USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 664 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 46 MET CE :methyl -147:sc= -0.675 (180deg=0) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.0211 K(o=-4.8,f=-5.5) USER MOD Set 1.3: B 121 MET CE :methyl -159:sc= -4.14! (180deg=-2.71) USER MOD Set 2.1: A 81 MET CE :methyl -150:sc= -0.387 (180deg=-1.38!) USER MOD Set 2.2: A 82 MET CE :methyl -110:sc= -12.5! (180deg=-16.2!) USER MOD Set 3.1: A 18 MET CE :methyl 172:sc= -0.928 (180deg=-0.492) USER MOD Set 3.2: A 86 MET CE :methyl -165:sc= -9.59! (180deg=-10.9!) USER MOD Single : A 6 GLN : amide:sc= -1.46! C(o=-1.5!,f=-1.4!) USER MOD Single : A 7 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.17) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0246) USER MOD Single : A 28 MET CE :methyl -159:sc= -0.0401 (180deg=-0.903) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 80:sc= 0.00459 USER MOD Single : A 48 MET CE :methyl -164:sc= -7.67! (180deg=-8.86!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 55 LYS NZ :NH3+ -109:sc= -0.749 (180deg=-3.97!) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.138 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 93:sc= 1.14 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot 67:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.204 2.617 -0.736 1.00 0.00 N ATOM 68 CA GLN A 6 -13.287 2.999 0.334 1.00 0.00 C ATOM 69 C GLN A 6 -11.945 3.465 -0.230 1.00 0.00 C ATOM 70 O GLN A 6 -11.239 4.254 0.398 1.00 0.00 O ATOM 71 CB GLN A 6 -13.073 1.827 1.295 1.00 0.00 C ATOM 72 CG GLN A 6 -12.866 0.494 0.596 1.00 0.00 C ATOM 73 CD GLN A 6 -12.306 -0.568 1.523 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.779 -0.740 2.646 1.00 0.00 O ATOM 75 NE2 GLN A 6 -11.292 -1.286 1.055 1.00 0.00 N ATOM 0 HA GLN A 6 -13.735 3.830 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.207 2.037 1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.935 1.750 1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.816 0.150 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.188 0.631 -0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.932 -1.109 0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.873 -2.015 1.633 1.00 0.00 H new ATOM 84 N GLN A 7 -11.603 2.978 -1.420 1.00 0.00 N ATOM 85 CA GLN A 7 -10.348 3.358 -2.066 1.00 0.00 C ATOM 86 C GLN A 7 -10.314 4.853 -2.328 1.00 0.00 C ATOM 87 O GLN A 7 -9.259 5.485 -2.271 1.00 0.00 O ATOM 88 CB GLN A 7 -10.155 2.618 -3.395 1.00 0.00 C ATOM 89 CG GLN A 7 -11.446 2.333 -4.148 1.00 0.00 C ATOM 90 CD GLN A 7 -11.920 0.899 -3.987 1.00 0.00 C ATOM 91 OE1 GLN A 7 -12.550 0.341 -4.887 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.624 0.291 -2.841 1.00 0.00 N ATOM 0 H GLN A 7 -12.173 2.323 -1.955 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.541 3.083 -1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.499 3.209 -4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.646 1.674 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.224 3.009 -3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.297 2.544 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.100 0.788 -2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.921 -0.672 -2.683 1.00 0.00 H new ATOM 101 N ALA A 8 -11.478 5.409 -2.626 1.00 0.00 N ATOM 102 CA ALA A 8 -11.592 6.827 -2.911 1.00 0.00 C ATOM 103 C ALA A 8 -11.407 7.651 -1.643 1.00 0.00 C ATOM 104 O ALA A 8 -10.576 8.559 -1.597 1.00 0.00 O ATOM 105 CB ALA A 8 -12.937 7.124 -3.555 1.00 0.00 C ATOM 0 H ALA A 8 -12.358 4.896 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.802 7.105 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.012 8.191 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.026 6.564 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.738 6.830 -2.877 1.00 0.00 H new ATOM 111 N GLU A 9 -12.178 7.322 -0.610 1.00 0.00 N ATOM 112 CA GLU A 9 -12.087 8.025 0.662 1.00 0.00 C ATOM 113 C GLU A 9 -10.665 7.943 1.201 1.00 0.00 C ATOM 114 O GLU A 9 -10.162 8.883 1.813 1.00 0.00 O ATOM 115 CB GLU A 9 -13.068 7.430 1.675 1.00 0.00 C ATOM 116 CG GLU A 9 -14.447 7.157 1.096 1.00 0.00 C ATOM 117 CD GLU A 9 -15.496 6.947 2.170 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.463 5.890 2.834 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.351 7.841 2.346 1.00 0.00 O ATOM 0 H GLU A 9 -12.871 6.574 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.347 9.071 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.656 6.499 2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.166 8.113 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.743 7.993 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.402 6.274 0.459 1.00 0.00 H new ATOM 126 N ALA A 10 -10.022 6.807 0.950 1.00 0.00 N ATOM 127 CA ALA A 10 -8.652 6.577 1.384 1.00 0.00 C ATOM 128 C ALA A 10 -7.749 7.743 0.993 1.00 0.00 C ATOM 129 O ALA A 10 -7.114 8.366 1.844 1.00 0.00 O ATOM 130 CB ALA A 10 -8.138 5.287 0.774 1.00 0.00 C ATOM 0 H ALA A 10 -10.435 6.025 0.442 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.640 6.496 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.112 5.114 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.765 4.456 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.167 5.362 -0.313 1.00 0.00 H new ATOM 136 N ARG A 11 -7.702 8.033 -0.305 1.00 0.00 N ATOM 137 CA ARG A 11 -6.884 9.126 -0.818 1.00 0.00 C ATOM 138 C ARG A 11 -7.192 10.427 -0.081 1.00 0.00 C ATOM 139 O ARG A 11 -6.345 11.314 0.014 1.00 0.00 O ATOM 140 CB ARG A 11 -7.124 9.306 -2.318 1.00 0.00 C ATOM 141 CG ARG A 11 -5.868 9.664 -3.098 1.00 0.00 C ATOM 142 CD ARG A 11 -5.817 8.949 -4.439 1.00 0.00 C ATOM 143 NE ARG A 11 -5.848 9.886 -5.560 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.564 9.548 -6.817 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.232 8.299 -7.116 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.616 10.463 -7.776 1.00 0.00 N ATOM 0 H ARG A 11 -8.222 7.525 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.836 8.875 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.543 8.385 -2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.869 10.088 -2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.834 10.742 -3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.988 9.401 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.910 8.347 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.660 8.263 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.102 10.855 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.193 7.592 -6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.016 8.046 -8.080 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.873 11.424 -7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.399 10.206 -8.739 1.00 0.00 H new ATOM 160 N ALA A 12 -8.411 10.529 0.438 1.00 0.00 N ATOM 161 CA ALA A 12 -8.837 11.716 1.168 1.00 0.00 C ATOM 162 C ALA A 12 -8.620 11.550 2.670 1.00 0.00 C ATOM 163 O ALA A 12 -8.560 12.534 3.407 1.00 0.00 O ATOM 164 CB ALA A 12 -10.298 12.017 0.874 1.00 0.00 C ATOM 0 H ALA A 12 -9.122 9.802 0.366 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.228 12.555 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.604 12.906 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.426 12.191 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.913 11.170 1.180 1.00 0.00 H new ATOM 170 N PHE A 13 -8.507 10.302 3.121 1.00 0.00 N ATOM 171 CA PHE A 13 -8.300 10.022 4.537 1.00 0.00 C ATOM 172 C PHE A 13 -6.869 10.341 4.954 1.00 0.00 C ATOM 173 O PHE A 13 -6.605 10.655 6.115 1.00 0.00 O ATOM 174 CB PHE A 13 -8.617 8.556 4.840 1.00 0.00 C ATOM 175 CG PHE A 13 -8.638 8.240 6.309 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.609 8.786 7.134 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.687 7.400 6.864 1.00 0.00 C ATOM 178 CE1 PHE A 13 -9.631 8.498 8.485 1.00 0.00 C ATOM 179 CE2 PHE A 13 -7.704 7.108 8.215 1.00 0.00 C ATOM 180 CZ PHE A 13 -8.677 7.659 9.026 1.00 0.00 C ATOM 0 H PHE A 13 -8.555 9.473 2.528 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.975 10.659 5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.586 8.305 4.408 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.876 7.923 4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.357 9.444 6.716 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.923 6.968 6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.393 8.929 9.117 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.958 6.450 8.636 1.00 0.00 H new ATOM 0 HZ PHE A 13 -8.692 7.434 10.082 1.00 0.00 H new ATOM 190 N LEU A 14 -5.947 10.259 4.001 1.00 0.00 N ATOM 191 CA LEU A 14 -4.541 10.538 4.272 1.00 0.00 C ATOM 192 C LEU A 14 -4.120 11.867 3.655 1.00 0.00 C ATOM 193 O LEU A 14 -4.840 12.441 2.839 1.00 0.00 O ATOM 194 CB LEU A 14 -3.664 9.410 3.727 1.00 0.00 C ATOM 195 CG LEU A 14 -4.168 8.000 4.033 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.485 6.982 3.135 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.937 7.663 5.497 1.00 0.00 C ATOM 0 H LEU A 14 -6.147 10.002 3.035 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.411 10.603 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.580 9.524 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.660 9.519 4.138 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.239 7.964 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.857 5.984 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.699 7.215 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.408 7.016 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.301 6.656 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.871 7.715 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.473 8.376 6.123 1.00 0.00 H new ATOM 209 N SER A 15 -2.948 12.349 4.052 1.00 0.00 N ATOM 210 CA SER A 15 -2.426 13.608 3.537 1.00 0.00 C ATOM 211 C SER A 15 -1.677 13.385 2.230 1.00 0.00 C ATOM 212 O SER A 15 -1.290 12.261 1.912 1.00 0.00 O ATOM 213 CB SER A 15 -1.490 14.254 4.562 1.00 0.00 C ATOM 214 OG SER A 15 -1.619 15.665 4.553 1.00 0.00 O ATOM 0 H SER A 15 -2.341 11.886 4.729 1.00 0.00 H new ATOM 0 HA SER A 15 -3.269 14.274 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.716 13.871 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.459 13.979 4.341 1.00 0.00 H new ATOM 0 HG SER A 15 -1.012 16.053 5.217 1.00 0.00 H new