA B 65 14.022 -11.853 -0.883 1.00 0.00 H new ATOM 707 N HIS B 66 13.511 -10.322 -4.367 1.00 0.00 N ATOM 708 CA HIS B 66 12.504 -10.555 -5.396 1.00 0.00 C ATOM 709 C HIS B 66 13.102 -11.305 -6.582 1.00 0.00 C ATOM 710 O HIS B 66 14.222 -11.022 -7.008 1.00 0.00 O ATOM 711 CB HIS B 66 11.907 -9.228 -5.864 1.00 0.00 C ATOM 712 CG HIS B 66 10.410 -9.210 -5.864 1.00 0.00 C ATOM 713 ND1 HIS B 66 9.670 -8.112 -5.480 1.00 0.00 N ATOM 714 CD2 HIS B 66 9.513 -10.165 -6.205 1.00 0.00 C ATOM 715 CE1 HIS B 66 8.383 -8.392 -5.583 1.00 0.00 C ATOM 716 NE2 HIS B 66 8.261 -9.632 -6.022 1.00 0.00 N ATOM 0 H HIS B 66 13.838 -9.358 -4.307 1.00 0.00 H new ATOM 0 HA HIS B 66 11.713 -11.168 -4.964 1.00 0.00 H new ATOM 0 HB2 HIS B 66 12.271 -8.428 -5.219 1.00 0.00 H new ATOM 0 HB3 HIS B 66 12.264 -9.014 -6.871 1.00 0.00 H new ATOM 0 HD2 HIS B 66 9.740 -11.161 -6.556 1.00 0.00 H new ATOM 0 HE1 HIS B 66 7.569 -7.722 -5.348 1.00 0.00 H new ATOM 0 HE2 HIS B 66 7.380 -10.115 -6.197 1.00 0.00 H new ATOM 724 N HIS B 67 12.347 -12.263 -7.111 1.00 0.00 N ATOM 725 CA HIS B 67 12.803 -13.054 -8.249 1.00 0.00 C ATOM 726 C HIS B 67 11.745 -14.073 -8.661 1.00 0.00 C ATOM 727 O HIS B 67 12.068 -15.192 -9.059 1.00 0.00 O ATOM 728 CB HIS B 67 14.111 -13.769 -7.908 1.00 0.00 C ATOM 729 CG HIS B 67 15.148 -13.665 -8.984 1.00 0.00 C ATOM 730 ND1 HIS B 67 15.670 -14.763 -9.635 1.00 0.00 N ATOM 731 CD2 HIS B 67 15.759 -12.584 -9.523 1.00 0.00 C ATOM 732 CE1 HIS B 67 16.558 -14.362 -10.527 1.00 0.00 C ATOM 733 NE2 HIS B 67 16.631 -13.044 -10.479 1.00 0.00 N ATOM 0 H HIS B 67 11.418 -12.510 -6.770 1.00 0.00 H new ATOM 0 HA HIS B 67 12.975 -12.377 -9.086 1.00 0.00 H new ATOM 0 HB2 HIS B 67 14.514 -13.352 -6.985 1.00 0.00 H new ATOM 0 HB3 HIS B 67 13.901 -14.821 -7.717 1.00 0.00 H new ATOM 0 HD2 HIS B 67 15.592 -11.552 -9.252 1.00 0.00 H new ATOM 0 HE1 HIS B 67 17.127 -15.003 -11.184 1.00 0.00 H new ATOM 0 HE2 HIS B 67 17.237 -12.462 -11.058 1.00 0.00 H new ATOM 741 N PHE B 68 10.480 -13.678 -8.562 1.00 0.00 N ATOM 742 CA PHE B 68 9.374 -14.558 -8.922 1.00 0.00 C ATOM 743 C PHE B 68 9.534 -15.077 -10.348 1.00 0.00 C ATOM 744 O PHE B 68 9.686 -16.278 -10.569 1.00 0.00 O ATOM 745 CB PHE B 68 8.041 -13.819 -8.783 1.00 0.00 C ATOM 746 CG PHE B 68 6.972 -14.633 -8.112 1.00 0.00 C ATOM 747 CD1 PHE B 68 7.111 -15.030 -6.792 1.00 0.00 C ATOM 748 CD2 PHE B 68 5.828 -15.002 -8.802 1.00 0.00 C ATOM 749 CE1 PHE B 68 6.129 -15.779 -6.171 1.00 0.00 C ATOM 750 CE2 PHE B 68 4.842 -15.750 -8.186 1.00 0.00 C ATOM 751 CZ PHE B 68 4.993 -16.140 -6.870 1.00 0.00 C ATOM 0 H PHE B 68 10.195 -12.755 -8.236 1.00 0.00 H new ATOM 0 HA PHE B 68 9.383 -15.409 -8.241 1.00 0.00 H new ATOM 0 HB2 PHE B 68 8.200 -12.903 -8.214 1.00 0.00 H new ATOM 0 HB3 PHE B 68 7.694 -13.523 -9.773 1.00 0.00 H new ATOM 0 HD1 PHE B 68 7.997 -14.751 -6.241 1.00 0.00 H new ATOM 0 HD2 PHE B 68 5.706 -14.702 -9.832 1.00 0.00 H new ATOM 0 HE1 PHE B 68 6.249 -16.082 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE B 68 3.954 -16.029 -8.734 1.00 0.00 H new ATOM 0 HZ PHE B 68 4.225 -16.726 -6.388 1.00 0.00 H new ATOM 761 N SER B 69 9.500 -14.162 -11.312 1.00 0.00 N ATOM 762 CA SER B 69 9.637 -14.527 -12.717 1.00 0.00 C ATOM 763 C SER B 69 10.168 -13.353 -13.534 1.00 0.00 C ATOM 764 O SER B 69 10.476 -12.293 -12.989 1.00 0.00 O ATOM 765 CB SER B 69 8.291 -14.987 -13.280 1.00 0.00 C ATOM 766 OG SER B 69 7.986 -16.305 -12.860 1.00 0.00 O ATOM 0 H SER B 69 9.379 -13.163 -11.146 1.00 0.00 H new ATOM 0 HA SER B 69 10.351 -15.348 -12.786 1.00 0.00 H new ATOM 0 HB2 SER B 69 7.505 -14.307 -12.953 1.00 0.00 H new ATOM 0 HB3 SER B 69 8.315 -14.946 -14.369 1.00 0.00 H new ATOM 0 HG SER B 69 8.560 -16.548 -12.104 1.00 0.00 H new ATOM 772 N GLU B 70 10.272 -13.550 -14.844 1.00 0.00 N ATOM 773 CA GLU B 70 10.766 -12.508 -15.736 1.00 0.00 C ATOM 774 C GLU B 70 9.926 -12.437 -17.008 1.00 0.00 C ATOM 775 O GLU B 70 10.351 -12.852 -18.087 1.00 0.00 O ATOM 776 CB GLU B 70 12.232 -12.765 -16.094 1.00 0.00 C ATOM 777 CG GLU B 70 13.215 -12.132 -15.123 1.00 0.00 C ATOM 778 CD GLU B 70 14.659 -12.383 -15.509 1.00 0.00 C ATOM 779 OE1 GLU B 70 15.134 -11.751 -16.476 1.00 0.00 O ATOM 780 OE2 GLU B 70 15.315 -13.212 -14.844 1.00 0.00 O ATOM 0 H GLU B 70 10.021 -14.421 -15.311 1.00 0.00 H new ATOM 0 HA GLU B 70 10.688 -11.553 -15.216 1.00 0.00 H new