USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 MET CE :methyl 166:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 GLN : amide:sc= -1.43 K(o=-1.4,f=-5.7!) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.0308 USER MOD Set 2.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 18 MET CE :methyl 160:sc= -1.29 (180deg=-0.437) USER MOD Set 3.2: A 82 MET CE :methyl -178:sc= -5.29! (180deg=-5.48!) USER MOD Set 3.3: A 86 MET CE :methyl -158:sc= -6.05! (180deg=-8.63!) USER MOD Single : A 6 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.5) USER MOD Single : A 7 GLN : amide:sc= -0.476 K(o=-0.48,f=-2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -115:sc= -0.513 (180deg=-0.95) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0644 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= -8.74! (180deg=-8.74!) USER MOD Single : A 52 ASN : amide:sc= -0.468 K(o=-0.47,f=0.77) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 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 -125:sc= 0.54 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -145:sc= -2.44 (180deg=-4.05!) USER MOD Single : A 85 GLN : amide:sc= -2.61! K(o=-2.6!,f=-2.1) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.0314 (180deg=-0.399) USER MOD Single : B 117 SER OG : rot -15:sc= 0.488 USER MOD Single : B 121 MET CE :methyl 153:sc= -5.96! (180deg=-7.53!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.054 2.507 -1.136 1.00 0.00 N ATOM 68 CA GLN A 6 -13.129 2.604 -0.013 1.00 0.00 C ATOM 69 C GLN A 6 -11.747 3.060 -0.478 1.00 0.00 C ATOM 70 O GLN A 6 -10.979 3.632 0.295 1.00 0.00 O ATOM 71 CB GLN A 6 -13.021 1.257 0.705 1.00 0.00 C ATOM 72 CG GLN A 6 -12.397 0.161 -0.144 1.00 0.00 C ATOM 73 CD GLN A 6 -11.898 -1.005 0.686 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.340 -1.211 1.816 1.00 0.00 O ATOM 75 NE2 GLN A 6 -10.971 -1.776 0.128 1.00 0.00 N ATOM 0 HA GLN A 6 -13.520 3.348 0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.428 1.385 1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.016 0.941 1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.132 -0.198 -0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.567 0.577 -0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.633 -1.568 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.597 -2.576 0.639 1.00 0.00 H new ATOM 84 N GLN A 7 -11.441 2.806 -1.747 1.00 0.00 N ATOM 85 CA GLN A 7 -10.155 3.193 -2.316 1.00 0.00 C ATOM 86 C GLN A 7 -10.118 4.689 -2.612 1.00 0.00 C ATOM 87 O GLN A 7 -9.046 5.285 -2.712 1.00 0.00 O ATOM 88 CB GLN A 7 -9.879 2.404 -3.599 1.00 0.00 C ATOM 89 CG GLN A 7 -10.300 0.944 -3.526 1.00 0.00 C ATOM 90 CD GLN A 7 -11.185 0.533 -4.687 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.824 1.371 -5.323 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.227 -0.765 -4.967 1.00 0.00 N ATOM 0 H GLN A 7 -12.066 2.334 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.381 2.964 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.402 2.882 -4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.813 2.454 -3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.411 0.314 -3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.831 0.769 -2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.680 -1.424 -4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.806 -1.102 -5.736 1.00 0.00 H new ATOM 101 N ALA A 8 -11.295 5.292 -2.748 1.00 0.00 N ATOM 102 CA ALA A 8 -11.394 6.718 -3.029 1.00 0.00 C ATOM 103 C ALA A 8 -11.228 7.534 -1.754 1.00 0.00 C ATOM 104 O ALA A 8 -10.422 8.461 -1.699 1.00 0.00 O ATOM 105 CB ALA A 8 -12.724 7.035 -3.694 1.00 0.00 C ATOM 0 H ALA A 8 -12.193 4.814 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.589 6.988 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.783 8.104 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.804 6.482 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.540 6.746 -3.032 1.00 0.00 H new ATOM 111 N GLU A 9 -11.989 7.174 -0.722 1.00 0.00 N ATOM 112 CA GLU A 9 -11.913 7.869 0.557 1.00 0.00 C ATOM 113 C GLU A 9 -10.486 7.834 1.088 1.00 0.00 C ATOM 114 O GLU A 9 -10.001 8.803 1.668 1.00 0.00 O ATOM 115 CB GLU A 9 -12.866 7.231 1.570 1.00 0.00 C ATOM 116 CG GLU A 9 -14.304 7.147 1.082 1.00 0.00 C ATOM 117 CD GLU A 9 -15.130 8.348 1.496 1.00 0.00 C ATOM 118 OE1 GLU A 9 -14.871 8.900 2.586 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.037 8.737 0.731 1.00 0.00 O ATOM 0 H GLU A 9 -12.662 6.408 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.210 8.907 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.512 6.228 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.838 7.806 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.311 7.063 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.765 6.241 1.475 1.00 0.00 H new ATOM 126 N ALA A 10 -9.819 6.704 0.868 1.00 0.00 N ATOM 127 CA ALA A 10 -8.441 6.517 1.302 1.00 0.00 C ATOM 128 C ALA A 10 -7.582 7.733 0.967 1.00 0.00 C ATOM 129 O ALA A 10 -6.968 8.334 1.848 1.00 0.00 O ATOM 130 CB ALA A 10 -7.866 5.272 0.646 1.00 0.00 C ATOM 0 H ALA A 10 -10.217 5.898 0.387 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.436 6.396 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.835 5.133 0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.458 4.403 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.892 5.387 -0.438 1.00 0.00 H new ATOM 136 N ARG A 11 -7.549 8.091 -0.314 1.00 0.00 N ATOM 137 CA ARG A 11 -6.770 9.238 -0.769 1.00 0.00 C ATOM 138 C ARG A 11 -7.121 10.489 0.033 1.00 0.00 C ATOM 139 O ARG A 11 -6.308 11.403 0.164 1.00 0.00 O ATOM 140 CB ARG A 11 -7.012 9.482 -2.261 1.00 0.00 C ATOM 141 CG ARG A 11 -5.756 9.355 -3.109 1.00 0.00 C ATOM 142 CD ARG A 11 -6.006 9.787 -4.543 1.00 0.00 C ATOM 143 NE ARG A 11 -6.376 11.199 -4.633 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.399 11.889 -5.770 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.074 11.303 -6.916 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.748 13.168 -5.762 1.00 0.00 N ATOM 0 H ARG A 11 -8.053 7.603 -1.055 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.714 9.017 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.757 8.772 -2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.431 10.479 -2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.962 9.964 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.409 8.322 -3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.110 9.609 -5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.800 9.176 -4.973 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.632 11.684 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.805 10.319 -6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.093 11.837 -7.785 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.999 13.623 -4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.766 13.697 -6.634 1.00 0.00 H new ATOM 160 N ALA A 12 -8.338 10.519 0.568 1.00 0.00 N ATOM 161 CA ALA A 12 -8.797 11.652 1.359 1.00 0.00 C ATOM 162 C ALA A 12 -8.604 11.399 2.852 1.00 0.00 C ATOM 163 O ALA A 12 -8.574 12.336 3.649 1.00 0.00 O ATOM 164 CB ALA A 12 -10.259 11.947 1.057 1.00 0.00 C ATOM 0 H ALA A 12 -9.023 9.770 0.467 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.197 12.520 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.590 12.796 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.372 12.182 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.864 11.074 1.301 1.00 0.00 H new ATOM 170 N PHE A 13 -8.476 10.127 3.228 1.00 0.00 N ATOM 171 CA PHE A 13 -8.288 9.762 4.626 1.00 0.00 C ATOM 172 C PHE A 13 -6.872 10.089 5.092 1.00 0.00 C ATOM 173 O PHE A 13 -6.632 10.293 6.282 1.00 0.00 O ATOM 174 CB PHE A 13 -8.575 8.271 4.827 1.00 0.00 C ATOM 175 CG PHE A 13 -9.897 8.000 5.487 1.00 0.00 C ATOM 176 CD1 PHE A 13 -10.141 8.426 6.783 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.897 7.319 4.810 1.00 0.00 C ATOM 178 CE1 PHE A 13 -11.357 8.178 7.391 1.00 0.00 C ATOM 179 CE2 PHE A 13 -12.114 7.068 5.413 1.00 0.00 C ATOM 180 CZ PHE A 13 -12.344 7.499 6.706 1.00 0.00 C ATOM 0 H PHE A 13 -8.499 9.336 2.584 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.988 10.345 5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.552 7.771 3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.780 7.834 5.431 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.372 8.958 7.324 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.722 6.981 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -11.535 8.515 8.401 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.885 6.536 4.875 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.295 7.305 7.180 1.00 0.00 H new ATOM 190 N LEU A 14 -5.937 10.136 4.148 1.00 0.00 N ATOM 191 CA LEU A 14 -4.546 10.437 4.466 1.00 0.00 C ATOM 192 C LEU A 14 -4.134 11.788 3.892 1.00 0.00 C ATOM 193 O LEU A 14 -4.873 12.397 3.118 1.00 0.00 O ATOM 194 CB LEU A 14 -3.627 9.341 3.923 1.00 0.00 C ATOM 195 CG LEU A 14 -4.190 7.920 4.018 1.00 0.00 C ATOM 196 CD1 LEU A 14 -4.477 7.363 2.631 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.228 7.014 4.770 1.00 0.00 C ATOM 0 H LEU A 14 -6.117 9.970 3.158 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.451 10.479 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.404 9.559 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.682 9.378 4.465 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.128 7.959 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.876 6.353 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.206 7.998 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.555 7.339 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.645 6.009 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.273 6.981 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.075 7.402 5.777 1.00 0.00 H new ATOM 209 N SER A 15 -2.949 12.247 4.274 1.00 0.00 N ATOM 210 CA SER A 15 -2.431 13.525 3.797 1.00 0.00 C ATOM 211 C SER A 15 -1.664 13.341 2.494 1.00 0.00 C ATOM 212 O SER A 15 -1.230 12.236 2.171 1.00 0.00 O ATOM 213 CB SER A 15 -1.514 14.154 4.850 1.00 0.00 C ATOM 214 OG SER A 15 -1.697 15.558 4.912 1.00 0.00 O ATOM 0 H SER A 15 -2.327 11.753 4.914 1.00 0.00 H new ATOM 0 HA SER A 15 -3.277 14.188 3.617 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.720 13.714 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.474 