ATOM 220 N GLU A 16 -1.463 14.462 1.478 1.00 0.00 N ATOM 221 CA GLU A 16 -0.743 14.372 0.212 1.00 0.00 C ATOM 222 C GLU A 16 0.571 13.619 0.405 1.00 0.00 C ATOM 223 O GLU A 16 1.086 12.992 -0.520 1.00 0.00 O ATOM 224 CB GLU A 16 -0.470 15.769 -0.348 1.00 0.00 C ATOM 225 CG GLU A 16 -1.705 16.449 -0.913 1.00 0.00 C ATOM 226 CD GLU A 16 -2.543 17.120 0.158 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.970 17.535 1.186 1.00 0.00 O ATOM 228 OE2 GLU A 16 -3.773 17.229 -0.032 1.00 0.00 O ATOM 0 H GLU A 16 -1.776 15.402 1.722 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.362 13.826 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.051 16.393 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.285 15.696 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.401 17.192 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.314 15.712 -1.437 1.00 0.00 H new ATOM 235 N GLU A 17 1.099 13.684 1.625 1.00 0.00 N ATOM 236 CA GLU A 17 2.343 13.009 1.966 1.00 0.00 C ATOM 237 C GLU A 17 2.221 11.505 1.744 1.00 0.00 C ATOM 238 O GLU A 17 2.955 10.922 0.948 1.00 0.00 O ATOM 239 CB GLU A 17 2.707 13.295 3.424 1.00 0.00 C ATOM 240 CG GLU A 17 3.678 14.451 3.594 1.00 0.00 C ATOM 241 CD GLU A 17 5.114 13.989 3.743 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.742 13.658 2.715 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.611 13.958 4.889 1.00 0.00 O ATOM 0 H GLU A 17 0.679 14.202 2.397 1.00 0.00 H new ATOM 0 HA GLU A 17 3.132 13.389 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.796 13.512 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.143 12.398 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.601 15.115 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.395 15.033 4.471 1.00 0.00 H new ATOM 250 N MET A 18 1.281 10.882 2.452 1.00 0.00 N ATOM 251 CA MET A 18 1.057 9.444 2.333 1.00 0.00 C ATOM 252 C MET A 18 0.845 9.041 0.874 1.00 0.00 C ATOM 253 O MET A 18 1.080 7.893 0.501 1.00 0.00 O ATOM 254 CB MET A 18 -0.152 9.026 3.174 1.00 0.00 C ATOM 255 CG MET A 18 0.088 7.783 4.020 1.00 0.00 C ATOM 256 SD MET A 18 1.281 8.059 5.345 1.00 0.00 S ATOM 257 CE MET A 18 0.714 6.877 6.569 1.00 0.00 C ATOM 0 H MET A 18 0.663 11.351 3.114 1.00 0.00 H new ATOM 0 HA MET A 18 1.944 8.931 2.704 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.430 9.852 3.829 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.999 8.845 2.512 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.858 7.454 4.451 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.444 6.976 3.379 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.433 6.827 7.387 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.255 7.191 6.956 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.619 5.894 6.109 1.00 0.00 H new ATOM 267 N ILE A 19 0.403 9.993 0.056 1.00 0.00 N ATOM 268 CA ILE A 19 0.164 9.735 -1.358 1.00 0.00 C ATOM 269 C ILE A 19 1.472 9.773 -2.143 1.00 0.00 C ATOM 270 O ILE A 19 1.896 8.768 -2.713 1.00 0.00 O ATOM 271 CB ILE A 19 -0.823 10.763 -1.954 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.232 10.514 -1.414 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.812 10.705 -3.477 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.238 11.554 -1.854 1.00 0.00 C ATOM 0 H ILE A 19 0.204 10.949 0.350 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.274 8.740 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.506 11.762 -1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.570 9.531 -1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.197 10.492 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.515 11.438 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.190 10.928 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.104 9.707 -3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.215 11.315 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.923 12.537 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.302 11.561 -2.942 1.00 0.00 H new ATOM 286 N ALA A 20 2.104 10.941 -2.165 1.00 0.00 N ATOM 287 CA ALA A 20 3.364 11.118 -2.875 1.00 0.00 C ATOM 288 C ALA A 20 4.369 10.041 -2.481 1.00 0.00 C ATOM 289 O ALA A 20 5.252 9.685 -3.261 1.00 0.00 O ATOM 290 CB ALA A 20 3.920 12.503 -2.596 1.00 0.00 C ATOM 0 H ALA A 20 1.763 11.781 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 20 3.179 11.021 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.862 12.631 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.207 13.256 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.090 12.618 -1.526 1.00 0.00 H new ATOM 296 N GLU A 21 4.216 9.518 -1.270 1.00 0.00 N ATOM 297 CA GLU A 21 5.093 8.470 -0.769 1.00 0.00 C ATOM 298 C GLU A 21 4.543 7.100 -1.153 1.00 0.00 C ATOM 299 O GLU A 21 5.296 6.140 -1.320 1.00 0.00 O ATOM 300 CB GLU A 21 5.236 8.578 0.750 1.00 0.00 C ATOM 301 CG GLU A 21 5.837 9.894 1.213 1.00 0.00 C ATOM 302 CD GLU A 21 6.716 9.737 2.439 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.796 8.611 2.974 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.325 10.741 2.864 1.00 0.00 O ATOM 0 H GLU A 21 3.489 9.805 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 21 6.078 8.592 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.255 8.455 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.859 7.758 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.425 10.325 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.034 10.597 1.434 1.00 0.00 H new ATOM 311 N PHE A 22 3.223 7.023 -1.306 1.00 0.00 N ATOM 312 CA PHE A 22 2.564 5.781 -1.686 1.00 0.00 C ATOM 313 C PHE A 22 3.010 5.356 -3.079 1.00 0.00 C ATOM 314 O PHE A 22 3.285 4.183 -3.328 1.00 0.00 O ATOM 315 CB PHE A 22 1.044 5.956 -1.657 1.00 0.00 C ATOM 316 CG PHE A 22 0.372 5.173 -0.568 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.702 3.848 -0.347 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.592 5.763 0.232 1.00 0.00 C ATOM 319 CE1 PHE A 22 0.085 3.122 0.652 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.214 5.044 1.234 1.00 0.00 C ATOM 321 CZ PHE A 22 -0.875 3.722 1.444 1.00 0.00 C ATOM 0 H PHE A 22 2.589 7.811 -1.172 1.00 0.00 H new ATOM 0 HA PHE A 22 2.843 5.007 -0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.810 7.013 -1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.633 5.651 -2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.452 3.375 -0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.860 6.797 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.352 2.088 0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.964 5.515 1.852 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.360 3.157 2.227 1.00 0.00 H new ATOM 331 N LYS A 23 3.084 6.328 -3.981 1.00 0.00 N ATOM 332 CA LYS A 23 3.504 6.074 -5.351 1.00 0.00 C ATOM 333 C LYS A 23 4.988 5.713 -5.407 1.00 0.00 C ATOM 334 O LYS A 23 5.478 5.210 -6.417 1.00 0.00 O ATOM 335 CB LYS A 23 3.230 7.302 -6.221 1.00 0.00 C ATOM 336 CG LYS A 23 3.514 7.075 -7.696 1.00 0.00 C ATOM 337 CD LYS A 23 4.889 7.592 -8.085 1.00 0.00 C ATOM 338 CE LYS A 23 4.867 8.258 -9.452 1.00 0.00 C ATOM 339 NZ LYS A 23 4.483 7.304 -10.529 1.00 0.00 N ATOM 0 H LYS A 23 2.857 7.303 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 23 2.931 5.230 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.188 7.597 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.839 8.133 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.448 6.010 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.753 7.575 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.236 8.305 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.601 6.766 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.165 9.092 -9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.851 8.674 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.562 7.774 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.116 6.480 -10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.502 6.991 -10.382 1.00 0.00 H new ATOM 353 N ALA A 24 5.698 5.980 -4.312 1.00 0.00 N ATOM 354 CA ALA A 24 7.125 5.692 -4.227 1.00 0.00 C ATOM 355 C ALA A 24 7.451 4.273 -4.686 1.00 0.00 C ATOM 356 O ALA A 24 8.088 4.076 -5.720 1.00 0.00 O ATOM 357 CB ALA A 24 7.615 5.906 -2.802 1.00 0.00 C ATOM 0 H ALA A 24 5.304 6.397 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 24 7.640 6.379 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.682 5.689 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.440 6.941 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.075 5.242 -2.128 1.00 0.00 H new ATOM 363 N ALA A 25 7.022 3.288 -3.903 1.00 0.00 N ATOM 364 CA ALA A 25 7.282 1.889 -4.221 1.00 0.00 C ATOM 365 C ALA A 25 6.301 1.341 -5.257 1.00 0.00 C ATOM 366 O ALA A 25 6.410 0.187 -5.670 1.00 0.00 O ATOM 367 CB ALA A 25 7.233 1.050 -2.953 1.00 0.00 C ATOM 0 H ALA A 25 6.493 3.433 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 25 8.279 1.831 -4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.428 0.006 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.989 1.405 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.247 1.137 -2.497 1.00 0.00 H new ATOM 373 N PHE A 26 5.345 2.167 -5.676 1.00 0.00 N ATOM 374 CA PHE A 26 4.354 1.745 -6.663 1.00 0.00 C ATOM 375 C PHE A 26 5.023 1.192 -7.919 1.00 0.00 C ATOM 376 O PHE A 26 4.432 0.394 -8.647 1.00 0.00 O ATOM 377 CB PHE A 26 3.441 2.914 -7.032 1.00 0.00 C ATOM 378 CG PHE A 26 2.283 2.518 -7.904 1.00 0.00 C ATOM 379 CD1 PHE A 26 2.477 2.220 -9.243 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.001 2.442 -7.381 1.00 0.00 C ATOM 381 CE1 PHE A 26 1.413 1.853 -10.046 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.066 2.075 -8.180 1.00 0.00 C ATOM 383 CZ PHE A 26 0.141 1.781 -9.514 1.00 0.00 C ATOM 0 H PHE A 26 5.236 3.127 -5.350 1.00 0.00 H new ATOM 0 HA PHE A 26 3.757 0.950 -6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.059 3.369 -6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.028 3.675 -7.545 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.470 2.275 -9.664 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.834 2.672 -6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.577 1.623 -11.088 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.060 2.018 -7.762 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.691 1.495 -10.140 1.00 0.00 H new ATOM 393 N ASP A 27 6.258 1.618 -8.170 1.00 0.00 N ATOM 