ATOM 0 HB2 GLU B 70 12.407 -13.840 -16.125 1.00 0.00 H new ATOM 0 HB3 GLU B 70 12.425 -12.381 -17.096 1.00 0.00 H new ATOM 0 HG2 GLU B 70 13.036 -11.058 -15.079 1.00 0.00 H new ATOM 0 HG3 GLU B 70 13.036 -12.526 -14.122 1.00 0.00 H new ATOM 787 N PRO B 71 8.704 -11.899 -16.880 1.00 0.00 N ATOM 788 CA PRO B 71 7.778 -11.760 -18.008 1.00 0.00 C ATOM 789 C PRO B 71 8.242 -10.712 -19.013 1.00 0.00 C ATOM 790 O PRO B 71 9.353 -10.192 -18.913 1.00 0.00 O ATOM 791 CB PRO B 71 6.471 -11.322 -17.343 1.00 0.00 C ATOM 792 CG PRO B 71 6.894 -10.660 -16.077 1.00 0.00 C ATOM 793 CD PRO B 71 8.133 -11.384 -15.625 1.00 0.00 C ATOM 0 HA PRO B 71 7.692 -12.684 -18.580 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.912 -10.637 -17.981 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.822 -12.175 -17.146 1.00 0.00 H new ATOM 0 HG2 PRO B 71 7.098 -9.602 -16.239 1.00 0.00 H new ATOM 0 HG3 PRO B 71 6.109 -10.722 -15.323 1.00 0.00 H new ATOM 0 HD2 PRO B 71 8.825 -10.715 -15.113 1.00 0.00 H new ATOM 0 HD3 PRO B 71 7.897 -12.190 -14.931 1.00 0.00 H new ATOM 801 N GLU B 72 7.383 -10.406 -19.981 1.00 0.00 N ATOM 802 CA GLU B 72 7.707 -9.419 -21.004 1.00 0.00 C ATOM 803 C GLU B 72 6.453 -8.987 -21.760 1.00 0.00 C ATOM 804 O GLU B 72 6.087 -7.811 -21.755 1.00 0.00 O ATOM 805 CB GLU B 72 8.736 -9.986 -21.984 1.00 0.00 C ATOM 806 CG GLU B 72 9.735 -8.955 -22.482 1.00 0.00 C ATOM 807 CD GLU B 72 11.138 -9.516 -22.610 1.00 0.00 C ATOM 808 OE1 GLU B 72 11.782 -9.746 -21.566 1.00 0.00 O ATOM 809 OE2 GLU B 72 11.590 -9.725 -23.755 1.00 0.00 O ATOM 0 H GLU B 72 6.459 -10.827 -20.078 1.00 0.00 H new ATOM 0 HA GLU B 72 8.131 -8.546 -20.508 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.277 -10.799 -21.500 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.213 -10.415 -22.839 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.409 -8.577 -23.451 1.00 0.00 H new ATOM 0 HG3 GLU B 72 9.748 -8.107 -21.797 1.00 0.00 H new ATOM 816 N ILE B 73 5.800 -9.946 -22.407 1.00 0.00 N ATOM 817 CA ILE B 73 4.588 -9.666 -23.167 1.00 0.00 C ATOM 818 C ILE B 73 3.590 -8.867 -22.335 1.00 0.00 C ATOM 819 O ILE B 73 3.120 -7.809 -22.755 1.00 0.00 O ATOM 820 CB ILE B 73 3.913 -10.964 -23.649 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.874 -11.767 -24.528 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.633 -10.645 -24.408 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.501 -13.228 -24.651 1.00 0.00 C ATOM 0 H ILE B 73 6.090 -10.924 -22.420 1.00 0.00 H new ATOM 0 HA ILE B 73 4.888 -9.078 -24.034 1.00 0.00 H new ATOM 0 HB ILE B 73 3.655 -11.568 -22.779 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.902 -11.322 -25.523 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.880 -11.690 -24.116 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.167 -11.572 -24.742 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.946 -10.109 -23.753 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.868 -10.025 -25.273 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.225 -13.736 -25.288 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.501 -13.688 -23.663 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.507 -13.314 -25.091 1.00 0.00 H new ATOM 835 N THR B 74 3.273 -9.378 -21.149 1.00 0.00 N ATOM 836 CA THR B 74 2.332 -8.712 -20.257 1.00 0.00 C ATOM 837 C THR B 74 2.678 -7.236 -20.095 1.00 0.00 C ATOM 838 O THR B 74 1.810 -6.369 -20.204 1.00 0.00 O ATOM 839 CB THR B 74 2.309 -9.377 -18.868 1.00 0.00 C ATOM 840 OG1 THR B 74 1.962 -10.761 -18.993 1.00 0.00 O ATOM 841 CG2 THR B 74 1.314 -8.681 -17.951 1.00 0.00 C ATOM 0 H THR B 74 3.654 -10.251 -20.784 1.00 0.00 H new ATOM 0 HA THR B 74 1.346 -8.803 -20.713 1.00 0.00 H new ATOM 0 HB THR B 74 3.304 -9.290 -18.432 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.361 -11.015 -18.262 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.315 -9.168 -16.976 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.597 -7.635 -17.834 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.316 -8.741 -18.385 1.00 0.00 H new ATOM 849 N LEU B 75 3.951 -6.957 -19.836 1.00 0.00 N ATOM 850 CA LEU B 75 4.412 -5.584 -19.660 1.00 0.00 C ATOM 851 C LEU B 75 4.067 -4.733 -20.878 1.00 0.00 C ATOM 852 O LEU B 75 3.498 -3.649 -20.749 1.00 0.00 O ATOM 853 CB LEU B 75 5.922 -5.560 -19.418 1.00 0.00 C ATOM 854 