13.930 4.612 1.00 0.00 H new ATOM 0 HG SER A 15 -1.102 15.936 5.593 1.00 0.00 H new ATOM 220 N GLU A 16 -1.484 14.432 1.753 1.00 0.00 N ATOM 221 CA GLU A 16 -0.750 14.381 0.493 1.00 0.00 C ATOM 222 C GLU A 16 0.593 13.683 0.692 1.00 0.00 C ATOM 223 O GLU A 16 1.137 13.077 -0.231 1.00 0.00 O ATOM 224 CB GLU A 16 -0.532 15.792 -0.056 1.00 0.00 C ATOM 225 CG GLU A 16 -1.596 16.229 -1.050 1.00 0.00 C ATOM 226 CD GLU A 16 -2.584 17.212 -0.454 1.00 0.00 C ATOM 227 OE1 GLU A 16 -3.529 16.764 0.228 1.00 0.00 O ATOM 228 OE2 GLU A 16 -2.412 18.430 -0.670 1.00 0.00 O ATOM 0 H GLU A 16 -1.835 15.357 2.002 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.339 13.814 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.511 16.497 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.445 15.839 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.114 16.684 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.134 15.352 -1.409 1.00 0.00 H new ATOM 235 N GLU A 17 1.110 13.767 1.915 1.00 0.00 N ATOM 236 CA GLU A 17 2.379 13.142 2.260 1.00 0.00 C ATOM 237 C GLU A 17 2.308 11.632 2.055 1.00 0.00 C ATOM 238 O GLU A 17 3.133 11.050 1.352 1.00 0.00 O ATOM 239 CB GLU A 17 2.731 13.455 3.716 1.00 0.00 C ATOM 240 CG GLU A 17 3.638 14.664 3.876 1.00 0.00 C ATOM 241 CD GLU A 17 2.877 15.974 3.824 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.648 15.957 4.047 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.509 17.018 3.559 1.00 0.00 O ATOM 0 H GLU A 17 0.665 14.265 2.686 1.00 0.00 H new ATOM 0 HA GLU A 17 3.154 13.543 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.811 13.625 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.217 12.585 4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.168 14.593 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.392 14.655 3.089 1.00 0.00 H new ATOM 250 N MET A 18 1.313 11.006 2.675 1.00 0.00 N ATOM 251 CA MET A 18 1.126 9.563 2.564 1.00 0.00 C ATOM 252 C MET A 18 0.928 9.149 1.108 1.00 0.00 C ATOM 253 O MET A 18 1.249 8.025 0.724 1.00 0.00 O ATOM 254 CB MET A 18 -0.076 9.122 3.405 1.00 0.00 C ATOM 255 CG MET A 18 0.184 7.874 4.235 1.00 0.00 C ATOM 256 SD MET A 18 1.044 8.232 5.781 1.00 0.00 S ATOM 257 CE MET A 18 0.675 6.755 6.727 1.00 0.00 C ATOM 0 H MET A 18 0.622 11.476 3.261 1.00 0.00 H new ATOM 0 HA MET A 18 2.024 9.072 2.939 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.362 9.937 4.070 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.923 8.938 2.744 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.765 7.386 4.457 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.775 7.170 3.650 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.397 6.652 7.537 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.329 6.832 7.144 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.732 5.882 6.076 1.00 0.00 H new ATOM 267 N ILE A 19 0.399 10.065 0.301 1.00 0.00 N ATOM 268 CA ILE A 19 0.160 9.796 -1.111 1.00 0.00 C ATOM 269 C ILE A 19 1.470 9.810 -1.893 1.00 0.00 C ATOM 270 O ILE A 19 1.881 8.798 -2.458 1.00 0.00 O ATOM 271 CB ILE A 19 -0.814 10.829 -1.719 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.238 10.565 -1.227 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.760 10.802 -3.242 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.259 11.540 -1.772 1.00 0.00 C ATOM 0 H ILE A 19 0.128 11.001 0.603 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.290 8.806 -1.183 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.508 11.822 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.529 9.553 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.251 10.609 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.455 11.539 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.251 11.038 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.037 9.810 -3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.245 11.291 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.993 12.553 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.275 11.480 -2.860 1.00 0.00 H new ATOM 286 N ALA A 20 2.120 10.969 -1.915 1.00 0.00 N ATOM 287 CA ALA A 20 3.384 11.127 -2.624 1.00 0.00 C ATOM 288 C ALA A 20 4.363 10.014 -2.261 1.00 0.00 C ATOM 289 O ALA A 20 5.239 9.662 -3.051 1.00 0.00 O ATOM 290 CB ALA A 20 3.981 12.489 -2.312 1.00 0.00 C ATOM 0 H ALA A 20 1.791 11.814 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 20 3.191 11.059 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.926 12.603 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.290 13.270 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.156 12.572 -1.239 1.00 0.00 H new ATOM 296 N GLU A 21 4.197 9.454 -1.068 1.00 0.00 N ATOM 297 CA GLU A 21 5.049 8.370 -0.603 1.00 0.00 C ATOM 298 C GLU A 21 4.448 7.029 -1.005 1.00 0.00 C ATOM 299 O GLU A 21 5.168 6.063 -1.259 1.00 0.00 O ATOM 300 CB GLU A 21 5.223 8.441 0.915 1.00 0.00 C ATOM 301 CG GLU A 21 5.724 9.788 1.407 1.00 0.00 C ATOM 302 CD GLU A 21 5.432 10.018 2.877 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.838 9.173 3.701 1.00 0.00 O ATOM 304 OE2 GLU A 21 4.798 11.043 3.204 1.00 0.00 O ATOM 0 H GLU A 21 3.476 9.736 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 21 6.030 8.471 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.268 8.221 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.922 7.666 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.799 9.855 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.260 10.580 0.820 1.00 0.00 H new ATOM 311 N PHE A 22 3.120 6.984 -1.076 1.00 0.00 N ATOM 312 CA PHE A 22 2.416 5.769 -1.468 1.00 0.00 C ATOM 313 C PHE A 22 2.839 5.355 -2.872 1.00 0.00 C ATOM 314 O PHE A 22 2.913 4.168 -3.189 1.00 0.00 O ATOM 315 CB PHE A 22 0.901 5.993 -1.420 1.00 0.00 C ATOM 316 CG PHE A 22 0.226 5.297 -0.273 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.406 3.940 -0.066 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.591 6.001 0.596 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.215 3.297 0.989 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.214 5.365 1.652 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.026 4.012 1.849 1.00 0.00 C ATOM 0 H PHE A 22 2.511 7.775 -0.867 1.00 0.00 H new ATOM 0 HA PHE A 22 2.673 4.973 -0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.702 7.063 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.461 5.645 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.039 3.377 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.743 7.060 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.066 2.238 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.848 5.926 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.512 3.513 2.674 1.00 0.00 H new ATOM 331 N LYS A 23 3.124 6.351 -3.705 1.00 0.00 N ATOM 332 CA LYS A 23 3.553 6.105 -5.075 1.00 0.00 C ATOM 333 C LYS A 23 5.033 5.727 -5.122 1.00 0.00 C ATOM 334 O LYS A 23 5.551 5.339 -6.168 1.00 0.00 O ATOM 335 CB LYS A 23 3.303 7.344 -5.937 1.00 0.00 C ATOM 336 CG LYS A 23 3.196 7.039 -7.423 1.00 0.00 C ATOM 337 CD LYS A 23 1.828 6.481 -7.779 1.00 0.00 C ATOM 338 CE LYS A 23 1.389 6.927 -9.165 1.00 0.00 C ATOM 339 NZ LYS A 23 1.592 5.859 -10.183 1.00 0.00 N ATOM 0 H LYS A 23 3.065 7.338 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 23 2.971 5.272 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.383 7.827 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.112 8.057 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.380 7.948 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.967 6.322 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.856 5.392 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.096 6.810 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.336 7.208 -9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.950 7.816 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.280 6.203 -11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.600 5.608 -10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.037 5.019 -9.921 1.00 0.00 H new ATOM 353 N ALA A 24 5.712 5.848 -3.981 1.00 0.00 N ATOM 354 CA ALA A 24 7.133 5.523 -3.892 1.00 0.00 C ATOM 355 C ALA A 24 7.452 4.176 -4.536 1.00 0.00 C ATOM 356 O ALA A 24 8.036 4.116 -5.618 1.00 0.00 O ATOM 357 CB ALA A 24 7.579 5.520 -2.437 1.00 0.00 C ATOM 0 H ALA A 24 5.299 6.169 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 24 7.679 6.290 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.640 5.276 -2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.410 6.505 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.007 4.776 -1.883 1.00 0.00 H new ATOM 363 N ALA A 25 7.079 3.100 -3.853 1.00 0.00 N ATOM 364 CA ALA A 25 7.338 1.751 -4.342 1.00 0.00 C ATOM 365 C ALA A 25 6.377 1.344 -5.459 1.00 0.00 C ATOM 366 O ALA A 25 6.492 0.249 -6.009 1.00 0.00 O ATOM 367 CB ALA A 25 7.253 0.757 -3.193 1.00 0.00 C ATOM 0 H ALA A 25 6.595 3.136 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 25 8.344 1.744 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.448 -0.248 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.994 1.012 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.256 0.794 -2.753 1.00 0.00 H new ATOM 373 N PHE A 26 5.427 2.216 -5.790 1.00 0.00 N ATOM 374 CA PHE A 26 4.451 1.923 -6.840 1.00 0.00 C ATOM 375 C PHE A 26 5.124 1.356 -8.089 1.00 0.00 C ATOM 376 O PHE A 26 4.519 0.585 -8.835 1.00 0.00 O ATOM 377 CB PHE A 26 3.664 3.185 -7.201 1.00 0.00 C ATOM 378 CG PHE A 26 2.177 2.982 -7.206 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.531 2.524 -8.343 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.424 3.250 -6.073 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.161 2.336 -8.350 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.054 3.064 -6.075 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.578 2.606 -7.215 1.00 0.00 C ATOM 0 H PHE A 26 5.311 3.128 -5.349 1.00 0.00 H new ATOM 0 HA PHE A 26 3.766 1.169 -6.453 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.913 3.974 -6.491 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.979 3.531 -8.186 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.104 2.311 -9.234 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.913 3.608 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.331 1.978 -9.243 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.522 3.277 -5.186 