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 173:sc= -4.22! (180deg=-1.61) USER MOD Set 1.2: A 82 MET CE :methyl 160:sc= -6.55! (180deg=-4.49!) USER MOD Set 1.3: A 86 MET CE :methyl -168:sc= -8.27! (180deg=-6.76!) USER MOD Set 2.1: A 46 MET CE :methyl 180:sc= -0.153 (180deg=-0.153) USER MOD Set 2.2: A 51 GLN : amide:sc= -1.79 K(o=-1.9,f=-3.9) USER MOD Set 3.1: A 38 SER OG : rot 54:sc= 0.478 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 6 GLN : amide:sc= -2.51 K(o=-2.5,f=-12!) USER MOD Single : A 7 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.1!) USER MOD Single : A 15 SER OG : rot 91:sc= 0.0574 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -167:sc= -0.825 (180deg=-1.2) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -0.0299 (180deg=-0.266) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 164:sc= -11.2! (180deg=-11.5!) USER MOD Single : A 52 ASN : amide:sc= -0.888 K(o=-0.89,f=-3.8!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.126 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 58:sc= 0.0709 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -141:sc= -1.46 (180deg=-5.82!) USER MOD Single : A 85 GLN : amide:sc= 0.51 K(o=0.51,f=-0.37) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 0.00267 (180deg=-0.0694) USER MOD Single : B 117 SER OG : rot -29:sc= 0.566 USER MOD Single : B 121 MET CE :methyl 135:sc= -3.09! (180deg=-6.25!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.670 3.212 -1.546 1.00 0.00 N ATOM 68 CA GLN A 6 -13.700 3.192 -0.454 1.00 0.00 C ATOM 69 C GLN A 6 -12.285 3.483 -0.952 1.00 0.00 C ATOM 70 O GLN A 6 -11.451 3.995 -0.205 1.00 0.00 O ATOM 71 CB GLN A 6 -13.731 1.837 0.255 1.00 0.00 C ATOM 72 CG GLN A 6 -13.297 0.678 -0.627 1.00 0.00 C ATOM 73 CD GLN A 6 -13.224 -0.635 0.127 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.218 -0.940 0.767 1.00 0.00 O ATOM 75 NE2 GLN A 6 -14.293 -1.419 0.057 1.00 0.00 N ATOM 0 HA GLN A 6 -13.978 3.977 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.082 1.879 1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.742 1.649 0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.996 0.577 -1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.320 0.900 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.106 -1.126 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.302 -2.314 0.546 1.00 0.00 H new ATOM 84 N GLN A 7 -12.018 3.158 -2.213 1.00 0.00 N ATOM 85 CA GLN A 7 -10.696 3.394 -2.795 1.00 0.00 C ATOM 86 C GLN A 7 -10.464 4.880 -3.045 1.00 0.00 C ATOM 87 O GLN A 7 -9.336 5.311 -3.276 1.00 0.00 O ATOM 88 CB GLN A 7 -10.518 2.618 -4.106 1.00 0.00 C ATOM 89 CG GLN A 7 -11.322 1.329 -4.185 1.00 0.00 C ATOM 90 CD GLN A 7 -12.516 1.442 -5.111 1.00 0.00 C ATOM 91 OE1 GLN A 7 -12.889 2.538 -5.531 1.00 0.00 O ATOM 92 NE2 GLN A 7 -13.124 0.307 -5.436 1.00 0.00 N ATOM 0 H GLN A 7 -12.692 2.733 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.960 3.037 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.804 3.262 -4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.462 2.382 -4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.675 0.522 -4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.666 1.058 -3.187 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.782 -0.579 -5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.933 0.322 -6.056 1.00 0.00 H new ATOM 101 N ALA A 8 -11.536 5.662 -2.999 1.00 0.00 N ATOM 102 CA ALA A 8 -11.439 7.097 -3.223 1.00 0.00 C ATOM 103 C ALA A 8 -11.198 7.839 -1.915 1.00 0.00 C ATOM 104 O ALA A 8 -10.299 8.674 -1.820 1.00 0.00 O ATOM 105 CB ALA A 8 -12.698 7.613 -3.904 1.00 0.00 C ATOM 0 H ALA A 8 -12.480 5.326 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.587 7.282 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.610 8.688 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.824 7.112 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.563 7.410 -3.272 1.00 0.00 H new ATOM 111 N GLU A 9 -12.002 7.524 -0.902 1.00 0.00 N ATOM 112 CA GLU A 9 -11.866 8.159 0.404 1.00 0.00 C ATOM 113 C GLU A 9 -10.460 7.949 0.946 1.00 0.00 C ATOM 114 O GLU A 9 -9.859 8.857 1.518 1.00 0.00 O ATOM 115 CB GLU A 9 -12.897 7.597 1.384 1.00 0.00 C ATOM 116 CG GLU A 9 -14.309 7.556 0.826 1.00 0.00 C ATOM 117 CD GLU A 9 -15.349 7.998 1.838 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.269 7.556 3.003 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.243 8.787 1.465 1.00 0.00 O ATOM 0 H GLU A 9 -12.752 6.835 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.044 9.228 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.600 6.589 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.891 8.202 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.367 8.198 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.536 6.542 0.496 1.00 0.00 H new ATOM 126 N ALA A 10 -9.939 6.741 0.749 1.00 0.00 N ATOM 127 CA ALA A 10 -8.599 6.387 1.195 1.00 0.00 C ATOM 128 C ALA A 10 -7.596 7.490 0.867 1.00 0.00 C ATOM 129 O ALA A 10 -6.886 7.980 1.746 1.00 0.00 O ATOM 130 CB ALA A 10 -8.177 5.082 0.543 1.00 0.00 C ATOM 0 H ALA A 10 -10.434 5.984 0.277 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.616 6.266 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.174 4.816 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.874 4.293 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.180 5.199 -0.541 1.00 0.00 H new ATOM 136 N ARG A 11 -7.549 7.877 -0.404 1.00 0.00 N ATOM 137 CA ARG A 11 -6.639 8.925 -0.853 1.00 0.00 C ATOM 138 C ARG A 11 -6.834 10.198 -0.034 1.00 0.00 C ATOM 139 O ARG A 11 -5.910 10.996 0.122 1.00 0.00 O ATOM 140 CB ARG A 11 -6.863 9.219 -2.338 1.00 0.00 C ATOM 141 CG ARG A 11 -5.602 9.651 -3.069 1.00 0.00 C ATOM 142 CD ARG A 11 -5.525 9.042 -4.459 1.00 0.00 C ATOM 143 NE ARG A 11 -4.842 9.922 -5.405 1.00 0.00 N ATOM 144 CZ ARG A 11 -4.908 9.782 -6.728 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.625 8.802 -7.263 1.00 0.00 N ATOM 146 NH2 ARG A 11 -4.255 10.625 -7.516 1.00 0.00 N ATOM 0 H ARG A 11 -8.131 7.480 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.617 8.575 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.265 8.328 -2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.616 10.001 -2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.579 10.738 -3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.726 9.354 -2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.001 8.088 -4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.532 8.834 -4.820 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.282 10.688 -5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.129 8.151 -6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.672 8.699 -8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.703 11.380 -7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.305 10.519 -8.529 1.00 0.00 H new ATOM 160 N ALA A 12 -8.042 10.376 0.489 1.00 0.00 N ATOM 161 CA ALA A 12 -8.363 11.545 1.296 1.00 0.00 C ATOM 162 C ALA A 12 -8.218 11.245 2.787 1.00 0.00 C ATOM 163 O ALA A 12 -8.089 12.158 3.601 1.00 0.00 O ATOM 164 CB ALA A 12 -9.775 12.024 0.989 1.00 0.00 C ATOM 0 H ALA A 12 -8.816 9.723 0.367 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.656 12.335 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.003 12.898 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.848 12.288 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.486 11.229 1.214 1.00 0.00 H new ATOM 170 N PHE A 13 -8.244 9.962 3.137 1.00 0.00 N ATOM 171 CA PHE A 13 -8.118 9.550 4.530 1.00 0.00 C ATOM 172 C PHE A 13 -6.701 9.787 5.053 1.00 0.00 C ATOM 173 O PHE A 13 -6.456 9.709 6.257 1.00 0.00 O ATOM 174 CB PHE A 13 -8.491 8.075 4.680 1.00 0.00 C ATOM 175 CG PHE A 13 -9.934 7.855 5.039 1.00 0.00 C ATOM 176 CD1 PHE A 13 -10.938 8.530 4.364 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.284 6.976 6.051 1.00 0.00 C ATOM 178 CE1 PHE A 13 -12.266 8.331 4.691 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.610 6.773 6.382 1.00 0.00 C ATOM 180 CZ PHE A 13 -12.603 7.451 5.702 1.00 0.00 C ATOM 0 H PHE A 13 -8.351 9.192 2.476 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.804 10.156 5.122 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.274 7.557 3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.861 7.625 5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.680 9.219 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -9.512 6.444 6.587 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -13.040 8.863 4.157 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -11.870 6.084 7.172 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.640 7.294 5.960 1.00 0.00 H new ATOM 190 N LEU A 14 -5.771 10.074 4.146 1.00 0.00 N ATOM 191 CA LEU A 14 -4.384 10.319 4.526 1.00 0.00 C ATOM 192 C LEU A 14 -3.893 11.651 3.973 1.00 0.00 C ATOM 193 O LEU A 14 -4.493 12.216 3.059 1.00 0.00 O ATOM 194 CB LEU A 14 -3.488 9.186 4.023 1.00 0.00 C ATOM 195 CG LEU A 14 -3.999 7.777 4.325 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.435 6.778 3.325 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.637 7.375 5.747 1.00 0.00 C ATOM 0 H LEU A 14 -5.953 10.142 3.145 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.335 10.358 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.368 9.289 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.499 9.301 4.467 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.085 7.776 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.810 5.781 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.744 7.057 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.347 6.779 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.008 6.370 5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.554 7.392 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.090 8.075 6.449 1.00 0.00 H new ATOM 209 N SER A 15 -2.792 12.145 4.531 1.00 0.00 N ATOM 210 CA SER A 15 -2.213 13.409 4.092 1.00 0.00 C ATOM 211 C SER A 15 -1.524 13.245 2.744 1.00 0.00 C ATOM 212 O SER A 15 -1.068 12.155 2.402 1.00 0.00 O ATOM 213 CB SER A 15 -1.203 13.918 5.125 1.00 0.00 C ATOM 214 OG SER A 15 -1.435 13.333 6.396 1.00 0.00 O ATOM 0 H SER A 15 -2.283 11.689 5.288 1.00 0.00 H new ATOM 0 HA SER A 15 -3.020 14.134 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.191 13.686 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.272 