CG LEU B 75 6.405 -6.215 -18.124 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.925 -6.218 -18.062 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.822 -5.498 -16.914 1.00 0.00 C ATOM 0 H LEU B 75 4.682 -7.663 -19.743 1.00 0.00 H new ATOM 0 HA LEU B 75 3.904 -5.165 -18.792 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.412 -6.054 -20.257 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.254 -4.522 -19.422 1.00 0.00 H new ATOM 0 HG LEU B 75 6.059 -7.249 -18.111 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.250 -6.688 -17.134 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.323 -6.775 -18.910 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.293 -5.192 -18.097 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.176 -5.977 -16.001 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.138 -4.455 -16.922 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.734 -5.548 -16.951 1.00 0.00 H new ATOM 868 N ILE B 76 4.412 -5.233 -22.060 1.00 0.00 N ATOM 869 CA ILE B 76 4.136 -4.521 -23.301 1.00 0.00 C ATOM 870 C ILE B 76 2.650 -4.202 -23.432 1.00 0.00 C ATOM 871 O ILE B 76 2.274 -3.086 -23.792 1.00 0.00 O ATOM 872 CB ILE B 76 4.586 -5.333 -24.529 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.056 -5.736 -24.391 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.367 -4.532 -25.803 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.990 -4.559 -24.220 1.00 0.00 C ATOM 0 H ILE B 76 4.883 -6.129 -22.184 1.00 0.00 H new ATOM 0 HA ILE B 76 4.703 -3.591 -23.264 1.00 0.00 H new ATOM 0 HB ILE B 76 3.985 -6.240 -24.586 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.163 -6.402 -23.535 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.354 -6.301 -25.274 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.690 -5.120 -26.662 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.309 -4.292 -25.905 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.945 -3.609 -25.757 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.015 -4.918 -24.128 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.912 -3.903 -25.087 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.718 -4.006 -23.321 1.00 0.00 H new ATOM 887 N ILE B 77 1.811 -5.188 -23.138 1.00 0.00 N ATOM 888 CA ILE B 77 0.366 -5.012 -23.220 1.00 0.00 C ATOM 889 C ILE B 77 -0.118 -3.970 -22.218 1.00 0.00 C ATOM 890 O ILE B 77 -0.852 -3.047 -22.571 1.00 0.00 O ATOM 891 CB ILE B 77 -0.378 -6.336 -22.968 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.038 -7.354 -24.059 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.879 -6.097 -22.908 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.624 -7.009 -25.410 1.00 0.00 C ATOM 0 H ILE B 77 2.106 -6.118 -22.841 1.00 0.00 H new ATOM 0 HA ILE B 77 0.147 -4.669 -24.231 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.055 -6.740 -22.008 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.046 -7.429 -24.150 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.401 -8.336 -23.755 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.391 -7.042 -22.729 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.105 -5.403 -22.098 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.218 -5.674 -23.853 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.343 -7.773 -26.134 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.710 -6.963 -25.334 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.242 -6.042 -25.736 1.00 0.00 H new ATOM 906 N PHE B 78 0.297 -4.124 -20.965 1.00 0.00 N ATOM 907 CA PHE B 78 -0.094 -3.197 -19.910 1.00 0.00 C ATOM 908 C PHE B 78 0.251 -1.760 -20.294 1.00 0.00 C ATOM 909 O PHE B 78 -0.574 -0.857 -20.164 1.00 0.00 O ATOM 910 CB PHE B 78 0.597 -3.565 -18.596 1.00 0.00 C ATOM 911 CG PHE B 78 0.456 -2.516 -17.530 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.625 -2.530 -16.664 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.406 -1.516 -17.394 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.757 -1.566 -15.683 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.279 -0.549 -16.414 1.00 0.00 C ATOM 916 CZ PHE B 78 0.197 -0.575 -15.557 1.00 0.00 C ATOM 0 H PHE B 78 0.904 -4.883 -20.655 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.173 -3.271 -19.778 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.183 -4.504 -18.228 