USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 558 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 Single : A 4 MET CE :methyl 177:sc= -1.72 (180deg=-1.8) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.8!) USER MOD Single : A 16 HIS : no HD1:sc= -9.93! C(o=-9.9!,f=-11!) USER MOD Single : A 18 THR OG1 : rot 120:sc= -5! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 28 CYS SG : rot 177:sc= -1.73 USER MOD Single : A 35 CYS SG : rot 75:sc= -7.87! USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= -0.589 (180deg=-1.73) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.197 F(o=-2.2,f=-0.2) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.786 USER MOD Single : A 52 SER OG : rot 83:sc= 1.08 USER MOD Single : A 59 ASN : amide:sc= -0.0316 X(o=-0.032,f=0) USER MOD Single : A 62 MET CE :methyl 165:sc= -9.56! (180deg=-11.2!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 72 GLN : amide:sc= -0.83 K(o=-0.83,f=-3!) USER MOD Single : A 74 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -4.046 -1.628 -11.146 1.00 0.00 N ATOM 77 CA MET A 4 -3.004 -2.409 -10.489 1.00 0.00 C ATOM 78 C MET A 4 -3.397 -2.711 -9.049 1.00 0.00 C ATOM 79 O MET A 4 -4.497 -2.370 -8.617 1.00 0.00 O ATOM 80 CB MET A 4 -1.670 -1.660 -10.523 1.00 0.00 C ATOM 81 CG MET A 4 -1.039 -1.604 -11.905 1.00 0.00 C ATOM 82 SD MET A 4 0.574 -0.798 -11.899 1.00 0.00 S ATOM 83 CE MET A 4 1.577 -2.051 -11.106 1.00 0.00 C ATOM 0 HA MET A 4 -2.889 -3.350 -11.027 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.824 -0.643 -10.162 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.975 -2.141 -9.835 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.933 -2.617 -12.293 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.705 -1.070 -12.583 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.616 -1.721 -11.077 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.220 -2.213 -10.089 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.507 -2.982 -11.668 1.00 0.00 H new ATOM 93 N PHE A 5 -2.500 -3.355 -8.309 1.00 0.00 N ATOM 94 CA PHE A 5 -2.775 -3.702 -6.920 1.00 0.00 C ATOM 95 C PHE A 5 -1.515 -3.623 -6.066 1.00 0.00 C ATOM 96 O PHE A 5 -0.398 -3.724 -6.572 1.00 0.00 O ATOM 97 CB PHE A 5 -3.369 -5.107 -6.837 1.00 0.00 C ATOM 98 CG PHE A 5 -2.481 -6.165 -7.428 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.938 -7.159 -6.630 1.00 0.00 C ATOM 100 CD2 PHE A 5 -2.187 -6.163 -8.782 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.118 -8.131 -7.172 1.00 0.00 C ATOM 102 CE2 PHE A 5 -1.368 -7.131 -9.329 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.833 -8.117 -8.523 1.00 0.00 C ATOM 0 H PHE A 5 -1.582 -3.645 -8.646 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.493 -2.980 -6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.565 -5.350 -5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.329 -5.119 -7.353 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.158 -7.175 -5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.603 -5.395 -9.417 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.701 -8.901 -6.539 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.146 -7.117 -10.386 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.193 -8.876 -8.949 1.00 0.00 H new ATOM 113 N LEU A 6 -1.712 -3.441 -4.765 1.00 0.00 N ATOM 114 CA LEU A 6 -0.607 -3.345 -3.821 1.00 0.00 C ATOM 115 C LEU A 6 -0.754 -4.369 -2.701 1.00 0.00 C ATOM 116 O LEU A 6 -1.857 -4.611 -2.212 1.00 0.00 O ATOM 117 CB LEU A 6 -0.552 -1.944 -3.218 1.00 0.00 C ATOM 118 CG LEU A 6 -1.854 -1.483 -2.569 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.878 -1.865 -1.099 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.041 0.019 -2.741 1.00 0.00 C ATOM 0 H LEU A 6 -2.635 -3.357 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 6 0.316 -3.548 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.242 -1.914 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.280 -1.236 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.683 -1.985 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.813 -1.529 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.798 -2.948 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.040 -1.393 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.975 0.326 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.209 0.545 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.072 0.262 -3.803 1.00 0.00 H new ATOM 132 N THR A 7 0.363 -4.954 -2.290 1.00 0.00 N ATOM 133 CA THR A 7 0.355 -5.939 -1.214 1.00 0.00 C ATOM 134 C THR A 7 0.536 -5.253 0.135 1.00 0.00 C ATOM 135 O THR A 7 1.610 -4.736 0.441 1.00 0.00 O ATOM 136 CB THR A 7 1.453 -6.981 -1.415 1.00 0.00 C ATOM 137 OG1 THR A 7 1.344 -7.589 -2.689 1.00 0.00 O ATOM 138 CG2 THR A 7 1.415 -8.077 -0.374 1.00 0.00 C ATOM 0 H THR A 7 1.285 -4.765 -2.684 1.00 0.00 H new ATOM 0 HA THR A 7 -0.610 -6.446 -1.232 1.00 0.00 H new ATOM 0 HB THR A 7 2.395 -6.440 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.058 -8.252 -2.797 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.217 -8.789 -0.566 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.545 -7.642 0.617 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.455 -8.591 -0.422 1.00 0.00 H new ATOM 146 N VAL A 8 -0.526 -5.247 0.932 1.00 0.00 N ATOM 147 CA VAL A 8 -0.500 -4.614 2.247 1.00 0.00 C ATOM 148 C VAL A 8 -0.102 -5.606 3.331 1.00 0.00 C ATOM 149 O VAL A 8 -0.280 -6.807 3.177 1.00 0.00 O ATOM 150 CB VAL A 8 -1.866 -4.000 2.618 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.674 -2.803 3.534 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.656 -3.606 1.373 1.00 0.00 C ATOM 0 H VAL A 8 -1.420 -5.675 0.690 1.00 0.00 H new ATOM 0 HA VAL A 8 0.243 -3.818 2.187 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.444 -4.757 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.646 -2.380 3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.167 -3.120 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.071 -2.050 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.613 -3.177 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.090 -2.871 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.830 -4.489 0.758 1.00 0.00 H new ATOM 162 N TYR A 9 0.447 -5.097 4.426 1.00 0.00 N ATOM 163 CA TYR A 9 0.874 -5.944 5.531 1.00 0.00 C ATOM 164 C TYR A 9 0.018 -5.718 6.765 1.00 0.00 C ATOM 165 O TYR A 9 -0.174 -4.581 7.214 1.00 0.00 O ATOM 166 CB TYR A 9 2.350 -5.709 5.847 1.00 0.00 C ATOM 167 CG TYR A 9 3.274 -6.600 5.048 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.242 -7.373 5.675 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.175 -6.668 3.663 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.087 -8.188 4.945 1.00 0.00 C ATOM 171 CE2 TYR A 9 4.016 -7.480 2.926 1.00 0.00 C ATOM 172 CZ TYR A 9 4.971 -8.237 3.571 1.00 0.00 C ATOM 173 OH TYR A 9 5.810 -9.048 2.842 1.00 0.00 O ATOM 0 H TYR A 9 0.607 -4.100 4.572 1.00 0.00 H new ATOM 0 HA TYR A 9 0.746 -6.982 5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.597 -4.666 5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.520 -5.879 6.910 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.336 -7.337 6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.428 -6.076 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.834 -8.784 5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.926 -7.521 1.851 1.00 0.00 H new ATOM 0 HH TYR A 9 5.596 -8.967 1.889 1.00 0.00 H new ATOM 183 N LEU A 10 -0.490 -6.824 7.302 1.00 0.00 N ATOM 184 CA LEU A 10 -1.336 -6.799 8.486 1.00 0.00 C ATOM 185 C LEU A 10 -0.504 -6.919 9.755 1.00 0.00 C ATOM 186 O LEU A 10 0.389 -7.761 9.848 1.00 0.00 O ATOM 187 CB LEU A 10 -2.349 -7.945 8.438 1.00 0.00 C ATOM 188 CG LEU A 10 -3.197 -8.014 7.167 1.00 0.00 C ATOM 189 CD1 LEU A 10 -2.718 -9.134 6.256 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.668 -8.194 7.514 1.00 0.00 C ATOM 0 H LEU A 10 -0.326 -7.759 6.928 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.862 -5.845 8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.812 -8.887 8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.016 -7.855 9.296 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.084 -7.071 6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.337 -9.163 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.680 -8.956 5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.794 -10.087 6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.255 -8.241 6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.799 -9.119 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.005 -7.352 8.118 1.00 0.00 H new ATOM 241 N GLU A 14 5.718 -10.094 8.940 1.00 0.00 N ATOM 242 CA GLU A 14 6.550 -9.991 7.746 1.00 0.00 C ATOM 243 C GLU A 14 6.091 -10.961 6.658 1.00 0.00 C ATOM 244 O GLU A 14 6.570 -10.902 5.525 1.00 0.00 O ATOM 245 CB GLU A 14 8.015 -10.259 8.099 1.00 0.00 C ATOM 246 CG GLU A 14 8.988 -9.294 7.439 1.00 0.00 C ATOM 247 CD GLU A 14 10.070 -8.816 8.388 1.00 0.00 C ATOM 248 OE1 GLU A 14 10.461 -7.633 8.294 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.526 -9.624 9.224 1.00 0.00 O ATOM 0 HA GLU A 14 6.450 -8.977 7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.136 -10.200 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.270 -11.277 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.452 -9.781 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.438 -8.433 7.058 1.00 0.00 H new ATOM 256 N GLN A 15 5.168 -11.856 7.003 1.00 0.00 N ATOM 257 CA GLN A 15 4.662 -12.835 6.045 1.00 0.00 C ATOM 258 C GLN A 15 3.155 -12.731 5.881 1.00 0.00 C ATOM 259 O GLN A 15 2.592 -13.349 4.978 1.00 0.00 O ATOM 260 CB GLN A 15 5.048 -14.251 6.472 1.00 0.00 C ATOM 261 CG GLN A 15 5.094 -15.242 5.320 1.00 0.00 C ATOM 262 CD GLN A 15 6.359 -15.117 4.494 1.00 0.00 C ATOM 263 OE1 GLN A 15 6.994 -14.063 4.466 1.00 0.00 O ATOM 264 NE2 GLN A 15 6.731 -16.196 3.816 1.00 0.00 N ATOM 0 H GLN A 15 4.757 -11.923 7.934 1.00 0.00 H new ATOM 0 HA GLN A 15 5.120 -12.616 5.080 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.025 -14.222 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.334 -14.604 7.216 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.021 -16.256 5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.228 -15.087 4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.174 -17.049 3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.574 -16.172 3.242 1.00 0.00 H new ATOM 273 N HIS A 16 2.491 -11.927 6.713 1.00 0.00 N ATOM 274 CA HIS A 16 1.058 -11.771 6.551 1.00 0.00 C ATOM 275 C HIS A 16 0.806 -10.469 5.823 1.00 0.00 C ATOM 276 O HIS A 16 1.198 -9.396 6.280 1.00 0.00 O ATOM 277 CB HIS A 16 0.372 -11.739 7.920 1.00 0.00 C ATOM 278 CG HIS A 16 -1.121 -11.682 7.859 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.883 -11.125 8.863 1.00 0.00 N ATOM 280 CD2 HIS A 16 -1.994 -12.102 6.914 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.159 -11.201 8.541 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.257 -11.791 7.362 1.00 0.00 N ATOM 0 H HIS A 16 2.909 -11.395 7.476 1.00 0.00 H new ATOM 0 HA HIS A 16 0.654 -12.609 5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.667 -12.625 8.482 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.735 -10.874 8.475 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.746 -12.590 5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.984 -10.842 9.139 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.127 -11.984 6.866 1.00 0.00 H new ATOM 291 N PHE A 17 0.150 -10.577 4.687 1.00 0.00 N ATOM 292 CA PHE A 17 -0.163 -9.421 3.877 1.00 0.00 C ATOM 293 C PHE A 17 -1.509 -9.565 3.210 1.00 0.00 C ATOM 294 O PHE A 17 -2.002 -10.675 3.007 1.00 0.00 O ATOM 295 CB PHE A 17 0.912 -9.202 2.821 1.00 0.00 C ATOM 296 CG PHE A 17 1.274 -10.457 2.105 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.393 -11.183 2.490 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.493 -10.918 1.053 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.734 -12.346 1.843 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.832 -12.089 0.398 1.00 0.00 C ATOM 301 CZ PHE A 17 1.955 -12.804 0.792 1.00 0.00 C ATOM 0 H PHE A 17 -0.179 -11.462 4.302 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.198 -8.556 4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.562 -8.464 2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.802 -8.788 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.003 -10.829 3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.380 -10.362 0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.607 -12.902 2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.223 -12.447 -0.419 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.221 -13.717 0.280 1.00 0.00 H new ATOM 311 N THR A 18 -2.066 -8.447 2.807 1.00 0.00 N ATOM 312 CA THR A 18 -3.315 -8.452 2.087 1.00 0.00 C ATOM 313 C THR A 18 -3.186 -7.550 0.874 1.00 0.00 C ATOM 314 O THR A 18 -2.973 -6.345 1.004 1.00 0.00 O ATOM 315 CB THR A 18 -4.473 -8.000 2.978 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.684 -7.964 2.243 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.262 -6.631 3.585 1.00 0.00 C ATOM 0 H THR A 18 -1.671 -7.520 2.967 1.00 0.00 H new ATOM 0 HA THR A 18 -3.536 -9.470 1.765 1.00 0.00 H new ATOM 0 HB THR A 18 -4.521 -8.732 3.784 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.332 -8.577 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.120 -6.372 4.205 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.361 -6.640 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.153 -5.893 2.790 1.00 0.00 H new ATOM 325 N GLU A 19 -3.288 -8.141 -0.304 1.00 0.00 N ATOM 326 CA GLU A 19 -3.150 -7.389 -1.539 1.00 0.00 C ATOM 327 C GLU A 19 -4.505 -6.926 -2.044 1.00 0.00 C ATOM 328 O GLU A 19 -5.535 -7.526 -1.736 1.00 0.00 O ATOM 329 CB GLU A 19 -2.434 -8.229 -2.598 1.00 0.00 C ATOM 330 CG GLU A 19 -2.862 -9.688 -2.625 1.00 0.00 C ATOM 331 CD GLU A 19 -2.340 -10.426 -3.842 1.00 0.00 C ATOM 332 OE1 GLU A 19 -2.277 -11.672 -3.799 1.00 0.00 O ATOM 333 OE2 GLU A 19 -1.995 -9.757 -4.839 1.00 0.00 O ATOM 0 H GLU A 19 -3.466 -9.137 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.547 -6.504 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.616 -7.790 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.360 -8.180 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.505 -10.184 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.950 -9.744 -2.610 1.00 0.00 H new ATOM 340 N VAL A 20 -4.501 -5.827 -2.787 1.00 0.00 N ATOM 341 CA VAL A 20 -5.742 -5.257 -3.294 1.00 0.00 C ATOM 342 C VAL A 20 -5.544 -4.432 -4.566 1.00 0.00 C ATOM 343 O VAL A 20 -4.580 -3.676 -4.683 1.00 0.00 O ATOM 344 CB VAL A 20 -6.369 -4.337 -2.234 1.00 0.00 C ATOM 345 CG1 VAL A 20 -6.838 -5.143 -1.032 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.371 -3.263 -1.815 1.00 0.00 C ATOM 0 H VAL A 20 -3.659 -5.316 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.391 -6.102 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.241 -3.847 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.278 -4.473 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.583 -5.872 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.989 -5.663 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.826 -2.617 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.482 -3.736 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.091 -2.668 -2.684 1.00 0.00 H new ATOM 356 N PRO A 21 -6.484 -4.543 -5.524 1.00 0.00 N ATOM 357 CA PRO A 21 -6.449 -3.793 -6.768 1.00 0.00 C ATOM 358 C PRO A 21 -7.245 -2.496 -6.643 1.00 0.00 C ATOM 359 O PRO A 21 -8.453 -2.528 -6.408 1.00 0.00 O ATOM 360 CB PRO A 21 -7.132 -4.752 -7.733 1.00 0.00 C ATOM 361 CG PRO A 21 -8.164 -5.447 -6.901 1.00 0.00 C ATOM 362 CD PRO A 21 -7.685 -5.396 -5.464 1.00 0.00 C ATOM 0 HA PRO A 21 -5.447 -3.494 -7.075 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.588 -4.218 -8.567 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.421 -5.461 -8.158 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.133 -4.958 -7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.292 -6.479 -7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.443 -4.974 -4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.451 -6.391 -5.085 1.00 0.00 H new ATOM 370 N VAL A 22 -6.570 -1.360 -6.771 1.00 0.00 N ATOM 371 CA VAL A 22 -7.240 -0.067 -6.639 1.00 0.00 C ATOM 372 C VAL A 22 -7.025 0.817 -7.860 1.00 0.00 C ATOM 373 O VAL A 22 -5.907 0.961 -8.355 1.00 0.00 O ATOM 374 CB VAL A 22 -6.769 0.694 -5.362 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.535 0.036 -4.761 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.498 2.174 -5.641 1.00 0.00 C ATOM 0 H VAL A 22 -5.570 -1.304 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.305 -0.285 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.584 0.638 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.226 0.585 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.768 -0.994 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.726 0.044 -5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.173 2.664 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.718 2.265 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.410 2.649 -6.002 1.00 0.00 H new ATOM 386 N THR A 23 -8.105 1.446 -8.302 1.00 0.00 N ATOM 387 CA THR A 23 -8.050 2.368 -9.423 1.00 0.00 C ATOM 388 C THR A 23 -7.671 3.739 -8.881 1.00 0.00 C ATOM 389 O THR A 23 -7.667 3.936 -7.666 1.00 0.00 O ATOM 390 CB THR A 23 -9.401 2.421 -10.143 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.294 3.294 -9.474 1.00 0.00 O ATOM 392 CG2 THR A 23 -10.075 1.070 -10.253 1.00 0.00 C ATOM 0 H THR A 23 -9.034 1.332 -7.897 1.00 0.00 H new ATOM 0 HA THR A 23 -7.309 2.036 -10.150 1.00 0.00 H new ATOM 0 HB THR A 23 -9.177 2.780 -11.148 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.150 3.315 -9.951 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.027 1.179 -10.773 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.433 0.388 -10.810 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.251 0.669 -9.255 1.00 0.00 H new ATOM 400 N PRO A 24 -7.341 4.715 -9.734 1.00 0.00 N ATOM 401 CA PRO A 24 -6.967 6.039 -9.253 1.00 0.00 C ATOM 402 C PRO A 24 -8.173 6.833 -8.763 1.00 0.00 C ATOM 403 O PRO A 24 -8.481 7.909 -9.275 1.00 0.00 O ATOM 404 CB PRO A 24 -6.317 6.688 -10.466 1.00 0.00 C ATOM 405 CG PRO A 24 -6.943 6.020 -11.644 1.00 0.00 C ATOM 406 CD PRO A 24 -7.308 4.622 -11.207 1.00 0.00 C ATOM 0 HA PRO A 24 -6.303 5.997 -8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.495 7.763 -10.481 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.237 6.544 -10.459 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.827 6.566 -11.974 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.252 5.994 -12.487 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.273 4.315 -11.611 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.573 3.892 -11.546 1.00 0.00 H new ATOM 414 N GLU A 25 -8.843 6.283 -7.753 1.00 0.00 N ATOM 415 CA GLU A 25 -10.014 6.910 -7.153 1.00 0.00 C ATOM 416 C GLU A 25 -9.980 6.718 -5.640 1.00 0.00 C ATOM 417 O GLU A 25 -10.135 7.671 -4.877 1.00 0.00 O ATOM 418 CB GLU A 25 -11.297 6.311 -7.733 1.00 0.00 C ATOM 419 CG GLU A 25 -11.583 6.752 -9.160 1.00 0.00 C ATOM 420 CD GLU A 25 -12.708 7.765 -9.243 1.00 0.00 C ATOM 421 OE1 GLU A 25 -13.630 7.699 -8.403 1.00 0.00 O ATOM 422 OE2 GLU A 25 -12.667 8.622 -10.151 1.00 0.00 O ATOM 0 H GLU A 25 -8.588 5.391 -7.329 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.000 7.976 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.226 5.224 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.138 6.592 -7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.679 7.182 -9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.839 5.880 -9.761 1.00 0.00 H new ATOM 429 N THR A 26 -9.751 5.477 -5.216 1.00 0.00 N ATOM 430 CA THR A 26 -9.665 5.152 -3.797 1.00 0.00 C ATOM 431 C THR A 26 -8.220 5.254 -3.335 1.00 0.00 C ATOM 432 O THR A 26 -7.300 5.082 -4.137 1.00 0.00 O ATOM 433 CB THR A 26 -10.201 3.747 -3.526 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.721 2.828 -4.493 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.712 3.675 -3.529 1.00 0.00 C ATOM 0 H THR A 26 -9.622 4.679 -5.838 1.00 0.00 H new ATOM 0 HA THR A 26 -10.276 5.863 -3.241 1.00 0.00 H new ATOM 0 HB THR A 26 -9.843 3.488 -2.530 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.075 1.935 -4.299 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.028 