USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 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 18 MET CE :methyl 166:sc= -0.353 (180deg=-0.135) USER MOD Set 1.2: A 86 MET CE :methyl -168:sc= -8.82! (180deg=-10.1!) USER MOD Set 2.1: A 46 MET CE :methyl 180:sc=-0.00861 (180deg=-0.00861) USER MOD Set 2.2: A 51 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.7!) USER MOD Single : A 6 GLN : amide:sc= -1.24 K(o=-1.2,f=-2!) USER MOD Single : A 7 GLN : amide:sc= -1.09 K(o=-1.1,f=-2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -117:sc= -0.295 (180deg=-0.591) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.044 USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0355) USER MOD Single : A 44 THR OG1 : rot 81:sc= 0.0162 USER MOD Single : A 48 MET CE :methyl 174:sc= -11.7! (180deg=-12!) USER MOD Single : A 52 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.82) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00248 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 89:sc= 0.103 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00962 USER MOD Single : A 81 MET CE :methyl -144:sc= -0.725 (180deg=-2.44!) USER MOD Single : A 82 MET CE :methyl -117:sc= -13.2! (180deg=-16.4!) USER MOD Single : A 85 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.21) USER MOD Single : A 87 LYS NZ :NH3+ 178:sc= 1.54 (180deg=1.33) USER MOD Single : B 117 SER OG : rot 65:sc= 1.11 USER MOD Single : B 121 MET CE :methyl 166:sc= -4.77! (180deg=-5.95!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.515 2.924 -0.872 1.00 0.00 N ATOM 68 CA GLN A 6 -13.441 2.959 0.117 1.00 0.00 C ATOM 69 C GLN A 6 -12.096 3.257 -0.542 1.00 0.00 C ATOM 70 O GLN A 6 -11.189 3.795 0.093 1.00 0.00 O ATOM 71 CB GLN A 6 -13.369 1.628 0.868 1.00 0.00 C ATOM 72 CG GLN A 6 -13.008 0.448 -0.019 1.00 0.00 C ATOM 73 CD GLN A 6 -13.213 -0.885 0.672 1.00 0.00 C ATOM 74 OE1 GLN A 6 -14.174 -1.602 0.392 1.00 0.00 O ATOM 75 NE2 GLN A 6 -12.308 -1.226 1.583 1.00 0.00 N ATOM 0 HA GLN A 6 -13.661 3.759 0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.632 1.710 1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.332 1.435 1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.614 0.480 -0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.967 0.536 -0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.527 -0.602 1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.394 -2.112 2.081 1.00 0.00 H new ATOM 84 N GLN A 7 -11.976 2.906 -1.819 1.00 0.00 N ATOM 85 CA GLN A 7 -10.741 3.140 -2.564 1.00 0.00 C ATOM 86 C GLN A 7 -10.535 4.628 -2.825 1.00 0.00 C ATOM 87 O GLN A 7 -9.418 5.074 -3.087 1.00 0.00 O ATOM 88 CB GLN A 7 -10.755 2.381 -3.895 1.00 0.00 C ATOM 89 CG GLN A 7 -11.509 1.060 -3.850 1.00 0.00 C ATOM 90 CD GLN A 7 -10.941 0.032 -4.809 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.729 -1.124 -4.445 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.692 0.451 -6.045 1.00 0.00 N ATOM 0 H GLN A 7 -12.717 2.459 -2.360 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.915 2.772 -1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.203 3.017 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.727 2.190 -4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.477 0.662 -2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.557 1.236 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.883 1.419 -6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.310 -0.195 -6.735 1.00 0.00 H new ATOM 101 N ALA A 8 -11.619 5.391 -2.753 1.00 0.00 N ATOM 102 CA ALA A 8 -11.562 6.827 -2.983 1.00 0.00 C ATOM 103 C ALA A 8 -11.312 7.581 -1.682 1.00 0.00 C ATOM 104 O ALA A 8 -10.429 8.435 -1.607 1.00 0.00 O ATOM 105 CB ALA A 8 -12.847 7.310 -3.637 1.00 0.00 C ATOM 0 H ALA A 8 -12.551 5.036 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.729 7.029 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.789 8.386 -3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.982 6.803 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.692 7.088 -2.986 1.00 0.00 H new ATOM 111 N GLU A 9 -12.096 7.257 -0.655 1.00 0.00 N ATOM 112 CA GLU A 9 -11.957 7.902 0.647 1.00 0.00 C ATOM 113 C GLU A 9 -10.521 7.791 1.139 1.00 0.00 C ATOM 114 O GLU A 9 -9.960 8.746 1.671 1.00 0.00 O ATOM 115 CB GLU A 9 -12.910 7.270 1.662 1.00 0.00 C ATOM 116 CG GLU A 9 -14.371 7.332 1.246 1.00 0.00 C ATOM 117 CD GLU A 9 -15.251 6.415 2.073 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.673 6.830 3.173 1.00 0.00 O ATOM 119 OE2 GLU A 9 -15.517 5.281 1.621 1.00 0.00 O ATOM 0 H GLU A 9 -12.832 6.553 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.213 8.956 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.628 6.228 1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.792 7.774 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.729 8.357 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.457 7.061 0.194 1.00 0.00 H new ATOM 126 N ALA A 10 -9.935 6.614 0.943 1.00 0.00 N ATOM 127 CA ALA A 10 -8.560 6.347 1.343 1.00 0.00 C ATOM 128 C ALA A 10 -7.643 7.522 1.012 1.00 0.00 C ATOM 129 O ALA A 10 -7.017 8.103 1.898 1.00 0.00 O ATOM 130 CB ALA A 10 -8.075 5.089 0.648 1.00 0.00 C ATOM 0 H ALA A 10 -10.400 5.820 0.503 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.533 6.206 2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.046 4.884 0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.709 4.249 0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.121 5.229 -0.432 1.00 0.00 H new ATOM 136 N ARG A 11 -7.573 7.866 -0.270 1.00 0.00 N ATOM 137 CA ARG A 11 -6.738 8.974 -0.723 1.00 0.00 C ATOM 138 C ARG A 11 -7.057 10.246 0.055 1.00 0.00 C ATOM 139 O ARG A 11 -6.199 11.112 0.233 1.00 0.00 O ATOM 140 CB ARG A 11 -6.943 9.210 -2.223 1.00 0.00 C ATOM 141 CG ARG A 11 -5.731 8.854 -3.066 1.00 0.00 C ATOM 142 CD ARG A 11 -5.920 9.269 -4.516 1.00 0.00 C ATOM 143 NE ARG A 11 -6.325 10.668 -4.636 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.847 11.196 -5.742 1.00 0.00 C ATOM 145 NH1 ARG A 11 -7.029 10.447 -6.822 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.188 12.478 -5.766 1.00 0.00 N ATOM 0 H ARG A 11 -8.085 7.393 -1.015 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.695 8.713 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.796 8.622 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.194 10.258 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.847 9.344 -2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.553 7.780 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.990 9.113 -5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.673 8.632 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.201 11.275 -3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.769 9.461 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.429 10.857 -7.666 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.050 13.058 -4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.588 12.884 -6.612 1.00 0.00 H new ATOM 160 N ALA A 12 -8.297 10.352 0.519 1.00 0.00 N ATOM 161 CA ALA A 12 -8.736 11.514 1.280 1.00 0.00 C ATOM 162 C ALA A 12 -8.561 11.294 2.780 1.00 0.00 C ATOM 163 O ALA A 12 -8.546 12.250 3.556 1.00 0.00 O ATOM 164 CB ALA A 12 -10.189 11.832 0.960 1.00 0.00 C ATOM 0 H ALA A 12 -9.018 9.644 0.380 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.113 12.361 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.506 12.702 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.289 12.044 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.814 10.978 1.220 1.00 0.00 H new ATOM 170 N PHE A 13 -8.433 10.033 3.187 1.00 0.00 N ATOM 171 CA PHE A 13 -8.263 9.703 4.597 1.00 0.00 C ATOM 172 C PHE A 13 -6.873 10.093 5.096 1.00 0.00 C ATOM 173 O PHE A 13 -6.605 10.059 6.298 1.00 0.00 O ATOM 174 CB PHE A 13 -8.500 8.209 4.822 1.00 0.00 C ATOM 175 CG PHE A 13 -9.682 7.916 5.702 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.645 8.212 7.055 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.830 7.347 5.175 1.00 0.00 C ATOM 178 CE1 PHE A 13 -10.732 7.946 7.866 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.919 7.078 5.982 1.00 0.00 C ATOM 180 CZ PHE A 13 -11.870 7.378 7.329 1.00 0.00 C ATOM 0 H PHE A 13 -8.444 9.227 2.562 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.998 10.273 5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.646 7.723 3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.607 7.771 5.268 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.757 8.655 7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.874 7.111 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.691 8.182 8.919 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.808 6.633 5.559 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.720 7.169 7.961 1.00 0.00 H new ATOM 190 N LEU A 14 -5.989 10.460 4.173 1.00 0.00 N ATOM 191 CA LEU A 14 -4.631 10.848 4.530 1.00 0.00 C ATOM 192 C LEU A 14 -4.230 12.147 3.840 1.00 0.00 C ATOM 193 O LEU A 14 -4.954 12.656 2.984 1.00 0.00 O ATOM 194 CB LEU A 14 -3.655 9.730 4.164 1.00 0.00 C ATOM 195 CG LEU A 14 -4.043 8.348 4.689 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.696 7.271 3.675 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.355 8.076 6.016 1.00 0.00 C ATOM 0 H LEU A 14 -6.190 10.496 3.174 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.596 11.015 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.570 9.681 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.668 9.987 4.550 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.121 8.329 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.980 6.295 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.235 7.459 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.623 7.285 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.640 7.088 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.274 8.114 5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.656 8.830 6.743 1.00 0.00 H new ATOM 209 N SER A 15 -3.072 12.678 4.219 1.00 0.00 N ATOM 210 CA SER A 15 -2.573 13.919 3.640 1.00 0.00 C ATOM 211 C SER A 15 -1.854 13.655 2.324 1.00 0.00 C ATOM 212 O SER A 15 -1.436 12.530 2.049 1.00 0.00 O ATOM 213 CB SER A 15 -1.621 14.615 4.616 1.00 0.00 C ATOM 214 OG SER A 15 -1.884 14.221 5.952 1.00 0.00 O ATOM 0 H SER A 15 -2.461 12.267 4.925 1.00 0.00 H new ATOM 0 HA SER