15.003 5.202 1.00 0.00 H new ATOM 0 HG SER A 15 -0.907 12.511 6.479 1.00 0.00 H new ATOM 220 N GLU A 16 -1.433 14.335 1.987 1.00 0.00 N ATOM 221 CA GLU A 16 -0.776 14.301 0.684 1.00 0.00 C ATOM 222 C GLU A 16 0.592 13.638 0.806 1.00 0.00 C ATOM 223 O GLU A 16 1.094 13.034 -0.141 1.00 0.00 O ATOM 224 CB GLU A 16 -0.628 15.716 0.123 1.00 0.00 C ATOM 225 CG GLU A 16 -1.812 16.166 -0.717 1.00 0.00 C ATOM 226 CD GLU A 16 -2.224 17.595 -0.427 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.359 18.386 0.006 1.00 0.00 O ATOM 228 OE2 GLU A 16 -3.410 17.926 -0.634 1.00 0.00 O ATOM 0 H GLU A 16 -1.804 15.248 2.251 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.392 13.719 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.494 16.413 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.276 15.764 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.560 16.072 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.657 15.503 -0.531 1.00 0.00 H new ATOM 235 N GLU A 17 1.179 13.751 1.994 1.00 0.00 N ATOM 236 CA GLU A 17 2.480 13.163 2.275 1.00 0.00 C ATOM 237 C GLU A 17 2.420 11.643 2.139 1.00 0.00 C ATOM 238 O GLU A 17 3.264 11.034 1.484 1.00 0.00 O ATOM 239 CB GLU A 17 2.922 13.551 3.690 1.00 0.00 C ATOM 240 CG GLU A 17 4.151 12.800 4.181 1.00 0.00 C ATOM 241 CD GLU A 17 5.116 13.692 4.937 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.736 14.200 6.013 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.252 13.882 4.454 1.00 0.00 O ATOM 0 H GLU A 17 0.767 14.250 2.783 1.00 0.00 H new ATOM 0 HA GLU A 17 3.205 13.543 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.128 14.621 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.098 13.369 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.837 11.980 4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.665 12.355 3.329 1.00 0.00 H new ATOM 250 N MET A 18 1.414 11.040 2.767 1.00 0.00 N ATOM 251 CA MET A 18 1.237 9.594 2.721 1.00 0.00 C ATOM 252 C MET A 18 0.906 9.119 1.306 1.00 0.00 C ATOM 253 O MET A 18 1.011 7.931 1.003 1.00 0.00 O ATOM 254 CB MET A 18 0.128 9.168 3.687 1.00 0.00 C ATOM 255 CG MET A 18 0.413 7.857 4.404 1.00 0.00 C ATOM 256 SD MET A 18 1.426 8.076 5.881 1.00 0.00 S ATOM 257 CE MET A 18 1.011 6.596 6.803 1.00 0.00 C ATOM 0 H MET A 18 0.708 11.533 3.314 1.00 0.00 H new ATOM 0 HA MET A 18 2.177 9.132 3.023 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.017 9.953 4.429 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.807 9.074 3.135 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.530 7.387 4.682 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.919 7.176 3.720 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.650 6.524 7.683 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.032 6.642 7.115 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.163 5.720 6.172 1.00 0.00 H new ATOM 267 N ILE A 19 0.506 10.052 0.443 1.00 0.00 N ATOM 268 CA ILE A 19 0.164 9.719 -0.936 1.00 0.00 C ATOM 269 C ILE A 19 1.413 9.684 -1.813 1.00 0.00 C ATOM 270 O ILE A 19 1.772 8.641 -2.358 1.00 0.00 O ATOM 271 CB ILE A 19 -0.847 10.731 -1.522 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.222 10.535 -0.882 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.939 10.591 -3.037 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.243 11.563 -1.318 1.00 0.00 C ATOM 0 H ILE A 19 0.412 11.041 0.675 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.294 8.730 -0.926 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.495 11.738 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.591 9.540 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.118 10.575 0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.656 11.313 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.040 10.777 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.266 9.582 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.194 11.363 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.896 12.559 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.376 11.508 -2.399 1.00 0.00 H new ATOM 286 N ALA A 20 2.067 10.834 -1.943 1.00 0.00 N ATOM 287 CA ALA A 20 3.276 10.943 -2.752 1.00 0.00 C ATOM 288 C ALA A 20 4.297 9.875 -2.368 1.00 0.00 C ATOM 289 O ALA A 20 5.144 9.494 -3.176 1.00 0.00 O ATOM 290 CB ALA A 20 3.874 12.332 -2.606 1.00 0.00 C ATOM 0 H ALA A 20 1.779 11.705 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 20 3.006 10.781 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.776 12.405 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.151 13.076 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.124 12.512 -1.561 1.00 0.00 H new ATOM 296 N GLU A 21 4.205 9.391 -1.134 1.00 0.00 N ATOM 297 CA GLU A 21 5.110 8.364 -0.645 1.00 0.00 C ATOM 298 C GLU A 21 4.573 6.981 -0.989 1.00 0.00 C ATOM 299 O GLU A 21 5.337 6.054 -1.254 1.00 0.00 O ATOM 300 CB GLU A 21 5.296 8.496 0.867 1.00 0.00 C ATOM 301 CG GLU A 21 5.825 9.853 1.299 1.00 0.00 C ATOM 302 CD GLU A 21 5.591 10.129 2.771 1.00 0.00 C ATOM 303 OE1 GLU A 21 4.492 9.803 3.269 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.506 10.670 3.426 1.00 0.00 O ATOM 0 H GLU A 21 3.509 9.697 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 21 6.078 8.495 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.341 8.314 1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.983 7.722 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.893 9.906 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.344 10.631 0.706 1.00 0.00 H new ATOM 311 N PHE A 22 3.249 6.853 -0.995 1.00 0.00 N ATOM 312 CA PHE A 22 2.609 5.586 -1.323 1.00 0.00 C ATOM 313 C PHE A 22 2.957 5.181 -2.749 1.00 0.00 C ATOM 314 O PHE A 22 3.093 3.997 -3.057 1.00 0.00 O ATOM 315 CB PHE A 22 1.091 5.691 -1.159 1.00 0.00 C ATOM 316 CG PHE A 22 0.525 4.712 -0.169 1.00 0.00 C ATOM 317 CD1 PHE A 22 1.004 3.412 -0.110 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.483 5.091 0.702 1.00 0.00 C ATOM 319 CE1 PHE A 22 0.488 2.510 0.800 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.003 4.193 1.613 1.00 0.00 C ATOM 321 CZ PHE A 22 -0.517 2.900 1.662 1.00 0.00 C ATOM 0 H PHE A 22 2.601 7.610 -0.777 1.00 0.00 H new ATOM 0 HA PHE A 22 2.977 4.823 -0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.837 6.703 -0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.617 5.531 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.789 3.101 -0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.867 6.100 0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.871 1.501 0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.789 4.501 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.923 2.196 2.373 1.00 0.00 H new ATOM 331 N LYS A 23 3.112 6.179 -3.611 1.00 0.00 N ATOM 332 CA LYS A 23 3.461 5.941 -5.004 1.00 0.00 C ATOM 333 C LYS A 23 4.938 5.571 -5.133 1.00 0.00 C ATOM 334 O LYS A 23 5.383 5.113 -6.185 1.00 0.00 O ATOM 335 CB LYS A 23 3.156 7.183 -5.845 1.00 0.00 C ATOM 336 CG LYS A 23 2.904 6.876 -7.313 1.00 0.00 C ATOM 337 CD LYS A 23 1.497 6.344 -7.540 1.00 0.00 C ATOM 338 CE LYS A 23 0.674 7.289 -8.402 1.00 0.00 C ATOM 339 NZ LYS A 23 0.607 6.833 -9.818 1.00 0.00 N ATOM 0 H LYS A 23 3.001 7.163 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 23 2.861 5.108 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.281 7.686 -5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.991 7.879 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.052 7.779 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.631 6.143 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.550 5.366 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.002 6.202 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.335 7.364 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.109 8.288 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.037 7.504 -10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.568 6.786 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.169 5.891 -9.859 1.00 0.00 H new ATOM 353 N ALA A 24 5.693 5.780 -4.053 1.00 0.00 N ATOM 354 CA ALA A 24 7.123 5.477 -4.033 1.00 0.00 C ATOM 355 C ALA A 24 7.439 4.128 -4.679 1.00 0.00 C ATOM 356 O ALA A 24 7.905 4.067 -5.817 1.00 0.00 O ATOM 357 CB ALA A 24 7.640 5.502 -2.601 1.00 0.00 C ATOM 0 H ALA A 24 5.334 6.160 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 24 7.626 6.245 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.706 5.275 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.477 6.491 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.107 4.758 -2.009 1.00 0.00 H new ATOM 363 N ALA A 25 7.199 3.051 -3.937 1.00 0.00 N ATOM 364 CA ALA A 25 7.474 1.704 -4.425 1.00 0.00 C ATOM 365 C ALA A 25 6.468 1.252 -5.483 1.00 0.00 C ATOM 366 O ALA A 25 6.622 0.181 -6.069 1.00 0.00 O ATOM 367 CB ALA A 25 7.486 0.724 -3.261 1.00 0.00 C ATOM 0 H ALA A 25 6.814 3.085 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 25 8.454 1.723 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.692 -0.280 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.260 1.013 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.515 0.735 -2.766 1.00 0.00 H new ATOM 373 N PHE A 26 5.438 2.062 -5.724 1.00 0.00 N ATOM 374 CA PHE A 26 4.414 1.724 -6.712 1.00 0.00 C ATOM 375 C PHE A 26 5.036 1.238 -8.020 1.00 0.00 C ATOM 376 O PHE A 26 4.437 0.441 -8.743 1.00 0.00 O ATOM 377 CB PHE A 26 3.519 2.933 -6.981 1.00 0.00 C ATOM 378 CG PHE A 26 2.168 2.574 -7.531 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.140 2.192 -6.682 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.925 2.617 -8.894 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.104 1.861 -7.184 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.683 2.287 -9.401 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.333 1.909 -8.545 1.00 0.00 C ATOM 0 H PHE A 26 5.290 2.954 -5.251 1.00 0.00 H new ATOM 0 HA PHE A 26 3.813 0.913 -6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.387 3.490 -6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.022 3.598 -7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.314 2.153 -5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.716 2.912 -9.568 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.897 1.565 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.507 2.325 -10.466 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.305 1.651 -8.939 1.00 0.00 H new ATOM 393 N ASP A 27 6.238 1.720 -8.317 1.00 0.00 N ATOM 394 CA ASP A 27 6.936 1.330 -9.537 1.00 0.00 C ATOM 395 C ASP A 27 7.623 -0.021 -9.363 1.00 0.00 C ATOM 396 O ASP A 27 7.318 -0.980 -10.072 1.00 0.00 O ATOM 397 CB ASP A 27 7.965 2.393 -9.924 1.00 0.00 C ATOM 398 CG ASP A 27 7.400 3.423 -10.882 1.00 0.00 C ATOM 399 OD1 ASP A 27 6.417 4.099 -10.514 1.00 0.00 O ATOM 400 OD2 ASP A 27 7.942 3.554 -12.000 1.00 0.00 O ATOM 0 H ASP A 27 6.749 2.380 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 27 6.198 1.242 -10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.321 2.895 -9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.828 1.910 -10.382 1.00 0.00 H new ATOM 405 N MET A 28 8.553 -0.089 -8.415 1.00 0.00 N ATOM 406 CA MET A 28 9.283 -1.322 -8.148 1.00 0.00 C ATOM 407 C MET A 28 8.329 -2.450 -7.765 1.00 0.00 C ATOM 408 O MET A 28 8.630 -3.627 -7.970 1.00 0.00 O ATOM 409 CB MET A 28 10.310 -1.101 -7.034 1.00 0.00 C ATOM 410 CG MET A 28 11.740 -0.998 -7.538 1.00 0.00 C ATOM 411 SD MET A 28 12.898 -0.512 -6.245 1.00 0.00 S ATOM 412 CE MET A 28 13.588 0.982 -6.952 1.00 0.00 C ATOM 0 H MET A 28 8.818 0.696 -7.820 1.00 0.00 H new ATOM 0 HA MET A 28 9.805 -1.610 -9.060 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.057 -0.189 -6.494 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.243 -1.923 -6.321 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.046 -1.959 -7.952 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.783 -0.273 -8.351 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.475 1.275 -6.390 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.861 0.800 -7.992 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.849 1.782 -6.906 1.00 0.00 H new ATOM 422 N PHE A 29 7.178 -2.086 -7.208 1.00 0.00 N ATOM 423 CA PHE A 29 6.180 -3.068 -6.798 1.00 0.00 C ATOM 424 C PHE A 29 5.768 -3.949 -7.974 1.00 0.00 C ATOM 425 O PHE A 29 6.141 -5.120 -8.047 1.00 0.00 O ATOM 426 CB PHE A 29 4.951 -2.364 -6.218 1.00 0.00 C ATOM 427 CG PHE A 29 4.796 -2.557 -4.739 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.295 -3.744 -4.235 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.150 -1.553 -3.852 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.149 -3.927 -2.875 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.005 -1.730 -2.490 1.00 0.00 C ATOM 432 CZ PHE A 29 4.505 -2.920 -2.000 1.00 0.00 C ATOM 0 H PHE A 29 6.913 -1.117 -7.030 1.00 0.00 H new ATOM 0 HA PHE A 29 6.624 -3.702 -6.030 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.018 -1.297 -6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.058 -2.735 -6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.015 -4.536 -4.913 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.544 -0.621 -4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.756 -4.858 -2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.282 -0.939 -1.809 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.393 -3.063 -0.935 1.00 0.00 H new ATOM 442 N ASP A 30 4.993 -3.378 -8.891 1.00 0.00 N ATOM 443 CA ASP A 30 4.523 -4.105 -10.064 1.00 0.00 C ATOM 444 C ASP A 30 5.677 -4.804 -10.776 1.00 0.00 C ATOM 445 O ASP A 30 6.621 -4.162 -11.235 1.00 0.00 O ATOM 446 CB ASP A 30 3.819 -3.154 -11.032 1.00 0.00 C ATOM 447 CG ASP A 30 2.426 -2.783 -10.564 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.658 -3.698 -10.198 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.101 -1.576 -10.562 1.00 0.00 O ATOM 0 H ASP A 30 4.676 -2.410 -8.843 1.00 0.00 H new ATOM 0 HA ASP A 30 3.816 -4.863 -9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.415 -2.248 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.757 -3.620 -12.015 1.00 0.00 H new ATOM 454 N ALA A 31 5.588 -6.125 -10.863 1.00 0.00 N ATOM 455 CA ALA A 31 6.619 -6.921 -11.519 1.00 0.00 C ATOM 456 C ALA A 31 6.346 -7.042 -13.013 1.00 0.00 C ATOM 457 O ALA A 31 7.216 -6.762 -13.838 1.00 0.00 O ATOM 458 CB ALA A 31 6.700 -8.301 -10.884 1.00 0.00 C ATOM 0 H ALA A 31 4.811 -6.669 -10.487 1.00 0.00 H new ATOM 0 HA ALA A 31 7.576 -6.415 -11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.473 -8.886 -11.382 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.945 -8.201 -9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.740 -8.806 -10.988 1.00 0.00 H new ATOM 464 N ASP A 32 5.131 -7.457 -13.354 1.00 0.00 N ATOM 465 CA ASP A 32 4.739 -7.613 -14.749 1.00 0.00 C ATOM 466 C ASP A 32 4.364 -6.267 -15.362 1.00 0.00 C ATOM 467 O ASP A 32 4.465 -6.076 -16.573 1.00 0.00 O ATOM 468 CB ASP A 32 3.563 -8.584 -14.864 1.00 0.00 C ATOM 469 CG ASP A 32 2.367 -8.145 -14.041 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.556 -7.353 -13.096 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.242 -8.594 -14.344 1.00 0.00 O ATOM 0 H ASP A 32 4.400 -7.692 -12.682 1.00 0.00 H new ATOM 0 HA ASP A 32 5.590 -8.017 -15.297 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.268 -8.671 -15.910 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.880 -9.575 -14.539 1.00 0.00 H new ATOM 497 N ASP A 36 -1.354 -6.148 -10.265 1.00 0.00 N ATOM 498 CA ASP A 36 -1.522 -5.497 -8.971 1.00 0.00 C ATOM 499 C ASP A 36 -0.472 -5.983 -7.978 1.00 0.00 C ATOM 500 O ASP A 36 0.424 -6.749 -8.332 1.00 0.00 O ATOM 501 CB ASP A 36 -2.922 -5.765 -8.419 1.00 0.00 C ATOM 502 CG ASP A 36 -3.946 -4.773 -8.936 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.543 -3.659 -9.332 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.148 -5.110 -8.943 1.00 0.00 O ATOM 0 HA ASP A 36 -1.394 -4.424 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.229 -6.775 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.895 -5.721 -7.330 1.00 0.00 H new ATOM 509 N ILE A 37 -0.590 -5.531 -6.735 1.00 0.00 N ATOM 510 CA ILE A 37 0.346 -5.916 -5.689 1.00 0.00 C ATOM 511 C ILE A 37 -0.217 -7.052 -4.837 1.00 0.00 C ATOM 512 O ILE A 37 -1.331 -6.962 -4.320 1.00 0.00 O ATOM 513 CB ILE A 37 0.686 -4.711 -4.786 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.408 -3.636 -5.598 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.534 -5.140 -3.596 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.705 -2.383 -4.807 1.00 0.00 C ATOM 0 H ILE A 37 -1.327 -4.896 -6.428 1.00 0.00 H new ATOM 0 HA ILE A 37 1.257 -6.263 -6.177 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.246 -4.297 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.343 -4.046 -5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.799 -3.374 -6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.759 -4.271 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.987 -5.875 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.465 -5.582 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.218 -1.663 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.772 -1.949 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.340 -2.631 -3.957 1.00 0.00 H new ATOM 528 N SER A 38 0.564 -8.118 -4.697 1.00 0.00 N ATOM 529 CA SER A 38 0.152 -9.274 -3.909 1.00 0.00 C ATOM 530 C SER A 38 1.118 -9.505 -2.749 1.00 0.00 C ATOM 531 O SER A 38 1.904 -8.626 -2.399 1.00 0.00 O ATOM 532 CB SER A 38 0.085 -10.520 -4.794 1.00 0.00 C ATOM 533 OG SER A 38 -0.701 -11.532 -4.190 1.00 0.00 O ATOM 0 H SER A 38 1.488 -8.205 -5.120 1.00 0.00 H new ATOM 0 HA SER A 38 -0.839 -9.077 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.336 -10.258 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.092 -10.896 -4.975 1.00 0.00 H new ATOM 0 HG SER A 38 -1.580 -11.167 -3.955 1.00 0.00 H new ATOM 539 N THR A 39 1.050 -10.692 -2.154 1.00 0.00 N ATOM 540 CA THR A 39 1.917 -11.037 -1.031 1.00 0.00 C ATOM 541 C THR A 39 3.382 -11.088 -1.460 1.00 0.00 C ATOM 542 O THR A 39 4.283 -10.914 -0.639 1.00 0.00 O ATOM 543 CB THR A 39 1.501 -12.383 -0.435 1.00 0.00 C ATOM 544 OG1 THR A 39 0.764 -13.143 -1.376 1.00 0.00 O ATOM 545 CG2 THR A 39 0.654 -12.251 0.812 1.00 0.00 C ATOM 0 H THR A 39 0.404 -11.431 -2.430 1.00 0.00 H new ATOM 0 HA THR A 39 1.810 -10.261 -0.274 1.00 0.00 H new ATOM 0 HB THR A 39 2.434 -12.880 -0.170 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.509 -14.001 -0.976 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.394 -13.243 1.182 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.214 -11.713 1.577 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.257 -11.702 0.576 1.00 0.00 H new ATOM 553 N LYS A 40 3.614 -11.335 -2.746 1.00 0.00 N ATOM 554 CA LYS A 40 4.971 -11.415 -3.275 1.00 0.00 C ATOM 555 C LYS A 40 5.511 -10.032 -3.629 1.00 0.00 C ATOM 556 O LYS A 40 6.685 -9.738 -3.403 1.00 0.00 O ATOM 557 CB LYS A 40 5.004 -12.321 -4.509 1.00 0.00 C ATOM 558 CG LYS A 40 6.124 -13.349 -4.478 1.00 0.00 C ATOM 559 CD LYS A 40 5.723 -14.584 -3.690 1.00 0.00 C ATOM 560 CE LYS A 40 6.934 -15.423 -3.314 1.00 0.00 C ATOM 561 NZ LYS A 40 7.781 -14.748 -2.292 1.00 0.00 N ATOM 0 H LYS A 40 2.881 -11.483 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 40 5.609 -11.839 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.049 -12.839 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.113 -11.703 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.385 -13.635 -5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.015 -12.905 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.192 -14.284 -2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.032 -15.185 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.602 -16.388 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.529 -15.621 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.406 -15.447 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.357 -14.013 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.173 -14.312 -1.570 1.00 0.00 H new ATOM 575 N GLU A 41 4.649 -9.188 -4.187 1.00 0.00 N ATOM 576 CA GLU A 41 5.045 -7.839 -4.577 1.00 0.00 C ATOM 577 C GLU A 41 5.306 -6.958 -3.356 1.00 0.00 C ATOM 578 O GLU A 41 5.944 -5.910 -3.465 1.00 0.00 O ATOM 579 CB GLU A 41 3.970 -7.204 -5.460 1.00 0.00 C ATOM 580 CG GLU A 41 3.650 -8.016 -6.705 1.00 0.00 C ATOM 581 CD GLU A 41 3.408 -7.145 -7.923 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.813 -6.057 -7.767 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.814 -7.550 -9.032 1.00 0.00 O ATOM 0 H GLU A 41 3.673 -9.414 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 41 5.974 -7.917 -5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.059 -7.077 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.298 -6.209 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.474 -8.700 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.767 -8.627 -6.519 1.00 0.00 H new ATOM 590 N LEU A 42 4.814 -7.382 -2.195 1.00 0.00 N ATOM 591 CA LEU A 42 5.002 -6.619 -0.965 1.00 0.00 C ATOM 592 C LEU A 42 6.362 -6.912 -0.340 1.00 0.00 C ATOM 593 O LEU A 42 7.193 -6.016 -0.192 1.00 0.00 O ATOM 594 CB LEU A 42 3.885 -6.931 0.034 1.00 0.00 C ATOM 595 CG LEU A 42 3.087 -5.717 0.516 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.019 -4.631 1.039 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.208 -5.178 -0.602 1.00 0.00 C ATOM 0 H LEU A 42 4.284 -8.246 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 42 4.964 -5.560 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.196 -7.640 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.322 -7.426 0.901 1.00 0.00 H new ATOM 0 HG LEU A 42 2.443 -6.035 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.430 -3.778 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.602 -5.022 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.693 -4.315 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.648 -4.315 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.833 -4.879 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.512 -5.953 -0.924 1.00 0.00 H new ATOM 609 N GLY A 43 6.583 -8.171 0.027 1.00 0.00 N ATOM 610 CA GLY A 43 7.846 -8.558 0.634 1.00 0.00 C ATOM 611 C GLY A 43 9.047 -8.037 -0.133 1.00 0.00 C ATOM 612 O GLY A 43 10.109 -7.809 0.444 1.00 0.00 O ATOM 0 H GLY A 43 5.911 -8.930 -0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.883 -8.184 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.900 -9.645 0.690 1.00 0.00 H new ATOM 616 N THR A 44 8.876 -7.847 -1.436 1.00 0.00 N ATOM 617 CA THR A 44 9.950 -7.348 -2.287 1.00 0.00 C ATOM 618 C THR A 44 10.471 -6.003 -1.782 1.00 0.00 C ATOM 619 O THR A 44 11.545 -5.923 -1.185 1.00 0.00 O ATOM 620 CB THR A 44 9.451 -7.219 -3.737 1.00 0.00 C ATOM 621 OG1 THR A 44 9.651 -8.432 -4.441 1.00 0.00 O ATOM 622 CG2 THR A 44 10.125 -6.115 -4.531 1.00 0.00 C ATOM 0 H THR A 44 8.001 -8.031 -1.927 1.00 0.00 H new ATOM 0 HA THR A 44 10.775 -8.060 -2.255 1.00 0.00 H new ATOM 0 HB THR A 44 8.393 -6.972 -3.646 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.327 -8.334 -5.361 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.716 -6.092 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.946 -5.156 -4.045 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.198 -6.303 -4.578 1.00 0.00 H new ATOM 630 N VAL A 45 9.704 -4.952 -2.041 1.00 0.00 N ATOM 631 CA VAL A 45 10.077 -3.605 -1.637 1.00 0.00 C ATOM 632 C VAL A 45 10.135 -3.465 -0.117 1.00 0.00 C ATOM 633 O VAL A 45 10.835 -2.597 0.406 1.00 0.00 O ATOM 634 CB VAL A 45 9.083 -2.574 -2.203 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.676 -2.860 -1.700 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.515 -1.155 -1.854 1.00 0.00 C ATOM 0 H VAL A 45 8.813 -5.009 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 45 11.072 -3.415 -2.040 1.00 0.00 H new ATOM 0 HB VAL A 45 9.078 -2.660 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.986 -2.122 -2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.372 -3.857 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.661 -2.806 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.797 -0.445 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.557 -1.043 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.501 -0.960 -2.277 1.00 0.00 H new ATOM 646 N MET A 46 9.394 -4.312 0.585 1.00 0.00 N ATOM 647 CA MET A 46 9.366 -4.266 2.042 1.00 0.00 C ATOM 648 C MET A 46 10.625 -4.885 2.643 1.00 0.00 C ATOM 649 O MET A 46 11.087 -4.460 3.701 1.00 0.00 O ATOM 650 CB MET A 46 8.123 -4.987 2.572 1.00 0.00 C ATOM 651 CG MET A 46 6.894 -4.096 2.662 1.00 0.00 C ATOM 652 SD MET A 46 7.141 -2.677 3.747 1.00 0.00 S ATOM 653 CE MET A 46 5.537 -2.567 4.534 1.00 0.00 C ATOM 0 H MET A 46 8.807 -5.036 0.172 1.00 0.00 H new ATOM 0 HA MET A 46 9.328 -3.219 2.341 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.900 -5.834 1.923 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.342 -5.391 3.560 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.632 -3.744 1.664 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.050 -4.683 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.533 -1.733 5.236 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.770 -2.407 3.776 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.330 -3.494 5.070 1.00 0.00 H new ATOM 663 N ARG A 47 11.173 -5.889 1.966 1.00 0.00 N ATOM 664 CA ARG A 47 12.376 -6.564 2.447 1.00 0.00 C ATOM 665 C ARG A 47 13.641 -5.834 2.006 1.00 0.00 C ATOM 666 O ARG A 47 14.672 -5.904 2.676 1.00 0.00 O ATOM 667 CB ARG A 47 12.412 -8.009 1.944 1.00 0.00 C ATOM 668 CG ARG A 47 11.373 -8.906 2.597 1.00 0.00 C ATOM 669 CD ARG A 47 11.131 -10.166 1.779 1.00 0.00 C ATOM 670 NE ARG A 47 11.861 -11.313 2.313 1.00 0.00 N ATOM 671 CZ ARG A 47 11.562 -12.579 2.029 1.00 0.00 C ATOM 672 NH1 ARG A 47 10.552 -12.864 1.218 1.00 0.00 N ATOM 673 NH2 ARG A 47 12.277 -13.562 2.559 1.00 0.00 N ATOM 0 H ARG A 47 10.806 -6.253 1.087 1.00 0.00 H new ATOM 0 HA ARG A 47 12.342 -6.560 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.257 -8.013 0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.404 -8.424 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.705 -9.179 3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.437 -8.359 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.064 -10.390 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.434 -9.992 0.747 1.00 0.00 H new ATOM 0 HE ARG A 47 12.645 -11.134 2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.999 -12.111 0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.328 -13.836 1.004 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.055 -13.348 3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.049 -14.532 2.342 1.00 0.00 H new ATOM 687 N MET A 48 13.563 -5.139 0.876 1.00 0.00 N ATOM 688 CA MET A 48 14.713 -4.406 0.355 1.00 0.00 C ATOM 689 C MET A 48 14.723 -2.957 0.840 1.00 0.00 C ATOM 690 O MET A 48 15.508 -2.141 0.358 1.00 0.00 O ATOM 691 CB MET A 48 14.719 -4.444 -1.174 1.00 0.00 C ATOM 692 CG MET A 48 13.522 -3.752 -1.806 1.00 0.00 C ATOM 693 SD MET A 48 13.994 -2.570 -3.083 1.00 0.00 S ATOM 694 CE MET A 48 12.628 -1.416 -2.990 1.00 0.00 C ATOM 0 H MET A 48 12.721 -5.067 0.305 1.00 0.00 H new ATOM 0 HA MET A 48 15.612 -4.893 0.731 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.633 -3.974 -1.537 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.743 -5.483 -1.503 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.860 -4.503 -2.238 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.955 -3.236 -1.031 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.898 -0.491 -3.500 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.751 -1.852 -3.468 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.403 -1.202 -1.945 1.00 0.00 H new ATOM 704 N LEU A 49 13.851 -2.639 1.794 1.00 0.00 N ATOM 705 CA LEU A 49 13.773 -1.287 2.334 1.00 0.00 C ATOM 706 C LEU A 49 14.060 -1.279 3.832 1.00 0.00 C ATOM 707 O LEU A 49 14.752 -0.395 4.337 1.00 0.00 O ATOM 708 CB LEU A 49 12.394 -0.685 2.064 1.00 0.00 C ATOM 709 CG LEU A 49 12.197 -0.124 0.655 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.831 0.532 0.528 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.301 0.865 0.315 1.00 0.00 C ATOM 0 H LEU A 49 13.191 -3.298 2.207 1.00 0.00 H new ATOM 0 HA LEU A 49 14.530 -0.682 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.639 -1.451 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.215 0.113 2.785 1.00 0.00 H new ATOM 0 HG LEU A 49 12.247 -0.950 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.709 0.925 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.053 -0.205 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.750 1.347 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.144 1.254 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.284 1.689 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.267 0.363 0.363 1.00 0.00 H new ATOM 723 N GLY A 50 13.524 -2.270 4.538 1.00 0.00 N ATOM 724 CA GLY A 50 13.735 -2.358 5.972 1.00 0.00 C ATOM 725 C GLY A 50 12.723 -3.261 6.650 1.00 0.00 C ATOM 726 O GLY A 50 13.042 -3.938 7.628 1.00 0.00 O ATOM 0 H GLY A 50 12.948 -3.013 4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.740 -2.733 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.677 -1.360 6.407 1.00 0.00 H new ATOM 730 N GLN A 51 11.501 -3.272 6.128 1.00 0.00 N ATOM 731 CA GLN A 51 10.438 -4.099 6.687 1.00 0.00 C ATOM 732 C GLN A 51 10.733 -5.580 6.465 1.00 0.00 C ATOM 733 O GLN A 51 11.529 -5.940 5.599 1.00 0.00 O ATOM 734 CB GLN A 51 9.095 -3.724 6.055 1.00 0.00 C ATOM 735 CG GLN A 51 8.063 -3.239 7.060 1.00 0.00 C ATOM 736 CD GLN A 51 7.265 -4.373 7.671 1.00 0.00 C ATOM 737 OE1 GLN A 51 6.271 -4.825 7.103 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.697 -4.839 8.838 1.00 0.00 N ATOM 0 H GLN A 51 11.222 -2.717 5.319 1.00 0.00 H new ATOM 0 HA GLN A 51 10.387 -3.919 7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.258 -2.945 5.310 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.697 -4.591 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.566 -2.686 7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.382 -2.544 6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.526 -4.434 9.273 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.200 -5.601 9.298 1.00 0.00 H new ATOM 747 N ASN A 52 10.096 -6.436 7.257 1.00 0.00 N ATOM 748 CA ASN A 52 10.305 -7.875 7.140 1.00 0.00 C ATOM 749 C ASN A 52 9.015 -8.652 7.404 1.00 0.00 C ATOM 750 O ASN A 52 8.993 -9.577 8.218 1.00 0.00 O ATOM 751 CB ASN A 52 11.393 -8.327 8.113 1.00 0.00 C ATOM 752 CG ASN A 52 11.848 -9.749 7.853 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.171 -10.515 7.167 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.002 -10.112 8.402 1.00 0.00 N ATOM 0 H ASN A 52 9.434 -6.161 7.983 1.00 0.00 H new ATOM 0 HA ASN A 52 10.621 -8.085 6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.248 -7.655 8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.019 -8.249 9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.358 -11.057 8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.532 -9.445 8.964 1.00 0.00 H new ATOM 761 N PRO A 53 7.920 -8.291 6.716 1.00 0.00 N ATOM 762 CA PRO A 53 6.630 -8.963 6.880 1.00 0.00 C ATOM 763 C PRO A 53 6.612 -10.339 6.220 1.00 0.00 C ATOM 764 O PRO A 53 6.589 -10.450 4.995 1.00 0.00 O ATOM 765 CB PRO A 53 5.655 -8.020 6.177 1.00 0.00 C ATOM 766 CG PRO A 53 6.477 -7.343 5.136 1.00 0.00 C ATOM 767 CD PRO A 53 7.856 -7.202 5.723 1.00 0.00 C ATOM 0 HA PRO A 53 6.389 -9.145 7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.824 -8.567 5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.226 -7.300 6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.502 -7.929 4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.060 -6.369 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.629 -7.307 4.962 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.997 -6.226 6.188 1.00 0.00 H new ATOM 775 N THR A 54 6.625 -11.384 7.042 1.00 0.00 N ATOM 776 CA THR A 54 6.612 -12.753 6.537 1.00 0.00 C ATOM 777 C THR A 54 5.375 -13.008 5.684 1.00 0.00 C ATOM 778 O THR A 54 4.567 -12.107 5.459 1.00 0.00 O ATOM 779 CB THR A 54 6.661 -13.747 7.698 1.00 0.00 C ATOM 780 OG1 THR A 54 7.230 -13.148 8.848 1.00 0.00 O ATOM 781 CG2 THR A 54 7.459 -14.994 7.385 1.00 0.00 C ATOM 0 H THR A 54 6.644 -11.309 8.059 1.00 0.00 H new ATOM 0 HA THR A 54 7.494 -12.891 5.912 1.00 0.00 H new ATOM 0 HB THR A 54 5.625 -14.035 7.876 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.251 -13.799 9.580 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.453 -15.656 8.251 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.013 -15.507 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.486 -14.718 7.146 1.00 0.00 H new ATOM 789 N LYS A 55 5.230 -14.243 5.212 1.00 0.00 N ATOM 790 CA LYS A 55 4.089 -14.616 4.384 1.00 0.00 C ATOM 791 C LYS A 55 2.777 -14.334 5.111 1.00 0.00 C ATOM 792 O LYS A 55 1.899 -13.651 4.583 1.00 0.00 O ATOM 793 CB LYS A 55 4.169 -16.096 4.004 1.00 0.00 C ATOM 794 CG LYS A 55 4.758 -16.336 2.623 1.00 0.00 C ATOM 795 CD LYS A 55 3.984 -17.400 1.857 1.00 0.00 C ATOM 796 CE LYS A 55 3.683 -16.957 0.434 1.00 0.00 C ATOM 797 NZ LYS A 55 3.867 -18.066 -0.543 1.00 0.00 N ATOM 0 H LYS A 55 5.888 -15.002 5.389 1.00 0.00 H new ATOM 0 HA LYS A 55 4.117 -14.015 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.773 -16.621 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.169 -16.528 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.752 -15.404 2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.799 -16.643 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.560 -18.325 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.051 -17.617 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.658 -16.589 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.335 -16.126 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.652 -17.724 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.851 -18.400 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.226 -18.849 -0.304 1.00 0.00 H new ATOM 811 N CYS A 56 2.653 -14.860 6.324 1.00 0.00 N ATOM 812 CA CYS A 56 1.451 -14.660 7.123 1.00 0.00 C ATOM 813 C CYS A 56 1.237 -13.177 7.410 1.00 0.00 C ATOM 814 O CYS A 56 0.103 -12.711 7.518 1.00 0.00 O ATOM 815 CB CYS A 56 1.548 -15.437 8.437 1.00 0.00 C ATOM 816 SG CYS A 56 0.888 -17.118 8.350 1.00 0.00 S ATOM 0 H CYS A 56 3.370 -15.428 6.775 1.00 0.00 H new ATOM 0 HA CYS A 56 0.599 -15.032 6.555 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.593 -15.484 8.743 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.013 -14.888 9.212 1.00 0.00 H new ATOM 0 HG CYS A 56 1.017 -17.695 9.508 1.00 0.00 H new ATOM 822 N GLU A 57 2.338 -12.440 7.529 1.00 0.00 N ATOM 823 CA GLU A 57 2.276 -11.010 7.799 1.00 0.00 C ATOM 824 C GLU A 57 1.529 -10.280 6.688 1.00 0.00 C ATOM 825 O GLU A 57 0.500 -9.647 6.929 1.00 0.00 O ATOM 826 CB GLU A 57 3.688 -10.437 7.942 1.00 0.00 C ATOM 827 CG GLU A 57 3.869 -9.571 9.177 1.00 0.00 C ATOM 828 CD GLU A 57 3.058 -8.292 9.117 1.00 0.00 C ATOM 829 OE1 GLU A 57 3.548 -7.305 8.528 1.00 0.00 O ATOM 830 OE2 GLU A 57 1.932 -8.276 9.658 1.00 0.00 O ATOM 0 H GLU A 57 3.284 -12.812 7.442 1.00 0.00 H new ATOM 0 HA GLU A 57 1.735 -10.863 8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.403 -11.259 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.923 -9.847 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.579 -10.140 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.924 -9.323 9.290 1.00 0.00 H new ATOM 837 N LEU A 58 2.053 -10.375 5.471 1.00 0.00 N ATOM 838 CA LEU A 58 1.436 -9.725 4.321 1.00 0.00 C ATOM 839 C LEU A 58 0.093 -10.370 3.991 1.00 0.00 C ATOM 840 O LEU A 58 -0.822 -9.707 3.506 1.00 0.00 O ATOM 841 CB LEU A 58 2.369 -9.796 3.109 1.00 0.00 C ATOM 842 CG LEU A 58 3.816 -9.375 3.383 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.746 -9.940 2.321 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.929 -7.858 3.439 1.00 0.00 C ATOM 0 H LEU A 58 2.903 -10.896 5.256 1.00 0.00 H new ATOM 0 HA LEU A 58 1.262 -8.679 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.369 -10.817 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.965 -9.162 2.320 1.00 0.00 H new ATOM 0 HG LEU A 58 4.114 -9.778 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.770 -9.631 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.687 -11.028 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.449 -9.567 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.964 -7.577 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.612 -7.434 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.292 -7.475 4.236 1.00 0.00 H new ATOM 856 N ASP A 59 -0.019 -11.666 4.266 1.00 0.00 N ATOM 857 CA ASP A 59 -1.254 -12.399 4.007 1.00 0.00 C ATOM 858 C ASP A 59 -2.372 -11.910 4.913 1.00 0.00 C ATOM 859 O ASP A 59 -3.549 -11.996 4.564 1.00 0.00 O ATOM 860 CB ASP A 59 -1.035 -13.900 4.205 1.00 0.00 C ATOM 861 CG ASP A 59 -0.584 -14.591 2.934 1.00 0.00 C ATOM 862 OD1 ASP A 59 -1.448 -14.891 2.083 1.00 0.00 O ATOM 863 OD2 ASP A 59 0.632 -14.832 2.789 1.00 0.00 O ATOM 0 H ASP A 59 0.730 -12.230 4.668 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.545 -12.219 2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.289 -14.056 4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.961 -14.356 4.554 1.00 0.00 H new ATOM 868 N ALA A 60 -2.001 -11.390 6.077 1.00 0.00 N ATOM 869 CA ALA A 60 -2.981 -10.885 7.021 1.00 0.00 C ATOM 870 C ALA A 60 -3.521 -9.535 6.562 1.00 0.00 C ATOM 871 O ALA A 60 -4.676 -9.196 6.821 1.00 0.00 O ATOM 872 CB ALA A 60 -2.376 -10.775 8.412 1.00 0.00 C ATOM 0 H ALA A 60 -1.032 -11.309 6.386 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.812 -11.590 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.126 -10.395 9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.042 -11.759 8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.526 -10.093 8.386 1.00 0.00 H new ATOM 878 N ILE A 61 -2.680 -8.775 5.870 1.00 0.00 N ATOM 879 CA ILE A 61 -3.070 -7.471 5.363 1.00 0.00 C ATOM 880 C ILE A 61 -3.882 -7.621 4.078 1.00 0.00 C ATOM 881 O ILE A 61 -5.032 -7.191 4.009 1.00 0.00 O ATOM 882 CB ILE A 61 -1.831 -6.583 5.103 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.269 -6.061 6.427 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.173 -5.425 4.179 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.400 -7.064 7.152 1.00 0.00 C ATOM 0 H ILE A 61 -1.721 -9.043 5.648 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.687 -6.987 6.120 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.072 -7.192 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.687 -5.160 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.097 -5.774 7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.284 -4.817 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.530 -5.814 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.951 -4.813 4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.037 -6.626 8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.984 -7.957 7.376 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.448 -7.333 6.522 1.00 0.00 H new ATOM 897 N ILE A 62 -3.276 -8.244 3.067 1.00 0.00 N ATOM 898 CA ILE A 62 -3.942 -8.460 1.784 1.00 0.00 C ATOM 899 C ILE A 62 -5.368 -8.967 1.985 1.00 0.00 C ATOM 900 O ILE A 62 -6.310 -8.460 1.376 1.00 0.00 O ATOM 901 CB ILE A 62 -3.163 -9.465 0.907 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.782 -8.905 0.559 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.943 -9.794 -0.361 1.00 0.00 C ATOM 904 CD1 ILE A 62 -1.036 -9.725 -0.472 1.00 0.00 C ATOM 0 H ILE A 62 -2.324 -8.608 3.113 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.972 -7.497 1.274 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.032 -10.387 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.896 -7.887 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.183 -8.848 1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.376 -10.503 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.904 -10.233 -0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.108 -8.881 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.066 -9.268 -0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.890 -10.737 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.614 -9.761 -1.396 1.00 0.00 H new ATOM 916 N CYS A 63 -5.518 -9.967 2.849 1.00 0.00 N ATOM 917 CA CYS A 63 -6.829 -10.535 3.134 1.00 0.00 C ATOM 918 C CYS A 63 -7.787 -9.447 3.610 1.00 0.00 C ATOM 919 O CYS A 63 -8.983 -9.485 3.318 1.00 0.00 O ATOM 920 CB CYS A 63 -6.712 -11.635 4.191 1.00 0.00 C ATOM 921 SG CYS A 63 -7.956 -12.939 4.040 1.00 0.00 S ATOM 0 H CYS A 63 -4.749 -10.399 3.362 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.225 -10.971 2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.721 -12.084 4.125 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.792 -11.184 5.180 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.774 -13.823 4.976 1.00 0.00 H new ATOM 927 N GLU A 64 -7.245 -8.470 4.328 1.00 0.00 N ATOM 928 CA GLU A 64 -8.041 -7.357 4.831 1.00 0.00 C ATOM 929 C GLU A 64 -8.185 -6.289 3.753 1.00 0.00 C ATOM 930 O GLU A 64 -9.223 -5.639 3.640 1.00 0.00 O ATOM 931 CB GLU A 64 -7.393 -6.760 6.082 1.00 0.00 C ATOM 932 CG GLU A 64 -7.978 -7.290 7.382 1.00 0.00 C ATOM 933 