394 CA ASP A 27 6.999 1.161 -9.341 1.00 0.00 C ATOM 395 C ASP A 27 7.676 -0.179 -9.070 1.00 0.00 C ATOM 396 O ASP A 27 7.385 -1.177 -9.730 1.00 0.00 O ATOM 397 CB ASP A 27 8.045 2.201 -9.746 1.00 0.00 C ATOM 398 CG ASP A 27 8.502 2.033 -11.182 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.760 1.413 -11.973 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.604 2.520 -11.515 1.00 0.00 O ATOM 0 H ASP A 27 6.765 2.277 -7.580 1.00 0.00 H new ATOM 0 HA ASP A 27 6.290 1.030 -10.159 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.630 3.200 -9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.906 2.124 -9.082 1.00 0.00 H new ATOM 405 N MET A 28 8.580 -0.195 -8.095 1.00 0.00 N ATOM 406 CA MET A 28 9.300 -1.413 -7.737 1.00 0.00 C ATOM 407 C MET A 28 8.331 -2.549 -7.417 1.00 0.00 C ATOM 408 O MET A 28 8.659 -3.724 -7.582 1.00 0.00 O ATOM 409 CB MET A 28 10.213 -1.156 -6.536 1.00 0.00 C ATOM 410 CG MET A 28 11.197 -0.018 -6.754 1.00 0.00 C ATOM 411 SD MET A 28 12.790 -0.587 -7.378 1.00 0.00 S ATOM 412 CE MET A 28 13.894 0.609 -6.631 1.00 0.00 C ATOM 0 H MET A 28 8.832 0.622 -7.538 1.00 0.00 H new ATOM 0 HA MET A 28 9.907 -1.708 -8.593 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.598 -0.932 -5.664 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.768 -2.067 -6.310 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.770 0.697 -7.458 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.348 0.512 -5.813 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.830 0.638 -7.189 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.429 1.595 -6.650 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.096 0.323 -5.599 1.00 0.00 H new ATOM 422 N PHE A 29 7.135 -2.189 -6.962 1.00 0.00 N ATOM 423 CA PHE A 29 6.115 -3.174 -6.621 1.00 0.00 C ATOM 424 C PHE A 29 5.792 -4.062 -7.817 1.00 0.00 C ATOM 425 O PHE A 29 6.203 -5.221 -7.875 1.00 0.00 O ATOM 426 CB PHE A 29 4.843 -2.471 -6.141 1.00 0.00 C ATOM 427 CG PHE A 29 4.781 -2.288 -4.652 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.960 -3.365 -3.801 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.542 -1.039 -4.106 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.902 -3.200 -2.432 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.483 -0.867 -2.736 1.00 0.00 C ATOM 432 CZ PHE A 29 4.663 -1.949 -1.899 1.00 0.00 C ATOM 0 H PHE A 29 6.848 -1.220 -6.821 1.00 0.00 H new ATOM 0 HA PHE A 29 6.506 -3.802 -5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.774 -1.495 -6.621 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.976 -3.047 -6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.147 -4.346 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.400 -0.189 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.043 -4.048 -1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.296 0.113 -2.321 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.617 -1.817 -0.828 1.00 0.00 H new ATOM 442 N ASP A 30 5.048 -3.508 -8.771 1.00 0.00 N ATOM 443 CA ASP A 30 4.661 -4.244 -9.968 1.00 0.00 C ATOM 444 C ASP A 30 5.882 -4.791 -10.696 1.00 0.00 C ATOM 445 O ASP A 30 6.752 -4.035 -11.130 1.00 0.00 O ATOM 446 CB ASP A 30 3.857 -3.344 -10.906 1.00 0.00 C ATOM 447 CG ASP A 30 2.418 -3.179 -10.457 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.849 -4.154 -9.922 1.00 0.00 O ATOM 449 OD2 ASP A 30 1.861 -2.077 -10.639 1.00 0.00 O ATOM 0 H ASP A 30 4.701 -2.549 -8.737 1.00 0.00 H new ATOM 0 HA ASP A 30 4.041 -5.085 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.332 -2.365 -10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.875 -3.764 -11.912 1.00 0.00 H new ATOM 454 N ALA A 31 5.933 -6.109 -10.830 1.00 0.00 N ATOM 455 CA ALA A 31 7.041 -6.768 -11.511 1.00 0.00 C ATOM 456 C ALA A 31 6.778 -6.862 -13.008 1.00 0.00 C ATOM 457 O ALA A 31 7.609 -6.464 -13.823 1.00 0.00 O ATOM 458 CB ALA A 31 7.269 -8.153 -10.925 1.00 0.00 C ATOM 0 H ALA A 31 5.219 -6.745 -10.476 1.00 0.00 H new ATOM 0 HA ALA A 31 7.940 -6.170 -11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.099 -8.635 -11.442 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.504 -8.065 -9.864 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.367 -8.753 -11.048 1.00 0.00 H new ATOM 464 N ASP A 32 5.611 -7.391 -13.363 1.00 0.00 N ATOM 465 CA ASP A 32 5.230 -7.536 -14.763 1.00 0.00 C ATOM 466 C ASP A 32 4.651 -6.232 -15.304 1.00 0.00 C ATOM 467 O ASP A 32 4.738 -5.950 -16.499 1.00 0.00 O ATOM 468 CB ASP A 32 4.210 -8.664 -14.921 1.00 0.00 C ATOM 469 CG ASP A 32 2.973 -8.448 -14.073 1.00 0.00 C ATOM 470 OD1 ASP A 32 3.112 -7.948 -12.936 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.864 -8.779 -14.542 1.00 0.00 O ATOM 0 H ASP A 32 4.913 -7.726 -12.700 1.00 0.00 H new ATOM 0 HA ASP A 32 6.124 -7.782 -15.335 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.920 -8.743 -15.969 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.674 -9.611 -14.646 1.00 0.00 H new ATOM 497 N ASP A 36 -1.452 -6.094 -10.326 1.00 0.00 N ATOM 498 CA ASP A 36 -1.530 -5.414 -9.038 1.00 0.00 C ATOM 499 C ASP A 36 -0.485 -5.962 -8.071 1.00 0.00 C ATOM 500 O ASP A 36 0.360 -6.773 -8.449 1.00 0.00 O ATOM 501 CB ASP A 36 -2.929 -5.571 -8.440 1.00 0.00 C ATOM 502 CG ASP A 36 -3.887 -4.503 -8.929 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.412 -3.438 -9.374 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.114 -4.733 -8.868 1.00 0.00 O ATOM 0 HA ASP A 36 -1.329 -4.355 -9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.323 -6.554 -8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.864 -5.527 -7.353 1.00 0.00 H new ATOM 509 N ILE A 37 -0.549 -5.512 -6.823 1.00 0.00 N ATOM 510 CA ILE A 37 0.390 -5.953 -5.801 1.00 0.00 C ATOM 511 C ILE A 37 -0.171 -7.130 -5.007 1.00 0.00 C ATOM 512 O ILE A 37 -1.239 -7.035 -4.402 1.00 0.00 O ATOM 513 CB ILE A 37 0.735 -4.799 -4.836 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.448 -3.679 -5.590 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.591 -5.295 -3.679 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.798 -2.492 -4.720 1.00 0.00 C ATOM 0 H ILE A 37 -1.243 -4.841 -6.495 1.00 0.00 H new ATOM 0 HA ILE A 37 1.298 -6.275 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.194 -4.407 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.361 -4.075 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.814 -3.343 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.821 -4.463 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.048 -6.062 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.519 -5.716 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.302 -1.736 -5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.887 -2.070 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.458 -2.813 -3.914 1.00 0.00 H new ATOM 528 N SER A 38 0.564 -8.239 -5.011 1.00 0.00 N ATOM 529 CA SER A 38 0.150 -9.436 -4.291 1.00 0.00 C ATOM 530 C SER A 38 1.008 -9.638 -3.044 1.00 0.00 C ATOM 531 O SER A 38 1.702 -8.722 -2.604 1.00 0.00 O ATOM 532 CB SER A 38 0.250 -10.663 -5.201 1.00 0.00 C ATOM 533 OG SER A 38 1.589 -11.113 -5.305 1.00 0.00 O ATOM 0 H SER A 38 1.451 -8.332 -5.506 1.00 0.00 H new ATOM 0 HA SER A 38 -0.887 -9.308 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.376 -11.464 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.132 -10.417 -6.192 1.00 0.00 H new ATOM 0 HG SER A 38 1.626 -11.898 -5.890 1.00 0.00 H new ATOM 539 N THR A 39 0.957 -10.840 -2.478 1.00 0.00 N ATOM 540 CA THR A 39 1.731 -11.155 -1.282 1.00 0.00 C ATOM 541 C THR A 39 3.225 -11.181 -1.587 1.00 0.00 C ATOM 542 O THR A 39 4.050 -10.879 -0.724 1.00 0.00 O ATOM 543 CB THR A 39 1.294 -12.503 -0.706 1.00 0.00 C ATOM 544 OG1 THR A 39 1.476 -13.537 -1.657 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.155 -12.528 -0.272 1.00 0.00 C ATOM 0 H THR A 39 0.388 -11.611 -2.828 1.00 0.00 H new ATOM 0 HA THR A 39 1.544 -10.374 -0.545 1.00 0.00 H new ATOM 0 HB THR A 39 1.921 -12.658 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.193 -14.391 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.399 -13.513 0.127 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.317 -11.774 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.795 -12.315 -1.128 1.00 0.00 H new ATOM 553 N LYS A 40 3.568 -11.547 -2.818 1.00 0.00 N ATOM 554 CA LYS A 40 4.965 -11.614 -3.233 1.00 0.00 C ATOM 555 C LYS A 40 5.511 -10.225 -3.549 1.00 0.00 C ATOM 556 O LYS A 40 6.648 -9.902 -3.206 1.00 0.00 O ATOM 557 CB LYS A 40 5.110 -12.525 -4.455 1.00 0.00 C ATOM 558 CG LYS A 40 5.663 -13.902 -4.124 1.00 0.00 C ATOM 559 CD LYS A 40 7.068 -13.812 -3.550 1.00 0.00 C ATOM 560 CE LYS A 40 7.855 -15.088 -3.803 1.00 0.00 C ATOM 561 NZ LYS A 40 8.758 -15.418 -2.666 1.00 0.00 N ATOM 0 H LYS A 40 2.899 -11.801 -3.545 1.00 0.00 H new ATOM 0 HA LYS A 40 5.544 -12.028 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.136 -12.638 -4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.766 -12.044 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.007 -14.397 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.675 -14.517 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.591 -12.966 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.013 -13.624 -2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.164 -15.914 -3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.444 -14.977 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.277 -16.294 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.435 -14.641 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.194 -15.549 -1.802 1.00 0.00 H new ATOM 575 N GLU A 41 4.694 -9.408 -4.207 1.00 0.00 N ATOM 576 CA GLU A 41 5.097 -8.055 -4.571 1.00 0.00 C ATOM 577 C GLU A 41 5.365 -7.206 -3.332 1.00 0.00 C ATOM 578 O GLU A 41 6.119 -6.234 -3.387 1.00 0.00 O ATOM 579 CB GLU A 41 4.019 -7.393 -5.431 1.00 0.00 C ATOM 580 CG GLU A 41 3.824 -8.061 -6.782 1.00 0.00 C ATOM 581 CD GLU A 41 3.752 -7.064 -7.922 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.907 -6.147 -7.857 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.542 -7.200 -8.881 1.00 0.00 O ATOM 0 H GLU A 41 3.750 -9.660 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 41 6.021 -8.125 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.074 -7.407 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.282 -6.347 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.646 -8.754 -6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.908 -8.651 -6.762 1.00 0.00 H new ATOM 590 N LEU A 42 4.742 -7.573 -2.216 1.00 0.00 N ATOM 591 CA LEU A 42 4.917 -6.836 -0.970 1.00 0.00 C ATOM 592 C LEU A 42 6.219 -7.224 -0.277 1.00 0.00 C ATOM 593 O LEU A 42 7.019 -6.362 0.089 1.00 0.00 O ATOM 594 CB LEU A 42 3.730 -7.077 -0.036 1.00 0.00 C ATOM 595 CG LEU A 42 3.072 -5.806 0.506 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.108 -4.912 1.172 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.361 -5.059 -0.612 1.00 0.00 C ATOM 0 H LEU A 42 4.114 -8.374 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 42 4.966 -5.775 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.979 -7.659 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.065 -7.683 0.806 1.00 0.00 H new ATOM 0 HG LEU A 42 2.333 -6.091 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.623 -4.013 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.575 -5.449 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.870 -4.633 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.898 -4.158 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.082 -4.785 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.593 -5.699 -1.046 1.00 0.00 H new ATOM 609 N GLY A 43 6.429 -8.524 -0.102 1.00 0.00 N ATOM 610 CA GLY A 43 7.639 -8.997 0.546 1.00 0.00 C ATOM 611 C GLY A 43 8.900 -8.535 -0.163 1.00 0.00 C ATOM 612 O GLY A 43 9.979 -8.522 0.426 1.00 0.00 O ATOM 0 H GLY A 43 5.785 -9.258 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.656 -8.644 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.625 -10.086 0.582 1.00 0.00 H new ATOM 616 N THR A 44 8.762 -8.158 -1.430 1.00 0.00 N ATOM 617 CA THR A 44 9.898 -7.698 -2.221 1.00 0.00 C ATOM 618 C THR A 44 10.461 -6.386 -1.672 1.00 0.00 C ATOM 619 O THR A 44 11.486 -6.372 -0.991 1.00 0.00 O ATOM 620 CB THR A 44 9.476 -7.520 -3.689 1.00 0.00 C ATOM 621 OG1 THR A 44 9.521 -8.758 -4.374 1.00 0.00 O ATOM 622 CG2 THR A 44 10.336 -6.537 -4.462 1.00 0.00 C ATOM 0 H THR A 44 7.874 -8.162 -1.931 1.00 0.00 H new ATOM 0 HA THR A 44 10.683 -8.452 -2.160 1.00 0.00 H new ATOM 0 HB THR A 44 8.462 -7.122 -3.644 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.714 -9.275 -4.169 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.975 -6.467 -5.488 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.281 -5.556 -3.990 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.370 -6.881 -4.464 1.00 0.00 H new ATOM 630 N VAL A 45 9.788 -5.291 -1.995 1.00 0.00 N ATOM 631 CA VAL A 45 10.211 -3.965 -1.567 1.00 0.00 C ATOM 632 C VAL A 45 10.342 -3.864 -0.049 1.00 0.00 C ATOM 633 O VAL A 45 11.254 -3.212 0.458 1.00 0.00 O ATOM 634 CB VAL A 45 9.225 -2.891 -2.073 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.799 -3.262 -1.703 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.584 -1.518 -1.530 1.00 0.00 C ATOM 0 H VAL A 45 8.938 -5.296 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 45 11.196 -3.792 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 45 9.299 -2.848 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.117 -2.494 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.543 -4.220 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.713 -3.339 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.872 -0.782 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.549 -1.537 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.589 -1.249 -1.856 1.00 0.00 H new ATOM 646 N MET A 46 9.428 -4.496 0.676 1.00 0.00 N ATOM 647 CA MET A 46 9.458 -4.448 2.134 1.00 0.00 C ATOM 648 C MET A 46 10.700 -5.136 2.694 1.00 0.00 C ATOM 649 O MET A 46 11.135 -4.833 3.804 1.00 0.00 O ATOM 650 CB MET A 46 8.195 -5.084 2.719 1.00 0.00 C ATOM 651 CG MET A 46 7.020 -4.122 2.809 1.00 0.00 C ATOM 652 SD MET A 46 7.389 -2.664 3.804 1.00 0.00 S ATOM 653 CE MET A 46 5.815 -2.395 4.611 1.00 0.00 C ATOM 0 H MET A 46 8.662 -5.044 0.284 1.00 0.00 H new ATOM 0 HA MET A 46 9.495 -3.398 2.426 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.909 -5.938 2.105 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.418 -5.468 3.715 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.734 -3.809 1.805 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.162 -4.641 3.237 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.661 -1.326 4.761 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.014 -2.793 3.988 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.810 -2.901 5.576 1.00 0.00 H new ATOM 663 N ARG A 47 11.268 -6.063 1.928 1.00 0.00 N ATOM 664 CA ARG A 47 12.458 -6.786 2.368 1.00 0.00 C ATOM 665 C ARG A 47 13.736 -6.054 1.965 1.00 0.00 C ATOM 666 O ARG A 47 14.762 -6.165 2.635 1.00 0.00 O ATOM 667 CB ARG A 47 12.466 -8.202 1.789 1.00 0.00 C ATOM 668 CG ARG A 47 11.573 -9.172 2.547 1.00 0.00 C ATOM 669 CD ARG A 47 11.367 -10.463 1.771 1.00 0.00 C ATOM 670 NE ARG A 47 12.311 -11.502 2.174 1.00 0.00 N ATOM 671 CZ ARG A 47 13.533 -11.639 1.660 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.967 -10.801 0.725 1.00 0.00 N ATOM 673 NH2 ARG A 47 14.324 -12.614 2.084 1.00 0.00 N ATOM 0 H ARG A 47 10.926 -6.330 1.005 1.00 0.00 H new ATOM 0 HA ARG A 47 12.427 -6.842 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.145 -8.162 0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.488 -8.582 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.018 -9.396 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.608 -8.704 2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.349 -10.820 1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.478 -10.266 0.705 1.00 0.00 H new ATOM 0 HE ARG A 47 12.017 -12.163 2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.364 -10.047 0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.903 -10.912 0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.998 -13.259 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.259 -12.719 1.691 1.00 0.00 H new ATOM 687 N MET A 48 13.671 -5.310 0.865 1.00 0.00 N ATOM 688 CA MET A 48 14.829 -4.566 0.377 1.00 0.00 C ATOM 689 C MET A 48 14.829 -3.128 0.892 1.00 0.00 C ATOM 690 O MET A 48 15.620 -2.301 0.439 1.00 0.00 O ATOM 691 CB MET A 48 14.855 -4.570 -1.152 1.00 0.00 C ATOM 692 CG MET A 48 13.660 -3.872 -1.782 1.00 0.00 C ATOM 693 SD MET A 48 14.139 -2.524 -2.880 1.00 0.00 S ATOM 694 CE MET A 48 12.623 -1.572 -2.922 1.00 0.00 C ATOM 0 H MET A 48 12.831 -5.206 0.295 1.00 0.00 H new ATOM 0 HA MET A 48 15.723 -5.061 0.756 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.770 -4.085 -1.493 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.890 -5.601 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.073 -4.600 -2.342 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.016 -3.482 -0.994 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.653 -0.877 -3.761 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.774 -2.245 -3.038 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.519 -1.013 -1.992 1.00 0.00 H new ATOM 704 N LEU A 49 13.940 -2.832 1.838 1.00 0.00 N ATOM 705 CA LEU A 49 13.848 -1.491 2.403 1.00 0.00 C ATOM 706 C LEU A 49 14.201 -1.498 3.886 1.00 0.00 C ATOM 707 O LEU A 49 14.875 -0.593 4.379 1.00 0.00 O ATOM 708 CB LEU A 49 12.440 -0.931 2.207 1.00 0.00 C ATOM 709 CG LEU A 49 12.127 -0.447 0.791 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.704 0.085 0.716 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.126 0.616 0.357 1.00 0.00 C ATOM 0 H LEU A 49 13.276 -3.501 2.227 1.00 0.00 H new ATOM 0 HA LEU A 49 14.563 -0.855 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.718 -1.701 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.296 -0.101 2.898 1.00 0.00 H new ATOM 0 HG LEU A 49 12.213 -1.292 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.496 0.426 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.005 -0.707 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.590 0.918 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.888 0.949 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.075 1.464 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.132 0.198 0.373 1.00 0.00 H new ATOM 723 N GLY A 50 13.739 -2.522 4.592 1.00 0.00 N ATOM 724 CA GLY A 50 14.012 -2.630 6.013 1.00 0.00 C ATOM 725 C GLY A 50 12.997 -3.497 6.731 1.00 0.00 C ATOM 726 O GLY A 50 13.336 -4.212 7.674 1.00 0.00 O ATOM 0 H GLY A 50 13.179 -3.282 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.009 -3.046 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.014 -1.634 6.457 1.00 0.00 H new ATOM 730 N GLN A 51 11.748 -3.436 6.278 1.00 0.00 N ATOM 731 CA GLN A 51 10.679 -4.225 6.878 1.00 0.00 C ATOM 732 C GLN A 51 10.893 -5.709 6.608 1.00 0.00 C ATOM 733 O GLN A 51 11.741 -6.085 5.798 1.00 0.00 O ATOM 734 CB GLN A 51 9.322 -3.782 6.324 1.00 0.00 C ATOM 735 CG GLN A 51 8.208 -3.797 7.359 1.00 0.00 C ATOM 736 CD GLN A 51 7.956 -2.429 7.962 1.00 0.00 C ATOM 737 OE1 GLN A 51 7.794 -1.441 7.244 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.920 -2.363 9.288 1.00 0.00 N ATOM 0 H GLN A 51 11.452 -2.849 5.498 1.00 0.00 H new ATOM 0 HA GLN A 51 10.693 -4.062 7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.416 -2.775 5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.046 -4.435 5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.291 -4.160 6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.464 -4.499 8.153 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.059 -3.206 9.845 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.753 -1.469 9.750 1.00 0.00 H new ATOM 747 N ASN A 52 10.123 -6.553 7.286 1.00 0.00 N ATOM 748 CA ASN A 52 10.242 -7.993 7.102 1.00 0.00 C ATOM 749 C ASN A 52 8.884 -8.693 7.198 1.00 0.00 C ATOM 750 O ASN A 52 8.767 -9.733 7.848 1.00 0.00 O ATOM 751 CB ASN A 52 11.203 -8.575 8.140 1.00 0.00 C ATOM 752 CG ASN A 52 12.164 -9.580 7.536 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.084 -9.214 6.804 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.955 -10.856 7.839 1.00 0.00 N ATOM 0 H ASN A 52 9.415 -6.267 7.963 1.00 0.00 H new ATOM 0 HA ASN A 52 10.635 -8.167 6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.770 -7.766 8.601 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.630 -9.055 8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.569 -11.577 7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.180 -11.115 8.450 1.00 0.00 H new ATOM 761 N PRO A 53 7.835 -8.150 6.549 1.00 0.00 N ATOM 762 CA PRO A 53 6.503 -8.762 6.580 1.00 0.00 C ATOM 763 C PRO A 53 6.539 -10.234 6.180 1.00 0.00 C ATOM 764 O PRO A 53 6.732 -10.563 5.009 1.00 0.00 O ATOM 765 CB PRO A 53 5.712 -7.957 5.547 1.00 0.00 C ATOM 766 CG PRO A 53 6.400 -6.640 5.480 1.00 0.00 C ATOM 767 CD PRO A 53 7.856 -6.917 5.736 1.00 0.00 C ATOM 0 HA PRO A 53 6.070 -8.740 7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.712 -8.452 4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.670 -7.844 5.848 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.257 -6.175 4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.998 -5.952 6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.407 -7.059 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.334 -6.094 6.267 1.00 0.00 H new ATOM 775 N THR A 54 6.351 -11.116 7.155 1.00 0.00 N ATOM 776 CA THR A 54 6.362 -12.551 6.896 1.00 0.00 C ATOM 777 C THR A 54 5.265 -12.931 5.908 1.00 0.00 C ATOM 778 O THR A 54 4.379 -12.129 5.611 1.00 0.00 O ATOM 779 CB THR A 54 6.182 -13.328 8.201 1.00 0.00 C ATOM 780 OG1 THR A 54 6.809 -12.654 9.278 1.00 0.00 O ATOM 781 CG2 THR A 54 6.749 -14.730 8.145 1.00 0.00 C ATOM 0 H THR A 54 6.189 -10.864 8.130 1.00 0.00 H new ATOM 0 HA THR A 54 7.326 -12.810 6.459 1.00 0.00 H new ATOM 0 HB THR A 54 5.104 -13.394 8.351 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.681 -13.166 10.104 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.588 -15.226 9.102 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.250 -15.293 7.356 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.818 -14.682 7.936 1.00 0.00 H new ATOM 789 N LYS A 55 5.328 -14.158 5.402 1.00 0.00 N ATOM 790 CA LYS A 55 4.338 -14.643 4.446 1.00 0.00 C ATOM 791 C LYS A 55 2.928 -14.549 5.023 1.00 0.00 C ATOM 792 O LYS A 55 1.955 -14.397 4.286 1.00 0.00 O ATOM 793 CB LYS A 55 4.644 -16.089 4.051 1.00 0.00 C ATOM 794 CG LYS A 55 3.927 -16.539 2.789 1.00 0.00 C ATOM 795 CD LYS A 55 4.597 -15.989 1.539 1.00 0.00 C ATOM 796 CE LYS A 55 3.750 -14.916 0.873 1.00 0.00 C ATOM 797 NZ LYS A 55 4.257 -13.546 1.162 1.00 0.00 N ATOM 0 H LYS A 55 6.054 -14.835 5.638 1.00 0.00 H new ATOM 0 HA LYS A 55 4.390 -14.012 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.719 -16.198 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.364 -16.748 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.913 -17.628 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.889 -16.208 2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.570 -15.574 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.776 -16.801 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.740 -15.079 -0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.720 -15.002 1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.600 -13.061 1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.195 -13.610 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.331 -13.009 0.275 1.00 0.00 H new ATOM 811 N CYS A 56 2.827 -14.640 6.346 1.00 0.00 N ATOM 812 CA CYS A 56 1.536 -14.564 7.020 1.00 0.00 C ATOM 813 C CYS A 56 1.148 -13.113 7.290 1.00 0.00 C ATOM 814 O CYS A 56 -0.031 -12.761 7.262 1.00 0.00 O ATOM 815 CB CYS A 56 1.578 -15.345 8.334 1.00 0.00 C ATOM 816 SG CYS A 56 2.900 -14.833 9.456 1.00 0.00 S ATOM 0 H CYS A 56 3.623 -14.766 6.971 1.00 0.00 H new ATOM 0 HA CYS A 56 0.785 -15.006 6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.621 -15.231 8.842 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.696 -16.405 8.110 1.00 0.00 H new ATOM 0 HG CYS A 56 2.851 -15.550 10.539 1.00 0.00 H new ATOM 822 N GLU A 57 2.147 -12.276 7.549 1.00 0.00 N ATOM 823 CA GLU A 57 1.912 -10.863 7.822 1.00 0.00 C ATOM 824 C GLU A 57 1.189 -10.196 6.659 1.00 0.00 C ATOM 825 O GLU A 57 0.087 -9.671 6.816 1.00 0.00 O ATOM 826 CB GLU A 57 3.236 -10.145 8.084 1.00 0.00 C ATOM 827 CG GLU A 57 4.009 -10.711 9.265 1.00 0.00 C ATOM 828 CD GLU A 57 4.934 -9.692 9.900 1.00 0.00 C ATOM 829 OE1 GLU A 57 4.427 -8.690 10.448 1.00 0.00 O ATOM 830 OE2 GLU A 57 6.165 -9.894 9.848 1.00 0.00 O ATOM 0 H GLU A 57 3.129 -12.552 7.576 1.00 0.00 H new ATOM 0 HA GLU A 57 1.283 -10.793 8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.857 -10.207 7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.038 -9.088 8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.305 -11.074 10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.593 -11.570 8.934 1.00 0.00 H new ATOM 837 N LEU A 58 1.819 -10.223 5.492 1.00 0.00 N ATOM 838 CA LEU A 58 1.242 -9.621 4.297 1.00 0.00 C ATOM 839 C LEU A 58 -0.050 -10.332 3.906 1.00 0.00 C ATOM 840 O LEU A 58 -0.975 -9.712 3.382 1.00 0.00 O ATOM 841 CB LEU A 58 2.246 -9.671 3.145 1.00 0.00 C ATOM 842 CG LEU A 58 3.659 -9.200 3.502 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.696 -9.957 2.687 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.794 -7.701 3.275 1.00 0.00 C ATOM 0 H LEU A 58 2.731 -10.656 5.347 1.00 0.00 H new ATOM 0 HA LEU A 58 1.007 -8.579 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.302 -10.695 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.870 -9.057 2.327 1.00 0.00 H new ATOM 0 HG LEU A 58 3.834 -9.406 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.694 -9.609 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.616 -11.024 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.523 -9.782 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.804 -7.383 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.599 -7.473 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.076 -7.172 3.901 1.00 0.00 H new ATOM 856 N ASP A 59 -0.109 -11.632 4.174 1.00 0.00 N ATOM 857 CA ASP A 59 -1.294 -12.423 3.859 1.00 0.00 C ATOM 858 C ASP A 59 -2.466 -12.010 4.739 1.00 0.00 C ATOM 859 O ASP A 59 -3.626 -12.181 4.364 1.00 0.00 O ATOM 860 CB ASP A 59 -1.004 -13.914 4.037 1.00 0.00 C ATOM 861 CG ASP A 59 -2.149 -14.786 3.561 1.00 0.00 C ATOM 862 OD1 ASP A 59 -3.152 -14.901 4.295 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.042 -15.354 2.454 1.00 0.00 O ATOM 0 H ASP A 59 0.648 -12.160 4.608 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.559 -12.238 2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.100 -14.174 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.807 -14.120 5.089 1.00 0.00 H new ATOM 868 N ALA A 60 -2.159 -11.461 5.908 1.00 0.00 N ATOM 869 CA ALA A 60 -3.193 -11.021 6.832 1.00 0.00 C ATOM 870 C ALA A 60 -3.738 -9.658 6.422 1.00 0.00 C ATOM 871 O ALA A 60 -4.919 -9.367 6.612 1.00 0.00 O ATOM 872 CB ALA A 60 -2.653 -10.976 8.254 1.00 0.00 C ATOM 0 H ALA A 60 -1.205 -11.311 6.236 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.012 -11.740 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.440 -10.645 8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.316 -11.970 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.815 -10.280 8.303 1.00 0.00 H new ATOM 878 N ILE A 61 -2.870 -8.829 5.850 1.00 0.00 N ATOM 879 CA ILE A 61 -3.263 -7.502 5.405 1.00 0.00 C ATOM 880 C ILE A 61 -4.003 -7.584 4.071 1.00 0.00 C ATOM 881 O ILE A 61 -5.146 -7.144 3.960 1.00 0.00 O ATOM 882 CB ILE A 61 -2.033 -6.577 5.271 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.552 -6.132 6.654 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.353 -5.367 4.406 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.461 -7.009 7.225 1.00 0.00 C ATOM 0 H ILE A 61 -1.889 -9.056 5.685 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.931 -7.080 6.156 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.235 -7.139 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.187 -5.107 6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.399 -6.127 7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.470 -4.732 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.650 -5.699 3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.168 -4.802 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.169 -6.634 8.206 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.828 -8.031 7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.402 -6.995 6.560 1.00 0.00 H new ATOM 897 N ILE A 62 -3.347 -8.161 3.066 1.00 0.00 N ATOM 898 CA ILE A 62 -3.948 -8.308 1.742 1.00 0.00 C ATOM 899 C ILE A 62 -5.370 -8.852 1.845 1.00 0.00 C ATOM 900 O ILE A 62 -6.287 -8.352 1.193 1.00 0.00 O ATOM 901 CB ILE A 62 -3.106 -9.239 0.846 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.737 -8.610 0.582 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.829 -9.525 -0.467 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.863 -9.428 -0.341 1.00 0.00 C ATOM 0 H ILE A 62 -2.401 -8.534 3.143 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.977 -7.317 1.289 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.963 -10.187 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.879 -7.619 0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.220 -8.473 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.217 -10.183 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.784 -10.007 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.003 -8.589 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.091 -8.921 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.690 -10.411 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.359 -9.543 -1.305 1.00 0.00 H new ATOM 916 N CYS A 63 -5.547 -9.876 2.676 1.00 0.00 N ATOM 917 CA CYS A 63 -6.860 -10.479 2.873 1.00 0.00 C ATOM 918 C CYS A 63 -7.848 -9.440 3.389 1.00 0.00 C ATOM 919 O CYS A 63 -9.032 -9.469 3.052 1.00 0.00 O ATOM 920 CB CYS A 63 -6.765 -11.649 3.854 1.00 0.00 C ATOM 921 SG CYS A 63 -8.016 -12.929 3.598 1.00 0.00 S ATOM 0 H CYS A 63 -4.799 -10.304 3.222 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.217 -10.854 1.914 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.776 -12.100 3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.855 -11.266 4.870 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.853 -13.876 4.473 1.00 0.00 H new ATOM 927 N GLU A 64 -7.346 -8.511 4.198 1.00 0.00 N ATOM 928 CA GLU A 64 -8.174 -7.448 4.751 1.00 0.00 C ATOM 929 C GLU A 64 -8.321 -6.316 3.742 1.00 0.00 C ATOM 930 O GLU A 64 -9.361 -5.661 3.671 1.00 0.00 O ATOM 931 CB GLU A 64 -7.561 -6.917 6.049 1.00 0.00 C ATOM 932 CG GLU A 64 -8.064 -7.629 7.295 1.00 0.00 C ATOM 933 CD