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.656 -3.737 -18.788 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.373 -3.303 -16.757 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.255 -1.492 -18.061 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.605 -1.587 -15.015 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.025 0.226 -16.319 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.097 0.178 -14.789 1.00 0.00 H new ATOM 926 N GLY B 79 1.477 -1.558 -20.767 1.00 0.00 N ATOM 927 CA GLY B 79 1.910 -0.230 -21.161 1.00 0.00 C ATOM 928 C GLY B 79 1.005 0.387 -22.209 1.00 0.00 C ATOM 929 O GLY B 79 0.495 1.493 -22.025 1.00 0.00 O ATOM 0 H GLY B 79 2.178 -2.290 -20.884 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.937 0.415 -20.283 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.927 -0.283 -21.549 1.00 0.00 H new ATOM 933 N VAL B 80 0.806 -0.327 -23.312 1.00 0.00 N ATOM 934 CA VAL B 80 -0.043 0.158 -24.393 1.00 0.00 C ATOM 935 C VAL B 80 -1.481 0.345 -23.922 1.00 0.00 C ATOM 936 O VAL B 80 -2.180 1.252 -24.374 1.00 0.00 O ATOM 937 CB VAL B 80 -0.030 -0.807 -25.593 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.862 -0.249 -26.738 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.398 -1.077 -26.044 1.00 0.00 C ATOM 0 H VAL B 80 1.221 -1.243 -23.480 1.00 0.00 H new ATOM 0 HA VAL B 80 0.362 1.121 -24.705 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.474 -1.752 -25.281 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.840 -0.945 -27.576 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.891 -0.112 -26.407 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.451 0.710 -27.052 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.388 -1.761 -26.893 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.870 -0.140 -26.339 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.960 -1.524 -25.224 1.00 0.00 H new ATOM 949 N MET B 81 -1.916 -0.518 -23.010 1.00 0.00 N ATOM 950 CA MET B 81 -3.270 -0.447 -22.475 1.00 0.00 C ATOM 951 C MET B 81 -3.470 0.834 -21.670 1.00 0.00 C ATOM 952 O MET B 81 -4.470 1.532 -21.836 1.00 0.00 O ATOM 953 CB MET B 81 -3.560 -1.665 -21.596 1.00 0.00 C ATOM 954 CG MET B 81 -3.855 -2.929 -22.388 1.00 0.00 C ATOM 955 SD MET B 81 -5.587 -3.054 -22.875 1.00 0.00 S ATOM 956 CE MET B 81 -5.515 -4.418 -24.035 1.00 0.00 C ATOM 0 H MET B 81 -1.350 -1.275 -22.626 1.00 0.00 H new ATOM 0 HA MET B 81 -3.965 -0.441 -23.315 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.704 -1.845 -20.945 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.410 -1.443 -20.951 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.228 -2.949 -23.280 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.586 -3.799 -21.790 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.513 -4.617 -24.425 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.848 -4.161 -24.858 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.140 -5.307 -23.528 1.00 0.00 H new ATOM 966 N ALA B 82 -2.513 1.135 -20.798 1.00 0.00 N ATOM 967 CA ALA B 82 -2.584 2.332 -19.970 1.00 0.00 C ATOM 968 C ALA B 82 -2.486 3.594 -20.820 1.00 0.00 C ATOM 969 O ALA B 82 -3.251 4.540 -20.635 1.00 0.00 O ATOM 970 CB ALA B 82 -1.483 2.313 -18.920 1.00 0.00 C ATOM 0 H ALA B 82 -1.680 0.566 -20.647 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.551 2.339 -19.467 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.548 3.213 -18.309 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.600 1.434 -18.286 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.511 2.278 -19.412 1.00 0.00 H new ATOM 976 N GLY B 83 -1.538 3.603 -21.752 1.00 0.00 N ATOM 977 CA GLY B 83 -1.357 4.755 -22.616 1.00 0.00 C ATOM 978 C GLY B 83 -2.576 5.035 -23.472 1.00 0.00 C ATOM 979 O GLY B 83 -3.077 6.159 -23.503 1.00 0.00 O ATOM 0 H GLY B 83 -0.892 2.833 -21.924 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.136 5.631 -22.006 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.494 4.589 -23.261 1.00 0.00 H new ATOM 983 N VAL B 84 -3.056 4.010 -24.170 1.00 0.00 N ATOM 984 CA VAL B 84 -4.223 4.152 -25.031 1.00 0.00 C ATOM 985 C VAL B 84 -5.405 4.732 -24.263 1.00 0.00 C ATOM 986 O VAL B 84 -5.953 5.769 -24.639 1.00 0.00 O ATOM 987 CB VAL B 84 -4.637 2.800 -25.643 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.003 2.908 -26.303 