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.648 2.459 -7.219 1.00 0.00 H new ATOM 393 N ASP A 27 6.377 1.740 -8.312 1.00 0.00 N ATOM 394 CA ASP A 27 7.124 1.265 -9.471 1.00 0.00 C ATOM 395 C ASP A 27 7.795 -0.075 -9.179 1.00 0.00 C ATOM 396 O ASP A 27 7.566 -1.060 -9.881 1.00 0.00 O ATOM 397 CB ASP A 27 8.176 2.299 -9.882 1.00 0.00 C ATOM 398 CG ASP A 27 7.757 3.096 -11.101 1.00 0.00 C ATOM 399 OD1 ASP A 27 6.543 3.138 -11.394 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.642 3.679 -11.763 1.00 0.00 O ATOM 0 H ASP A 27 6.895 2.377 -7.707 1.00 0.00 H new ATOM 0 HA ASP A 27 6.421 1.124 -10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.356 2.980 -9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.118 1.792 -10.089 1.00 0.00 H new ATOM 405 N MET A 28 8.624 -0.103 -8.140 1.00 0.00 N ATOM 406 CA MET A 28 9.328 -1.322 -7.758 1.00 0.00 C ATOM 407 C MET A 28 8.346 -2.443 -7.426 1.00 0.00 C ATOM 408 O MET A 28 8.660 -3.623 -7.586 1.00 0.00 O ATOM 409 CB MET A 28 10.239 -1.053 -6.557 1.00 0.00 C ATOM 410 CG MET A 28 11.637 -1.628 -6.715 1.00 0.00 C ATOM 411 SD MET A 28 12.607 -0.761 -7.964 1.00 0.00 S ATOM 412 CE MET A 28 12.803 0.842 -7.189 1.00 0.00 C ATOM 0 H MET A 28 8.824 0.703 -7.548 1.00 0.00 H new ATOM 0 HA MET A 28 9.936 -1.639 -8.605 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.313 0.023 -6.401 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.781 -1.474 -5.662 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.156 -1.578 -5.758 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.564 -2.682 -6.984 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.286 1.598 -7.781 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.379 0.815 -6.185 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.863 1.090 -7.129 1.00 0.00 H new ATOM 422 N PHE A 29 7.158 -2.067 -6.965 1.00 0.00 N ATOM 423 CA PHE A 29 6.131 -3.041 -6.609 1.00 0.00 C ATOM 424 C PHE A 29 5.773 -3.919 -7.805 1.00 0.00 C ATOM 425 O PHE A 29 6.165 -5.085 -7.873 1.00 0.00 O ATOM 426 CB PHE A 29 4.880 -2.329 -6.092 1.00 0.00 C ATOM 427 CG PHE A 29 4.713 -2.423 -4.602 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.313 -3.610 -4.013 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.955 -1.327 -3.793 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.157 -3.701 -2.645 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.801 -1.411 -2.422 1.00 0.00 C ATOM 432 CZ PHE A 29 4.402 -2.600 -1.847 1.00 0.00 C ATOM 0 H PHE A 29 6.882 -1.095 -6.829 1.00 0.00 H new ATOM 0 HA PHE A 29 6.530 -3.679 -5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.924 -1.279 -6.380 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.002 -2.756 -6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.121 -4.475 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.268 -0.394 -4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.843 -4.633 -2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.993 -0.548 -1.802 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.282 -2.670 -0.776 1.00 0.00 H new ATOM 442 N ASP A 30 5.021 -3.352 -8.743 1.00 0.00 N ATOM 443 CA ASP A 30 4.601 -4.080 -9.936 1.00 0.00 C ATOM 444 C ASP A 30 5.794 -4.716 -10.642 1.00 0.00 C ATOM 445 O ASP A 30 6.704 -4.022 -11.096 1.00 0.00 O ATOM 446 CB ASP A 30 3.865 -3.148 -10.897 1.00 0.00 C ATOM 447 CG ASP A 30 2.527 -2.693 -10.350 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.597 -3.525 -10.288 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.408 -1.505 -9.983 1.00 0.00 O ATOM 0 H ASP A 30 4.689 -2.388 -8.700 1.00 0.00 H new ATOM 0 HA ASP A 30 3.925 -4.875 -9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.487 -2.276 -11.101 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.711 -3.659 -11.848 1.00 0.00 H new ATOM 454 N ALA A 31 5.776 -6.039 -10.735 1.00 0.00 N ATOM 455 CA ALA A 31 6.850 -6.777 -11.388 1.00 0.00 C ATOM 456 C ALA A 31 6.529 -7.014 -12.859 1.00 0.00 C ATOM 457 O ALA A 31 7.358 -6.765 -13.735 1.00 0.00 O ATOM 458 CB ALA A 31 7.083 -8.102 -10.680 1.00 0.00 C ATOM 0 H ALA A 31 5.027 -6.625 -10.365 1.00 0.00 H new ATOM 0 HA ALA A 31 7.760 -6.180 -11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.888 -8.644 -11.177 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.358 -7.916 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.171 -8.697 -10.713 1.00 0.00 H new ATOM 464 N ASP A 32 5.318 -7.492 -13.121 1.00 0.00 N ATOM 465 CA ASP A 32 4.879 -7.760 -14.485 1.00 0.00 C ATOM 466 C ASP A 32 4.382 -6.483 -15.157 1.00 0.00 C ATOM 467 O ASP A 32 4.359 -6.385 -16.383 1.00 0.00 O ATOM 468 CB ASP A 32 3.772 -8.817 -14.489 1.00 0.00 C ATOM 469 CG ASP A 32 2.646 -8.481 -13.529 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.715 -7.418 -12.878 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.694 -9.283 -13.430 1.00 0.00 O ATOM 0 H ASP A 32 4.622 -7.702 -12.406 1.00 0.00 H new ATOM 0 HA ASP A 32 5.733 -8.137 -15.048 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.369 -8.913 -15.497 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.197 -9.785 -14.222 1.00 0.00 H new ATOM 497 N ASP A 36 -1.355 -5.736 -10.345 1.00 0.00 N ATOM 498 CA ASP A 36 -1.542 -5.196 -9.002 1.00 0.00 C ATOM 499 C ASP A 36 -0.479 -5.727 -8.044 1.00 0.00 C ATOM 500 O ASP A 36 0.442 -6.435 -8.452 1.00 0.00 O ATOM 501 CB ASP A 36 -2.936 -5.546 -8.479 1.00 0.00 C ATOM 502 CG ASP A 36 -3.998 -4.585 -8.977 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.631 -3.505 -9.486 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.198 -4.911 -8.857 1.00 0.00 O ATOM 0 HA ASP A 36 -1.443 -4.112 -9.059 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.193 -6.559 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.925 -5.538 -7.389 1.00 0.00 H new ATOM 509 N ILE A 37 -0.614 -5.376 -6.770 1.00 0.00 N ATOM 510 CA ILE A 37 0.333 -5.812 -5.752 1.00 0.00 C ATOM 511 C ILE A 37 -0.216 -6.994 -4.956 1.00 0.00 C ATOM 512 O ILE A 37 -1.263 -6.893 -4.316 1.00 0.00 O ATOM 513 CB ILE A 37 0.679 -4.653 -4.791 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.458 -3.571 -5.537 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.475 -5.152 -3.592 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.694 -2.325 -4.715 1.00 0.00 C ATOM 0 H ILE A 37 -1.371 -4.790 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 37 1.240 -6.130 -6.266 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.253 -4.227 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.419 -3.977 -5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.915 -3.302 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.704 -4.314 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.888 -5.892 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.404 -5.608 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.252 -1.599 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.736 -1.895 -4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.264 -2.581 -3.822 1.00 0.00 H new ATOM 528 N SER A 38 0.504 -8.110 -4.999 1.00 0.00 N ATOM 529 CA SER A 38 0.101 -9.313 -4.282 1.00 0.00 C ATOM 530 C SER A 38 0.994 -9.540 -3.064 1.00 0.00 C ATOM 531 O SER A 38 1.706 -8.634 -2.630 1.00 0.00 O ATOM 532 CB SER A 38 0.159 -10.528 -5.211 1.00 0.00 C ATOM 533 OG SER A 38 1.486 -11.011 -5.335 1.00 0.00 O ATOM 0 H SER A 38 1.373 -8.206 -5.525 1.00 0.00 H new ATOM 0 HA SER A 38 -0.925 -9.180 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.484 -11.318 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.226 -10.257 -6.194 1.00 0.00 H new ATOM 0 HG SER A 38 1.497 -11.788 -5.932 1.00 0.00 H new ATOM 539 N THR A 39 0.952 -10.750 -2.518 1.00 0.00 N ATOM 540 CA THR A 39 1.759 -11.091 -1.351 1.00 0.00 C ATOM 541 C THR A 39 3.247 -11.096 -1.692 1.00 0.00 C ATOM 542 O THR A 39 4.091 -10.842 -0.832 1.00 0.00 O ATOM 543 CB THR A 39 1.348 -12.459 -0.803 1.00 0.00 C ATOM 544 OG1 THR A 39 1.066 -13.358 -1.860 1.00 0.00 O ATOM 545 CG2 THR A 39 0.128 -12.405 0.091 1.00 0.00 C ATOM 0 H THR A 39 0.368 -11.511 -2.864 1.00 0.00 H new ATOM 0 HA THR A 39 1.584 -10.331 -0.590 1.00 0.00 H new ATOM 0 HB THR A 39 2.197 -12.799 -0.210 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.807 -14.227 -1.490 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.109 -13.408 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.331 -11.758 0.944 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.718 -12.010 -0.471 1.00 0.00 H new ATOM 553 N LYS A 40 3.562 -11.390 -2.949 1.00 0.00 N ATOM 554 CA LYS A 40 4.949 -11.432 -3.398 1.00 0.00 C ATOM 555 C LYS A 40 5.473 -10.031 -3.705 1.00 0.00 C ATOM 556 O LYS A 40 6.628 -9.715 -3.425 1.00 0.00 O ATOM 557 CB LYS A 40 5.077 -12.317 -4.640 1.00 0.00 C ATOM 558 CG LYS A 40 5.220 -13.795 -4.318 1.00 0.00 C ATOM 559 CD LYS A 40 4.632 -14.663 -5.419 1.00 0.00 C ATOM 560 CE LYS A 40 3.915 -15.876 -4.850 1.00 0.00 C ATOM 561 NZ LYS A 40 2.548 -15.538 -4.367 1.00 0.00 N ATOM 0 H LYS A 40 2.877 -11.602 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 40 5.549 -11.853 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.200 -12.174 -5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.942 -11.994 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.274 -14.039 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.720 -14.013 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.935 -14.074 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.427 -14.990 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.849 -16.650 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.499 -16.290 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.093 -16.392 -3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.612 -14.818 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.982 -15.167 -5.157 1.00 0.00 H new ATOM 575 N GLU A 41 4.615 -9.197 -4.284 1.00 0.00 N ATOM 576 CA GLU A 41 4.996 -7.831 -4.632 1.00 0.00 C ATOM 577 C GLU A 41 5.286 -6.997 -3.385 1.00 0.00 C ATOM 578 O GLU A 41 5.904 -5.936 -3.472 1.00 0.00 O ATOM 579 CB GLU A 41 3.891 -7.168 -5.458 1.00 0.00 C ATOM 580 CG GLU A 41 3.690 -7.804 -6.824 1.00 0.00 C ATOM 581 CD GLU A 41 3.519 -6.777 -7.926 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.938 -5.704 -7.654 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.964 -7.046 -9.062 1.00 0.00 O ATOM 0 H GLU A 41 3.654 -9.441 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 41 5.909 -7.881 