A 15 -3.428 14.567 3.446 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.590 14.373 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.727 15.696 4.524 1.00 0.00 H new ATOM 0 HG SER A 15 -1.262 14.678 6.556 1.00 0.00 H new ATOM 220 N GLU A 16 -1.697 14.701 1.515 1.00 0.00 N ATOM 221 CA GLU A 16 -1.011 14.577 0.234 1.00 0.00 C ATOM 222 C GLU A 16 0.349 13.914 0.423 1.00 0.00 C ATOM 223 O GLU A 16 0.876 13.273 -0.487 1.00 0.00 O ATOM 224 CB GLU A 16 -0.837 15.953 -0.413 1.00 0.00 C ATOM 225 CG GLU A 16 -2.011 16.368 -1.285 1.00 0.00 C ATOM 226 CD GLU A 16 -1.725 16.200 -2.765 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.063 17.083 -3.347 1.00 0.00 O ATOM 228 OE2 GLU A 16 -2.166 15.183 -3.341 1.00 0.00 O ATOM 0 H GLU A 16 -2.035 15.640 1.724 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.618 13.954 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.695 16.698 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.070 15.949 -1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.885 15.774 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.259 17.410 -1.082 1.00 0.00 H new ATOM 235 N GLU A 17 0.907 14.068 1.621 1.00 0.00 N ATOM 236 CA GLU A 17 2.198 13.482 1.951 1.00 0.00 C ATOM 237 C GLU A 17 2.155 11.965 1.797 1.00 0.00 C ATOM 238 O GLU A 17 2.945 11.382 1.057 1.00 0.00 O ATOM 239 CB GLU A 17 2.584 13.851 3.384 1.00 0.00 C ATOM 240 CG GLU A 17 3.499 15.063 3.475 1.00 0.00 C ATOM 241 CD GLU A 17 4.956 14.681 3.640 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.322 14.191 4.729 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.733 14.871 2.680 1.00 0.00 O ATOM 0 H GLU A 17 0.480 14.597 2.381 1.00 0.00 H new ATOM 0 HA GLU A 17 2.946 13.878 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.677 14.047 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.077 12.998 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.385 15.668 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.192 15.683 4.317 1.00 0.00 H new ATOM 250 N MET A 18 1.219 11.335 2.501 1.00 0.00 N ATOM 251 CA MET A 18 1.060 9.886 2.449 1.00 0.00 C ATOM 252 C MET A 18 0.870 9.408 1.010 1.00 0.00 C ATOM 253 O MET A 18 1.187 8.266 0.680 1.00 0.00 O ATOM 254 CB MET A 18 -0.136 9.458 3.307 1.00 0.00 C ATOM 255 CG MET A 18 0.130 8.237 4.176 1.00 0.00 C ATOM 256 SD MET A 18 1.345 8.551 5.473 1.00 0.00 S ATOM 257 CE MET A 18 1.076 7.143 6.550 1.00 0.00 C ATOM 0 H MET A 18 0.557 11.808 3.116 1.00 0.00 H new ATOM 0 HA MET A 18 1.967 9.428 2.844 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.427 10.291 3.948 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.982 9.248 2.653 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.805 7.911 4.632 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.480 7.419 3.547 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.905 7.059 7.253 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.145 7.279 7.101 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.014 6.234 5.952 1.00 0.00 H new ATOM 267 N ILE A 19 0.357 10.292 0.158 1.00 0.00 N ATOM 268 CA ILE A 19 0.128 9.963 -1.244 1.00 0.00 C ATOM 269 C ILE A 19 1.441 9.934 -2.015 1.00 0.00 C ATOM 270 O ILE A 19 1.836 8.902 -2.555 1.00 0.00 O ATOM 271 CB ILE A 19 -0.829 10.978 -1.907 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.258 10.763 -1.407 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.768 10.869 -3.426 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.262 11.720 -2.011 1.00 0.00 C ATOM 0 H ILE A 19 0.092 11.243 0.416 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.330 8.974 -1.274 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.511 11.983 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.563 9.741 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.274 10.869 -0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.450 11.594 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.248 11.072 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.058 9.863 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.253 11.508 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.982 12.744 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.275 11.598 -3.094 1.00 0.00 H new ATOM 286 N ALA A 20 2.110 11.079 -2.060 1.00 0.00 N ATOM 287 CA ALA A 20 3.380 11.198 -2.761 1.00 0.00 C ATOM 288 C ALA A 20 4.336 10.076 -2.368 1.00 0.00 C ATOM 289 O ALA A 20 5.211 9.691 -3.144 1.00 0.00 O ATOM 290 CB ALA A 20 3.995 12.556 -2.477 1.00 0.00 C ATOM 0 H ALA A 20 1.792 11.941 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 20 3.196 11.108 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.946 12.642 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.319 13.340 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.163 12.663 -1.405 1.00 0.00 H new ATOM 296 N GLU A 21 4.150 9.543 -1.164 1.00 0.00 N ATOM 297 CA GLU A 21 4.981 8.454 -0.672 1.00 0.00 C ATOM 298 C GLU A 21 4.377 7.115 -1.085 1.00 0.00 C ATOM 299 O GLU A 21 5.095 6.142 -1.313 1.00 0.00 O ATOM 300 CB GLU A 21 5.121 8.525 0.851 1.00 0.00 C ATOM 301 CG GLU A 21 5.264 9.940 1.393 1.00 0.00 C ATOM 302 CD GLU A 21 6.571 10.152 2.133 1.00 0.00 C ATOM 303 OE1 GLU A 21 7.115 9.165 2.673 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.050 11.304 2.173 1.00 0.00 O ATOM 0 H GLU A 21 3.429 9.850 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 21 5.975 8.548 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.249 8.058 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.990 7.941 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.199 10.649 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.432 10.154 2.064 1.00 0.00 H new ATOM 311 N PHE A 22 3.051 7.084 -1.199 1.00 0.00 N ATOM 312 CA PHE A 22 2.344 5.875 -1.607 1.00 0.00 C ATOM 313 C PHE A 22 2.819 5.436 -2.986 1.00 0.00 C ATOM 314 O PHE A 22 2.940 4.244 -3.270 1.00 0.00 O ATOM 315 CB PHE A 22 0.832 6.126 -1.641 1.00 0.00 C ATOM 316 CG PHE A 22 0.115 5.705 -0.390 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.379 4.480 0.199 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.828 6.534 0.194 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.282 4.092 1.348 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.491 6.152 1.342 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.218 4.929 1.921 1.00 0.00 C ATOM 0 H PHE A 22 2.445 7.884 -1.014 1.00 0.00 H new ATOM 0 HA PHE A 22 2.556 5.088 -0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.654 7.188 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.404 5.592 -2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.110 3.821 -0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.047 7.492 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.067 3.134 1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.223 6.809 1.787 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.735 4.628 2.820 1.00 0.00 H new ATOM 331 N LYS A 23 3.085 6.419 -3.840 1.00 0.00 N ATOM 332 CA LYS A 23 3.550 6.159 -5.195 1.00 0.00 C ATOM 333 C LYS A 23 5.039 5.806 -5.211 1.00 0.00 C ATOM 334 O LYS A 23 5.577 5.399 -6.241 1.00 0.00 O ATOM 335 CB LYS A 23 3.294 7.382 -6.080 1.00 0.00 C ATOM 336 CG LYS A 23 3.319 7.071 -7.568 1.00 0.00 C ATOM 337 CD LYS A 23 1.917 6.863 -8.116 1.00 0.00 C ATOM 338 CE LYS A 23 1.939 6.593 -9.612 1.00 0.00 C ATOM 339 NZ LYS A 23 0.584 6.276 -10.141 1.00 0.00 N ATOM 0 H LYS A 23 2.985 7.409 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 23 2.995 5.306 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.325 7.810 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.046 8.141 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.803 7.888 -8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.916 6.176 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.444 6.027 -7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.311 7.746 -7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.336 7.465 -10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.613 5.762 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.643 6.099 -11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.214 5.429 -9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.054 7.079 -9.965 1.00 0.00 H new ATOM 353 N ALA A 24 5.701 5.971 -4.066 1.00 0.00 N ATOM 354 CA ALA A 24 7.129 5.679 -3.950 1.00 0.00 C ATOM 355 C ALA A 24 7.498 4.339 -4.585 1.00 0.00 C ATOM 356 O ALA A 24 8.151 4.294 -5.627 1.00 0.00 O ATOM 357 CB ALA A 24 7.549 5.693 -2.487 1.00 0.00 C ATOM 0 H ALA A 24 5.270 6.306 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 24 7.664 6.458 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.614 5.474 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.350 6.676 -2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.984 4.939 -1.939 1.00 0.00 H new ATOM 363 N ALA A 25 7.093 3.250 -3.939 1.00 0.00 N ATOM 364 CA ALA A 25 7.397 1.908 -4.425 1.00 0.00 C ATOM 365 C ALA A 25 6.391 1.427 -5.470 1.00 0.00 C ATOM 366 O ALA A 25 6.515 0.316 -5.985 1.00 0.00 O ATOM 367 CB ALA A 25 7.450 0.935 -3.259 1.00 0.00 C ATOM 0 H ALA A 25 6.552 3.271 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 25 8.371 1.950 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.677 -0.065 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.225 1.248 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.486 0.923 -2.751 1.00 0.00 H new ATOM 373 N PHE A 26 5.395 2.259 -5.778 1.00 0.00 N ATOM 374 CA PHE A 26 4.366 1.905 -6.761 1.00 0.00 C ATOM 375 C PHE A 26 4.961 1.189 -7.974 1.00 0.00 C ATOM 376 O PHE A 26 4.310 0.342 -8.585 1.00 0.00 O ATOM 377 CB PHE A 26 3.621 3.160 -7.216 1.00 0.00 C ATOM 378 CG PHE A 26 2.126 3.013 -7.194 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.401 3.331 -6.056 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.445 2.556 -8.312 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.026 3.197 -6.034 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.070 2.420 -8.294 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.641 2.741 -7.155 1.00 0.00 C ATOM 0 H PHE A 26 5.278 3.183 -5.362 1.00 0.00 H new ATOM 0 HA PHE A 26 3.670 1.220 -6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.905 3.994 -6.574 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.938 3.414 -8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.917 3.688 -5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.995 2.304 -9.206 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.527 3.449 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.449 2.062 -9.171 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.716 2.636 -7.140 1.00 0.00 H new ATOM 393 N ASP A 27 6.195 1.538 -8.320 1.00 0.00 N ATOM 394 CA ASP A 27 6.868 0.930 -9.462 1.00 0.00 C ATOM 395 C ASP A 27 7.372 -0.471 -9.126 1.00 0.00 C ATOM 396 O ASP A 27 6.908 -1.461 -9.692 1.00 0.00 O ATOM 397 CB ASP A 27 8.036 1.808 -9.916 1.00 0.00 C ATOM 398 CG ASP A 27 8.155 1.877 -11.426 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.216 0.806 -12.066 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.188 3.001 -11.968 1.00 0.00 O ATOM 0 H ASP A 27 6.749 2.238 -7.827 1.00 0.00 H new ATOM 0 HA ASP A 27 6.143 0.846 -10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.906 2.815 -9.518 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.964 1.417 -9.499 1.00 0.00 H new ATOM 405 N MET A 28 8.328 -0.546 -8.206 1.00 0.00 N ATOM 406 CA MET A 28 8.903 -1.825 -7.799 1.00 0.00 C ATOM 407 C MET A 28 7.835 -2.765 -7.246 1.00 0.00 C ATOM 408 O MET A 28 7.959 -3.985 -7.342 1.00 0.00 O ATOM 409 CB MET A 28 9.996 -1.601 -6.751 1.00 0.00 C ATOM 410 CG MET A 28 11.402 -1.826 -7.284 1.00 0.00 C ATOM 411 SD MET A 28 12.589 -0.629 -6.641 1.00 0.00 S ATOM 412 CE MET A 28 11.986 0.882 -7.390 1.00 0.00 C ATOM 0 H MET A 28 8.722 0.264 -7.727 1.00 0.00 H new ATOM 0 HA MET A 28 9.339 -2.292 -8.682 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.919 -0.583 -6.369 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.824 -2.271 -5.909 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.729 -2.832 -7.022 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.387 -1.769 -8.372 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.745 1.284 -8.061 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.078 0.671 -7.954 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.768 1.612 -6.611 1.00 0.00 H new ATOM 422 N PHE A 29 6.787 -2.191 -6.662 1.00 0.00 N ATOM 423 CA PHE A 29 5.703 -2.981 -6.089 1.00 0.00 C ATOM 424 C PHE A 29 5.070 -3.893 -7.137 1.00 0.00 C ATOM 425 O PHE A 29 5.063 -5.115 -6.988 1.00 0.00 O ATOM 426 CB PHE A 29 4.636 -2.062 -5.491 1.00 0.00 C ATOM 427 CG PHE A 29 4.634 -2.041 -3.988 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.307 -3.177 -3.269 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.958 -0.886 -3.298 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.302 -3.161 -1.888 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.953 -0.863 -1.917 1.00 0.00 C ATOM 432 CZ PHE A 29 4.624 -2.003 -1.211 1.00 0.00 C ATOM 0 H PHE A 29 6.666 -1.182 -6.573 1.00 0.00 H new ATOM 0 HA PHE A 29 6.125 -3.605 -5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.793 -1.048 -5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.655 -2.381 -5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.053 -4.086 -3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.218 0.008 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.046 -4.055 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.206 0.045 -1.390 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.619 -1.988 -0.131 1.00 0.00 H new ATOM 442 N ASP A 30 4.530 -3.291 -8.192 1.00 0.00 N ATOM 443 CA ASP A 30 3.885 -4.050 -9.258 1.00 0.00 C ATOM 444 C ASP A 30 4.858 -5.009 -9.932 1.00 0.00 C ATOM 445 O ASP A 30 4.449 -5.963 -10.591 1.00 0.00 O ATOM 446 CB ASP A 30 3.273 -3.104 -10.294 1.00 0.00 C ATOM 447 CG ASP A 30 1.816 -3.417 -10.572 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.453 -4.613 -10.560 1.00 0.00 O ATOM 449 OD2 ASP A 30 1.039 -2.468 -10.803 1.00 0.00 O ATOM 0 H ASP A 30 4.526 -2.281 -8.332 1.00 0.00 H new ATOM 0 HA ASP A 30 3.091 -4.643 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.360 -2.077 -9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.840 -3.171 -11.223 1.00 0.00 H new ATOM 454 N ALA A 31 6.140 -4.748 -9.751 1.00 0.00 N ATOM 455 CA ALA A 31 7.190 -5.580 -10.331 1.00 0.00 C ATOM 456 C ALA A 31 7.154 -5.534 -11.855 1.00 0.00 C ATOM 457 O ALA A 31 8.055 -4.986 -12.491 1.00 0.00 O ATOM 458 CB ALA A 31 7.056 -7.015 -9.842 1.00 0.00 C ATOM 0 H ALA A 31 6.486 -3.960 -9.203 1.00 0.00 H new ATOM 0 HA ALA A 31 8.152 -5.183 -10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.845 -7.625 -10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.142 -7.039 -8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.084 -7.411 -10.137 1.00 0.00 H new ATOM 464 N ASP A 32 6.108 -6.110 -12.435 1.00 0.00 N ATOM 465 CA ASP A 32 5.950 -6.136 -13.884 1.00 0.00 C ATOM 466 C ASP A 32 5.000 -5.038 -14.350 1.00 0.00 C ATOM 467 O ASP A 32 5.084 -4.573 -15.487 1.00 0.00 O ATOM 468 CB ASP A 32 5.429 -7.502 -14.336 1.00 0.00 C ATOM 469 CG ASP A 32 4.080 -7.834 -13.728 1.00 0.00 C ATOM 470 OD1 ASP A 32 3.818 -7.401 -12.586 1.00 0.00 O ATOM 471 OD2 ASP A 32 3.285 -8.529 -14.395 1.00 0.00 O ATOM 0 H ASP A 32 5.354 -6.567 -11.922 1.00 0.00 H new ATOM 0 HA ASP A 32 6.927 -5.959 -14.333 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.348 -7.516 -15.423 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.149 -8.272 -14.060 1.00 0.00 H new ATOM 497 N ASP A 36 -1.961 -6.502 -10.307 1.00 0.00 N ATOM 498 CA ASP A 36 -1.923 -5.803 -9.027 1.00 0.00 C ATOM 499 C ASP A 36 -0.836 -6.379 -8.125 1.00 0.00 C ATOM 500 O ASP A 36 -0.065 -7.245 -8.538 1.00 0.00 O ATOM 501 CB ASP A 36 -3.281 -5.892 -8.330 1.00 0.00 C ATOM 502 CG ASP A 36 -4.256 -4.845 -8.832 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.799 -3.837 -9.410 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.476 -5.034 -8.647 1.00 0.00 O ATOM 0 HA ASP A 36 -1.692 -4.756 -9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.704 -6.884 -8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.144 -5.772 -7.255 1.00 0.00 H new ATOM 509 N ILE A 37 -0.781 -5.885 -6.893 1.00 0.00 N ATOM 510 CA ILE A 37 0.209 -6.342 -5.928 1.00 0.00 C ATOM 511 C ILE A 37 -0.242 -7.624 -5.233 1.00 0.00 C ATOM 512 O ILE A 37 -1.210 -7.623 -4.472 1.00 0.00 O ATOM 513 CB ILE A 37 0.480 -5.258 -4.865 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.970 -3.972 -5.532 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.486 -5.749 -3.833 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.298 -2.871 -4.549 1.00 0.00 C ATOM 0 H ILE A 37 -1.413 -5.166 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 37 1.126 -6.545 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.454 -5.044 -4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.857 -4.195 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.206 -3.616 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.661 -4.967 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.094 -6.636 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.425 -5.996 -4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.639 -1.989 -5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.407 -2.621 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.084 -3.208 -3.874 1.00 0.00 H new ATOM 528 N SER A 38 0.474 -8.713 -5.492 1.00 0.00 N ATOM 529 CA SER A 38 0.158 -9.999 -4.885 1.00 0.00 C ATOM 530 C SER A 38 0.885 -10.153 -3.550 1.00 0.00 C ATOM 531 O SER A 38 1.363 -9.174 -2.980 1.00 0.00 O ATOM 532 CB SER A 38 0.539 -11.140 -5.832 1.00 0.00 C ATOM 533 OG SER A 38 -0.477 -12.128 -5.877 1.00 0.00 O ATOM 0 H SER A 38 1.278 -8.730 -6.119 1.00 0.00 H new ATOM 0 HA SER A 38 -0.916 -10.041 -4.701 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.710 -10.744 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.475 -11.592 -5.504 1.00 0.00 H new ATOM 0 HG SER A 38 -0.210 -12.844 -6.490 1.00 0.00 H new ATOM 539 N THR A 39 0.967 -11.385 -3.057 1.00 0.00 N ATOM 540 CA THR A 39 1.637 -11.655 -1.789 1.00 0.00 C ATOM 541 C THR A 39 3.154 -11.565 -1.937 1.00 0.00 C ATOM 542 O THR A 39 3.867 -11.319 -0.963 1.00 0.00 O ATOM 543 CB THR A 39 1.248 -13.038 -1.267 1.00 0.00 C ATOM 544 OG1 THR A 39 1.170 -13.972 -2.329 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.082 -13.053 -0.544 1.00 0.00 C ATOM 0 H THR A 39 0.579 -12.210 -3.514 1.00 0.00 H new ATOM 0 HA THR A 39 1.316 -10.898 -1.074 1.00 0.00 H new ATOM 0 HB THR A 39 2.031 -13.310 -0.559 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.922 -14.851 -1.974 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.298 -14.064 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.038 -12.380 0.312 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.869 -12.726 -1.223 1.00 0.00 H new ATOM 553 N LYS A 40 3.644 -11.770 -3.155 1.00 0.00 N ATOM 554 CA LYS A 40 5.079 -11.716 -3.420 1.00 0.00 C ATOM 555 C LYS A 40 5.528 -10.298 -3.762 1.00 0.00 C ATOM 556 O LYS A 40 6.629 -9.882 -3.400 1.00 0.00 O ATOM 557 CB LYS A 40 5.444 -12.666 -4.563 1.00 0.00 C ATOM 558 CG LYS A 40 4.723 -12.357 -5.866 1.00 0.00 C ATOM 559 CD LYS A 40 5.647 -11.682 -6.868 1.00 0.00 C ATOM 560 CE LYS A 40 5.313 -12.085 -8.295 1.00 0.00 C ATOM 561 NZ LYS A 40 5.418 -10.936 -9.237 1.00 0.00 N ATOM 0 H LYS A 40 3.071 -11.975 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 40 5.596 -12.028 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.520 -12.620 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.212 -13.688 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.332 -13.280 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.868 -11.711 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.567 -10.600 -6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.681 -11.947 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.987 -12.879 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.302 -12.492 -8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.282 -11.273 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.687 -10.232 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.358 -10.500 -9.149 1.00 0.00 H new ATOM 575 N GLU A 41 4.674 -9.560 -4.463 1.00 0.00 N ATOM 576 CA GLU A 41 4.990 -8.190 -4.854 1.00 0.00 C ATOM 577 C GLU A 41 5.224 -7.309 -3.631 1.00 0.00 C ATOM 578 O GLU A 41 5.947 -6.315 -3.701 1.00 0.00 O ATOM 579 CB GLU A 41 3.863 -7.605 -5.706 1.00 0.00 C ATOM 580 CG GLU A 41 4.000 -7.923 -7.187 1.00 0.00 C ATOM 581 CD GLU A 41 2.687 -7.796 -7.936 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.342 -6.668 -8.341 1.00 0.00 O ATOM 583 OE2 GLU A 41 2.006 -8.827 -8.117 1.00 0.00 O ATOM 0 H GLU A 41 3.758 -9.887 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 41 5.908 -8.214 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.908 -7.989 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.842 -6.523 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.734 -7.252 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.383 -8.937 -7.303 1.00 0.00 H new ATOM 590 N LEU A 42 4.606 -7.674 -2.514 1.00 0.00 N ATOM 591 CA LEU A 42 4.747 -6.908 -1.281 1.00 0.00 C ATOM 592 C LEU A 42 6.097 -7.172 -0.620 1.00 0.00 C ATOM 593 O LEU A 42 6.898 -6.255 -0.438 1.00 0.00 O ATOM 594 CB LEU A 42 3.614 -7.247 -0.310 1.00 0.00 C ATOM 595 CG LEU A 42 2.954 -6.040 0.364 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.005 -5.107 0.949 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.069 -5.298 -0.626 1.00 0.00 C ATOM 0 H LEU A 42 4.004 -8.494 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 42 4.692 -5.850 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.849 -7.806 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.005 -7.907 0.464 1.00 0.00 H new ATOM 0 HG LEU A 42 2.330 -6.402 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.514 -4.257 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.596 -5.644 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.659 -4.751 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.607 -4.443 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.673 -4.950 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.292 -5.968 -0.993 1.00 0.00 H new ATOM 609 N GLY A 43 6.340 -8.428 -0.260 1.00 0.00 N ATOM 610 CA GLY A 43 7.593 -8.790 0.382 1.00 0.00 C ATOM 611 C GLY A 43 8.805 -8.258 -0.359 1.00 0.00 C ATOM 612 O GLY A 43 9.834 -7.965 0.248 1.00 0.00 O ATOM 0 H GLY A 43 5.692 -9.203 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.598 -8.406 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.661 -9.876 0.450 1.00 0.00 H new ATOM 616 N THR A 44 8.684 -8.134 -1.676 1.00 0.00 N ATOM 617 CA THR A 44 9.775 -7.635 -2.506 1.00 0.00 C ATOM 618 C THR A 44 10.273 -6.279 -2.005 1.00 0.00 C ATOM 619 O THR A 44 11.317 -6.184 -1.360 1.00 0.00 O ATOM 620 CB THR A 44 9.312 -7.524 -3.967 1.00 0.00 C ATOM 621 OG1 THR A 44 9.432 -8.771 -4.625 1.00 0.00 O ATOM 622 CG2 THR A 44 10.083 -6.502 -4.783 1.00 0.00 C ATOM 0 H THR A 44 7.838 -8.373 -2.194 1.00 0.00 H new ATOM 0 HA THR A 44 10.603 -8.341 -2.444 1.00 0.00 H new ATOM 0 HB THR A 44 8.274 -7.198 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.660 -9.333 -4.405 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.697 -6.484 -5.802 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.968 -5.516 -4.333 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.139 -6.772 -4.800 1.00 0.00 H new ATOM 630 N VAL A 45 9.521 -5.237 -2.329 1.00 0.00 N ATOM 631 CA VAL A 45 9.870 -3.878 -1.942 1.00 0.00 C ATOM 632 C VAL A 45 9.957 -3.719 -0.425 1.00 0.00 C ATOM 633 O VAL A 45 10.714 -2.888 0.076 1.00 0.00 O ATOM 634 CB VAL A 45 8.840 -2.879 -2.498 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.437 -3.264 -2.058 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.178 -1.456 -2.074 1.00 0.00 C ATOM 0 H VAL A 45 8.656 -5.309 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 45 10.853 -3.670 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 45 8.877 -2.916 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.720 -2.548 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.200 -4.261 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.383 -3.260 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.435 -0.769 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.177 -1.391 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.165 -1.188 -2.452 1.00 0.00 H new ATOM 646 N MET A 46 9.175 -4.509 0.302 1.00 0.00 N ATOM 647 CA MET A 46 9.166 -4.434 1.759 1.00 0.00 C ATOM 648 C MET A 46 10.419 -5.067 2.361 1.00 0.00 C ATOM 649 O MET A 46 10.938 -4.589 3.368 1.00 0.00 O ATOM 650 CB MET A 46 7.915 -5.116 2.319 1.00 0.00 C ATOM 651 CG MET A 46 6.729 -4.177 2.474 1.00 0.00 C ATOM 652 SD MET A 46 7.077 -2.792 3.574 1.00 0.00 S ATOM 653 CE MET A 46 5.476 -2.550 4.336 1.00 0.00 C ATOM 0 H MET A 46 8.542 -5.206 -0.091 1.00 0.00 H new ATOM 0 HA MET A 46 9.155 -3.380 2.035 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.634 -5.938 1.661 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.152 -5.552 3.289 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.443 -3.794 1.494 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.876 -4.736 2.859 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.531 -1.724 5.045 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.738 -2.320 3.567 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.182 -3.459 4.861 1.00 0.00 H new ATOM 663 N ARG A 47 10.897 -6.143 1.745 1.00 0.00 N ATOM 664 CA ARG A 47 12.086 -6.837 2.235 1.00 0.00 C ATOM 665 C ARG A 47 13.368 -6.184 1.725 1.00 0.00 C ATOM 666 O ARG A 47 14.425 -6.311 2.343 1.00 0.00 O ATOM 667 CB ARG A 47 12.053 -8.309 1.820 1.00 0.00 C ATOM 668 CG ARG A 47 10.932 -9.099 2.475 1.00 0.00 C ATOM 669 CD ARG A 47 10.483 -10.262 1.603 1.00 0.00 C ATOM 670 NE ARG A 47 11.051 -11.532 2.048 1.00 0.00 N ATOM 671 CZ ARG A 47 12.263 -11.966 1.708 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.042 -11.236 0.919 1.00 0.00 N ATOM 673 NH2 ARG A 47 12.699 -13.134 2.160 1.00 0.00 N ATOM 0 H ARG A 47 10.482 -6.554 0.908 1.00 0.00 H new ATOM 0 HA ARG A 47 12.081 -6.768 3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.945 -8.371 0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.008 -8.771 2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.268 -9.476 3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.086 -8.440 2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.395 -10.327 1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.778 -10.075 0.570 1.00 0.00 H new ATOM 0 HE ARG A 47 10.484 -12.123 2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.713 -10.336 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.969 -11.575 0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.106 -13.699 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.627 -13.467 1.900 1.00 0.00 H new ATOM 687 N MET A 48 13.276 -5.492 0.594 1.00 0.00 N ATOM 688 CA MET A 48 14.439 -4.832 0.011 1.00 0.00 C ATOM 689 C MET A 48 14.543 -3.375 0.460 1.00 0.00 C ATOM 690 O MET A 48 15.349 -2.613 -0.074 1.00 0.00 O ATOM 691 CB MET A 48 14.383 -4.902 -1.516 1.00 0.00 C ATOM 692 CG MET A 48 13.235 -4.111 -2.121 1.00 0.00 C ATOM 693 SD MET A 48 13.790 -2.869 -3.305 1.00 0.00 S ATOM 694 CE MET A 48 12.412 -1.725 -3.262 1.00 0.00 C ATOM 0 H MET A 48 12.412 -5.374 0.065 1.00 0.00 H new ATOM 0 HA MET A 48 15.325 -5.359 0.364 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.323 -4.530 -1.923 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.294 -5.945 -1.820 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.548 -4.797 -2.616 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.677 -3.622 -1.323 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.650 -0.846 -3.861 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.523 -2.210 -3.666 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.223 -1.421 -2.232 1.00 0.00 H new ATOM 704 N LEU A 49 13.728 -2.990 1.437 1.00 0.00 N ATOM 705 CA LEU A 49 13.743 -1.621 1.940 1.00 0.00 C ATOM 706 C LEU A 49 14.048 -1.587 3.434 1.00 0.00 C ATOM 707 O LEU A 49 14.827 -0.757 3.900 1.00 0.00 O ATOM 708 CB LEU A 49 12.405 -0.936 1.663 1.00 0.00 C ATOM 709 CG LEU A 49 12.266 -0.335 0.264 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.953 0.420 0.134 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.443 0.580 -0.042 1.00 0.00 C ATOM 0 H LEU A 49 13.053 -3.603 1.894 1.00 0.00 H new ATOM 0 HA LEU A 49 14.533 -1.082 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.605 -1.661 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.260 -0.145 2.398 1.00 0.00 H new ATOM 0 HG LEU A 49 12.265 -1.149 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.873 0.840 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.122 -0.263 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.922 1.225 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.328 0.999 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.475 1.388 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.370 0.009 0.007 1.00 0.00 H new ATOM 723 N GLY A 50 13.428 -2.495 4.182 1.00 0.00 N ATOM 724 CA GLY A 50 13.649 -2.547 5.616 1.00 0.00 C ATOM 725 C GLY A 50 12.639 -3.426 6.327 1.00 0.00 C ATOM 726 O GLY A 50 12.978 -4.117 7.288 1.00 0.00 O ATOM 0 H GLY A 50 12.778 -3.194 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.654 -2.921 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.599 -1.538 6.025 1.00 0.00 H new ATOM 730 N GLN A 51 11.398 -3.401 5.857 1.00 0.00 N ATOM 731 CA GLN A 51 10.338 -4.202 6.457 1.00 0.00 C ATOM 732 C GLN A 51 10.583 -5.688 6.219 1.00 0.00 C ATOM 733 O GLN A 51 11.308 -6.069 5.300 1.00 0.00 O ATOM 734 CB GLN A 51 8.977 -3.801 5.883 1.00 0.00 C ATOM 735 CG GLN A 51 7.852 -3.839 6.904 1.00 0.00 C ATOM 736 CD GLN A 51 7.838 -2.619 7.803 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.859 -2.249 8.383 1.00 0.00 O ATOM 738 NE2 GLN A 51 6.677 -1.984 7.922 1.00 0.00 N ATOM 0 H GLN A 51 11.101 -2.835 5.062 1.00 0.00 H new ATOM 0 HA GLN A 51 10.340 -4.016 7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.048 -2.795 5.470 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.730 -4.468 5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.897 -3.913 6.384 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.952 -4.735 7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.855 -2.325 7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.607 -1.155 8.512 1.00 0.00 H new ATOM 747 N ASN A 52 9.977 -6.525 7.054 1.00 0.00 N ATOM 748 CA ASN A 52 10.135 -7.968 6.929 1.00 0.00 C ATOM 749 C ASN A 52 8.842 -8.696 7.282 1.00 0.00 C ATOM 750 O ASN A 52 8.825 -9.572 8.147 1.00 0.00 O ATOM 751 CB ASN A 52 11.272 -8.455 7.824 1.00 0.00 C ATOM 752 CG ASN A 52 11.031 -8.144 9.287 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.045 -6.983 9.698 1.00 0.00 O ATOM 754 ND2 ASN A 52 10.808 -9.181 10.085 1.00 0.00 N ATOM 