CD GLU A 64 -8.803 -6.251 8.117 1.00 0.00 C ATOM 934 OE1 GLU A 64 -8.204 -5.396 8.804 1.00 0.00 O ATOM 935 OE2 GLU A 64 -10.046 -6.293 8.007 1.00 0.00 O ATOM 0 H GLU A 64 -6.256 -8.426 4.575 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.031 -7.727 5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.324 -6.970 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.506 -5.676 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.601 -8.158 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.169 -7.630 8.028 1.00 0.00 H new ATOM 942 N VAL A 65 -7.133 -6.126 2.956 1.00 0.00 N ATOM 943 CA VAL A 65 -7.135 -5.150 1.873 1.00 0.00 C ATOM 944 C VAL A 65 -8.155 -5.537 0.810 1.00 0.00 C ATOM 945 O VAL A 65 -8.939 -4.707 0.349 1.00 0.00 O ATOM 946 CB VAL A 65 -5.745 -5.041 1.209 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.774 -4.039 0.064 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.680 -4.666 2.233 1.00 0.00 C ATOM 0 H VAL A 65 -6.267 -6.659 3.041 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.397 -4.186 2.308 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.487 -6.018 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.785 -3.977 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.498 -4.362 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.060 -3.059 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.710 -4.596 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.930 -3.705 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.638 -5.429 3.010 1.00 0.00 H new ATOM 958 N ASP A 66 -8.129 -6.806 0.423 1.00 0.00 N ATOM 959 CA ASP A 66 -9.038 -7.321 -0.591 1.00 0.00 C ATOM 960 C ASP A 66 -10.413 -7.617 -0.001 1.00 0.00 C ATOM 961 O ASP A 66 -10.633 -8.674 0.590 1.00 0.00 O ATOM 962 CB ASP A 66 -8.457 -8.588 -1.218 1.00 0.00 C ATOM 963 CG ASP A 66 -7.253 -8.293 -2.093 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.142 -8.139 -1.542 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.421 -8.217 -3.328 1.00 0.00 O ATOM 0 H ASP A 66 -7.484 -7.501 0.799 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.156 -6.557 -1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.169 -9.283 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.225 -9.082 -1.814 1.00 0.00 H new ATOM 970 N GLU A 67 -11.337 -6.677 -0.173 1.00 0.00 N ATOM 971 CA GLU A 67 -12.694 -6.838 0.336 1.00 0.00 C ATOM 972 C GLU A 67 -13.492 -7.796 -0.545 1.00 0.00 C ATOM 973 O GLU A 67 -14.444 -8.427 -0.088 1.00 0.00 O ATOM 974 CB GLU A 67 -13.400 -5.483 0.406 1.00 0.00 C ATOM 975 CG GLU A 67 -12.943 -4.620 1.570 1.00 0.00 C ATOM 976 CD GLU A 67 -11.746 -3.758 1.221 1.00 0.00 C ATOM 977 OE1 GLU A 67 -11.680 -3.270 0.073 1.00 0.00 O ATOM 978 OE2 GLU A 67 -10.874 -3.569 2.096 1.00 0.00 O ATOM 0 H GLU A 67 -11.171 -5.797 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.633 -7.259 1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.227 -4.944 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.475 -5.646 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.766 -3.981 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.691 -5.260 2.415 1.00 0.00 H new ATOM 985 N ASP A 68 -13.094 -7.897 -1.810 1.00 0.00 N ATOM 986 CA ASP A 68 -13.771 -8.776 -2.758 1.00 0.00 C ATOM 987 C ASP A 68 -13.228 -10.200 -2.666 1.00 0.00 C ATOM 988 O ASP A 68 -13.946 -11.166 -2.928 1.00 0.00 O ATOM 989 CB ASP A 68 -13.605 -8.244 -4.184 1.00 0.00 C ATOM 990 CG ASP A 68 -12.158 -8.249 -4.642 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.430 -7.284 -4.325 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.754 -9.220 -5.316 1.00 0.00 O ATOM 0 H ASP A 68 -12.306 -7.381 -2.202 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.831 -8.796 -2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.201 -8.851 -4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.996 -7.228 -4.237 1.00 0.00 H new ATOM 997 N GLY A 69 -11.958 -10.322 -2.298 1.00 0.00 N ATOM 998 CA GLY A 69 -11.340 -11.631 -2.184 1.00 0.00 C ATOM 999 C GLY A 69 -10.540 -11.998 -3.417 1.00 0.00 C ATOM 1000 O GLY A 69 -10.703 -13.086 -3.972 1.00 0.00 O ATOM 0 H GLY A 69 -11.344 -9.538 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.687 -11.647 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.112 -12.382 -2.018 1.00 0.00 H new ATOM 1004 N SER A 70 -9.677 -11.085 -3.850 1.00 0.00 N ATOM 1005 CA SER A 70 -8.849 -11.310 -5.030 1.00 0.00 C ATOM 1006 C SER A 70 -7.385 -11.505 -4.649 1.00 0.00 C ATOM 1007 O SER A 70 -6.607 -12.077 -5.413 1.00 0.00 O ATOM 1008 CB SER A 70 -8.975 -10.128 -5.993 1.00 0.00 C ATOM 1009 OG SER A 70 -9.287 -8.932 -5.298 1.00 0.00 O ATOM 0 H SER A 70 -9.532 -10.181 -3.401 1.00 0.00 H new ATOM 0 HA SER A 70 -9.201 -12.219 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.041 -10.001 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.751 -10.337 -6.730 1.00 0.00 H new ATOM 0 HG SER A 70 -8.593 -8.751 -4.630 1.00 0.00 H new ATOM 1015 N GLY A 71 -7.010 -11.020 -3.470 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.635 -11.144 -3.022 1.00 0.00 C ATOM 1017 C GLY A 71 -4.702 -10.190 -3.745 1.00 0.00 C ATOM 1018 O GLY A 71 -3.487 -10.235 -3.550 1.00 0.00 O ATOM 0 H GLY A 71 -7.633 -10.544 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.586 -10.953 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.296 -12.168 -3.179 1.00 0.00 H new ATOM 1022 N THR A 72 -5.270 -9.320 -4.580 1.00 0.00 N ATOM 1023 CA THR A 72 -4.477 -8.353 -5.330 1.00 0.00 C ATOM 1024 C THR A 72 -4.879 -6.926 -4.969 1.00 0.00 C ATOM 1025 O THR A 72 -6.058 -6.634 -4.762 1.00 0.00 O ATOM 1026 CB THR A 72 -4.645 -8.579 -6.832 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.001 -8.429 -7.213 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.188 -9.948 -7.286 1.00 0.00 C ATOM 0 H THR A 72 -6.274 -9.267 -4.752 1.00 0.00 H new ATOM 0 HA THR A 72 -3.429 -8.495 -5.065 1.00 0.00 H new ATOM 0 HB THR A 72 -4.016 -7.828 -7.309 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.088 -8.576 -8.178 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.335 -10.042 -8.362 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.131 -10.075 -7.051 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.768 -10.714 -6.772 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.888 -6.043 -4.892 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.132 -4.648 -4.551 1.00 0.00 C ATOM 1038 C ILE A 73 -4.181 -3.770 -5.799 1.00 0.00 C ATOM 1039 O ILE A 73 -3.202 -3.673 -6.540 1.00 0.00 O ATOM 1040 CB ILE A 73 -3.041 -4.112 -3.610 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.836 -5.070 -2.433 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.405 -2.722 -3.111 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.610 -4.753 -1.604 1.00 0.00 C ATOM 0 H ILE A 73 -2.908 -6.270 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.098 -4.609 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.106 -4.043 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.717 -5.039 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.755 -6.088 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.622 -2.358 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.505 -2.045 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.350 -2.766 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.527 -5.471 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.721 -4.812 -2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.698 -3.747 -1.194 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.323 -3.129 -6.023 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.497 -2.257 -7.178 1.00 0.00 C ATOM 1057 C ASP A 74 -4.709 -0.961 -7.007 1.00 0.00 C ATOM 1058 O ASP A 74 -3.879 -0.842 -6.106 1.00 0.00 O ATOM 1059 CB ASP A 74 -6.980 -1.944 -7.391 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.847 -3.186 -7.330 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.321 -4.290 -7.580 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -9.053 -3.053 -7.034 1.00 0.00 O ATOM 0 H ASP A 74 -6.142 -3.197 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.115 -2.779 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.312 -1.235 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.111 -1.460 -8.359 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.974 0.007 -7.879 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.288 1.294 -7.827 1.00 0.00 C ATOM 1069 C PHE A 75 -4.541 1.995 -6.494 1.00 0.00 C ATOM 1070 O PHE A 75 -3.684 1.994 -5.610 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.745 2.185 -8.983 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.853 2.107 -10.189 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.758 0.935 -10.921 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -3.111 3.206 -10.591 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -2.938 0.860 -12.032 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.291 3.137 -11.700 1.00 0.00 C ATOM 1077 CZ PHE A 75 -2.204 1.962 -12.421 1.00 0.00 C ATOM 0 H PHE A 75 -5.659 -0.075 -8.630 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.218 1.111 -7.920 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.757 1.902 -9.271 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.788 3.219 -8.639 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.331 0.070 -10.621 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.175 4.127 -10.031 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.872 -0.060 -12.594 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.718 4.001 -12.003 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.562 1.906 -13.288 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.720 2.594 -6.358 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.080 3.300 -5.134 1.00 0.00 C ATOM 1089 C GLU A 76 -6.128 2.346 -3.946 1.00 0.00 C ATOM 1090 O GLU A 76 -5.887 2.745 -2.807 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.437 3.988 -5.290 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.488 4.996 -6.426 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.917 4.376 -7.740 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -9.083 3.939 -7.837 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -7.089 4.326 -8.672 1.00 0.00 O ATOM 0 H GLU A 76 -6.441 2.604 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.314 4.053 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.201 