GLU A 64 -7.782 -6.848 8.565 1.00 0.00 C ATOM 934 OE1 GLU A 64 -6.621 -6.432 8.761 1.00 0.00 O ATOM 935 OE2 GLU A 64 -8.723 -6.653 9.363 1.00 0.00 O ATOM 0 H GLU A 64 -6.368 -8.475 4.484 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.161 -7.855 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.477 -7.017 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.780 -5.853 6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.137 -7.796 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.594 -8.610 7.364 1.00 0.00 H new ATOM 942 N VAL A 65 -7.269 -6.101 2.956 1.00 0.00 N ATOM 943 CA VAL A 65 -7.270 -5.058 1.939 1.00 0.00 C ATOM 944 C VAL A 65 -8.250 -5.399 0.820 1.00 0.00 C ATOM 945 O VAL A 65 -9.077 -4.575 0.431 1.00 0.00 O ATOM 946 CB VAL A 65 -5.860 -4.865 1.338 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.898 -3.896 0.163 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.882 -4.384 2.402 1.00 0.00 C ATOM 0 H VAL A 65 -6.403 -6.638 3.006 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.579 -4.131 2.422 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.515 -5.831 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.893 -3.777 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.558 -4.288 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.270 -2.929 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.895 -4.255 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.225 -3.432 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.825 -5.121 3.203 1.00 0.00 H new ATOM 958 N ASP A 66 -8.147 -6.621 0.309 1.00 0.00 N ATOM 959 CA ASP A 66 -9.017 -7.080 -0.766 1.00 0.00 C ATOM 960 C ASP A 66 -10.422 -7.366 -0.250 1.00 0.00 C ATOM 961 O ASP A 66 -10.620 -8.243 0.592 1.00 0.00 O ATOM 962 CB ASP A 66 -8.434 -8.335 -1.416 1.00 0.00 C ATOM 963 CG ASP A 66 -7.247 -8.026 -2.305 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.188 -7.635 -1.768 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.376 -8.172 -3.538 1.00 0.00 O ATOM 0 H ASP A 66 -7.467 -7.313 0.624 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.081 -6.287 -1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.130 -9.036 -0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.207 -8.828 -2.005 1.00 0.00 H new ATOM 970 N GLU A 67 -11.398 -6.624 -0.763 1.00 0.00 N ATOM 971 CA GLU A 67 -12.787 -6.801 -0.359 1.00 0.00 C ATOM 972 C GLU A 67 -13.567 -7.571 -1.418 1.00 0.00 C ATOM 973 O GLU A 67 -14.779 -7.402 -1.555 1.00 0.00 O ATOM 974 CB GLU A 67 -13.445 -5.442 -0.109 1.00 0.00 C ATOM 975 CG GLU A 67 -13.295 -4.946 1.319 1.00 0.00 C ATOM 976 CD GLU A 67 -14.279 -5.599 2.269 1.00 0.00 C ATOM 977 OE1 GLU A 67 -15.379 -5.979 1.815 1.00 0.00 O ATOM 978 OE2 GLU A 67 -13.952 -5.729 3.467 1.00 0.00 O ATOM 0 H GLU A 67 -11.252 -5.894 -1.460 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.800 -7.378 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.011 -4.707 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.506 -5.511 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.279 -5.142 1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.437 -3.865 1.341 1.00 0.00 H new ATOM 985 N ASP A 68 -12.865 -8.417 -2.167 1.00 0.00 N ATOM 986 CA ASP A 68 -13.495 -9.212 -3.215 1.00 0.00 C ATOM 987 C ASP A 68 -12.788 -10.555 -3.388 1.00 0.00 C ATOM 988 O ASP A 68 -12.896 -11.191 -4.437 1.00 0.00 O ATOM 989 CB ASP A 68 -13.486 -8.445 -4.539 1.00 0.00 C ATOM 990 CG ASP A 68 -12.082 -8.141 -5.024 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.348 -7.427 -4.310 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.717 -8.619 -6.119 1.00 0.00 O ATOM 0 H ASP A 68 -11.861 -8.569 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.526 -9.403 -2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.010 -9.028 -5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.035 -7.511 -4.418 1.00 0.00 H new ATOM 997 N GLY A 69 -12.068 -10.985 -2.354 1.00 0.00 N ATOM 998 CA GLY A 69 -11.359 -12.252 -2.415 1.00 0.00 C ATOM 999 C GLY A 69 -10.495 -12.381 -3.655 1.00 0.00 C ATOM 1000 O GLY A 69 -10.652 -13.321 -4.434 1.00 0.00 O ATOM 0 H GLY A 69 -11.963 -10.478 -1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.733 -12.356 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.081 -13.069 -2.394 1.00 0.00 H new ATOM 1004 N SER A 70 -9.580 -11.434 -3.839 1.00 0.00 N ATOM 1005 CA SER A 70 -8.689 -11.447 -4.996 1.00 0.00 C ATOM 1006 C SER A 70 -7.228 -11.530 -4.565 1.00 0.00 C ATOM 1007 O SER A 70 -6.411 -12.164 -5.233 1.00 0.00 O ATOM 1008 CB SER A 70 -8.910 -10.195 -5.847 1.00 0.00 C ATOM 1009 OG SER A 70 -9.142 -9.057 -5.034 1.00 0.00 O ATOM 0 H SER A 70 -9.436 -10.649 -3.204 1.00 0.00 H new ATOM 0 HA SER A 70 -8.921 -12.331 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.038 -10.023 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.760 -10.349 -6.512 1.00 0.00 H new ATOM 0 HG SER A 70 -8.294 -8.593 -4.872 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.904 -10.884 -3.450 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.539 -10.896 -2.956 1.00 0.00 C ATOM 1017 C GLY A 71 -4.641 -9.922 -3.697 1.00 0.00 C ATOM 1018 O GLY A 71 -3.434 -9.879 -3.457 1.00 0.00 O ATOM 0 H GLY A 71 -7.562 -10.352 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.539 -10.649 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.132 -11.903 -3.049 1.00 0.00 H new ATOM 1022 N THR A 72 -5.225 -9.138 -4.600 1.00 0.00 N ATOM 1023 CA THR A 72 -4.463 -8.164 -5.372 1.00 0.00 C ATOM 1024 C THR A 72 -4.813 -6.741 -4.947 1.00 0.00 C ATOM 1025 O THR A 72 -5.959 -6.447 -4.607 1.00 0.00 O ATOM 1026 CB THR A 72 -4.732 -8.343 -6.866 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.029 -7.883 -7.201 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.620 -9.780 -7.327 1.00 0.00 C ATOM 0 H THR A 72 -6.222 -9.159 -4.814 1.00 0.00 H new ATOM 0 HA THR A 72 -3.404 -8.332 -5.179 1.00 0.00 H new ATOM 0 HB THR A 72 -3.963 -7.757 -7.370 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.181 -8.005 -8.161 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.823 -9.836 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.613 -10.148 -7.129 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.343 -10.392 -6.788 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.815 -5.863 -4.966 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.014 -4.471 -4.579 1.00 0.00 C ATOM 1038 C ILE A 73 -4.034 -3.553 -5.797 1.00 0.00 C ATOM 1039 O ILE A 73 -3.053 -3.463 -6.537 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.907 -4.003 -3.618 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.730 -5.005 -2.476 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.230 -2.620 -3.071 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.480 -4.774 -1.657 1.00 0.00 C ATOM 0 H ILE A 73 -2.861 -6.091 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.979 -4.415 -4.076 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.970 -3.945 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.599 -4.953 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.703 -6.013 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.438 -2.303 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.307 -1.911 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.177 -2.654 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.420 -5.521 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.604 -4.855 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.514 -3.779 -1.214 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.156 -2.868 -6.000 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.302 -1.954 -7.128 1.00 0.00 C ATOM 1057 C ASP A 74 -4.575 -0.639 -6.866 1.00 0.00 C ATOM 1058 O ASP A 74 -3.806 -0.523 -5.911 1.00 0.00 O ATOM 1059 CB ASP A 74 -6.784 -1.686 -7.405 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.094 -1.630 -8.887 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -6.894 -2.654 -9.574 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -7.535 -0.562 -9.362 1.00 0.00 O ATOM 0 H ASP A 74 -5.977 -2.929 -5.398 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.854 -2.425 -8.003 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.385 -2.468 -6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.073 -0.743 -6.940 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.821 0.349 -7.721 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.189 1.657 -7.585 1.00 0.00 C ATOM 1069 C PHE A 75 -4.521 2.286 -6.233 1.00 0.00 C ATOM 1070 O PHE A 75 -3.724 2.218 -5.296 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.634 2.583 -8.720 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.626 2.704 -9.827 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.575 1.759 -10.840 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -2.731 3.760 -9.855 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -2.649 1.867 -11.861 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -1.802 3.874 -10.872 1.00 0.00 C ATOM 1077 CZ PHE A 75 -1.762 2.926 -11.876 1.00 0.00 C ATOM 0 H PHE A 75 -5.454 0.268 -8.516 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.109 1.519 -7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.572 2.213 -9.133 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.834 3.574 -8.312 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.266 0.929 -10.832 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.759 4.504 -9.072 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.619 1.125 -12.645 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.109 4.702 -10.882 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.038 3.013 -12.672 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.700 2.893 -6.136 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.130 3.528 -4.896 1.00 0.00 C ATOM 1089 C GLU A 76 -6.212 2.507 -3.768 1.00 0.00 C ATOM 1090 O GLU A 76 -6.029 2.842 -2.597 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.489 4.204 -5.086 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.448 5.400 -6.023 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.703 5.015 -7.468 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -8.587 4.167 -7.709 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -7.019 5.564 -8.358 1.00 0.00 O ATOM 0 H GLU A 76 -6.373 2.958 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.392 