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.590 2.324 -26.639 1.00 0.00 C ATOM 0 H VAL B 84 -2.654 3.073 -24.155 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.943 4.835 -25.833 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.705 2.064 -24.842 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.278 1.943 -26.729 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.744 3.201 -25.559 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.967 3.657 -27.094 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.898 1.368 -27.062 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.488 3.058 -27.438 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.633 2.205 -26.132 1.00 0.00 H new ATOM 999 N ILE B 85 -5.793 4.058 -23.186 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.910 4.508 -22.364 1.00 0.00 C ATOM 1001 C ILE B 85 -6.695 5.939 -21.882 1.00 0.00 C ATOM 1002 O ILE B 85 -7.621 6.749 -21.878 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.115 3.592 -21.144 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.365 2.152 -21.595 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.272 4.095 -20.293 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -7.151 1.129 -20.502 1.00 0.00 C ATOM 0 H ILE B 85 -5.350 3.198 -22.862 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.801 4.468 -22.991 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.209 3.610 -20.539 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.387 2.068 -21.964 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -6.704 1.922 -22.431 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.405 3.437 -19.434 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -8.056 5.106 -19.946 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.185 4.103 -20.888 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.346 0.131 -20.894 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -6.122 1.185 -20.148 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -7.831 1.333 -19.675 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.466 6.243 -21.478 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.151 7.577 -21.000 1.00 0.00 C ATOM 1020 C GLY B 86 -5.441 8.646 -22.035 1.00 0.00 C ATOM 1021 O GLY B 86 -6.135 9.624 -21.751 1.00 0.00 O ATOM 0 H GLY B 86 -4.683 5.590 -21.473 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.728 7.782 -20.098 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.098 7.621 -20.722 1.00 0.00 H new ATOM 1025 N THR B 87 -4.909 8.463 -23.239 1.00 0.00 N ATOM 1026 CA THR B 87 -5.111 9.421 -24.318 1.00 0.00 C ATOM 1027 C THR B 87 -6.596 9.629 -24.597 1.00 0.00 C ATOM 1028 O THR B 87 -7.051 10.759 -24.772 1.00 0.00 O ATOM 1029 CB THR B 87 -4.416 8.963 -25.614 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.158 8.354 -25.306 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.199 10.137 -26.556 1.00 0.00 C ATOM 0 H THR B 87 -4.334 7.659 -23.491 1.00 0.00 H new ATOM 0 HA THR B 87 -4.670 10.363 -23.992 1.00 0.00 H new ATOM 0 HB THR B 87 -5.060 8.236 -26.108 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.738 8.830 -24.559 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.707 9.789 -27.464 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.161 10.581 -26.812 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.573 10.884 -26.068 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.344 8.532 -24.637 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.778 8.595 -24.893 1.00 0.00 C ATOM 1041 C ILE B 88 -9.472 9.529 -23.907 1.00 0.00 C ATOM 1042 O ILE B 88 -10.218 10.425 -24.304 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.427 7.202 -24.807 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.790 6.254 -25.825 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.928 7.301 -25.036 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.926 4.793 -25.459 1.00 0.00 C ATOM 0 H ILE B 88 -6.981 7.589 -24.496 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.901 8.982 -25.905 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.257 6.800 -23.808 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.248 6.420 -26.800 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.732 6.498 -25.924 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.372 6.308 -24.972 