3.229 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.687 4.493 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.179 5.797 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.505 5.450 -6.547 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.447 1.084 -4.218 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.533 0.075 -3.169 1.00 0.00 C ATOM 1104 C GLU A 77 -5.278 0.070 -2.300 1.00 0.00 C ATOM 1105 O GLU A 77 -5.327 -0.315 -1.132 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.762 -1.309 -3.780 1.00 0.00 C ATOM 1107 CG GLU A 77 -8.206 -1.772 -3.689 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.432 -3.123 -4.345 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.433 -3.797 -4.674 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -9.605 -3.510 -4.526 1.00 0.00 O ATOM 0 H GLU A 77 -6.650 0.737 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.381 0.325 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.458 -1.292 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.123 -2.033 -3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.500 -1.828 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.851 -1.031 -4.161 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.158 0.511 -2.872 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.894 0.567 -2.140 1.00 0.00 C ATOM 1119 C PHE A 78 -2.978 1.559 -0.980 1.00 0.00 C ATOM 1120 O PHE A 78 -2.125 1.562 -0.094 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.752 0.957 -3.081 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.401 0.504 -2.606 1.00 0.00 C ATOM 1123 CD1 PHE A 78 -0.178 -0.820 -2.265 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.647 1.404 -2.501 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.064 -1.238 -1.827 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.892 0.992 -2.063 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.100 -0.331 -1.725 1.00 0.00 C ATOM 0 H PHE A 78 -4.101 0.834 -3.838 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.695 -0.424 -1.731 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.943 0.532 -4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.742 2.041 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.985 -1.534 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.490 2.440 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.224 -2.273 -1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.701 1.704 -1.985 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.071 -0.655 -1.382 1.00 0.00 H new ATOM 1137 N LEU A 79 -4.015 2.390 -0.979 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.210 3.357 0.090 1.00 0.00 C ATOM 1139 C LEU A 79 -5.158 2.789 1.138 1.00 0.00 C ATOM 1140 O LEU A 79 -4.902 2.881 2.337 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.762 4.670 -0.469 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.857 5.372 -1.487 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.389 5.179 -2.899 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.731 6.854 -1.163 1.00 0.00 C ATOM 0 H LEU A 79 -4.731 2.412 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.247 3.561 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.725 4.471 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.947 5.352 0.361 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.866 4.923 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.733 5.685 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.424 4.115 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.392 5.599 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.084 7.333 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.717 7.318 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.301 6.974 -0.169 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.251 2.186 0.672 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.235 1.588 1.565 1.00 0.00 C ATOM 1158 C VAL A 80 -6.608 0.475 2.389 1.00 0.00 C ATOM 1159 O VAL A 80 -6.946 0.289 3.558 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.434 1.011 0.792 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -9.517 0.549 1.756 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -8.986 2.036 -0.182 1.00 0.00 C ATOM 0 H VAL A 80 -6.475 2.100 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.588 2.384 2.220 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.092 0.148 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.357 0.144 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.115 -0.223 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.856 1.394 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.833 1.609 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.312 2.920 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.210 2.317 -0.894 1.00 0.00 H new ATOM 1172 N MET A 81 -5.687 -0.259 1.772 1.00 0.00 N ATOM 1173 CA MET A 81 -5.002 -1.353 2.447 1.00 0.00 C ATOM 1174 C MET A 81 -4.511 -0.904 3.814 1.00 0.00 C ATOM 1175 O MET A 81 -4.588 -1.642 4.796 1.00 0.00 O ATOM 1176 CB MET A 81 -3.816 -1.839 1.611 1.00 0.00 C ATOM 1177 CG MET A 81 -3.082 -0.734 0.881 1.00 0.00 C ATOM 1178 SD MET A 81 -1.331 -1.095 0.675 1.00 0.00 S ATOM 1179 CE MET A 81 -0.850 -1.290 2.383 1.00 0.00 C ATOM 0 H MET A 81 -5.398 -0.115 0.804 1.00 0.00 H new ATOM 0 HA MET A 81 -5.709 -2.173 2.571 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.114 -2.358 2.263 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.173 -2.567 0.882 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.537 -0.584 -0.098 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.196 0.200 1.432 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.133 -0.845 2.537 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.578 -0.793 3.025 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.811 -2.351 2.631 1.00 0.00 H new ATOM 1189 N MET A 82 -4.007 0.319 3.857 1.00 0.00 N ATOM 1190 CA MET A 82 -3.494 0.898 5.085 1.00 0.00 C ATOM 1191 C MET A 82 -4.567 1.709 5.807 1.00 0.00 C ATOM 1192 O MET A 82 -4.589 1.765 7.037 1.00 0.00 O ATOM 1193 CB MET A 82 -2.282 1.765 4.778 1.00 0.00 C ATOM 1194 CG MET A 82 -0.971 1.038 5.017 1.00 0.00 C ATOM 1195 SD MET A 82 0.262 2.086 5.795 1.00 0.00 S ATOM 1196 CE MET A 82 0.326 3.410 4.601 1.00 0.00 C ATOM 0 H MET A 82 -3.943 0.934 3.046 1.00 0.00 H new ATOM 0 HA MET A 82 -3.194 0.087 5.749 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.328 2.093 3.739 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.315 2.662 5.397 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.152 0.166 5.646 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.584 0.671 4.067 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.752 4.299 5.066 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.947 3.109 3.757 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.682 3.632 4.249 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.464 2.328 5.041 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.542 3.122 5.623 1.00 0.00 C ATOM 1208 C VAL A 83 -7.375 2.274 6.580 1.00 0.00 C ATOM 1209 O VAL A 83 -7.911 2.778 7.567 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.467 3.713 4.536 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.562 4.564 5.161 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.665 4.526 3.530 1.00 0.00 C ATOM 0 H VAL A 83 -5.465 2.295 4.022 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.077 3.944 6.168 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.940 2.885 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.201 4.969 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.160 3.950 5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.111 5.383 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.336 4.933 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.159 5.343 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.925 3.885 3.051 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.474 0.983 6.278 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.236 0.060 7.109 1.00 0.00 C ATOM 1224 C ARG A 84 -7.448 -0.323 8.359 1.00 0.00 C ATOM 1225 O ARG A 84 -8.028 -0.659 9.392 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.595 -1.197 6.314 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.499 -0.924 5.124 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.450 -2.083 4.874 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.752 -1.628 4.392 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.703 -1.134 5.182 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.502 -1.028 6.489 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.859 -0.743 4.663 1.00 0.00 N ATOM 0 H ARG A 84 -7.036 0.553 5.463 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.154 0.561 7.418 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.678 -1.669 5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.086 -1.909 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.071 -0.013 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.892 -0.751 4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.010 -2.762 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.582 -2.649 5.796 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.944 -1.693 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.615 -1.326 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.235 -0.649 7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.019 -0.821 3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.588 -0.365 5.268 1.00 0.00 H new ATOM 1246 N GLN A 85 -6.123 -0.260 8.261 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.255 -0.590 9.386 1.00 0.00 C ATOM 1248 C GLN A 85 -4.709 0.680 10.032 1.00 0.00 C ATOM 1249 O GLN A 85 -3.776 0.629 10.834 1.00 0.00 O ATOM 1250 CB GLN A 85 -4.098 -1.482 8.931 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.495 -2.523 7.895 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.680 -3.360 8.335 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -5.846 -3.646 9.521 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -6.512 -3.757 7.379 1.00 0.00 N ATOM 0 H GLN A 85 -5.627 0.017 7.414 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.847 -1.133 10.123 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.309 -0.854 8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.679 -1.989 9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.736 -2.023 6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.646 -3.177 7.699 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.335 -3.497 6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.328 -4.322 7.615 1.00 0.00 H new ATOM 1263 N MET A 86 -5.294 1.818 9.673 1.00 0.00 N ATOM 1264 CA MET A 86 -4.870 3.104 10.207 1.00 0.00 C ATOM 1265 C MET A 86 -5.988 3.742 11.025 1.00 0.00 C ATOM 1266 O MET A 86 -5.756 4.250 12.122 1.00 0.00 O ATOM 1267 CB MET A 86 -4.460 4.033 9.064 1.00 0.00 C ATOM 1268 CG MET A 86 -2.974 3.994 8.750 1.00 0.00 C ATOM 1269 SD MET A 86 -2.384 5.517 7.987 1.00 0.00 S ATOM 1270 CE MET A 86 -2.007 4.944 6.332 1.00 0.00 C ATOM 0 H MET A 86 -6.067 1.874 9.010 1.00 0.00 H new ATOM 0 HA MET A 86 -4.014 2.943 10.862 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.019 3.762 8.168 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.742 5.055 9.319 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.417 3.814 9.670 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.769 3.156 8.084 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.437 5.708 5.803 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.420 4.028 6.389 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.935 4.747 5.795 1.00 0.00 H new ATOM 1280 N LYS A 87 -7.200 3.712 10.481 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.356 4.287 11.158 1.00 0.00 C ATOM 1282 C LYS A 87 -9.568 3.366 11.040 1.00 0.00 C ATOM 1283 O LYS A 87 -10.591 3.737 10.463 1.00 0.00 O ATOM 1284 CB LYS A 87 -8.682 5.661 10.570 1.00 0.00 C ATOM 1285 CG LYS A 87 -8.917 5.642 9.069 1.00 0.00 C ATOM 1286 CD LYS A 87 -7.606 5.689 8.300 1.00 0.00 C ATOM 1287 CE LYS A 87 -7.295 7.096 7.814 1.00 0.00 C ATOM 1288 NZ LYS A 87 -6.573 7.892 8.845 1.00 0.00 N ATOM 0 H LYS A 87 -7.407 3.296 9.573 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.112 4.400 12.214 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.570 6.056 11.063 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.863 6.345 10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.468 4.741 8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.537 6.493 8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.796 5.336 8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.659 5.012 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.691 7.042 6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.223 7.602 7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.231 8.779 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.219 8.109 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.764 7.345 9.203 1.00 0.00 H new ATOM 1384 N SER B 117 1.738 2.180 10.501 1.00 0.00 N ATOM 1385 CA SER B 117 2.804 2.992 9.927 1.00 0.00 C ATOM 1386 C SER B 117 3.016 2.644 8.455 1.00 0.00 C ATOM 1387 O SER B 117 2.271 3.109 7.595 1.00 0.00 O ATOM 1388 CB SER B 117 4.100 2.814 10.722 1.00 0.00 C ATOM 1389 OG SER B 117 4.508 1.457 10.737 1.00 0.00 O ATOM 0 HA SER B 117 2.509 4.040 9.986 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.886 3.428 10.283 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.954 3.164 11.744 1.00 0.00 H new ATOM 0 HG SER B 117 3.720 0.878 10.675 1.00 0.00 H new ATOM 1395 N ALA B 118 4.035 1.839 8.160 1.00 0.00 N ATOM 1396 CA ALA B 118 4.330 1.453 6.783 1.00 0.00 C ATOM 1397 C ALA B 118 4.833 2.642 5.963 1.00 0.00 C ATOM 1398 O ALA B 118 5.565 2.462 4.990 1.00 0.00 O ATOM 1399 CB ALA B 118 3.108 0.829 6.128 1.00 0.00 C ATOM 0 H ALA B 118 4.668 1.443 8.854 1.00 0.00 H new ATOM 0 HA ALA B 118 5.127 0.710 6.811 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.348 0.548 5.103 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.809 -0.058 6.686 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.289 1.549 6.125 1.00 0.00 H new ATOM 1405 N ASP B 119 4.447 3.858 6.361 1.00 0.00 N ATOM 1406 CA ASP B 119 4.872 5.063 5.662 1.00 0.00 C ATOM 1407 C ASP B 119 6.371 5.027 5.407 1.00 0.00 C ATOM 1408 O ASP B 119 6.860 5.576 4.421 1.00 0.00 O ATOM 1409 CB ASP B 119 4.510 6.307 6.475 1.00 0.00 C ATOM 1410 CG ASP B 119 4.581 7.578 5.649 1.00 0.00 C ATOM 1411 OD1 ASP B 119 4.413 7.493 4.415 1.00 0.00 O ATOM 1412 OD2 ASP B 119 4.805 8.656 6.239 1.00 0.00 O ATOM 0 H ASP B 119 3.841 4.028 7.164 1.00 0.00 H new ATOM 0 HA ASP B 119 4.353 5.106 4.704 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.503 6.194 6.878 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.186 6.391 7.326 1.00 0.00 H new ATOM 1417 N ALA B 120 7.097 4.360 6.301 1.00 0.00 N ATOM 1418 CA ALA B 120 8.544 4.236 6.163 1.00 0.00 C ATOM 1419 C ALA B 120 8.903 3.701 4.782 1.00 0.00 C ATOM 1420 O ALA B 120 9.701 4.302 4.061 1.00 0.00 O ATOM 1421 CB ALA B 120 9.108 3.333 7.251 1.00 0.00 C ATOM 0 H ALA B 120 6.709 3.900 7.124 1.00 0.00 H new ATOM 0 HA ALA B 120 8.988 5.225 6.275 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.189 3.252 7.133 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.881 3.757 8.229 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.659 2.343 7.171 1.00 0.00 H new ATOM 1427 N MET B 121 8.290 2.582 4.407 1.00 0.00 N ATOM 1428 CA MET B 121 8.531 1.989 3.099 1.00 0.00 C ATOM 1429 C MET B 121 8.039 2.935 2.014 1.00 0.00 C ATOM 1430 O MET B 121 8.625 3.026 0.935 1.00 0.00 O ATOM 1431 CB MET B 121 7.820 0.638 2.978 1.00 0.00 C ATOM 1432 CG MET B 121 7.924 0.014 1.593 1.00 0.00 C ATOM 1433 SD MET B 121 6.395 -0.787 1.075 1.00 0.00 S ATOM 1434 CE MET B 121 5.261 0.597 1.111 1.00 0.00 C ATOM 0 H MET B 121 7.626 2.071 4.989 1.00 0.00 H new ATOM 0 HA MET B 121 9.602 1.824 2.980 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.241 -0.051 3.710 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.768 0.767 3.231 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.188 0.786 0.870 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.732 -0.717 1.588 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.649 0.589 0.209 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.617 0.517 1.987 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.825 1.528 1.159 1.00 0.00 H new ATOM 1444 N LEU B 122 6.958 3.646 2.318 1.00 0.00 N ATOM 1445 CA LEU B 122 6.383 4.597 1.382 1.00 0.00 C ATOM 1446 C LEU B 122 7.358 5.743 1.137 1.00 0.00 C ATOM 1447 O LEU B 122 7.509 6.213 0.011 1.00 0.00 O ATOM 1448 CB LEU B 122 5.055 5.138 1.922 1.00 0.00 C ATOM 1449 CG LEU B 122 3.860 4.185 1.800 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.995 3.020 2.772 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.558 4.933 2.048 1.00 0.00 C ATOM 0 H LEU B 122 6.464 3.579 3.208 1.00 0.00 H new ATOM 0 HA LEU B 122 6.192 4.088 0.437 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.187 5.396 2.973 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.817 6.062 1.395 1.00 0.00 H new ATOM 0 HG LEU B 122 3.846 3.784 0.786 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.136 2.357 2.667 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.908 2.467 2.553 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.037 3.401 3.793 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.719 4.243 1.958 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.570 5.361 3.050 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.452 5.731 1.314 1.00 0.00 H new ATOM 1463 N ARG B 123 8.023 6.184 2.202 1.00 0.00 N ATOM 1464 CA ARG B 123 8.992 7.271 2.103 1.00 0.00 C ATOM 1465 C ARG B 123 10.397 6.735 1.820 1.00 0.00 C ATOM 1466 O ARG B 123 11.380 7.470 1.919 1.00 0.00 O ATOM 1467 CB ARG B 123 8.999 8.092 3.392 1.00 0.00 C ATOM 1468 CG ARG B 123 9.603 9.478 3.228 1.00 0.00 C ATOM 1469 CD ARG B 123 9.742 10.187 4.565 1.00 0.00 C ATOM 1470 NE ARG B 123 9.571 11.632 4.438 1.00 0.00 N ATOM 1471 CZ ARG B 123 9.979 12.510 5.351 1.00 0.00 C ATOM 1472 NH1 ARG B 123 10.582 12.095 6.458 1.00 0.00 N ATOM 1473 NH2 ARG B 123 9.785 13.807 5.157 1.00 0.00 N ATOM 0 H ARG B 123 7.908 5.806 3.142 1.00 0.00 H new ATOM 0 HA ARG B 123 8.695 7.910 1.271 1.00 0.00 H new ATOM 0 HB2 ARG B 123 7.976 8.191 3.755 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.557 7.550 4.155 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.582 9.396 2.755 1.00 0.00 H new ATOM 0 HG3 ARG B 123 8.977 10.073 2.563 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.002 9.794 5.262 1.00 0.00 H new ATOM 0 HD3 ARG B 123 10.724 9.974 4.988 1.00 0.00 H new ATOM 0 HE ARG B 123 9.112 11.989 3.600 1.00 0.00 H new ATOM 0 HH11 ARG B 123 10.735 11.098 6.613 1.00 0.00 H new ATOM 0 HH12 ARG B 123 10.893 12.773 7.154 1.00 0.00 H new ATOM 0 HH21 ARG B 123 9.323 14.132 4.308 1.00 0.00 H new ATOM 0 HH22 ARG B 123 10.098 14.480 5.857 1.00 0.00 H new ATOM 1487 N ALA B 124 10.488 5.452 1.473 1.00 0.00 N ATOM 1488 CA ALA B 124 11.773 4.828 1.184 1.00 0.00 C ATOM 1489 C ALA B 124 12.283 5.223 -0.196 1.00 0.00 C ATOM 1490 O ALA B 124 13.209 6.024 -0.322 1.00 0.00 O ATOM 1491 CB ALA B 124 11.656 3.314 1.290 1.00 0.00 C ATOM 0 H ALA B 124 9.687 4.827 1.386 1.00 0.00 H new ATOM 0 HA ALA B 124 12.494 5.183 1.921 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.622 2.858 1.072 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.346 3.043 2.299 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.916 2.955 0.575 1.00 0.00 H new ATOM 1497 N LEU B 125 11.675 4.650 -1.228 1.00 0.00 N ATOM 1498 CA LEU B 125 12.066 4.933 -2.603 1.00 0.00 C ATOM 1499 C LEU B 125 11.559 6.301 -3.048 1.00 0.00 C ATOM 1500 O LEU B 125 12.118 6.914 -3.957 1.00 0.00 O ATOM 1501 CB LEU B 125 11.531 3.843 -3.530 1.00 0.00 C ATOM 1502 CG LEU B 125 11.843 2.416 -3.086 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.795 1.452 -3.616 1.00 0.00 C ATOM 1504 CD2 LEU B 125 13.233 2.007 -3.547 1.00 0.00 C ATOM 0 H LEU B 125 10.907 3.985 -1.138 1.00 0.00 H new ATOM 0 HA LEU B 125 13.155 4.945 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.450 3.955 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.945 3.997 -4.526 1.00 0.00 H new ATOM 0 HG LEU B 125 11.820 2.380 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU B 125 11.034 0.440 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.814 1.735 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.784 1.489 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.439 0.987 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.286 2.059 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.973 2.682 -3.116 1.00 0.00 H new