2.651 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.109 4.333 -2.756 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.089 3.989 -4.502 1.00 0.00 H new ATOM 443 N ILE A 27 -8.007 5.533 -2.052 1.00 0.00 N ATOM 444 CA ILE A 27 -6.640 5.646 -1.552 1.00 0.00 C ATOM 445 C ILE A 27 -6.451 4.979 -0.187 1.00 0.00 C ATOM 446 O ILE A 27 -7.162 5.258 0.771 1.00 0.00 O ATOM 447 CB ILE A 27 -6.275 7.141 -1.418 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.492 7.953 -0.941 1.00 0.00 C ATOM 449 CG2 ILE A 27 -5.783 7.685 -2.751 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.178 7.385 0.286 1.00 0.00 C ATOM 0 H ILE A 27 -8.739 5.681 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.993 5.136 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.479 7.234 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.172 8.972 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.216 8.012 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.529 8.739 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.900 7.130 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.567 7.576 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.024 8.017 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.532 6.377 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.472 7.352 1.115 1.00 0.00 H new ATOM 462 N CYS A 28 -5.440 4.119 -0.100 1.00 0.00 N ATOM 463 CA CYS A 28 -5.087 3.436 1.138 1.00 0.00 C ATOM 464 C CYS A 28 -6.312 3.022 1.951 1.00 0.00 C ATOM 465 O CYS A 28 -6.224 2.793 3.164 1.00 0.00 O ATOM 466 CB CYS A 28 -4.144 4.284 1.948 1.00 0.00 C ATOM 467 SG CYS A 28 -2.932 5.188 0.955 1.00 0.00 S ATOM 0 H CYS A 28 -4.841 3.876 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.579 2.510 0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.724 4.998 2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.615 3.646 2.656 1.00 0.00 H new ATOM 0 HG CYS A 28 -2.205 5.935 1.732 1.00 0.00 H new ATOM 473 N ARG A 29 -7.439 2.875 1.274 1.00 0.00 N ATOM 474 CA ARG A 29 -8.663 2.445 1.922 1.00 0.00 C ATOM 475 C ARG A 29 -8.601 0.946 2.037 1.00 0.00 C ATOM 476 O ARG A 29 -9.062 0.353 3.008 1.00 0.00 O ATOM 477 CB ARG A 29 -9.890 2.874 1.114 1.00 0.00 C ATOM 478 CG ARG A 29 -11.033 3.393 1.973 1.00 0.00 C ATOM 479 CD ARG A 29 -11.454 4.795 1.559 1.00 0.00 C ATOM 480 NE ARG A 29 -12.671 4.786 0.751 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.368 5.879 0.450 1.00 0.00 C ATOM 482 NH1 ARG A 29 -12.973 7.068 0.888 1.00 0.00 N ATOM 483 NH2 ARG A 29 -14.464 5.781 -0.290 1.00 0.00 N ATOM 0 H ARG A 29 -7.530 3.048 0.273 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.755 2.904 2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.596 3.650 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.243 2.026 0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.885 2.718 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.729 3.398 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.615 5.403 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.648 5.264 0.995 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.006 3.890 0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.131 7.147 1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.511 7.902 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.772 4.869 -0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.999 6.618 -0.522 1.00 0.00 H new ATOM 497 N ASP A 30 -7.979 0.353 1.033 1.00 0.00 N ATOM 498 CA ASP A 30 -7.791 -1.082 0.993 1.00 0.00 C ATOM 499 C ASP A 30 -6.718 -1.490 1.994 1.00 0.00 C ATOM 500 O ASP A 30 -6.884 -2.465 2.727 1.00 0.00 O ATOM 501 CB ASP A 30 -7.397 -1.531 -0.412 1.00 0.00 C ATOM 502 CG ASP A 30 -8.474 -1.234 -1.437 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.559 -1.846 -1.352 1.00 0.00 O ATOM 504 OD2 ASP A 30 -8.231 -0.390 -2.325 1.00 0.00 O ATOM 0 H ASP A 30 -7.594 0.850 0.230 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.731 -1.566 1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.473 -1.032 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.192 -2.602 -0.404 1.00 0.00 H new ATOM 509 N VAL A 31 -5.615 -0.735 2.033 1.00 0.00 N ATOM 510 CA VAL A 31 -4.535 -1.041 2.961 1.00 0.00 C ATOM 511 C VAL A 31 -5.022 -0.957 4.404 1.00 0.00 C ATOM 512 O VAL A 31 -4.768 -1.859 5.201 1.00 0.00 O ATOM 513 CB VAL A 31 -3.298 -0.124 2.773 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.842 -0.107 1.325 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.556 1.293 3.263 1.00 0.00 C ATOM 0 H VAL A 31 -5.453 0.079 1.440 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.221 -2.061 2.737 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.500 -0.545 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.974 0.544 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.575 -1.118 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.649 0.265 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.663 1.899 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.387 1.725 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.804 1.272 4.324 1.00 0.00 H new ATOM 525 N VAL A 32 -5.720 0.126 4.745 1.00 0.00 N ATOM 526 