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.370 7.946 -24.277 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.118 7.721 -26.024 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.452 4.180 -26.226 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.443 4.612 -24.499 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.982 4.532 -25.388 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.220 9.315 -22.621 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.818 10.138 -21.576 1.00 0.00 C ATOM 1060 C LEU B 89 -9.489 11.612 -21.789 1.00 0.00 C ATOM 1061 O LEU B 89 -10.383 12.459 -21.836 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.326 9.688 -20.200 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.941 8.398 -19.656 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.998 7.734 -18.665 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.287 8.680 -19.007 1.00 0.00 C ATOM 0 H LEU B 89 -8.605 8.578 -22.276 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.900 10.015 -21.626 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.245 9.560 -20.247 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.521 10.489 -19.487 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.099 7.714 -20.490 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.452 6.818 -18.288 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.058 7.495 -19.162 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.807 8.413 -17.834 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.709 7.750 -18.626 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.154 9.382 -18.184 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.964 9.110 -19.745 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.202 11.913 -21.921 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.754 13.285 -22.132 1.00 0.00 C ATOM 1079 C LEU B 90 -8.402 13.884 -23.376 1.00 0.00 C ATOM 1080 O LEU B 90 -8.951 14.985 -23.332 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.231 13.330 -22.264 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.437 12.836 -21.055 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.098 12.262 -21.493 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.233 13.963 -20.053 1.00 0.00 C ATOM 0 H LEU B 90 -7.450 11.225 -21.886 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.055 13.877 -21.268 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.944 12.734 -23.130 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.935 14.358 -22.472 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.008 12.044 -20.570 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.547 11.916 -20.619 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.265 11.425 -22.171 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.521 13.033 -22.003 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.666 13.592 -19.199 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.685 14.777 -20.527 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.202 14.328 -19.714 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.336 13.151 -24.482 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.920 13.609 -25.737 1.00 0.00 C ATOM 1098 C ILE B 91 -10.393 13.960 -25.562 1.00 0.00 C ATOM 1099 O ILE B 91 -10.841 15.028 -25.979 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.785 12.544 -26.842 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.312 12.330 -27.197 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.578 12.956 -28.073 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.026 10.970 -27.794 1.00 0.00 C ATOM 0 H ILE B 91 -7.884 12.238 -24.535 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.369 14.501 -26.034 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.190 11.602 -26.471 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.001 13.100 -27.903 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.708 12.458 -26.299 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.473 12.194 -28.845 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.630 13.063 -27.809 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.200 13.907 -28.448 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.963 10.889 -28.021 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.305 10.194 -27.082 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.603 