4.285 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.198 3.473 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.864 4.527 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.194 6.130 -5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.475 5.885 -5.946 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.490 1.257 -4.128 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.597 0.183 -3.148 1.00 0.00 C ATOM 1104 C GLU A 77 -5.353 0.115 -2.266 1.00 0.00 C ATOM 1105 O GLU A 77 -5.417 -0.345 -1.128 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.815 -1.158 -3.855 1.00 0.00 C ATOM 1107 CG GLU A 77 -8.135 -1.822 -3.505 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.173 -3.287 -3.892 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.747 -4.129 -3.073 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -8.629 -3.593 -5.014 1.00 0.00 O ATOM 0 H GLU A 77 -6.645 0.964 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.454 0.394 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.771 -1.002 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.999 -1.833 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.311 -1.729 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.946 -1.296 -4.008 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.223 0.578 -2.797 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.970 0.570 -2.046 1.00 0.00 C ATOM 1119 C PHE A 78 -2.990 1.615 -0.932 1.00 0.00 C ATOM 1120 O PHE A 78 -2.134 1.608 -0.049 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.783 0.818 -2.979 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.467 0.413 -2.380 1.00 0.00 C ATOM 1123 CD1 PHE A 78 -0.206 -0.916 -2.087 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.505 1.360 -2.102 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.000 -1.292 -1.530 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.713 0.989 -1.543 1.00 0.00 C ATOM 1127 CZ PHE A 78 1.960 -0.339 -1.256 1.00 0.00 C ATOM 0 H PHE A 78 -4.149 0.961 -3.739 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.860 -0.414 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.937 0.268 -3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.747 1.876 -3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.954 -1.666 -2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.317 2.400 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.192 -2.331 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.463 1.737 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.903 -0.631 -0.818 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.979 2.503 -0.967 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.113 3.530 0.055 1.00 0.00 C ATOM 1139 C LEU A 79 -5.088 3.071 1.132 1.00 0.00 C ATOM 1140 O LEU A 79 -4.821 3.204 2.325 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.592 4.846 -0.562 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.582 5.535 -1.485 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.079 5.529 -2.923 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.315 6.958 -1.020 1.00 0.00 C ATOM 0 H LEU A 79 -4.697 2.530 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.136 3.697 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.505 4.654 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.853 5.533 0.243 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.646 4.978 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.348 6.023 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.217 4.500 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.029 6.060 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.595 7.430 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.246 7.525 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.912 6.940 -0.007 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.218 2.523 0.695 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.235 2.035 1.615 1.00 0.00 C ATOM 1158 C VAL A 80 -6.690 0.903 2.478 1.00 0.00 C ATOM 1159 O VAL A 80 -7.108 0.725 3.622 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.490 1.551 0.858 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -8.234 0.223 0.158 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.674 1.443 1.806 1.00 0.00 C ATOM 0 H VAL A 80 -6.451 2.407 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.516 2.869 2.258 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.727 2.289 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.136 -0.092 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.420 0.340 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.962 -0.531 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.550 1.101 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.442 0.731 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.879 2.420 2.244 1.00 0.00 H new ATOM 1172 N MET A 81 -5.748 0.143 1.924 1.00 0.00 N ATOM 1173 CA MET A 81 -5.138 -0.967 2.647 1.00 0.00 C ATOM 1174 C MET A 81 -4.594 -0.492 3.986 1.00 0.00 C ATOM 1175 O MET A 81 -4.758 -1.153 5.010 1.00 0.00 O ATOM 1176 CB MET A 81 -4.009 -1.590 1.823 1.00 0.00 C ATOM 1177 CG MET A 81 -3.197 -0.586 1.032 1.00 0.00 C ATOM 1178 SD MET A 81 -1.493 -1.113 0.787 1.00 0.00 S ATOM 1179 CE MET A 81 -0.936 -1.190 2.484 1.00 0.00 C ATOM 0 H MET A 81 -5.392 0.276 0.978 1.00 0.00 H new ATOM 0 HA MET A 81 -5.905 -1.722 2.822 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.343 -2.134 2.492 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.435 -2.320 1.135 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.667 -0.428 0.062 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.206 0.373 1.551 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.131 -0.972 2.527 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.480 -0.457 3.079 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.119 -2.188 2.882 1.00 0.00 H new ATOM 1189 N MET A 82 -3.951 0.667 3.961 1.00 0.00 N ATOM 1190 CA MET A 82 -3.383 1.254 5.163 1.00 0.00 C ATOM 1191 C MET A 82 -4.466 1.955 5.978 1.00 0.00 C ATOM 1192 O MET A 82 -4.378 2.044 7.202 1.00 0.00 O ATOM 1193 CB MET A 82 -2.272 2.238 4.794 1.00 0.00 C ATOM 1194 CG MET A 82 -0.965 1.972 5.526 1.00 0.00 C ATOM 1195 SD MET A 82 0.275 3.248 5.239 1.00 0.00 S ATOM 1196 CE MET A 82 1.103 2.590 3.797 1.00 0.00 C ATOM 0 H MET A 82 -3.810 1.221 3.116 1.00 0.00 H new ATOM 0 HA MET A 82 -2.956 0.457 5.772 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.095 2.189 3.720 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.605 3.252 5.017 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.162 1.899 6.595 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.567 1.008 5.209 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.105 2.261 4.071 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.537 1.744 3.407 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.172 3.364 3.032 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.494 2.443 5.287 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.602 3.126 5.943 1.00 0.00 C ATOM 1208 C VAL A 83 -7.342 2.172 6.877 1.00 0.00 C ATOM 1209 O VAL A 83 -7.888 2.587 7.899 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.595 3.704 4.908 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.824 4.285 5.592 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.917 4.757 4.046 1.00 0.00 C ATOM 0 H VAL A 83 -5.581 2.377 4.273 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.183 3.948 6.523 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.922 2.887 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.504 4.684 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.329 3.503 6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.520 5.085 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.632 5.152 3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.555 5.567 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.077 4.308 3.516 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.351 0.893 6.518 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.020 -0.124 7.324 1.00 0.00 C ATOM 1224 C ARG A 84 -7.183 -0.495 8.547 1.00 0.00 C ATOM 1225 O ARG A 84 -7.697 -1.062 9.510 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.294 -1.372 6.482 1.00 0.00 C ATOM 1227 CG ARG A 84 -8.936 -1.073 5.135 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.185 -1.912 4.908 1.00 0.00 C ATOM 1229 NE ARG A 84 -10.001 -3.300 5.330 1.00 0.00 N ATOM 1230 CZ ARG A 84 -11.003 -4.140 5.575 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.262 -3.738 5.439 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -10.748 -5.384 5.955 1.00 0.00 N ATOM 0 H ARG A 84 -6.903 0.535 5.675 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.967 0.290 7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.356 -1.902 6.318 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.944 -2.043 7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.194 -0.015 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.218 -1.267 4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -11.019 -1.475 5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.450 -1.887 3.851 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.048 -3.645 5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.463 -2.782 5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.027 -4.385 5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.783 -5.698 6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.517 -6.028 6.143 1.00 0.00 H new ATOM 1246 N GLN A 85 -5.893 -0.172 8.502 1.00 0.00 N ATOM 1247 CA GLN A 85 -4.991 -0.471 9.609 1.00 0.00 C ATOM 1248 C GLN A 85 -4.598 0.802 10.355 1.00 0.00 C ATOM 1249 O GLN A 85 -4.068 0.742 11.464 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.735 -1.182 9.097 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.014 -2.227 8.026 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.091 -3.212 8.439 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -6.129 -3.322 7.787 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -4.848 -3.933 9.527 1.00 0.00 N ATOM 0 H GLN A 85 -5.450 0.296 7.712 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.517 -1.129 10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.046 -0.439 8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.232 -1.661 9.937 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.317 -1.727 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.095 -2.770 7.805 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.973 -3.808 10.037 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.536 -4.612 9.853 1.00 0.00 H new ATOM 1263 N MET A 86 -4.859 1.954 9.741 1.00 0.00 N ATOM 1264 CA MET A 86 -4.530 3.236 10.349 1.00 0.00 C ATOM 1265 C MET A 86 -5.604 3.659 11.345 1.00 0.00 C ATOM 1266 O MET A 86 -5.315 3.902 12.518 1.00 0.00 O ATOM 1267 CB MET A 86 -4.365 4.304 9.266 1.00 0.00 C ATOM 1268 CG MET A 86 -2.930 4.467 8.790 1.00 0.00 C ATOM 1269 SD MET A 86 -2.677 5.982 7.846 1.00 0.00 S ATOM 1270 CE MET A 86 -2.178 5.310 6.262 1.00 0.00 C ATOM 0 H MET A 86 -5.298 2.023 8.823 1.00 0.00 H new ATOM 0 HA MET A 86 -3.589 3.127 10.889 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.995 4.047 8.414 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.723 5.259 9.651 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.263 4.466 9.652 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.656 3.610 8.174 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.733 6.099 5.656 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.447 4.516 6.417 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.050 4.905 5.748 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.843 3.744 10.874 1.00 0.00 N ATOM 1281 CA LYS A 87 -7.959 4.137 11.727 1.00 0.00 C ATOM 1282 C LYS A 87 -8.401 2.975 12.612 1.00 0.00 C ATOM 1283 O LYS A 87 -9.428 2.343 12.361 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.134 4.627 10.876 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.713 3.560 9.959 1.00 0.00 C ATOM 1286 CD LYS A 87 -10.036 4.122 8.584 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.384 4.823 8.569 1.00 0.00 C ATOM 1288 NZ LYS A 87 -11.644 5.502 7.270 1.00 0.00 N ATOM 0 H LYS A 87 -7.100 3.546 9.907 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.625 4.952 12.369 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.921 4.992 11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.806 5.473 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.002 2.739 9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.617 3.147 10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.257 4.823 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.037 3.315 7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.173 4.096 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.421 5.556 9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.573 5.968 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.906 6.214 7.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.635 4.800 6.503 1.00 0.00 H new ATOM 1384 N SER B 117 1.615 2.510 10.544 1.00 0.00 N ATOM 1385 CA SER B 117 2.704 3.404 10.174 1.00 0.00 C ATOM 1386 C SER B 117 3.608 2.770 9.120 1.00 0.00 C ATOM 1387 O SER B 117 4.824 2.699 9.291 1.00 0.00 O ATOM 1388 CB SER B 117 3.525 3.783 11.408 1.00 0.00 C ATOM 1389 OG SER B 117 4.427 2.749 11.760 1.00 0.00 O ATOM 0 HA SER B 117 2.264 4.305 9.747 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.079 4.701 11.212 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.856 3.987 12.245 1.00 0.00 H new ATOM 0 HG SER B 117 5.105 2.654 11.059 1.00 0.00 H new ATOM 1395 N ALA B 118 3.005 2.326 8.023 1.00 0.00 N ATOM 1396 CA ALA B 118 3.756 1.715 6.934 1.00 0.00 C ATOM 1397 C ALA B 118 4.467 2.780 6.101 1.00 0.00 C ATOM 1398 O ALA B 118 5.237 2.459 5.196 1.00 0.00 O ATOM 1399 CB ALA B 118 2.831 0.886 6.056 1.00 0.00 C ATOM 0 H ALA B 118 1.999 2.378 7.865 1.00 0.00 H new ATOM 0 HA ALA B 118 4.512 1.059 7.365 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.405 0.435 5.246 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.369 0.101 6.654 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.055 1.527 5.637 1.00 0.00 H new ATOM 1405 N ASP B 119 4.201 4.051 6.415 1.00 0.00 N ATOM 1406 CA ASP B 119 4.806 5.175 5.704 1.00 0.00 C ATOM 1407 C ASP B 119 6.293 4.949 5.440 1.00 0.00 C ATOM 1408 O ASP B 119 6.842 5.473 4.473 1.00 0.00 O ATOM 1409 CB ASP B 119 4.613 6.466 6.501 1.00 0.00 C ATOM 1410 CG ASP B 119 5.009 7.698 5.711 1.00 0.00 C ATOM 1411 OD1 ASP B 119 4.298 8.035 4.741 1.00 0.00 O ATOM 1412 OD2 ASP B 119 6.030 8.325 6.062 1.00 0.00 O ATOM 0 H ASP B 119 3.565 4.326 7.164 1.00 0.00 H new ATOM 0 HA ASP B 119 4.305 5.260 4.740 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.569 6.551 6.802 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.205 6.418 7.415 1.00 0.00 H new ATOM 1417 N ALA B 120 6.941 4.168 6.301 1.00 0.00 N ATOM 1418 CA ALA B 120 8.366 3.881 6.148 1.00 0.00 C ATOM 1419 C ALA B 120 8.700 3.503 4.710 1.00 0.00 C ATOM 1420 O ALA B 120 9.404 4.237 4.016 1.00 0.00 O ATOM 1421 CB ALA B 120 8.790 2.775 7.102 1.00 0.00 C ATOM 0 H ALA B 120 6.505 3.724 7.109 1.00 0.00 H new ATOM 0 HA ALA B 120 8.921 4.787 6.394 1.00 0.00 H new ATOM 0 HB1 ALA B 120 9.854 2.573 6.975 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.599 3.087 8.129 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.221 1.871 6.886 1.00 0.00 H new ATOM 1427 N MET B 121 8.182 2.365 4.258 1.00 0.00 N ATOM 1428 CA MET B 121 8.422 1.916 2.892 1.00 0.00 C ATOM 1429 C MET B 121 8.000 3.002 1.911 1.00 0.00 C ATOM 1430 O MET B 121 8.674 3.251 0.911 1.00 0.00 O ATOM 1431 CB MET B 121 7.655 0.618 2.613 1.00 0.00 C ATOM 1432 CG MET B 121 7.549 0.261 1.134 1.00 0.00 C ATOM 1433 SD MET B 121 5.842 0.101 0.580 1.00 0.00 S ATOM 1434 CE MET B 121 5.239 -1.131 1.730 1.00 0.00 C ATOM 0 H MET B 121 7.597 1.741 4.814 1.00 0.00 H new ATOM 0 HA MET B 121 9.487 1.719 2.767 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.146 -0.201 3.139 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.651 0.706 3.027 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.049 1.028 0.542 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.076 -0.676 0.952 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.353 -1.612 1.316 1.00 0.00 H new ATOM 0 HE2 MET B 121 6.013 -1.880 1.900 1.00 0.00 H new ATOM 0 HE3 MET B 121 4.984 -0.652 2.675 1.00 0.00 H new ATOM 1444 N LEU B 122 6.883 3.651 2.215 1.00 0.00 N ATOM 1445 CA LEU B 122 6.370 4.721 1.375 1.00 0.00 C ATOM 1446 C LEU B 122 7.391 5.849 1.283 1.00 0.00 C ATOM 1447 O LEU B 122 7.502 6.519 0.254 1.00 0.00 O ATOM 1448 CB LEU B 122 5.044 5.247 1.938 1.00 0.00 C ATOM 1449 CG LEU B 122 3.824 4.340 1.724 1.00 0.00 C ATOM 1450 CD1 LEU B 122 4.060 2.955 2.314 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.581 4.974 2.335 1.00 0.00 C ATOM 0 H LEU B 122 6.315 3.453 3.039 1.00 0.00 H new ATOM 0 HA LEU B 122 6.191 4.328 0.374 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.166 5.415 3.008 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.837 6.216 1.485 1.00 0.00 H new ATOM 0 HG LEU B 122 3.670 4.227 0.651 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.180 2.334 2.148 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.924 2.497 1.832 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.246 3.042 3.385 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.723 4.320 2.176 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.734 5.118 3.405 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.395 5.938 1.862 1.00 0.00 H new ATOM 1463 N ARG B 123 8.146 6.047 2.361 1.00 0.00 N ATOM 1464 CA ARG B 123 9.169 7.085 2.401 1.00 0.00 C ATOM 1465 C ARG B 123 10.514 6.544 1.916 1.00 0.00 C ATOM 1466 O ARG B 123 11.402 7.307 1.537 1.00 0.00 O ATOM 1467 CB ARG B 123 9.315 7.633 3.822 1.00 0.00 C ATOM 1468 CG ARG B 123 9.936 9.018 3.881 1.00 0.00 C ATOM 1469 CD ARG B 123 10.406 9.358 5.286 1.00 0.00 C ATOM 1470 NE ARG B 123 10.508 10.800 5.496 1.00 0.00 N ATOM 1471 CZ ARG B 123 9.462 11.592 5.725 1.00 0.00 C ATOM 1472 NH1 ARG B 123 8.236 11.085 5.775 1.00 0.00 N ATOM 1473 NH2 ARG B 123 9.642 12.893 5.905 1.00 0.00 N ATOM 0 H ARG B 123 8.067 5.501 3.219 1.00 0.00 H new ATOM 0 HA ARG B 123 8.858 7.891 1.736 1.00 0.00 H new ATOM 0 HB2 ARG B 123 8.332 7.665 4.293 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.926 6.945 4.406 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.779 9.070 3.192 1.00 0.00 H new ATOM 0 HG3 ARG B 123 9.208 9.759 3.550 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.713 8.934 6.012 1.00 0.00 H new ATOM 0 HD3 ARG B 123 11.377 8.896 5.465 1.00 0.00 H new ATOM 0 HE ARG B 123 11.435 11.225 5.465 1.00 0.00 H new ATOM 0 HH11 ARG B 123 8.092 10.085 5.638 1.00 0.00 H new ATOM 0 HH12 ARG B 123 7.438 11.696 5.951 1.00 0.00 H new ATOM 0 HH21 ARG B 123 10.582 13.288 5.868 1.00 0.00 H new ATOM 0 HH22 ARG B 123 8.841 13.499 6.080 1.00 0.00 H new ATOM 1487 N ALA B 124 10.658 5.221 1.940 1.00 0.00 N ATOM 1488 CA ALA B 124 11.893 4.571 1.513 1.00 0.00 C ATOM 1489 C ALA B 124 12.265 4.942 0.082 1.00 0.00 C ATOM 1490 O ALA B 124 13.248 5.644 -0.152 1.00 0.00 O ATOM 1491 CB ALA B 124 11.760 3.062 1.645 1.00 0.00 C ATOM 0 H ALA B 124 9.931 4.577 2.252 1.00 0.00 H new ATOM 0 HA ALA B 124 12.694 4.924 2.163 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.686 2.586 1.324 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.561 2.804 2.685 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.937 2.713 1.021 1.00 0.00 H new ATOM 1497 N LEU B 125 11.482 4.453 -0.874 1.00 0.00 N ATOM 1498 CA LEU B 125 11.740 4.720 -2.285 1.00 0.00 C ATOM 1499 C LEU B 125 11.179 6.073 -2.721 1.00 0.00 C ATOM 1500 O LEU B 125 11.257 6.428 -3.897 1.00 0.00 O ATOM 1501 CB LEU B 125 11.146 3.605 -3.143 1.00 0.00 C ATOM 1502 CG LEU B 125 11.533 2.191 -2.709 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.494 1.188 -3.177 1.00 0.00 C ATOM 1504 CD2 LEU B 125 12.911 1.827 -3.241 1.00 0.00 C ATOM 0 H LEU B 125 10.664 3.870 -0.698 1.00 0.00 H new ATOM 0 HA LEU B 125 12.821 4.752 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.060 3.691 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.461 3.753 -4.176 1.00 0.00 H new ATOM 0 HG LEU B 125 11.570 2.162 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.786 0.187 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.526 1.438 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.424 1.217 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.169 0.817 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU B 125 12.904 1.873 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.648 2.530 -2.853 1.00 0.00 H new