CA VAL A 32 -6.223 0.292 6.105 1.00 0.00 C ATOM 527 C VAL A 32 -7.407 -0.631 6.405 1.00 0.00 C ATOM 528 O VAL A 32 -7.419 -1.313 7.425 1.00 0.00 O ATOM 529 CB VAL A 32 -6.638 1.749 6.381 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.257 1.878 7.767 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.437 2.668 6.237 1.00 0.00 C ATOM 0 H VAL A 32 -5.947 0.890 4.108 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.398 0.021 6.763 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.390 2.044 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.543 2.915 7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.140 1.242 7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.531 1.570 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.740 3.696 6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.666 2.374 6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.042 2.594 5.224 1.00 0.00 H new ATOM 541 N ASP A 33 -8.407 -0.632 5.530 1.00 0.00 N ATOM 542 CA ASP A 33 -9.599 -1.454 5.737 1.00 0.00 C ATOM 543 C ASP A 33 -9.265 -2.933 5.904 1.00 0.00 C ATOM 544 O ASP A 33 -9.961 -3.651 6.622 1.00 0.00 O ATOM 545 CB ASP A 33 -10.582 -1.282 4.577 1.00 0.00 C ATOM 546 CG ASP A 33 -11.238 0.086 4.574 1.00 0.00 C ATOM 547 OD1 ASP A 33 -12.431 0.171 4.213 1.00 0.00 O ATOM 548 OD2 ASP A 33 -10.560 1.071 4.932 1.00 0.00 O ATOM 0 H ASP A 33 -8.419 -0.077 4.674 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.058 -1.108 6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.057 -1.432 3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.352 -2.051 4.639 1.00 0.00 H new ATOM 553 N LEU A 34 -8.220 -3.399 5.229 1.00 0.00 N ATOM 554 CA LEU A 34 -7.845 -4.808 5.311 1.00 0.00 C ATOM 555 C LEU A 34 -6.826 -5.077 6.416 1.00 0.00 C ATOM 556 O LEU A 34 -6.855 -6.138 7.039 1.00 0.00 O ATOM 557 CB LEU A 34 -7.302 -5.292 3.966 1.00 0.00 C ATOM 558 CG LEU A 34 -8.372 -5.722 2.962 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.739 -6.149 1.647 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.217 -6.850 3.536 1.00 0.00 C ATOM 0 H LEU A 34 -7.624 -2.832 4.626 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.748 -5.365 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.706 -4.495 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.630 -6.132 4.142 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.019 -4.867 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.520 -6.451 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.178 -5.315 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.066 -6.988 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.974 -7.144 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.579 -7.704 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.705 -6.511 4.450 1.00 0.00 H new ATOM 572 N CYS A 35 -5.914 -4.136 6.651 1.00 0.00 N ATOM 573 CA CYS A 35 -4.894 -4.325 7.673 1.00 0.00 C ATOM 574 C CYS A 35 -5.278 -3.690 9.005 1.00 0.00 C ATOM 575 O CYS A 35 -4.417 -3.317 9.802 1.00 0.00 O ATOM 576 CB CYS A 35 -3.553 -3.785 7.190 1.00 0.00 C ATOM 577 SG CYS A 35 -2.859 -4.673 5.779 1.00 0.00 S ATOM 0 H CYS A 35 -5.862 -3.247 6.154 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.808 -5.398 7.846 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.673 -2.736 6.921 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.841 -3.823 8.014 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.507 -4.347 4.700 1.00 0.00 H new ATOM 583 N LYS A 36 -6.571 -3.607 9.245 1.00 0.00 N ATOM 584 CA LYS A 36 -7.096 -3.055 10.493 1.00 0.00 C ATOM 585 C LYS A 36 -7.826 -4.137 11.285 1.00 0.00 C ATOM 586 O LYS A 36 -7.779 -5.315 10.935 1.00 0.00 O ATOM 587 CB LYS A 36 -8.048 -1.891 10.215 1.00 0.00 C ATOM 588 CG LYS A 36 -7.457 -0.530 10.547 1.00 0.00 C ATOM 589 CD LYS A 36 -8.541 0.522 10.734 1.00 0.00 C ATOM 590 CE LYS A 36 -9.529 0.524 9.578 1.00 0.00 C ATOM 591 NZ LYS A 36 -9.983 1.900 9.236 1.00 0.00 N ATOM 0 H LYS A 36 -7.289 -3.916 8.590 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.254 -2.686 11.079 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.332 -1.908 9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.961 -2.033 10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.860 -0.604 11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.783 -0.221 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.073 0.335 11.667 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.081 1.506 10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.065 0.067 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.392 -0.089 9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.208 1.949 8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.831 2.134 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.227 2.580 9.456 1.00 0.00 H new ATOM 679 N CYS A 43 -4.228 6.750 11.307 1.00 0.00 N ATOM 680 CA CYS A 43 -3.221 5.774 10.903 1.00 0.00 C ATOM 681 C CYS A 43 -2.696 6.086 9.507 1.00 0.00 C ATOM 682 O CYS A 43 -3.352 6.779 8.728 1.00 0.00 O ATOM 683 CB CYS A 43 -3.807 4.360 10.939 1.00 0.00 C ATOM 684 SG CYS A 43 -5.435 4.216 10.167 1.00 0.00 S ATOM 0 HA CYS A 43 -2.390 5.831 