10.846 -28.710 1.00 0.00 H new ATOM 1115 N SER B 92 -11.142 13.054 -24.941 1.00 0.00 N ATOM 1116 CA SER B 92 -12.566 13.267 -24.712 1.00 0.00 C ATOM 1117 C SER B 92 -12.807 14.576 -23.966 1.00 0.00 C ATOM 1118 O SER B 92 -13.855 15.205 -24.116 1.00 0.00 O ATOM 1119 CB SER B 92 -13.157 12.099 -23.920 1.00 0.00 C ATOM 1120 OG SER B 92 -14.541 12.291 -23.685 1.00 0.00 O ATOM 0 H SER B 92 -10.786 12.166 -24.588 1.00 0.00 H new ATOM 0 HA SER B 92 -13.060 13.326 -25.682 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.003 11.169 -24.468 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.634 11.999 -22.969 1.00 0.00 H new ATOM 0 HG SER B 92 -14.895 11.530 -23.179 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.830 14.979 -23.162 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.935 16.212 -22.390 1.00 0.00 C ATOM 1128 C TYR B 93 -11.787 17.434 -23.292 1.00 0.00 C ATOM 1129 O TYR B 93 -12.450 18.451 -23.092 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.871 16.243 -21.292 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.225 17.144 -20.130 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.043 16.694 -19.101 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.741 18.444 -20.062 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.370 17.515 -18.039 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.061 19.271 -19.003 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.877 18.802 -17.994 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.199 19.622 -16.937 1.00 0.00 O ATOM 0 H TYR B 93 -10.956 14.470 -23.028 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.923 16.240 -21.930 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.715 15.230 -20.921 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.926 16.574 -21.723 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.430 15.686 -19.132 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.103 18.815 -20.851 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.009 17.151 -17.248 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.675 20.279 -18.965 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.770 20.495 -17.058 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.912 17.325 -24.287 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.692 18.426 -25.205 1.00 0.00 C ATOM 1149 C GLY B 94 -11.921 18.745 -26.034 1.00 0.00 C ATOM 1150 O GLY B 94 -12.205 19.910 -26.312 1.00 0.00 O ATOM 0 H GLY B 94 -10.352 16.493 -24.473 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.398 19.311 -24.641 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.863 18.181 -25.869 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.650 17.707 -26.430 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.855 17.883 -27.232 1.00 0.00 C ATOM 1156 C ILE B 95 -14.936 18.616 -26.446 1.00 0.00 C ATOM 1157 O ILE B 95 -15.738 19.356 -27.017 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.413 16.530 -27.712 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.368 15.790 -28.549 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.690 16.739 -28.513 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.983 16.518 -29.817 1.00 0.00 C ATOM 0 H ILE B 95 -12.428 16.736 -26.209 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.573 18.479 -28.100 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.649 15.921 -26.840 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.475 15.633 -27.944 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.754 14.804 -28.809 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.073 15.774 -28.846 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.436 17.229 -27.887 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.477 17.364 -29.381 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.239 15.935 -30.360 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.866 16.651 -30.442 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.567 17.493 -29.565 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.951 18.408 -25.134 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.934 19.050 -24.269 1.00 0.00 C ATOM 1175 C ARG B 96 -15.606 20.528 -24.079 1.00 0.00 C ATOM 1176 O ARG B 96 -16.494 21.344 -23.828 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.985 18.349 -22.911 