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.955 -7.216 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.130 -6.113 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.545 -8.439 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.812 -8.449 -6.795 1.00 0.00 H new ATOM 590 N LEU A 42 4.839 -7.476 -2.227 1.00 0.00 N ATOM 591 CA LEU A 42 5.059 -6.761 -0.975 1.00 0.00 C ATOM 592 C LEU A 42 6.435 -7.077 -0.397 1.00 0.00 C ATOM 593 O LEU A 42 7.274 -6.189 -0.255 1.00 0.00 O ATOM 594 CB LEU A 42 3.967 -7.110 0.041 1.00 0.00 C ATOM 595 CG LEU A 42 3.056 -5.945 0.438 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.881 -4.750 0.898 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.147 -5.561 -0.720 1.00 0.00 C ATOM 0 H LEU A 42 4.325 -8.352 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 42 5.015 -5.693 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.351 -7.909 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.441 -7.504 0.940 1.00 0.00 H new ATOM 0 HG LEU A 42 2.431 -6.265 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.215 -3.933 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.485 -5.035 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.535 -4.426 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.506 -4.732 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.753 -5.261 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.529 -6.415 -0.996 1.00 0.00 H new ATOM 609 N GLY A 43 6.660 -8.345 -0.068 1.00 0.00 N ATOM 610 CA GLY A 43 7.938 -8.754 0.491 1.00 0.00 C ATOM 611 C GLY A 43 9.116 -8.205 -0.290 1.00 0.00 C ATOM 612 O GLY A 43 10.192 -7.989 0.265 1.00 0.00 O ATOM 0 H GLY A 43 5.981 -9.098 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.003 -8.417 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.992 -9.843 0.507 1.00 0.00 H new ATOM 616 N THR A 44 8.911 -7.980 -1.582 1.00 0.00 N ATOM 617 CA THR A 44 9.960 -7.452 -2.446 1.00 0.00 C ATOM 618 C THR A 44 10.448 -6.092 -1.947 1.00 0.00 C ATOM 619 O THR A 44 11.529 -5.981 -1.370 1.00 0.00 O ATOM 620 CB THR A 44 9.440 -7.341 -3.889 1.00 0.00 C ATOM 621 OG1 THR A 44 9.670 -8.547 -4.594 1.00 0.00 O ATOM 622 CG2 THR A 44 10.070 -6.218 -4.691 1.00 0.00 C ATOM 0 H THR A 44 8.025 -8.156 -2.056 1.00 0.00 H new ATOM 0 HA THR A 44 10.806 -8.139 -2.424 1.00 0.00 H new ATOM 0 HB THR A 44 8.376 -7.128 -3.786 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.332 -8.460 -5.510 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.649 -6.208 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.867 -5.264 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.147 -6.373 -4.750 1.00 0.00 H new ATOM 630 N VAL A 45 9.643 -5.064 -2.189 1.00 0.00 N ATOM 631 CA VAL A 45 9.982 -3.706 -1.786 1.00 0.00 C ATOM 632 C VAL A 45 10.075 -3.568 -0.269 1.00 0.00 C ATOM 633 O VAL A 45 10.757 -2.679 0.239 1.00 0.00 O ATOM 634 CB VAL A 45 8.939 -2.705 -2.319 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.554 -3.055 -1.797 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.321 -1.275 -1.952 1.00 0.00 C ATOM 0 H VAL A 45 8.745 -5.147 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 45 10.960 -3.485 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 45 8.919 -2.773 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.828 -2.339 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.284 -4.058 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.556 -3.019 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.570 -0.587 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.376 -1.180 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.291 -1.035 -2.387 1.00 0.00 H new ATOM 646 N MET A 46 9.379 -4.437 0.453 1.00 0.00 N ATOM 647 CA MET A 46 9.386 -4.385 1.911 1.00 0.00 C ATOM 648 C MET A 46 10.672 -4.978 2.484 1.00 0.00 C ATOM 649 O MET A 46 11.151 -4.541 3.529 1.00 0.00 O ATOM 650 CB MET A 46 8.169 -5.121 2.474 1.00 0.00 C ATOM 651 CG MET A 46 6.917 -4.260 2.548 1.00 0.00 C ATOM 652 SD MET A 46 7.144 -2.786 3.563 1.00 0.00 S ATOM 653 CE MET A 46 5.507 -2.599 4.264 1.00 0.00 C ATOM 0 H MET A 46 8.806 -5.182 0.057 1.00 0.00 H new ATOM 0 HA MET A 46 9.338 -3.337 2.208 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.964 -5.994 1.854 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.407 -5.488 3.472 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.627 -3.961 1.541 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.097 -4.853 2.954 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.545 -1.894 5.095 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.825 -2.224 3.501 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.153 -3.565 4.624 1.00 0.00 H new ATOM 663 N ARG A 47 11.225 -5.976 1.801 1.00 0.00 N ATOM 664 CA ARG A 47 12.452 -6.622 2.259 1.00 0.00 C ATOM 665 C ARG A 47 13.689 -5.845 1.819 1.00 0.00 C ATOM 666 O ARG A 47 14.711 -5.847 2.507 1.00 0.00 O ATOM 667 CB ARG A 47 12.530 -8.057 1.735 1.00 0.00 C ATOM 668 CG ARG A 47 11.539 -9.002 2.397 1.00 0.00 C ATOM 669 CD ARG A 47 11.350 -10.272 1.582 1.00 0.00 C ATOM 670 NE ARG A 47 12.401 -11.253 1.845 1.00 0.00 N ATOM 671 CZ ARG A 47 12.431 -12.035 2.921 1.00 0.00 C ATOM 672 NH1 ARG A 47 11.474 -11.954 3.837 1.00 0.00 N ATOM 673 NH2 ARG A 47 13.422 -12.902 3.082 1.00 0.00 N ATOM 0 H ARG A 47 10.846 -6.354 0.933 1.00 0.00 H new ATOM 0 HA ARG A 47 12.427 -6.638 3.349 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.352 -8.052 0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.540 -8.437 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.891 -9.259 3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.579 -8.499 2.517 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.379 -10.710 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.343 -10.024 0.521 1.00 0.00 H new ATOM 0 HE ARG A 47 13.155 -11.343 1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.709 -11.289 3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.503 -12.556 4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.160 -12.969 2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.446 -13.502 3.907 1.00 0.00 H new ATOM 687 N MET A 48 13.597 -5.183 0.669 1.00 0.00 N ATOM 688 CA MET A 48 14.718 -4.410 0.146 1.00 0.00 C ATOM 689 C MET A 48 14.681 -2.964 0.640 1.00 0.00 C ATOM 690 O MET A 48 15.436 -2.119 0.159 1.00 0.00 O ATOM 691 CB MET A 48 14.715 -4.437 -1.383 1.00 0.00 C ATOM 692 CG MET A 48 13.485 -3.792 -2.001 1.00 0.00 C ATOM 693 SD MET A 48 13.896 -2.594 -3.285 1.00 0.00 S ATOM 694 CE MET A 48 12.497 -1.483 -3.166 1.00 0.00 C ATOM 0 H MET A 48 12.761 -5.166 0.084 1.00 0.00 H new ATOM 0 HA MET A 48 15.635 -4.870 0.513 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.605 -3.926 -1.749 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.780 -5.472 -1.720 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.847 -4.568 -2.425 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.908 -3.297 -1.220 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.604 -0.684 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.577 -2.034 -3.361 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.457 -1.054 -2.165 1.00 0.00 H new ATOM 704 N LEU A 49 13.803 -2.682 1.599 1.00 0.00 N ATOM 705 CA LEU A 49 13.682 -1.336 2.147 1.00 0.00 C ATOM 706 C LEU A 49 13.986 -1.325 3.642 1.00 0.00 C ATOM 707 O LEU A 49 14.611 -0.395 4.152 1.00 0.00 O ATOM 708 CB LEU A 49 12.277 -0.784 1.896 1.00 0.00 C ATOM 709 CG LEU A 49 12.043 -0.223 0.493 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.650 0.381 0.386 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.106 0.810 0.146 1.00 0.00 C ATOM 0 H LEU A 49 13.168 -3.365 2.011 1.00 0.00 H new ATOM 0 HA LEU A 49 14.410 -0.700 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.553 -1.578 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.077 0.003 2.623 1.00 0.00 H new ATOM 0 HG LEU A 49 12.117 -1.042 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.501 0.775 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.904 -0.387 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.547 1.188 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.923 1.198 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.066 1.628 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.091 0.344 0.180 1.00 0.00 H new ATOM 723 N GLY A 50 13.539 -2.365 4.339 1.00 0.00 N ATOM 724 CA GLY A 50 13.774 -2.454 5.769 1.00 0.00 C ATOM 725 C GLY A 50 12.748 -3.323 6.469 1.00 0.00 C ATOM 726 O GLY A 50 13.056 -3.988 7.458 1.00 0.00 O ATOM 0 H GLY A 50 13.019 -3.147 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.771 -2.858 5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.754 -1.453 6.201 1.00 0.00 H new ATOM 730 N GLN A 51 11.523 -3.318 5.952 1.00 0.00 N ATOM 731 CA GLN A 51 10.445 -4.111 6.531 1.00 0.00 C ATOM 732 C GLN A 51 10.707 -5.603 6.337 1.00 0.00 C ATOM 733 O GLN A 51 11.486 -5.996 5.468 1.00 0.00 O ATOM 734 CB GLN A 51 9.107 -3.720 5.898 1.00 0.00 C ATOM 735 CG GLN A 51 8.107 -3.150 6.892 1.00 0.00 C ATOM 736 CD GLN A 51 7.152 -4.200 7.426 1.00 0.00 C ATOM 737 OE1 GLN A 51 6.147 -4.520 6.792 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.461 -4.740 8.599 1.00 0.00 N ATOM 0 H GLN A 51 11.253 -2.773 5.133 1.00 0.00 H new ATOM 0 HA GLN A 51 10.403 -3.908 7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.287 -2.985 5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.671 -4.597 5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.646 -2.697 7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.536 -2.355 6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.305 -4.444 9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.855 -5.450 9.009 1.00 0.00 H new ATOM 747 N ASN A 52 10.060 -6.430 7.151 1.00 0.00 N ATOM 748 CA ASN A 52 10.239 -7.875 7.061 1.00 0.00 C ATOM 749 C ASN A 52 8.935 -8.619 7.354 1.00 0.00 C ATOM 750 O ASN A 52 8.905 -9.535 8.176 1.00 0.00 O ATOM 751 CB ASN A 52 11.327 -8.330 8.032 1.00 0.00 C ATOM 752 CG ASN A 52 11.851 -9.715 7.705 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.194 -10.720 7.976 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.042 -9.774 7.119 1.00 0.00 N ATOM 0 H ASN A 52 9.410 -6.127 7.877 1.00 0.00 H new ATOM 0 HA ASN A 52 10.541 -8.112 6.041 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.152 -7.618 8.009 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.930 -8.325 9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.446 -10.678 6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.552 -8.915 6.913 1.00 0.00 H new ATOM 761 N PRO A 53 7.838 -8.239 6.679 1.00 0.00 N ATOM 762 CA PRO A 53 6.535 -8.880 6.870 1.00 0.00 C ATOM 763 C PRO A 53 6.493 -10.285 6.276 1.00 0.00 C ATOM 764 O PRO A 53 6.473 -10.453 5.057 1.00 0.00 O ATOM 765 CB PRO A 53 5.574 -7.955 6.121 1.00 0.00 C ATOM 766 CG PRO A 53 6.415 -7.315 5.070 1.00 0.00 C ATOM 767 CD PRO A 53 7.783 -7.159 5.676 1.00 0.00 C ATOM 0 HA PRO A 53 6.291 -9.007 7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.747 -8.513 5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.138 -7.211 6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.454 -7.931 4.172 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.005 -6.349 4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.568 -7.265 4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.910 -6.178 6.134 1.00 0.00 H new ATOM 775 N THR A 54 6.483 -11.291 7.146 1.00 0.00 N ATOM 776 CA THR A 54 6.445 -12.681 6.707 1.00 0.00 C ATOM 777 C THR A 54 5.240 -12.940 5.807 1.00 0.00 C ATOM 778 O THR A 54 4.468 -12.027 5.511 1.00 0.00 O ATOM 779 CB THR A 54 6.402 -13.618 7.915 1.00 0.00 C ATOM 780 OG1 THR A 54 5.242 -13.381 8.692 1.00 0.00 O ATOM 781 CG2 THR A 54 7.602 -13.474 8.827 1.00 0.00 C ATOM 0 H THR A 54 6.501 -11.169 8.159 1.00 0.00 H new ATOM 0 HA THR A 54 7.351 -12.877 6.133 1.00 0.00 H new ATOM 0 HB THR A 54 6.400 -14.626 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.232 -13.991 9.459 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.509 -14.167 9.663 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.512 -13.698 8.270 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.651 -12.453 9.205 1.00 0.00 H new ATOM 789 N LYS A 55 5.086 -14.187 5.375 1.00 0.00 N ATOM 790 CA LYS A 55 3.974 -14.565 4.509 1.00 0.00 C ATOM 791 C LYS A 55 2.638 -14.231 5.164 1.00 0.00 C ATOM 792 O LYS A 55 1.786 -13.576 4.562 1.00 0.00 O ATOM 793 CB LYS A 55 4.039 -16.058 4.181 1.00 0.00 C ATOM 794 CG LYS A 55 3.733 -16.373 2.726 1.00 0.00 C ATOM 795 CD LYS A 55 2.917 -17.649 2.590 1.00 0.00 C ATOM 796 CE LYS A 55 1.864 -17.524 1.499 1.00 0.00 C ATOM 797 NZ LYS A 55 1.720 -18.784 0.720 1.00 0.00 N ATOM 0 H LYS A 55 5.717 -14.953 5.610 1.00 0.00 H new ATOM 0 HA LYS A 55 4.056 -13.995 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.033 -16.432 4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.333 -16.593 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.187 -15.542 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.666 -16.476 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.580 -18.484 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.433 -17.876 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.906 -17.263 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.133 -16.710 0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.993 -18.658 -0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.628 -19.020 0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.438 -19.556 1.357 1.00 0.00 H new ATOM 811 N CYS A 56 2.463 -14.681 6.402 1.00 0.00 N ATOM 812 CA CYS A 56 1.231 -14.426 7.140 1.00 0.00 C ATOM 813 C CYS A 56 1.050 -12.932 7.391 1.00 0.00 C ATOM 814 O CYS A 56 -0.074 -12.435 7.460 1.00 0.00 O ATOM 815 CB CYS A 56 1.243 -15.181 8.470 1.00 0.00 C ATOM 816 SG CYS A 56 -0.367 -15.253 9.290 1.00 0.00 S ATOM 0 H CYS A 56 3.158 -15.224 6.915 1.00 0.00 H new ATOM 0 HA CYS A 56 0.394 -14.780 6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.596 -16.197 8.296 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.959 -14.705 9.140 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.257 -15.913 10.405 1.00 0.00 H new ATOM 822 N GLU A 57 2.166 -12.221 7.524 1.00 0.00 N ATOM 823 CA GLU A 57 2.134 -10.784 7.766 1.00 0.00 C ATOM 824 C GLU A 57 1.404 -10.060 6.639 1.00 0.00 C ATOM 825 O GLU A 57 0.403 -9.381 6.870 1.00 0.00 O ATOM 826 CB GLU A 57 3.558 -10.239 7.901 1.00 0.00 C ATOM 827 CG GLU A 57 3.751 -9.340 9.111 1.00 0.00 C ATOM 828 CD GLU A 57 3.071 -7.994 8.951 1.00 0.00 C ATOM 829 OE1 GLU A 57 1.861 -7.902 9.246 1.00 0.00 O ATOM 830 OE2 GLU A 57 3.749 -7.032 8.531 1.00 0.00 O ATOM 0 H GLU A 57 3.104 -12.618 7.468 1.00 0.00 H new ATOM 0 HA GLU A 57 1.594 -10.607 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.254 -11.075 7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.812 -9.681 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.357 -9.839 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.817 -9.187 9.279 1.00 0.00 H new ATOM 837 N LEU A 58 1.911 -10.212 5.421 1.00 0.00 N ATOM 838 CA LEU A 58 1.306 -9.573 4.257 1.00 0.00 C ATOM 839 C LEU A 58 -0.033 -10.221 3.920 1.00 0.00 C ATOM 840 O LEU A 58 -0.972 -9.545 3.501 1.00 0.00 O ATOM 841 CB LEU A 58 2.251 -9.659 3.056 1.00 0.00 C ATOM 842 CG LEU A 58 3.700 -9.261 3.343 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.626 -9.794 2.261 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.825 -7.749 3.455 1.00 0.00 C ATOM 0 H LEU A 58 2.738 -10.771 5.213 1.00 0.00 H new ATOM 0 HA LEU A 58 1.130 -8.524 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.239 -10.681 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.865 -9.019 2.262 1.00 0.00 H new ATOM 0 HG LEU A 58 3.995 -9.703 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.652 -9.500 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.559 -10.881 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.332 -9.383 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.862 -7.484 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.510 -7.288 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.192 -7.391 4.267 1.00 0.00 H new ATOM 856 N ASP A 59 -0.113 -11.534 4.111 1.00 0.00 N ATOM 857 CA ASP A 59 -1.341 -12.273 3.833 1.00 0.00 C ATOM 858 C ASP A 59 -2.461 -11.832 4.762 1.00 0.00 C ATOM 859 O ASP A 59 -3.640 -11.951 4.427 1.00 0.00 O ATOM 860 CB ASP A 59 -1.101 -13.777 3.977 1.00 0.00 C ATOM 861 CG ASP A 59 -2.183 -14.601 3.307 1.00 0.00 C ATOM 862 OD1 ASP A 59 -3.199 -14.897 3.970 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.016 -14.949 2.119 1.00 0.00 O ATOM 0 H ASP A 59 0.656 -12.108 4.457 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.640 -12.059 2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.134 -14.031 3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.054 -14.035 5.035 1.00 0.00 H new ATOM 868 N ALA A 60 -2.093 -11.319 5.929 1.00 0.00 N ATOM 869 CA ALA A 60 -3.077 -10.859 6.893 1.00 0.00 C ATOM 870 C ALA A 60 -3.658 -9.516 6.469 1.00 0.00 C ATOM 871 O ALA A 60 -4.826 -9.222 6.729 1.00 0.00 O ATOM 872 CB ALA A 60 -2.461 -10.763 8.280 1.00 0.00 C ATOM 0 H ALA A 60 -1.124 -11.212 6.228 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.889 -11.586 6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.213 -10.417 8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.099 -11.744 8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.629 -10.059 8.261 1.00 0.00 H new ATOM 878 N ILE A 61 -2.838 -8.708 5.806 1.00 0.00 N ATOM 879 CA ILE A 61 -3.269 -7.402 5.334 1.00 0.00 C ATOM 880 C ILE A 61 -4.061 -7.542 4.037 1.00 0.00 C ATOM 881 O ILE A 61 -5.234 -7.176 3.976 1.00 0.00 O ATOM 882 CB ILE A 61 -2.059 -6.460 5.120 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.595 -5.883 6.460 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.399 -5.334 4.153 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.869 -6.887 7.330 1.00 0.00 C ATOM 0 H ILE A 61 -1.869 -8.937 5.584 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.912 -6.963 6.097 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.250 -7.046 4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.938 -5.034 6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.461 -5.503 7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.529 -4.690 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.685 -5.756 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.227 -4.749 4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.569 -6.410 8.263 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.530 -7.726 7.547 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.016 -7.249 6.807 1.00 0.00 H new ATOM 897 N ILE A 62 -3.413 -8.085 3.005 1.00 0.00 N ATOM 898 CA ILE A 62 -4.055 -8.286 1.707 1.00 0.00 C ATOM 899 C ILE A 62 -5.469 -8.838 1.871 1.00 0.00 C ATOM 900 O ILE A 62 -6.404 -8.384 1.211 1.00 0.00 O ATOM 901 CB ILE A 62 -3.236 -9.246 0.820 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.847 -8.659 0.558 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.961 -9.517 -0.492 1.00 0.00 C ATOM 904 CD1 ILE A 62 -1.019 -9.474 -0.410 1.00 0.00 C ATOM 0 H ILE A 62 -2.442 -8.394 3.044 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.106 -7.311 1.223 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.122 -10.195 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.957 -7.647 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.311 -8.579 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.366 -10.196 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.931 -9.970 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.106 -8.579 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.048 -8.999 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.878 -10.479 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.534 -9.533 -1.369 1.00 0.00 H new ATOM 916 N CYS A 63 -5.618 -9.812 2.762 1.00 0.00 N ATOM 917 CA CYS A 63 -6.920 -10.417 3.020 1.00 0.00 C ATOM 918 C CYS A 63 -7.907 -9.360 3.498 1.00 0.00 C ATOM 919 O CYS A 63 -9.066 -9.343 3.083 1.00 0.00 O ATOM 920 CB CYS A 63 -6.792 -11.530 4.060 1.00 0.00 C ATOM 921 SG CYS A 63 -8.062 -12.810 3.930 1.00 0.00 S ATOM 0 H CYS A 63 -4.855 -10.199 3.317 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.293 -10.849 2.092 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.811 -11.995 3.960 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.836 -11.089 5.056 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.869 -13.708 4.850 1.00 0.00 H new ATOM 927 N GLU A 64 -7.435 -8.470 4.367 1.00 0.00 N ATOM 928 CA GLU A 64 -8.269 -7.398 4.892 1.00 0.00 C ATOM 929 C GLU A 64 -8.459 -6.315 3.835 1.00 0.00 C ATOM 930 O GLU A 64 -9.531 -5.720 3.724 1.00 0.00 O ATOM 931 