11.606 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.118 3.680 10.438 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.879 4.034 11.977 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.845 2.985 10.246 1.00 0.00 H new ATOM 690 N HIS A 44 -1.511 5.573 9.194 1.00 0.00 N ATOM 691 CA HIS A 44 -0.903 5.802 7.888 1.00 0.00 C ATOM 692 C HIS A 44 -0.370 4.499 7.294 1.00 0.00 C ATOM 693 O HIS A 44 -0.102 3.537 8.017 1.00 0.00 O ATOM 694 CB HIS A 44 0.215 6.852 7.993 1.00 0.00 C ATOM 695 CG HIS A 44 1.602 6.283 8.067 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.527 6.070 7.098 1.00 0.00 N flip ATOM 697 CD2 HIS A 44 2.180 5.859 9.245 1.00 0.00 C flip ATOM 698 CE1 HIS A 44 3.632 5.527 7.705 1.00 0.00 C flip ATOM 699 NE2 HIS A 44 3.399 5.410 8.999 1.00 0.00 N flip ATOM 0 H HIS A 44 -0.953 4.997 9.825 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.673 6.183 7.217 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.154 7.516 7.130 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.039 7.463 8.878 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.421 6.275 6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.710 5.889 10.217 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.545 5.241 7.204 1.00 0.00 H new ATOM 708 N LEU A 45 -0.213 4.482 5.976 1.00 0.00 N ATOM 709 CA LEU A 45 0.298 3.308 5.280 1.00 0.00 C ATOM 710 C LEU A 45 1.776 3.509 4.969 1.00 0.00 C ATOM 711 O LEU A 45 2.221 4.635 4.777 1.00 0.00 O ATOM 712 CB LEU A 45 -0.522 3.047 4.009 1.00 0.00 C ATOM 713 CG LEU A 45 0.154 2.183 2.941 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.086 0.712 3.321 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.497 2.414 1.587 1.00 0.00 C ATOM 0 H LEU A 45 -0.433 5.270 5.367 1.00 0.00 H new ATOM 0 HA LEU A 45 0.200 2.428 5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.458 2.569 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.779 4.008 3.562 1.00 0.00 H new ATOM 0 HG LEU A 45 1.203 2.471 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.572 0.114 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.594 0.558 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.957 0.408 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.007 1.794 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.553 2.151 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.399 3.464 1.310 1.00 0.00 H new ATOM 727 N ALA A 46 2.542 2.427 4.952 1.00 0.00 N ATOM 728 CA ALA A 46 3.981 2.525 4.700 1.00 0.00 C ATOM 729 C ALA A 46 4.398 1.865 3.389 1.00 0.00 C ATOM 730 O ALA A 46 3.744 0.932 2.912 1.00 0.00 O ATOM 731 CB ALA A 46 4.756 1.920 5.862 1.00 0.00 C ATOM 0 H ALA A 46 2.200 1.479 5.107 1.00 0.00 H new ATOM 0 HA ALA A 46 4.218 3.585 4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.825 1.997 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.516 2.458 6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.483 0.871 5.975 1.00 0.00 H new ATOM 737 N GLU A 47 5.506 2.357 2.821 1.00 0.00 N ATOM 738 CA GLU A 47 6.044 1.819 1.574 1.00 0.00 C ATOM 739 C GLU A 47 7.538 1.515 1.718 1.00 0.00 C ATOM 740 O GLU A 47 8.357 2.427 1.822 1.00 0.00 O ATOM 741 CB GLU A 47 5.841 2.823 0.440 1.00 0.00 C ATOM 742 CG GLU A 47 6.101 4.267 0.840 1.00 0.00 C ATOM 743 CD GLU A 47 5.436 5.259 -0.094 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.347 6.450 0.271 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.005 4.845 -1.191 1.00 0.00 O ATOM 0 H GLU A 47 6.046 3.130 3.210 1.00 0.00 H new ATOM 0 HA GLU A 47 5.514 0.895 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.502 2.561 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.819 2.737 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.739 4.430 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.176 4.449 0.852 1.00 0.00 H new ATOM 752 N VAL A 48 7.887 0.228 1.698 1.00 0.00 N ATOM 753 CA VAL A 48 9.284 -0.197 1.801 1.00 0.00 C ATOM 754 C VAL A 48 9.680 -1.075 0.623 1.00 0.00 C ATOM 755 O VAL A 48 9.011 -2.071 0.342 1.00 0.00 O ATOM 756 CB VAL A 48 9.581 -0.950 3.114 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.086 -1.088 3.315 1.00 0.00 C ATOM 758 CG2 VAL A 48 8.939 -0.242 4.300 1.00 0.00 C ATOM 0 H VAL A 48 7.221 -0.539 1.611 1.00 0.00 H new ATOM 0 HA VAL A 48 9.876 0.718 1.793 1.00 0.00 H new ATOM 0 HB VAL A 48 9.149 -1.948 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.281 -1.621 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.515 -1.644 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.539 -0.098 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.162 -0.791 5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.336 0.770 4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.859 -0.198 4.157 1.00 0.00 H new ATOM 768 N TRP A 49 10.762 -0.727 -0.060 1.00 0.00 N ATOM 769 CA TRP A 49 11.210 -1.532 -1.187 1.00 0.00 C ATOM 770 C TRP A 49 12.734 -1.549 -1.310 1.00 0.00 C ATOM 771 O TRP A 49 13.364 -0.507 -1.484 1.00 0.00 O ATOM 772 CB TRP A 49 10.537 -1.045 -2.472 1.00 0.00 C ATOM 773 CG TRP A 49 11.460 -0.554 -3.531 1.00 0.00 C ATOM 774 CD1 TRP A 49 12.248 -1.288 -4.363 