0 H ASN A 52 9.374 -6.230 7.822 1.00 0.00 H new ATOM 0 HA ASN A 52 10.378 -8.191 5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.393 -9.531 7.700 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.205 -7.990 7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.640 -9.032 11.080 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.805 -10.127 9.703 1.00 0.00 H new ATOM 761 N PRO A 53 7.736 -8.345 6.607 1.00 0.00 N ATOM 762 CA PRO A 53 6.432 -8.972 6.847 1.00 0.00 C ATOM 763 C PRO A 53 6.411 -10.431 6.404 1.00 0.00 C ATOM 764 O PRO A 53 6.411 -10.727 5.208 1.00 0.00 O ATOM 765 CB PRO A 53 5.474 -8.137 5.994 1.00 0.00 C ATOM 766 CG PRO A 53 6.330 -7.558 4.921 1.00 0.00 C ATOM 767 CD PRO A 53 7.671 -7.315 5.556 1.00 0.00 C ATOM 0 HA PRO A 53 6.171 -8.989 7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.677 -8.752 5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.997 -7.355 6.585 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.415 -8.242 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.904 -6.630 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.483 -7.422 4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.744 -6.310 5.972 1.00 0.00 H new ATOM 775 N THR A 54 6.396 -11.340 7.373 1.00 0.00 N ATOM 776 CA THR A 54 6.379 -12.771 7.083 1.00 0.00 C ATOM 777 C THR A 54 5.175 -13.140 6.221 1.00 0.00 C ATOM 778 O THR A 54 4.391 -12.277 5.830 1.00 0.00 O ATOM 779 CB THR A 54 6.356 -13.575 8.384 1.00 0.00 C ATOM 780 OG1 THR A 54 5.442 -13.009 9.307 1.00 0.00 O ATOM 781 CG2 THR A 54 7.706 -13.652 9.064 1.00 0.00 C ATOM 0 H THR A 54 6.395 -11.112 8.367 1.00 0.00 H new ATOM 0 HA THR A 54 7.286 -13.014 6.529 1.00 0.00 H new ATOM 0 HB THR A 54 6.054 -14.582 8.096 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.440 -13.538 10.132 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.619 -14.236 9.980 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.423 -14.129 8.396 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.049 -12.646 9.306 1.00 0.00 H new ATOM 789 N LYS A 55 5.036 -14.432 5.930 1.00 0.00 N ATOM 790 CA LYS A 55 3.927 -14.918 5.115 1.00 0.00 C ATOM 791 C LYS A 55 2.589 -14.479 5.701 1.00 0.00 C ATOM 792 O LYS A 55 1.791 -13.823 5.032 1.00 0.00 O ATOM 793 CB LYS A 55 3.976 -16.443 5.007 1.00 0.00 C ATOM 794 CG LYS A 55 4.741 -16.942 3.792 1.00 0.00 C ATOM 795 CD LYS A 55 3.811 -17.216 2.621 1.00 0.00 C ATOM 796 CE LYS A 55 3.838 -16.080 1.610 1.00 0.00 C ATOM 797 NZ LYS A 55 3.693 -16.575 0.214 1.00 0.00 N ATOM 0 H LYS A 55 5.677 -15.159 6.246 1.00 0.00 H new ATOM 0 HA LYS A 55 4.025 -14.488 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.437 -16.848 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.957 -16.829 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.486 -16.202 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.281 -17.853 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.103 -18.146 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.794 -17.354 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.034 -15.378 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.775 -15.532 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.716 -15.770 -0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.474 -17.225 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.787 -17.076 0.116 1.00 0.00 H new ATOM 811 N CYS A 56 2.351 -14.843 6.957 1.00 0.00 N ATOM 812 CA CYS A 56 1.112 -14.483 7.635 1.00 0.00 C ATOM 813 C CYS A 56 0.954 -12.967 7.697 1.00 0.00 C ATOM 814 O CYS A 56 -0.162 -12.447 7.673 1.00 0.00 O ATOM 815 CB CYS A 56 1.088 -15.068 9.048 1.00 0.00 C ATOM 816 SG CYS A 56 -0.567 -15.198 9.764 1.00 0.00 S ATOM 0 H CYS A 56 3.000 -15.387 7.525 1.00 0.00 H new ATOM 0 HA CYS A 56 0.280 -14.898 7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.542 -16.059 9.027 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.706 -14.447 9.697 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.485 -15.705 10.958 1.00 0.00 H new ATOM 822 N GLU A 57 2.081 -12.265 7.771 1.00 0.00 N ATOM 823 CA GLU A 57 2.073 -10.809 7.832 1.00 0.00 C ATOM 824 C GLU A 57 1.393 -10.218 6.602 1.00 0.00 C ATOM 825 O GLU A 57 0.342 -9.586 6.704 1.00 0.00 O ATOM 826 CB GLU A 57 3.505 -10.278 7.942 1.00 0.00 C ATOM 827 CG GLU A 57 3.682 -9.235 9.033 1.00 0.00 C ATOM 828 CD GLU A 57 3.163 -7.869 8.627 1.00 0.00 C ATOM 829 OE1 GLU A 57 2.955 -7.649 7.415 1.00 0.00 O ATOM 830 OE2 GLU A 57 2.965 -7.020 9.521 1.00 0.00 O ATOM 0 H GLU A 57 3.012 -12.682 7.790 1.00 0.00 H new ATOM 0 HA GLU A 57 1.510 -10.508 8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.180 -11.112 8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.798 -9.845 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.162 -9.564 9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.739 -9.157 9.287 1.00 0.00 H new ATOM 837 N LEU A 58 2.000 -10.432 5.440 1.00 0.00 N ATOM 838 CA LEU A 58 1.453 -9.922 4.188 1.00 0.00 C ATOM 839 C LEU A 58 0.075 -10.517 3.921 1.00 0.00 C ATOM 840 O LEU A 58 -0.837 -9.820 3.479 1.00 0.00 O ATOM 841 CB LEU A 58 2.399 -10.239 3.026 1.00 0.00 C ATOM 842 CG LEU A 58 3.864 -9.863 3.262 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.775 -10.669 2.350 1.00 0.00 C ATOM 844 CD2 LEU A 58 4.075 -8.371 3.044 1.00 0.00 C ATOM 0 H LEU A 58 2.870 -10.955 5.339 1.00 0.00 H new ATOM 0 HA LEU A 58 1.351 -8.840 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.344 -11.307 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.045 -9.718 2.137 1.00 0.00 H new ATOM 0 HG LEU A 58 4.117 -10.098 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.812 -10.388 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.646 -11.732 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.521 -10.465 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.122 -8.123 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.804 -8.111 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.450 -7.810 3.739 1.00 0.00 H new ATOM 856 N ASP A 59 -0.071 -11.809 4.200 1.00 0.00 N ATOM 857 CA ASP A 59 -1.342 -12.496 3.997 1.00 0.00 C ATOM 858 C ASP A 59 -2.407 -11.956 4.941 1.00 0.00 C ATOM 859 O ASP A 59 -3.602 -12.049 4.660 1.00 0.00 O ATOM 860 CB ASP A 59 -1.173 -14.002 4.205 1.00 0.00 C ATOM 861 CG ASP A 59 -2.077 -14.816 3.299 1.00 0.00 C ATOM 862 OD1 ASP A 59 -2.052 -14.583 2.073 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.810 -15.683 3.817 1.00 0.00 O ATOM 0 H ASP A 59 0.674 -12.401 4.567 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.665 -12.314 2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.135 -14.277 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.388 -14.249 5.245 1.00 0.00 H new ATOM 868 N ALA A 60 -1.971 -11.385 6.058 1.00 0.00 N ATOM 869 CA ALA A 60 -2.896 -10.828 7.030 1.00 0.00 C ATOM 870 C ALA A 60 -3.399 -9.463 6.578 1.00 0.00 C ATOM 871 O ALA A 60 -4.528 -9.075 6.881 1.00 0.00 O ATOM 872 CB ALA A 60 -2.236 -10.730 8.398 1.00 0.00 C ATOM 0 H ALA A 60 -0.986 -11.297 6.310 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.753 -11.497 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.943 -10.311 9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.932 -11.724 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.359 -10.085 8.334 1.00 0.00 H new ATOM 878 N ILE A 61 -2.557 -8.742 5.844 1.00 0.00 N ATOM 879 CA ILE A 61 -2.918 -7.426 5.343 1.00 0.00 C ATOM 880 C ILE A 61 -3.732 -7.550 4.057 1.00 0.00 C ATOM 881 O ILE A 61 -4.869 -7.081 3.987 1.00 0.00 O ATOM 882 CB ILE A 61 -1.660 -6.562 5.092 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.111 -6.033 6.419 1.00 0.00 C ATOM 884 CG2 ILE A 61 -1.966 -5.408 4.150 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.005 -6.888 7.000 1.00 0.00 C ATOM 0 H ILE A 61 -1.620 -9.050 5.584 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.526 -6.934 6.102 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.905 -7.191 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.736 -5.020 6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.926 -5.968 7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.063 -4.818 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.315 -5.801 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.740 -4.777 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.336 -6.453 7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.381 -7.895 7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.828 -6.932 6.298 1.00 0.00 H new ATOM 897 N ILE A 62 -3.149 -8.192 3.043 1.00 0.00 N ATOM 898 CA ILE A 62 -3.827 -8.384 1.761 1.00 0.00 C ATOM 899 C ILE A 62 -5.271 -8.836 1.968 1.00 0.00 C ATOM 900 O ILE A 62 -6.184 -8.360 1.294 1.00 0.00 O ATOM 901 CB ILE A 62 -3.093 -9.420 0.886 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.680 -8.927 0.564 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.875 -9.691 -0.397 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.930 -9.824 -0.396 1.00 0.00 C ATOM 0 H ILE A 62 -2.210 -8.587 3.085 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.820 -7.421 1.250 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.018 -10.356 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.742 -7.925 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.112 -8.846 1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.341 -10.425 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.863 -10.078 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.981 -8.764 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.063 -9.413 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.836 -10.821 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.475 -9.886 -1.338 1.00 0.00 H new ATOM 916 N CYS A 63 -5.467 -9.754 2.908 1.00 0.00 N ATOM 917 CA CYS A 63 -6.798 -10.266 3.209 1.00 0.00 C ATOM 918 C CYS A 63 -7.725 -9.127 3.619 1.00 0.00 C ATOM 919 O CYS A 63 -8.903 -9.110 3.264 1.00 0.00 O ATOM 920 CB CYS A 63 -6.724 -11.312 4.322 1.00 0.00 C ATOM 921 SG CYS A 63 -8.082 -12.506 4.303 1.00 0.00 S ATOM 0 H CYS A 63 -4.721 -10.158 3.474 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.200 -10.736 2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.780 -11.850 4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.716 -10.802 5.285 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.931 -13.351 5.280 1.00 0.00 H new ATOM 927 N GLU