CB GLU A 64 -7.637 -6.799 6.151 1.00 0.00 C ATOM 932 CG GLU A 64 -8.167 -7.400 7.442 1.00 0.00 C ATOM 933 CD GLU A 64 -7.183 -7.277 8.589 1.00 0.00 C ATOM 934 OE1 GLU A 64 -6.212 -8.062 8.627 1.00 0.00 O ATOM 935 OE2 GLU A 64 -7.383 -6.395 9.451 1.00 0.00 O ATOM 0 H GLU A 64 -6.479 -8.472 4.721 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.243 -7.811 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.557 -6.943 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.815 -5.724 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.099 -6.905 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.401 -8.452 7.280 1.00 0.00 H new ATOM 942 N VAL A 65 -7.409 -6.076 3.054 1.00 0.00 N ATOM 943 CA VAL A 65 -7.455 -5.077 1.995 1.00 0.00 C ATOM 944 C VAL A 65 -8.456 -5.486 0.920 1.00 0.00 C ATOM 945 O VAL A 65 -9.383 -4.740 0.599 1.00 0.00 O ATOM 946 CB VAL A 65 -6.069 -4.884 1.339 1.00 0.00 C ATOM 947 CG1 VAL A 65 -6.140 -3.852 0.222 1.00 0.00 C ATOM 948 CG2 VAL A 65 -5.029 -4.487 2.380 1.00 0.00 C ATOM 0 H VAL A 65 -6.516 -6.562 3.136 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.763 -4.136 2.451 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.764 -5.835 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.153 -3.732 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.845 -4.187 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.472 -2.897 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.061 -4.357 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.327 -3.552 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.954 -5.269 3.136 1.00 0.00 H new ATOM 958 N ASP A 66 -8.256 -6.677 0.366 1.00 0.00 N ATOM 959 CA ASP A 66 -9.131 -7.197 -0.676 1.00 0.00 C ATOM 960 C ASP A 66 -10.512 -7.526 -0.120 1.00 0.00 C ATOM 961 O ASP A 66 -10.724 -8.596 0.450 1.00 0.00 O ATOM 962 CB ASP A 66 -8.511 -8.443 -1.307 1.00 0.00 C ATOM 963 CG ASP A 66 -7.230 -8.133 -2.057 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.201 -7.878 -1.396 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.257 -8.144 -3.306 1.00 0.00 O ATOM 0 H ASP A 66 -7.492 -7.302 0.623 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.246 -6.427 -1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.305 -9.177 -0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.229 -8.897 -1.991 1.00 0.00 H new ATOM 970 N GLU A 67 -11.450 -6.600 -0.293 1.00 0.00 N ATOM 971 CA GLU A 67 -12.812 -6.794 0.189 1.00 0.00 C ATOM 972 C GLU A 67 -13.568 -7.773 -0.703 1.00 0.00 C ATOM 973 O GLU A 67 -14.477 -8.469 -0.248 1.00 0.00 O ATOM 974 CB GLU A 67 -13.553 -5.455 0.238 1.00 0.00 C ATOM 975 CG GLU A 67 -13.404 -4.728 1.565 1.00 0.00 C ATOM 976 CD GLU A 67 -14.703 -4.103 2.035 1.00 0.00 C ATOM 977 OE1 GLU A 67 -15.156 -3.128 1.399 1.00 0.00 O ATOM 978 OE2 GLU A 67 -15.268 -4.588 3.038 1.00 0.00 O ATOM 0 H GLU A 67 -11.292 -5.709 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.760 -7.210 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.182 -4.814 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.612 -5.627 0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.047 -5.428 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.646 -3.951 1.467 1.00 0.00 H new ATOM 985 N ASP A 68 -13.186 -7.824 -1.976 1.00 0.00 N ATOM 986 CA ASP A 68 -13.827 -8.719 -2.932 1.00 0.00 C ATOM 987 C ASP A 68 -13.265 -10.133 -2.817 1.00 0.00 C ATOM 988 O ASP A 68 -13.963 -11.112 -3.080 1.00 0.00 O ATOM 989 CB ASP A 68 -13.637 -8.196 -4.358 1.00 0.00 C ATOM 990 CG ASP A 68 -12.178 -8.151 -4.770 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.458 -7.239 -4.309 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.755 -9.027 -5.552 1.00 0.00 O ATOM 0 H ASP A 68 -12.436 -7.256 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.892 -8.752 -2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.188 -8.832 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.064 -7.196 -4.435 1.00 0.00 H new ATOM 997 N GLY A 69 -11.999 -10.232 -2.426 1.00 0.00 N ATOM 998 CA GLY A 69 -11.365 -11.531 -2.286 1.00 0.00 C ATOM 999 C GLY A 69 -10.559 -11.915 -3.510 1.00 0.00 C ATOM 1000 O GLY A 69 -10.726 -13.007 -4.054 1.00 0.00 O ATOM 0 H GLY A 69 -11.400 -9.437 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.713 -11.522 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.129 -12.287 -2.105 1.00 0.00 H new ATOM 1004 N SER A 70 -9.686 -11.013 -3.948 1.00 0.00 N ATOM 1005 CA SER A 70 -8.852 -11.259 -5.119 1.00 0.00 C ATOM 1006 C SER A 70 -7.387 -11.428 -4.727 1.00 0.00 C ATOM 1007 O SER A 70 -6.614 -12.065 -5.443 1.00 0.00 O ATOM 1008 CB SER A 70 -8.990 -10.108 -6.118 1.00 0.00 C ATOM 1009 OG SER A 70 -9.276 -8.889 -5.454 1.00 0.00 O ATOM 0 H SER A 70 -9.538 -10.104 -3.509 1.00 0.00 H new ATOM 0 HA SER A 70 -9.192 -12.184 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.068 -10.006 -6.690 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.784 -10.333 -6.830 1.00 0.00 H new ATOM 0 HG SER A 70 -10.096 -8.500 -5.823 1.00 0.00 H new ATOM 1015 N GLY A 71 -7.009 -10.848 -3.592 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.634 -10.942 -3.135 1.00 0.00 C ATOM 1017 C GLY A 71 -4.718 -9.955 -3.837 1.00 0.00 C ATOM 1018 O GLY A 71 -3.518 -9.915 -3.565 1.00 0.00 O ATOM 0 H GLY A 71 -7.629 -10.316 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.599 -10.764 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.268 -11.955 -3.302 1.00 0.00 H new ATOM 1022 N THR A 72 -5.283 -9.158 -4.743 1.00 0.00 N ATOM 1023 CA THR A 72 -4.505 -8.171 -5.482 1.00 0.00 C ATOM 1024 C THR A 72 -4.893 -6.754 -5.071 1.00 0.00 C ATOM 1025 O THR A 72 -6.060 -6.477 -4.787 1.00 0.00 O ATOM 1026 CB THR A 72 -4.713 -8.353 -6.986 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.092 -8.348 -7.305 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.122 -9.639 -7.520 1.00 0.00 C ATOM 0 H THR A 72 -6.275 -9.178 -4.981 1.00 0.00 H new ATOM 0 HA THR A 72 -3.452 -8.322 -5.246 1.00 0.00 H new ATOM 0 HB THR A 72 -4.197 -7.514 -7.453 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.205 -8.464 -8.272 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.305 -9.706 -8.593 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.048 -9.651 -7.333 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.587 -10.488 -7.019 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.908 -5.862 -5.038 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.146 -4.476 -4.660 1.00 0.00 C ATOM 1038 C ILE A 73 -4.175 -3.564 -5.884 1.00 0.00 C ATOM 1039 O ILE A 73 -3.188 -3.454 -6.613 1.00 0.00 O ATOM 1040 CB ILE A 73 -3.064 -3.975 -3.685 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.902 -4.954 -2.520 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.410 -2.584 -3.173 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.635 -4.737 -1.720 1.00 0.00 C ATOM 0 H ILE A 73 -2.938 -6.076 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.118 -4.443 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.116 -3.916 -4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.762 -4.862 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.907 -5.972 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.635 -2.246 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.476 -1.893 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.367 -2.615 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.586 -5.466 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.769 -4.858 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.637 -3.730 -1.302 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.312 -2.912 -6.104 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.474 -2.010 -7.241 1.00 0.00 C ATOM 1057 C ASP A 74 -4.664 -0.730 -7.042 1.00 0.00 C ATOM 1058 O ASP A 74 -3.835 -0.643 -6.137 1.00 0.00 O ATOM 1059 CB ASP A 74 -6.954 -1.670 -7.440 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.520 -2.279 -8.708 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.236 -1.743 -9.801 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.246 -3.290 -8.609 1.00 0.00 O ATOM 0 H ASP A 74 -6.137 -2.991 -5.509 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.102 -2.516 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.525 -2.027 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.074 -0.587 -7.475 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.911 0.259 -7.897 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.203 1.534 -7.816 1.00 0.00 C ATOM 1069 C PHE A 75 -4.465 2.220 -6.479 1.00 0.00 C ATOM 1070 O PHE A 75 -3.595 2.253 -5.609 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.621 2.450 -8.969 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.798 3.703 -9.068 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.949 4.722 -8.140 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -2.873 3.861 -10.086 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -3.194 5.876 -8.228 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.114 5.013 -10.180 1.00 0.00 C ATOM 1077 CZ PHE A 75 -2.274 6.021 -9.249 1.00 0.00 C ATOM 0 H PHE A 75 -5.594 0.203 -8.652 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.135 1.333 -7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.544 1.899 -9.906 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.669 2.722 -8.845 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.665 4.613 -7.339 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.743 3.075 -10.815 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.323 6.663 -7.500 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.397 5.125 -10.980 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.681 6.921 -9.319 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.670 2.762 -6.316 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.036 3.439 -5.078 1.00 0.00 C ATOM 1089 C GLU A 76 -6.064 2.454 -3.917 1.00 0.00 C ATOM 1090 O GLU A 76 -5.841 2.828 -2.765 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.403 4.112 -5.216 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.466 5.147 -6.327 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.700 6.551 -5.805 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -7.004 6.953 -4.848 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -8.578 7.250 -6.353 1.00 0.00 O ATOM 0 H GLU A 76 -6.405 2.745 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.285 