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.131 17.359 -22.779 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.448 17.065 -21.321 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.593 16.170 -21.180 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.851 16.548 -21.384 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.122 17.797 -21.736 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.839 15.675 -21.236 1.00 0.00 N ATOM 0 H ARG B 96 -14.293 17.800 -24.646 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.910 18.970 -24.748 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.043 17.826 -22.746 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.073 19.101 -22.127 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.017 17.759 -23.272 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -16.873 16.432 -23.291 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.577 16.617 -20.844 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.652 18.000 -20.799 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.418 15.202 -20.910 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -19.364 18.470 -21.851 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.088 18.085 -21.892 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.633 14.713 -20.966 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.804 15.966 -21.393 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.326 20.866 -24.199 1.00 0.00 N ATOM 1198 CA ARG B 97 -13.882 22.245 -24.038 1.00 0.00 C ATOM 1199 C ARG B 97 -14.154 22.742 -22.621 1.00 0.00 C ATOM 1200 O ARG B 97 -14.336 23.940 -22.396 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.583 23.151 -25.052 1.00 0.00 C ATOM 1202 CG ARG B 97 -13.747 24.345 -25.483 1.00 0.00 C ATOM 1203 CD ARG B 97 -12.740 23.961 -26.556 1.00 0.00 C ATOM 1204 NE ARG B 97 -13.389 23.635 -27.824 1.00 0.00 N ATOM 1205 CZ ARG B 97 -12.739 23.168 -28.884 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -11.429 22.972 -28.828 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -13.399 22.895 -30.002 1.00 0.00 N ATOM 0 H ARG B 97 -13.579 20.204 -24.407 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.807 22.277 -24.215 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -14.843 22.563 -25.933 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -15.518 23.509 -24.621 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -14.401 25.131 -25.861 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -13.222 24.754 -24.620 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -12.040 24.783 -26.708 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -12.157 23.105 -26.216 1.00 0.00 H new ATOM 0 HE ARG B 97 -14.397 23.774 -27.899 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -10.918 23.180 -27.970 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -10.932 22.613 -29.643 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -14.407 23.044 -30.048 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -12.898 22.536 -30.815 1.00 0.00 H new ATOM 1221 N LEU B 98 -14.181 21.816 -21.670 1.00 0.00 N ATOM 1222 CA LEU B 98 -14.431 22.159 -20.274 1.00 0.00 C ATOM 1223 C LEU B 98 -13.910 21.070 -19.343 1.00 0.00 C ATOM 1224 O LEU B 98 -14.515 20.005 -19.217 1.00 0.00 O ATOM 1225 CB LEU B 98 -15.928 22.372 -20.042 1.00 0.00 C ATOM 1226 CG LEU B 98 -16.318 23.656 -19.309 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -17.829 23.752 -19.167 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -15.647 23.716 -17.944 1.00 0.00 C ATOM 0 H LEU B 98 -14.033 20.821 -21.839 1.00 0.00 H new ATOM 0 HA LEU B 98 -13.899 23.084 -20.052 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -16.430 22.363 -21.009 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -16.312 21.523 -19.476 1.00 0.00 H new ATOM 0 HG LEU B 98 -15.975 24.506 -19.898 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -18.087 24.672 -18.643 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -18.288 23.756 -20.156 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -18.196 22.896 -18.600 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -15.936 24.636 -17.437 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -15.959 22.859 -17.347 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -14.564 23.695 -18.070 1.00 0.00 H new TER 1240 LEU B 98