A 64 -7.177 -8.168 4.360 1.00 0.00 N ATOM 928 CA GLU A 64 -7.945 -7.014 4.809 1.00 0.00 C ATOM 929 C GLU A 64 -7.992 -5.954 3.713 1.00 0.00 C ATOM 930 O GLU A 64 -8.983 -5.240 3.566 1.00 0.00 O ATOM 931 CB GLU A 64 -7.333 -6.430 6.085 1.00 0.00 C ATOM 932 CG GLU A 64 -8.216 -6.593 7.312 1.00 0.00 C ATOM 933 CD GLU A 64 -8.641 -5.265 7.907 1.00 0.00 C ATOM 934 OE1 GLU A 64 -9.666 -4.712 7.455 1.00 0.00 O ATOM 935 OE2 GLU A 64 -7.950 -4.777 8.825 1.00 0.00 O ATOM 0 H GLU A 64 -6.203 -8.169 4.662 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.963 -7.337 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.373 -6.912 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.133 -5.370 5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.103 -7.166 7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.680 -7.170 8.066 1.00 0.00 H new ATOM 942 N VAL A 65 -6.912 -5.868 2.941 1.00 0.00 N ATOM 943 CA VAL A 65 -6.826 -4.907 1.849 1.00 0.00 C ATOM 944 C VAL A 65 -7.808 -5.264 0.739 1.00 0.00 C ATOM 945 O VAL A 65 -8.513 -4.402 0.216 1.00 0.00 O ATOM 946 CB VAL A 65 -5.401 -4.854 1.255 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.331 -3.846 0.117 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.376 -4.527 2.332 1.00 0.00 C ATOM 0 H VAL A 65 -6.084 -6.453 3.053 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.075 -3.930 2.262 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.164 -5.839 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.319 -3.824 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.030 -4.135 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.594 -2.856 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.380 -4.495 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.608 -3.558 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.404 -5.294 3.106 1.00 0.00 H new ATOM 958 N ASP A 66 -7.842 -6.543 0.385 1.00 0.00 N ATOM 959 CA ASP A 66 -8.729 -7.026 -0.665 1.00 0.00 C ATOM 960 C ASP A 66 -10.159 -7.168 -0.158 1.00 0.00 C ATOM 961 O ASP A 66 -10.408 -7.820 0.857 1.00 0.00 O ATOM 962 CB ASP A 66 -8.230 -8.372 -1.197 1.00 0.00 C ATOM 963 CG ASP A 66 -7.108 -8.213 -2.204 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.003 -7.793 -1.801 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.334 -8.507 -3.396 1.00 0.00 O ATOM 0 H ASP A 66 -7.263 -7.266 0.812 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.725 -6.293 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.883 -8.983 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.059 -8.906 -1.661 1.00 0.00 H new ATOM 970 N GLU A 67 -11.097 -6.558 -0.875 1.00 0.00 N ATOM 971 CA GLU A 67 -12.505 -6.618 -0.505 1.00 0.00 C ATOM 972 C GLU A 67 -13.319 -7.312 -1.594 1.00 0.00 C ATOM 973 O GLU A 67 -14.513 -7.056 -1.748 1.00 0.00 O ATOM 974 CB GLU A 67 -13.052 -5.210 -0.261 1.00 0.00 C ATOM 975 CG GLU A 67 -12.796 -4.693 1.145 1.00 0.00 C ATOM 976 CD GLU A 67 -13.382 -5.597 2.212 1.00 0.00 C ATOM 977 OE1 GLU A 67 -12.718 -6.590 2.579 1.00 0.00 O ATOM 978 OE2 GLU A 67 -14.504 -5.314 2.681 1.00 0.00 O ATOM 0 H GLU A 67 -10.906 -6.015 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.591 -7.195 0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.601 -4.525 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.126 -5.209 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.722 -4.598 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.222 -3.695 1.245 1.00 0.00 H new ATOM 985 N ASP A 68 -12.663 -8.191 -2.346 1.00 0.00 N ATOM 986 CA ASP A 68 -13.324 -8.920 -3.421 1.00 0.00 C ATOM 987 C ASP A 68 -12.693 -10.296 -3.621 1.00 0.00 C ATOM 988 O ASP A 68 -12.811 -10.892 -4.691 1.00 0.00 O ATOM 989 CB ASP A 68 -13.251 -8.121 -4.724 1.00 0.00 C ATOM 990 CG ASP A 68 -11.823 -7.902 -5.189 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.070 -7.195 -4.486 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.458 -8.439 -6.257 1.00 0.00 O ATOM 0 H ASP A 68 -11.675 -8.415 -2.230 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.368 -9.058 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.807 -8.646 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.736 -7.155 -4.583 1.00 0.00 H new ATOM 997 N GLY A 69 -12.022 -10.797 -2.585 1.00 0.00 N ATOM 998 CA GLY A 69 -11.384 -12.098 -2.673 1.00 0.00 C ATOM 999 C GLY A 69 -10.480 -12.224 -3.885 1.00 0.00 C ATOM 1000 O GLY A 69 -10.578 -13.189 -4.644 1.00 0.00 O ATOM 0 H GLY A 69 -11.910 -10.325 -1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.801 -12.274 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.150 -12.872 -2.714 1.00 0.00 H new ATOM 1004 N SER A 70 -9.601 -11.244 -4.069 1.00 0.00 N ATOM 1005 CA SER A 70 -8.679 -11.246 -5.198 1.00 0.00 C ATOM 1006 C SER A 70 -7.243 -11.478 -4.738 1.00 0.00 C ATOM 1007 O SER A 70 -6.417 -11.997 -5.488 1.00 0.00 O ATOM 1008 CB SER A 70 -8.772 -9.922 -5.962 1.00 0.00 C ATOM 1009 OG SER A 70 -9.125 -8.856 -5.096 1.00 0.00 O ATOM 0 H SER A 70 -9.508 -10.438 -3.450 1.00 0.00 H new ATOM 0 HA SER A 70 -8.963 -12.064 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.816 -9.706 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.512 -10.009 -6.757 1.00 0.00 H new ATOM 0 HG SER A 70 -8.313 -8.463 -4.713 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.949 -11.087 -3.502 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.608 -11.258 -2.970 1.00 0.00 C ATOM 1017 C GLY A 71 -4.607 -10.307 -3.601 1.00 0.00 C ATOM 1018 O GLY A 71 -3.402 -10.434 -3.385 1.00 0.00 O ATOM 0 H GLY A 71 -7.614 -10.655 -2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.625 -11.099 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.283 -12.285 -3.136 1.00 0.00 H new ATOM 1022 N THR A 72 -5.105 -9.349 -4.379 1.00 0.00 N ATOM 1023 CA THR A 72 -4.244 -8.375 -5.036 1.00 0.00 C ATOM 1024 C THR A 72 -4.626 -6.956 -4.629 1.00 0.00 C ATOM 1025 O THR A 72 -5.696 -6.728 -4.063 1.00 0.00 O ATOM 1026 CB THR A 72 -4.328 -8.526 -6.557 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.515 -7.936 -7.056 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.300 -9.966 -7.019 1.00 0.00 C ATOM 0 H THR A 72 -6.100 -9.228 -4.568 1.00 0.00 H new ATOM 0 HA THR A 72 -3.218 -8.562 -4.720 1.00 0.00 H new ATOM 0 HB THR A 72 -3.444 -8.021 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.549 -8.042 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.363 -10.000 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.371 -10.434 -6.694 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.146 -10.502 -6.589 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.742 -6.006 -4.912 1.00 0.00 N ATOM 1037 CA ILE A 73 -3.980 -4.611 -4.566 1.00 0.00 C ATOM 1038 C ILE A 73 -4.084 -3.733 -5.811 1.00 0.00 C ATOM 1039 O ILE A 73 -3.157 -3.666 -6.616 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.855 -4.071 -3.666 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.629 -5.007 -2.477 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.182 -2.664 -3.185 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.467 -4.597 -1.598 1.00 0.00 C ATOM 0 H ILE A 73 -2.853 -6.178 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.928 -4.575 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.936 -4.027 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.536 -5.041 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.455 -6.017 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.374 -2.300 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.295 -2.003 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.112 -2.681 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.365 -5.305 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.550 -4.591 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.648 -3.599 -1.198 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.218 -3.053 -5.955 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.444 -2.172 -7.096 1.00 0.00 C ATOM 1057 C ASP A 74 -4.619 -0.894 -6.967 1.00 0.00 C ATOM 1058 O ASP A 74 -3.726 -0.802 -6.125 1.00 0.00 O ATOM 1059 CB ASP A 74 -6.929 -1.828 -7.214 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.405 -1.810 -8.654 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.006 -2.711 -9.421 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.176 -0.895 -9.014 1.00 0.00 O ATOM 0 H ASP A 74 -5.995 -3.095 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.129 -2.696 -7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.514 -2.555 -6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.110 -0.853 -6.762 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.924 0.090 -7.808 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.209 1.361 -7.788 1.00 0.00 C ATOM 1069 C PHE A 75 -4.401 2.075 -6.451 1.00 0.00 C ATOM 1070 O PHE A 75 -3.547 1.997 -5.569 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.681 2.255 -8.937 1.00 0.00 C ATOM 1072 CG PHE A 75 -4.159 1.830 -10.280 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -4.821 0.863 -11.020 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -3.008 2.397 -10.802 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -4.344 0.469 -12.256 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.525 2.007 -12.037 1.00 0.00 C ATOM 1077 CZ PHE A 75 -3.194 1.042 -12.765 1.00 0.00 C ATOM 0 H PHE A 75 -5.661 0.031 -8.511 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.146 1.154 -7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.771 2.255 -8.963 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.367 3.280 -8.742 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.720 0.412 -10.626 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.482 3.153 -10.237 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.869 -0.285 -12.823 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.626 2.456 -12.432 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.819 0.736 -13.730 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.528 2.769 -6.305 1.00 0.00 N ATOM 1088 CA GLU A 76 -5.823 3.491 -5.071 1.00 0.00 C ATOM 1089 C GLU A 76 -5.870 2.539 -3.881 1.00 0.00 C ATOM 1090 O GLU A 76 -5.680 2.951 -2.737 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.151 4.245 -5.187 1.00 0.00 C ATOM 1092 CG GLU A 76 -8.247 3.455 -5.882 1.00 0.00 C ATOM 1093 CD GLU A 76 -8.405 3.837 -7.342 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -8.289 