4.202 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.157 3.347 -5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.659 4.591 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.534 5.124 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.266 4.883 -7.019 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.341 1.190 -4.227 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.400 0.147 -3.212 1.00 0.00 C ATOM 1104 C GLU A 77 -5.134 0.139 -2.358 1.00 0.00 C ATOM 1105 O GLU A 77 -5.168 -0.268 -1.200 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.599 -1.221 -3.867 1.00 0.00 C ATOM 1107 CG GLU A 77 -8.034 -1.720 -3.806 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.160 -3.188 -4.167 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.571 -4.027 -3.454 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -8.848 -3.498 -5.162 1.00 0.00 O ATOM 0 H GLU A 77 -6.528 0.865 -5.176 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.249 0.358 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.286 -1.165 -4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.949 -1.947 -3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.427 -1.562 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.649 -1.129 -4.485 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.024 0.594 -2.937 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.753 0.640 -2.220 1.00 0.00 C ATOM 1119 C PHE A 78 -2.818 1.613 -1.045 1.00 0.00 C ATOM 1120 O PHE A 78 -1.978 1.569 -0.148 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.617 1.037 -3.165 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.253 0.759 -2.603 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.056 -0.491 -2.091 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.718 1.747 -2.580 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.308 -0.750 -1.567 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.973 1.494 -2.058 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.268 0.244 -1.551 1.00 0.00 C ATOM 0 H PHE A 78 -3.980 0.935 -3.897 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.556 -0.358 -1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.731 0.499 -4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.699 2.100 -3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.690 -1.272 -2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.492 2.727 -2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.536 -1.728 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.721 2.273 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.247 0.043 -1.143 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.825 2.478 -1.043 1.00 0.00 N ATOM 1138 CA LEU A 79 -3.997 3.435 0.040 1.00 0.00 C ATOM 1139 C LEU A 79 -4.979 2.892 1.071 1.00 0.00 C ATOM 1140 O LEU A 79 -4.698 2.888 2.269 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.489 4.779 -0.503 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.572 5.432 -1.542 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.138 5.253 -2.943 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.376 6.909 -1.230 1.00 0.00 C ATOM 0 H LEU A 79 -4.532 2.536 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.031 3.590 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.473 4.635 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.615 5.468 0.333 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.600 4.940 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.473 5.723 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.225 4.190 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.123 5.717 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.722 7.355 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.341 7.415 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.924 7.016 -0.244 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.129 2.422 0.592 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.155 1.868 1.466 1.00 0.00 C ATOM 1158 C VAL A 80 -6.618 0.670 2.241 1.00 0.00 C ATOM 1159 O VAL A 80 -7.040 0.406 3.366 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.411 1.449 0.675 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -8.159 0.177 -0.124 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.596 1.274 1.612 1.00 0.00 C ATOM 0 H VAL A 80 -6.372 2.415 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.436 2.654 2.167 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.646 2.244 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.062 -0.094 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.344 0.345 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.890 -0.632 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.474 0.978 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.367 0.503 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.797 2.215 2.124 1.00 0.00 H new ATOM 1172 N MET A 81 -5.680 -0.048 1.630 1.00 0.00 N ATOM 1173 CA MET A 81 -5.080 -1.216 2.263 1.00 0.00 C ATOM 1174 C MET A 81 -4.554 -0.861 3.646 1.00 0.00 C ATOM 1175 O MET A 81 -4.718 -1.617 4.604 1.00 0.00 O ATOM 1176 CB MET A 81 -3.935 -1.764 1.408 1.00 0.00 C ATOM 1177 CG MET A 81 -3.092 -0.695 0.746 1.00 0.00 C ATOM 1178 SD MET A 81 -1.347 -1.133 0.682 1.00 0.00 S ATOM 1179 CE MET A 81 -0.958 -1.103 2.424 1.00 0.00 C ATOM 0 H MET A 81 -5.320 0.159 0.698 1.00 0.00 H new ATOM 0 HA MET A 81 -5.851 -1.981 2.358 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.292 -2.383 2.034 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.350 -2.414 0.637 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.458 -0.524 -0.267 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.208 0.243 1.289 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.059 -0.737 2.563 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.655 -0.444 2.941 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.040 -2.110 2.833 1.00 0.00 H new ATOM 1189 N MET A 82 -3.921 0.300 3.733 1.00 0.00 N ATOM 1190 CA MET A 82 -3.363 0.777 4.986 1.00 0.00 C ATOM 1191 C MET A 82 -4.410 1.536 5.795 1.00 0.00 C ATOM 1192 O MET A 82 -4.331 1.602 7.021 1.00 0.00 O ATOM 1193 CB MET A 82 -2.148 1.657 4.710 1.00 0.00 C ATOM 1194 CG MET A 82 -0.831 0.955 5.003 1.00 0.00 C ATOM 1195 SD MET A 82 0.533 1.597 4.019 1.00 0.00 S ATOM 1196 CE MET A 82 0.400 3.337 4.397 1.00 0.00 C ATOM 0 H MET A 82 -3.782 0.931 2.944 1.00 0.00 H new ATOM 0 HA MET A 82 -3.047 -0.082 5.577 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.162 1.971 3.666 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.215 2.561 5.316 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.593 1.065 6.061 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.942 -0.112 4.810 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.155 3.890 3.837 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.592 3.695 4.120 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.556 3.490 5.465 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.400 2.096 5.103 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.469 2.831 5.766 1.00 0.00 C ATOM 1208 C VAL A 83 -7.234 1.908 6.710 1.00 0.00 C ATOM 1209 O VAL A 83 -7.692 2.325 7.774 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.449 3.449 4.743 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.640 4.092 5.442 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.735 4.465 3.866 1.00 0.00 C ATOM 0 H VAL A 83 -5.482 2.054 4.087 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.011 3.640 6.334 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.824 2.645 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.312 4.518 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.172 3.338 6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.289 4.881 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.441 4.889 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.327 5.261 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.925 3.975 3.327 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.360 0.645 6.311 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.060 -0.349 7.117 1.00 0.00 C ATOM 1224 C ARG A 84 -7.231 -0.751 8.336 1.00 0.00 C ATOM 1225 O ARG A 84 -7.746 -1.362 9.272 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.378 -1.584 6.274 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.073 -1.262 4.960 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.316 -2.115 4.758 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.544 -1.349 4.955 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.732 -1.900 5.191 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.857 -3.219 5.260 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.798 -1.130 5.359 1.00 0.00 N ATOM 0 H ARG A 84 -6.985 0.286 5.433 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.991 0.096 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.452 -2.119 6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.010 -2.257 6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.348 -0.208 4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.382 -1.424 4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.308 -2.535 3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.297 -2.954 5.453 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.488 -0.332 4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.040 -3.816 5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.770 -3.636 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.707 -0.115 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.709 -1.552 5.540 1.00 0.00 H new ATOM 1246 N GLN A 85 -5.947 -0.401 8.323 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.054 -0.723 9.431 1.00 0.00 C ATOM 1248 C GLN A 85 -4.756 0.523 10.259 1.00 0.00 C ATOM 1249 O GLN A 85 -4.382 0.430 11.428 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.742 -1.321 8.913 1.00 0.00 C ATOM 1251 CG GLN A 85 -3.916 -2.286 7.749 1.00 0.00 C ATOM 1252 CD GLN A 85 -2.633 -2.489 6.969 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -1.536 -2.291 7.492 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -2.762 -2.884 5.708 1.00 0.00 N ATOM 0 H GLN A 85 -5.503 0.105 7.557 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.554 -1.459 10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.083 -0.510 8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.244 -1.841 