5.039 -7.656 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -8.645 2.932 -8.169 1.00 0.00 O ATOM 0 H GLU A 76 -6.248 2.846 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.022 4.212 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.491 4.519 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.984 5.174 -5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.023 2.391 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.192 3.618 -5.363 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.125 1.261 -4.155 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.194 0.255 -3.102 1.00 0.00 C ATOM 1104 C GLU A 77 -4.924 0.264 -2.255 1.00 0.00 C ATOM 1105 O GLU A 77 -4.948 -0.123 -1.087 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.421 -1.135 -3.704 1.00 0.00 C ATOM 1107 CG GLU A 77 -7.838 -1.653 -3.511 1.00 0.00 C ATOM 1108 CD GLU A 77 -7.991 -3.106 -3.921 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.027 -3.879 -3.738 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -9.074 -3.470 -4.426 1.00 0.00 O ATOM 0 H GLU A 77 -6.287 0.900 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.037 0.499 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.196 -1.102 -4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.721 -1.837 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.121 -1.543 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.527 -1.041 -4.093 1.00 0.00 H new ATOM 1117 N PHE A 78 -3.821 0.718 -2.848 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.544 0.788 -2.139 1.00 0.00 C ATOM 1119 C PHE A 78 -2.619 1.776 -0.975 1.00 0.00 C ATOM 1120 O PHE A 78 -1.766 1.769 -0.089 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.422 1.189 -3.100 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.053 1.074 -2.497 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.478 -0.166 -2.182 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.703 2.207 -2.240 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.737 -0.274 -1.620 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.961 2.104 -1.680 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.478 0.863 -1.369 1.00 0.00 C ATOM 0 H PHE A 78 -3.785 1.042 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.326 -0.201 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.473 0.561 -3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.582 2.217 -3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.098 -1.059 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.304 3.181 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.140 -1.246 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.540 2.995 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.461 0.782 -0.930 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.652 2.612 -0.971 1.00 0.00 N ATOM 1138 CA LEU A 79 -3.843 3.577 0.103 1.00 0.00 C ATOM 1139 C LEU A 79 -4.793 3.001 1.142 1.00 0.00 C ATOM 1140 O LEU A 79 -4.601 3.177 2.345 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.392 4.895 -0.447 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.515 5.573 -1.503 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.062 5.318 -2.898 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.412 7.068 -1.234 1.00 0.00 C ATOM 0 H LEU A 79 -4.367 2.640 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.880 3.780 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.375 4.709 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.534 5.586 0.384 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.515 5.144 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.425 5.808 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.081 4.245 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.074 5.717 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.785 7.532 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.407 7.512 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.971 7.231 -0.251 1.00 0.00 H new ATOM 1156 N VAL A 80 -5.813 2.293 0.662 1.00 0.00 N ATOM 1157 CA VAL A 80 -6.793 1.669 1.540 1.00 0.00 C ATOM 1158 C VAL A 80 -6.143 0.582 2.376 1.00 0.00 C ATOM 1159 O VAL A 80 -6.486 0.389 3.543 1.00 0.00 O ATOM 1160 CB VAL A 80 -7.951 1.047 0.742 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -9.053 0.582 1.682 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -8.487 2.035 -0.278 1.00 0.00 C ATOM 0 H VAL A 80 -5.980 2.138 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.187 2.453 2.187 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.575 0.178 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.865 0.144 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.654 -0.164 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.430 1.433 2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.306 1.577 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.850 2.926 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.691 2.312 -0.969 1.00 0.00 H new ATOM 1172 N MET A 81 -5.193 -0.125 1.772 1.00 0.00 N ATOM 1173 CA MET A 81 -4.482 -1.193 2.458 1.00 0.00 C ATOM 1174 C MET A 81 -3.990 -0.709 3.812 1.00 0.00 C ATOM 1175 O MET A 81 -4.051 -1.429 4.808 1.00 0.00 O ATOM 1176 CB MET A 81 -3.298 -1.667 1.615 1.00 0.00 C ATOM 1177 CG MET A 81 -2.597 -0.558 0.858 1.00 0.00 C ATOM 1178 SD MET A 81 -0.855 -0.906 0.582 1.00 0.00 S ATOM 1179 CE MET A 81 -0.337 -1.247 2.256 1.00 0.00 C ATOM 0 H MET A 81 -4.899 0.025 0.807 1.00 0.00 H new ATOM 0 HA MET A 81 -5.167 -2.028 2.606 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.577 -2.161 2.266 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.648 -2.414 0.903 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.091 -0.410 -0.102 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.694 0.375 1.414 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.673 -0.867 2.409 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.018 -0.759 2.954 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.350 -2.323 2.429 1.00 0.00 H new ATOM 1189 N MET A 82 -3.513 0.526 3.831 1.00 0.00 N ATOM 1190 CA MET A 82 -3.015 1.139 5.051 1.00 0.00 C ATOM 1191 C MET A 82 -4.152 1.809 5.817 1.00 0.00 C ATOM 1192 O MET A 82 -4.160 1.822 7.048 1.00 0.00 O ATOM 1193 CB MET A 82 -1.923 2.160 4.723 1.00 0.00 C ATOM 1194 CG MET A 82 -0.682 2.006 5.588 1.00 0.00 C ATOM 1195 SD MET A 82 0.466 3.386 5.421 1.00 0.00 S ATOM 1196 CE MET A 82 1.278 2.959 3.887 1.00 0.00 C ATOM 0 H MET A 82 -3.461 1.127 3.008 1.00 0.00 H new ATOM 0 HA MET A 82 -2.588 0.358 5.680 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.642 2.059 3.675 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.324 3.165 4.850 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.982 1.914 6.632 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.171 1.081 5.320 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.338 2.786 4.072 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.829 2.054 3.477 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.162 3.776 3.175 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.118 2.357 5.081 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.264 3.018 5.695 1.00 0.00 C ATOM 1208 C VAL A 83 -7.030 2.045 6.587 1.00 0.00 C ATOM 1209 O VAL A 83 -7.577 2.431 7.620 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.221 3.591 4.628 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.418 4.270 5.277 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.486 4.560 3.711 1.00 0.00 C ATOM 0 H VAL A 83 -5.128 2.355 4.061 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.880 3.841 6.298 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.590 2.761 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.076 4.665 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.963 3.546 5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.073 5.087 5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.178 4.952 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.082 5.383 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.671 4.039 3.209 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.061 0.780 6.180 1.00 0.00 N ATOM 1223 CA ARG A 84 -7.755 -0.253 6.938 1.00 0.00 C ATOM 1224 C ARG A 84 -6.989 -0.613 8.210 1.00 0.00 C ATOM 1225 O ARG A 84 -7.548 -1.199 9.136 1.00 0.00 O ATOM 1226 CB ARG A 84 -7.947 -1.502 6.076 1.00 0.00 C ATOM 1227 CG ARG A 84 -8.796 -1.260 4.837 1.00 0.00 C ATOM 1228 CD ARG A 84 -9.845 -2.346 4.653 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.203 -1.805 4.678 1.00 0.00 N ATOM 1230 CZ ARG A 84 -11.862 -1.508 5.796 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -11.295 -1.696 6.981 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.094 -1.022 5.728 1.00 0.00 N ATOM 0 H ARG A 84 -6.612 0.446 5.327 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.730 0.140 7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.970 -1.876 5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.412 -2.282 6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.287 -0.290 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.153 -1.222 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.676 -2.857 3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.737 -3.092 5.441 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.673 -1.646 3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.348 -2.070 7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.806 -1.466 7.833 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.535 -0.876 4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.600 -0.794 6.584 1.00 0.00 H new ATOM 1246 N GLN A 85 -5.706 -0.258 8.250 1.00 0.00 N ATOM 1247 CA GLN A 85 -4.872 -0.543 9.412 1.00 0.00 C ATOM 1248 C GLN A 85 -4.540 0.737 10.175 1.00 0.00 C ATOM 1249 O GLN A 85 -4.062 0.689 11.307 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.577 -1.241 8.984 1.00 0.00 C ATOM 1251 CG GLN A 85 -3.775 -2.297 7.908 1.00 0.00 C ATOM 1252 CD GLN A 85 -4.865 -3.292 8.259 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -4.988 -3.715 9.409 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -5.662 -3.670 7.267 1.00 0.00 N ATOM 0 H GLN A 85 -5.224 0.226 7.493 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.434 -1.205 10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -2.875 -0.491 8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.121 -1.707 9.857 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.024 -1.808 6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.838 -2.831 7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.523 -3.293 6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.413 -4.337 7.442 1.00 0.00 H new ATOM 1263 N MET A 86 -4.796 1.882 9.546 1.00 0.00 N ATOM 1264 CA MET A 86 -4.521 3.171 10.164 1.00 0.00 C ATOM 1265 C MET A 86 -5.701 3.631 11.014 1.00 0.00 C ATOM 1266 O MET A 86 -5.518 4.166 12.108 1.00 0.00 O ATOM 1267 CB MET A 86 -4.206 4.211 9.089 1.00 0.00 C ATOM 1268 CG MET A 86 -2.733 4.267 8.717 1.00 0.00 C ATOM 1269 SD MET A 86 -2.260 5.840 7.973 1.00 0.00 S ATOM 1270 CE MET A 86 -1.857 5.310 6.310 1.00 0.00 C ATOM 0 H MET A 86 -5.194 1.940 8.608 1.00 0.00 H new ATOM 0 HA MET A 86 -3.655 3.061 10.817 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.790 3.989 8.196 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.522 5.193 9.440 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.131 4.097 9.609 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.508 3.459 8.021 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.347 6.117 5.785 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.206 4.437 6.354 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.773 5.053 5.778 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.912 3.415 10.508 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.119 3.806 11.228 1.00 0.00 C ATOM 1282 C LYS A 87 -8.320 2.932 12.464 1.00 0.00 C ATOM 1283 O LYS A 87 -9.259 2.139 12.530 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.340 3.704 10.313 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.615 4.971 9.520 1.00 0.00 C ATOM 1286 CD LYS A 87 -9.870 4.666 8.054 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.135 3.842 7.869 1.00 0.00 C ATOM 1288 NZ LYS A 87 -11.860 4.206 6.621 1.00 0.00 N ATOM 0 H LYS A 87 -7.083 2.973 9.605 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.002 4.841 11.550 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.195 2.876 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.216 3.466 10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.479 5.485 9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.766 5.649 9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.957 5.599 7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.019 4.126 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.877 2.783 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.792 3.989 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.697 3.598 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.159 5.201 6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.231 4.074 5.803 1.00 0.00 H new ATOM 1384 N SER B 117 1.742 2.713 10.188 1.00 0.00 N ATOM 1385 CA SER B 117 2.914 3.556 9.985 1.00 0.00 C ATOM 1386 C SER B 117 3.869 2.938 8.972 1.00 0.00 C ATOM 1387 O SER B 117 5.066 2.799 9.231 1.00 0.00 O ATOM 1388 CB SER B 117 3.635 3.794 11.312 1.00 0.00 C ATOM 1389 OG SER B 117 4.463 2.695 11.648 1.00 0.00 O ATOM 0 HA SER B 117 2.574 4.513 9.590 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.238 4.700 11.244 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.903 3.957 12.103 1.00 0.00 H new ATOM 0 HG SER B 117 5.182 2.613 10.987 1.00 0.00 H new ATOM 1395 N ALA B 118 3.337 2.585 7.807 1.00 0.00 N ATOM 1396 CA ALA B 118 4.145 2.003 6.745 1.00 0.00 C ATOM 1397 C ALA B 118 4.883 3.093 5.969 1.00 0.00 C ATOM 1398 O ALA B 118 5.640 2.803 5.044 1.00 0.00 O ATOM 1399 CB ALA B 118 3.272 1.179 5.810 1.00 0.00 C ATOM 0 H ALA B 118 2.349 2.692 7.575 1.00 0.00 H new ATOM 0 HA ALA B 118 4.888 1.346 7.197 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.889 0.750 5.021 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.792 0.378 6.372 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.509 1.819 5.367 1.00 0.00 H new ATOM 1405 N ASP B 119 4.654 4.351 6.358 1.00 0.00 N ATOM 1406 CA ASP B 119 5.288 5.494 5.709 1.00 0.00 C ATOM 1407 C ASP B 119 6.771 5.241 5.455 1.00 0.00 C ATOM 1408 O ASP B 119 7.348 5.780 4.510 1.00 0.00 O ATOM 1409 CB ASP B 119 5.111 6.749 6.565 1.00 0.00 C ATOM 1410 CG ASP B 119 5.641 7.994 5.882 1.00 0.00 C ATOM 1411 OD1 ASP B 119 5.356 8.178 4.680 1.00 0.00 O ATOM 1412 OD2 ASP B 119 6.341 8.785 6.549 1.00 0.00 O ATOM 0 H ASP B 119 4.029 4.601 7.125 1.00 0.00 H new ATOM 0 HA ASP B 119 4.802 5.642 4.744 1.00 0.00 H new ATOM 0 HB2 ASP B 119 4.054 6.885 6.792 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.626 6.612 7.516 1.00 0.00 H new ATOM 1417 N ALA B 120 7.386 4.420 6.303 1.00 0.00 N ATOM 1418 CA ALA B 120 8.803 4.101 6.159 1.00 0.00 C ATOM 1419 C ALA B 120 9.117 3.645 4.738 1.00 0.00 C ATOM 1420 O ALA B 120 9.762 4.365 3.976 1.00 0.00 O ATOM 1421 CB ALA B 120 9.214 3.036 7.165 1.00 0.00 C ATOM 0 H ALA B 120 6.928 3.966 7.093 1.00 0.00 H new ATOM 0 HA ALA B 120 9.377 5.006 6.358 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.273 2.810 7.044 1.00 0.00 H new ATOM 0 HB2 ALA B 120 9.035 3.402 8.176 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.629 2.132 6.997 1.00 0.00 H new ATOM 1427 N MET B 121 8.646 2.454 4.378 1.00 0.00 N ATOM 1428 CA MET B 121 8.870 1.927 3.037 1.00 0.00 C ATOM 1429 C MET B 121 8.380 2.929 1.999 1.00 0.00 C ATOM 1430 O MET B 121 8.934 3.035 0.905 1.00 0.00 O ATOM 1431 CB MET B 121 8.150 0.590 2.855 1.00 0.00 C ATOM 1432 CG MET B 121 8.241 0.033 1.441 1.00 0.00 C ATOM 1433 SD MET B 121 6.728 -0.796 0.920 1.00 0.00 S ATOM 1434 CE MET B 121 5.518 0.490 1.213 1.00 0.00 C ATOM 0 H MET B 121 8.111 1.840 4.992 1.00 0.00 H new ATOM 0 HA MET B 121 9.939 1.763 2.902 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.571 -0.137 3.550 1.00 0.00 H new ATOM 0 HB3 MET B 121 7.100 0.714 3.120 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.462 0.845 0.749 1.00 0.00 H new ATOM 0 HG3 MET B 121 9.073 -0.669 1.385 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.583 0.230 0.716 1.00 0.00 H new ATOM 0 HE2 MET B 121 5.344 0.589 2.285 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.889 1.435 0.817 1.00 0.00 H new ATOM 1444 N LEU B 122 7.341 3.669 2.362 1.00 0.00 N ATOM 1445 CA LEU B 122 6.773 4.675 1.480 1.00 0.00 C ATOM 1446 C LEU B 122 7.787 5.785 1.227 1.00 0.00 C ATOM 1447 O LEU B 122 7.880 6.315 0.121 1.00 0.00 O ATOM 1448 CB LEU B 122 5.500 5.257 2.099 1.00 0.00 C ATOM 1449 CG LEU B 122 4.215 4.461 1.847 1.00 0.00 C ATOM 1450 CD1 LEU B 122 4.287 3.089 2.505 1.00 0.00 C ATOM 1451 CD2 LEU B 122 3.010 5.236 2.361 1.00 0.00 C ATOM 0 H LEU B 122 6.874 3.590 3.265 1.00 0.00 H new ATOM 0 HA LEU B 122 6.521 4.207 0.529 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.648 5.342 3.176 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.361 6.268 1.715 1.00 0.00 H new ATOM 0 HG LEU B 122 4.107 4.314 0.772 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.363 2.544 2.312 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.130 2.532 2.095 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.420 3.208 3.580 1.00 0.00 H new ATOM 0 HD21 LEU B 122 2.102 4.661 2.177 1.00 0.00 H new ATOM 0 HD22 LEU B 122 3.119 5.410 3.432 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.945 6.193 1.843 1.00 0.00 H new ATOM 1463 N ARG B 123 8.551 6.127 2.261 1.00 0.00 N ATOM 1464 CA ARG B 123 9.567 7.168 2.148 1.00 0.00 C ATOM 1465 C ARG B 123 10.915 6.581 1.727 1.00 0.00 C ATOM 1466 O ARG B 123 11.928 7.279 1.719 1.00 0.00 O ATOM 1467 CB ARG B 123 9.715 7.909 3.478 1.00 0.00 C ATOM 1468 CG ARG B 123 10.498 9.207 3.368 1.00 0.00 C ATOM 1469 CD ARG B 123 11.867 9.093 4.019 1.00 0.00 C ATOM 1470 NE ARG B 123 12.771 10.156 3.587 1.00 0.00 N ATOM 1471 CZ ARG B 123 14.095 10.101 3.712 1.00 0.00 C ATOM 1472 NH1 ARG B 123 14.674 9.039 4.255 1.00 0.00 N ATOM 1473 NH2 ARG B 123 14.842 11.114 3.292 1.00 0.00 N ATOM 0 H ARG B 123 8.486 5.699 3.185 1.00 0.00 H new ATOM 0 HA ARG B 123 9.244 7.870 1.379 1.00 0.00 H new ATOM 0 HB2 ARG B 123 8.724 8.125 3.876 1.00 0.00 H new ATOM 0 HB3 ARG B 123 10.211 7.255 4.195 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.615 9.474 2.318 1.00 0.00 H new ATOM 0 HG3 ARG B 123 9.936 10.013 3.841 1.00 0.00 H new ATOM 0 HD2 ARG B 123 11.757 9.130 5.103 1.00 0.00 H new ATOM 0 HD3 ARG B 123 12.304 8.125 3.776 1.00 0.00 H new ATOM 0 HE ARG B 123 12.363 10.990 3.164 1.00 0.00 H new ATOM 0 HH11 ARG B 123 14.104 8.258 4.580 1.00 0.00 H new ATOM 0 HH12 ARG B 123 15.689 9.003 4.348 1.00 0.00 H new ATOM 0 HH21 ARG B 123 14.401 11.934 2.874 1.00 0.00 H new ATOM 0 HH22 ARG B 123 15.857 11.073 3.387 1.00 0.00 H new ATOM 1487 N ALA B 124 10.923 5.294 1.382 1.00 0.00 N ATOM 1488 CA ALA B 124 12.149 4.621 0.969 1.00 0.00 C ATOM 1489 C ALA B 124 12.526 4.974 -0.466 1.00 0.00 C ATOM 1490 O ALA B 124 13.439 5.765 -0.702 1.00 0.00 O ATOM 1491 CB ALA B 124 11.996 3.113 1.117 1.00 0.00 C ATOM 0 H ALA B 124 10.094 4.699 1.381 1.00 0.00 H new ATOM 0 HA ALA B 124 12.953 4.966 1.619 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.918 2.621 0.806 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.789 2.869 2.159 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.172 2.768 0.493 1.00 0.00 H new ATOM 1497 N LEU B 125 11.823 4.374 -1.420 1.00 0.00 N ATOM 1498 CA LEU B 125 12.089 4.612 -2.834 1.00 0.00 C ATOM 1499 C LEU B 125 11.522 5.954 -3.298 1.00 0.00 C ATOM 1500 O LEU B 125 11.761 6.375 -4.429 1.00 0.00 O ATOM 1501 CB LEU B 125 11.505 3.476 -3.670 1.00 0.00 C ATOM 1502 CG LEU B 125 11.918 2.076 -3.216 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.870 1.050 -3.614 1.00 0.00 C ATOM 1504 CD2 LEU B 125 13.276 1.707 -3.793 1.00 0.00 C ATOM 0 H LEU B 125 11.063 3.718 -1.239 1.00 0.00 H new ATOM 0 HA LEU B 125 13.170 4.646 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.418 3.546 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.810 3.612 -4.708 1.00 0.00 H new ATOM 0 HG LEU B 125 11.996 2.078 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU B 125 11.184 0.061 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.917 1.304 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.755 1.049 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.554 0.707 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.226 1.725 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU B 125 14.023 2.424 -3.452 1.00 0.00 H new