9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.264 -3.247 8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.689 -1.908 7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.690 -3.037 5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.933 -3.035 5.133 1.00 0.00 H new ATOM 1263 N MET A 86 -4.923 1.689 9.642 1.00 0.00 N ATOM 1264 CA MET A 86 -4.670 2.956 10.313 1.00 0.00 C ATOM 1265 C MET A 86 -5.828 3.327 11.234 1.00 0.00 C ATOM 1266 O MET A 86 -5.619 3.705 12.387 1.00 0.00 O ATOM 1267 CB MET A 86 -4.453 4.057 9.275 1.00 0.00 C ATOM 1268 CG MET A 86 -3.002 4.212 8.850 1.00 0.00 C ATOM 1269 SD MET A 86 -2.748 5.613 7.744 1.00 0.00 S ATOM 1270 CE MET A 86 -2.001 4.799 6.335 1.00 0.00 C ATOM 0 H MET A 86 -5.234 1.781 8.675 1.00 0.00 H new ATOM 0 HA MET A 86 -3.772 2.850 10.922 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.060 3.841 8.396 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.807 5.004 9.682 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.379 4.336 9.736 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.673 3.299 8.354 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.440 5.527 5.750 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.327 4.016 6.682 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.781 4.358 5.714 1.00 0.00 H new ATOM 1280 N LYS A 87 -7.047 3.214 10.719 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.238 3.537 11.497 1.00 0.00 C ATOM 1282 C LYS A 87 -8.494 2.478 12.564 1.00 0.00 C ATOM 1283 O LYS A 87 -8.426 2.759 13.760 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.455 3.657 10.578 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.503 4.965 9.802 1.00 0.00 C ATOM 1286 CD LYS A 87 -9.797 4.730 8.328 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.284 4.526 8.083 1.00 0.00 C ATOM 1288 NZ LYS A 87 -11.707 3.128 8.373 1.00 0.00 N ATOM 0 H LYS A 87 -7.237 2.901 9.767 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.070 4.493 11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.452 2.826 9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.362 3.565 11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.269 5.614 10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.551 5.485 9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.444 5.581 7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.246 3.856 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.853 5.215 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.518 4.769 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.624 2.941 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.996 2.466 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.797 2.999 9.401 1.00 0.00 H new ATOM 1384 N SER B 117 1.394 2.342 10.359 1.00 0.00 N ATOM 1385 CA SER B 117 2.540 3.223 10.162 1.00 0.00 C ATOM 1386 C SER B 117 3.498 2.654 9.122 1.00 0.00 C ATOM 1387 O SER B 117 4.692 2.496 9.382 1.00 0.00 O ATOM 1388 CB SER B 117 3.272 3.448 11.486 1.00 0.00 C ATOM 1389 OG SER B 117 3.214 2.294 12.304 1.00 0.00 O ATOM 0 HA SER B 117 2.169 4.180 9.795 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.313 3.707 11.290 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.827 4.293 12.012 1.00 0.00 H new ATOM 0 HG SER B 117 2.523 1.687 11.965 1.00 0.00 H new ATOM 1395 N ALA B 118 2.969 2.360 7.940 1.00 0.00 N ATOM 1396 CA ALA B 118 3.780 1.824 6.856 1.00 0.00 C ATOM 1397 C ALA B 118 4.419 2.951 6.047 1.00 0.00 C ATOM 1398 O ALA B 118 5.066 2.706 5.029 1.00 0.00 O ATOM 1399 CB ALA B 118 2.938 0.932 5.957 1.00 0.00 C ATOM 0 H ALA B 118 1.983 2.484 7.709 1.00 0.00 H new ATOM 0 HA ALA B 118 4.580 1.224 7.291 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.558 0.539 5.151 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.534 0.105 6.541 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.118 1.512 5.534 1.00 0.00 H new ATOM 1405 N ASP B 119 4.236 4.189 6.508 1.00 0.00 N ATOM 1406 CA ASP B 119 4.797 5.352 5.831 1.00 0.00 C ATOM 1407 C ASP B 119 6.288 5.165 5.576 1.00 0.00 C ATOM 1408 O ASP B 119 6.843 5.736 4.638 1.00 0.00 O ATOM 1409 CB ASP B 119 4.564 6.614 6.663 1.00 0.00 C ATOM 1410 CG ASP B 119 4.712 7.882 5.846 1.00 0.00 C ATOM 1411 OD1 ASP B 119 3.944 8.056 4.877 1.00 0.00 O ATOM 1412 OD2 ASP B 119 5.596 8.700 6.175 1.00 0.00 O ATOM 0 H ASP B 119 3.702 4.409 7.349 1.00 0.00 H new ATOM 0 HA ASP B 119 4.293 5.461 4.871 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.565 6.580 7.097 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.271 6.635 7.492 1.00 0.00 H new ATOM 1417 N ALA B 120 6.932 4.357 6.416 1.00 0.00 N ATOM 1418 CA ALA B 120 8.360 4.093 6.275 1.00 0.00 C ATOM 1419 C ALA B 120 8.687 3.612 4.867 1.00 0.00 C ATOM 1420 O ALA B 120 9.338 4.319 4.097 1.00 0.00 O ATOM 1421 CB ALA B 120 8.815 3.071 7.307 1.00 0.00 C ATOM 0 H ALA B 120 6.488 3.876 7.198 1.00 0.00 H new ATOM 0 HA ALA B 120 8.898 5.025 6.448 1.00 0.00 H new ATOM 0 HB1 ALA B 120 9.882 2.885 7.189 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.622 3.455 8.309 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.266 2.140 7.164 1.00 0.00 H new ATOM 1427 N MET B 121 8.220 2.414 4.527 1.00 0.00 N ATOM 1428 CA MET B 121 8.457 1.857 3.199 1.00 0.00 C ATOM 1429 C MET B 121 7.985 2.836 2.133 1.00 0.00 C ATOM 1430 O MET B 121 8.572 2.935 1.056 1.00 0.00 O ATOM 1431 CB MET B 121 7.728 0.518 3.043 1.00 0.00 C ATOM 1432 CG MET B 121 7.775 -0.048 1.629 1.00 0.00 C ATOM 1433 SD MET B 121 6.187 -0.717 1.097 1.00 0.00 S ATOM 1434 CE MET B 121 5.135 0.718 1.309 1.00 0.00 C ATOM 0 H MET B 121 7.678 1.813 5.149 1.00 0.00 H new ATOM 0 HA MET B 121 9.527 1.687 3.077 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.168 -0.206 3.729 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.687 0.646 3.339 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.085 0.736 0.938 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.530 -0.832 1.580 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.294 0.657 0.619 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.763 0.748 2.333 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.708 1.622 1.104 1.00 0.00 H new ATOM 1444 N LEU B 122 6.921 3.565 2.451 1.00 0.00 N ATOM 1445 CA LEU B 122 6.367 4.546 1.532 1.00 0.00 C ATOM 1446 C LEU B 122 7.359 5.683 1.309 1.00 0.00 C ATOM 1447 O LEU B 122 7.512 6.178 0.194 1.00 0.00 O ATOM 1448 CB LEU B 122 5.048 5.095 2.077 1.00 0.00 C ATOM 1449 CG LEU B 122 3.813 4.251 1.753 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.759 3.014 2.637 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.549 5.081 1.918 1.00 0.00 C ATOM 0 H LEU B 122 6.426 3.493 3.340 1.00 0.00 H new ATOM 0 HA LEU B 122 6.175 4.058 0.576 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.131 5.190 3.160 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.898 6.099 1.680 1.00 0.00 H new ATOM 0 HG LEU B 122 3.882 3.924 0.715 1.00 0.00 H new ATOM 0 HD11 LEU B 122 2.873 2.429 2.390 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.651 2.410 2.472 1.00 0.00 H new ATOM 0 HD13 LEU B 122 3.714 3.316 3.683 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.678 4.468 1.684 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.478 5.435 2.946 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.584 5.935 1.242 1.00 0.00 H new ATOM 1463 N ARG B 123 8.038 6.087 2.380 1.00 0.00 N ATOM 1464 CA ARG B 123 9.026 7.158 2.300 1.00 0.00 C ATOM 1465 C ARG B 123 10.417 6.602 1.994 1.00 0.00 C ATOM 1466 O ARG B 123 11.418 7.309 2.121 1.00 0.00 O ATOM 1467 CB ARG B 123 9.058 7.948 3.610 1.00 0.00 C ATOM 1468 CG ARG B 123 9.686 9.326 3.474 1.00 0.00 C ATOM 1469 CD ARG B 123 9.958 9.950 4.833 1.00 0.00 C ATOM 1470 NE ARG B 123 10.600 9.011 5.750 1.00 0.00 N ATOM 1471 CZ ARG B 123 11.864 8.610 5.637 1.00 0.00 C ATOM 1472 NH1 ARG B 123 12.626 9.065 4.649 1.00 0.00 N ATOM 1473 NH2 ARG B 123 12.369 7.752 6.513 1.00 0.00 N ATOM 0 H ARG B 123 7.922 5.689 3.312 1.00 0.00 H new ATOM 0 HA ARG B 123 8.736 7.823 1.487 1.00 0.00 H new ATOM 0 HB2 ARG B 123 8.040 8.057 3.984 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.612 7.377 4.355 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.618 9.249 2.915 1.00 0.00 H new ATOM 0 HG3 ARG B 123 9.023 9.974 2.901 1.00 0.00 H new ATOM 0 HD2 ARG B 123 10.594 10.826 4.708 1.00 0.00 H new ATOM 0 HD3 ARG B 123 9.020 10.296 5.267 1.00 0.00 H new ATOM 0 HE ARG B 123 10.047 8.641 6.523 1.00 0.00 H new ATOM 0 HH11 ARG B 123 12.243 9.725 3.972 1.00 0.00 H new ATOM 0 HH12 ARG B 123 13.594 8.754 4.567 1.00 0.00 H new ATOM 0 HH21 ARG B 123 11.789 7.399 7.274 1.00 0.00 H new ATOM 0 HH22 ARG B 123 13.338 7.445 6.426 1.00 0.00 H new ATOM 1487 N ALA B 124 10.475 5.333 1.596 1.00 0.00 N ATOM 1488 CA ALA B 124 11.742 4.686 1.279 1.00 0.00 C ATOM 1489 C ALA B 124 12.232 5.071 -0.112 1.00 0.00 C ATOM 1490 O ALA B 124 13.232 5.774 -0.257 1.00 0.00 O ATOM 1491 CB ALA B 124 11.597 3.175 1.382 1.00 0.00 C ATOM 0 H ALA B 124 9.657 4.733 1.486 1.00 0.00 H new ATOM 0 HA ALA B 124 12.483 5.028 2.002 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.549 2.701 1.143 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.302 2.906 2.396 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.836 2.834 0.680 1.00 0.00 H new ATOM 1497 N LEU B 125 11.526 4.596 -1.130 1.00 0.00 N ATOM 1498 CA LEU B 125 11.888 4.877 -2.513 1.00 0.00 C ATOM 1499 C LEU B 125 11.399 6.258 -2.947 1.00 0.00 C ATOM 1500 O LEU B 125 11.913 6.833 -3.905 1.00 0.00 O ATOM 1501 CB LEU B 125 11.310 3.798 -3.429 1.00 0.00 C ATOM 1502 CG LEU B 125 11.618 2.365 -2.997 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.567 1.410 -3.535 1.00 0.00 C ATOM 1504 CD2 LEU B 125 13.007 1.954 -3.461 1.00 0.00 C ATOM 0 H LEU B 125 10.696 4.012 -1.023 1.00 0.00 H new ATOM 0 HA LEU B 125 12.975 4.871 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.228 3.924 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.696 3.951 -4.437 1.00 0.00 H new ATOM 0 HG LEU B 125 11.595 2.320 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.802 0.394 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.587 1.693 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.556 1.457 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.208 0.931 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.060 2.014 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.749 2.622 -3.024 1.00 0.00 H new