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.665 0.800 -3.865 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.929 -0.453 -5.215 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.589 0.846 -4.918 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.140 1.974 -3.360 1.00 0.00 C ATOM 779 CZ2 TRP A 49 13.005 2.050 -5.481 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.546 3.174 -3.912 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.473 3.204 -4.965 1.00 0.00 C ATOM 0 H TRP A 49 11.336 0.092 0.141 1.00 0.00 H new ATOM 0 HA TRP A 49 10.911 -2.565 -1.012 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.943 -1.861 -2.882 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.844 -0.243 -2.217 1.00 0.00 H new ATOM 0 HD1 TRP A 49 12.326 -2.365 -4.355 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.578 -0.747 -5.945 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.426 1.954 -2.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.718 2.074 -6.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.145 4.100 -3.528 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.774 4.156 -5.378 1.00 0.00 H new ATOM 792 N CYS A 50 13.315 -2.745 -1.231 1.00 0.00 N ATOM 793 CA CYS A 50 14.764 -2.914 -1.344 1.00 0.00 C ATOM 794 C CYS A 50 15.518 -1.870 -0.521 1.00 0.00 C ATOM 795 O CYS A 50 16.424 -1.204 -1.023 1.00 0.00 O ATOM 796 CB CYS A 50 15.191 -2.827 -2.812 1.00 0.00 C ATOM 797 SG CYS A 50 14.988 -4.371 -3.732 1.00 0.00 S ATOM 0 H CYS A 50 12.802 -3.615 -1.089 1.00 0.00 H new ATOM 0 HA CYS A 50 15.015 -3.899 -0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.611 -2.045 -3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.237 -2.524 -2.858 1.00 0.00 H new ATOM 0 HG CYS A 50 15.373 -4.197 -4.962 1.00 0.00 H new ATOM 803 N GLY A 51 15.138 -1.733 0.744 1.00 0.00 N ATOM 804 CA GLY A 51 15.791 -0.769 1.612 1.00 0.00 C ATOM 805 C GLY A 51 15.188 0.621 1.507 1.00 0.00 C ATOM 806 O GLY A 51 15.503 1.499 2.310 1.00 0.00 O ATOM 0 H GLY A 51 14.391 -2.271 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.723 -1.112 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.851 -0.720 1.361 1.00 0.00 H new ATOM 810 N SER A 52 14.317 0.822 0.521 1.00 0.00 N ATOM 811 CA SER A 52 13.672 2.114 0.327 1.00 0.00 C ATOM 812 C SER A 52 12.362 2.170 1.095 1.00 0.00 C ATOM 813 O SER A 52 11.329 1.715 0.605 1.00 0.00 O ATOM 814 CB SER A 52 13.407 2.363 -1.159 1.00 0.00 C ATOM 815 OG SER A 52 14.364 1.699 -1.967 1.00 0.00 O ATOM 0 H SER A 52 14.043 0.107 -0.153 1.00 0.00 H new ATOM 0 HA SER A 52 14.340 2.889 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.406 2.016 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.435 3.434 -1.362 1.00 0.00 H new ATOM 0 HG SER A 52 14.100 0.762 -2.084 1.00 0.00 H new ATOM 821 N GLU A 53 12.407 2.729 2.297 1.00 0.00 N ATOM 822 CA GLU A 53 11.218 2.836 3.128 1.00 0.00 C ATOM 823 C GLU A 53 10.806 4.296 3.300 1.00 0.00 C ATOM 824 O GLU A 53 11.639 5.154 3.597 1.00 0.00 O ATOM 825 CB GLU A 53 11.468 2.199 4.496 1.00 0.00 C ATOM 826 CG GLU A 53 12.548 2.898 5.305 1.00 0.00 C ATOM 827 CD GLU A 53 11.998 4.014 6.170 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.967 3.793 6.840 1.00 0.00 O ATOM 829 OE2 GLU A 53 12.598 5.110 6.179 1.00 0.00 O ATOM 0 H GLU A 53 13.253 3.114 2.717 1.00 0.00 H new ATOM 0 HA GLU A 53 10.407 2.304 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.539 2.205 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.749 1.155 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.053 2.168 5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.298 3.305 4.627 1.00 0.00 H new ATOM 836 N ARG A 54 9.521 4.570 3.113 1.00 0.00 N ATOM 837 CA ARG A 54 9.001 5.926 3.247 1.00 0.00 C ATOM 838 C ARG A 54 7.572 5.911 3.785 1.00 0.00 C ATOM 839 O ARG A 54 6.839 4.943 3.589 1.00 0.00 O ATOM 840 CB ARG A 54 9.040 6.646 1.897 1.00 0.00 C ATOM 841 CG ARG A 54 10.430 7.112 1.491 1.00 0.00 C ATOM 842 CD ARG A 54 10.446 8.592 1.143 1.00 0.00 C ATOM 843 NE ARG A 54 10.411 8.816 -0.299 1.00 0.00 N ATOM 844 CZ ARG A 54 11.410 8.509 -1.123 1.00 0.00 C ATOM 845 NH1 ARG A 54 12.522 7.959 -0.652 1.00 0.00 N ATOM 846 NH2 ARG A 54 11.296 8.750 -2.423 1.00 0.00 N ATOM 0 H ARG A 54 8.819 3.871 2.868 1.00 0.00 H new ATOM 0 HA ARG A 54 9.633 6.461 3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.652 5.978 1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.375 7.508 1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.130 6.922 2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.772 6.533 0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.590 9.083 1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.342 9.053 1.560 1.00 0.00 H new ATOM 0 HE ARG A 54 9.570 9.233 -0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.614 7.770 0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.285 7.726 -1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.443 9.171 -2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.062 8.515 -3.054 1.00 0.00 H new ATOM 860 N PRO A 55 7.155 6.989 4.470 1.00 0.00 N ATOM 861 CA PRO A 55 5.807 7.092 5.028 1.00 0.00 C ATOM 862 C PRO A 55 4.773 7.441 3.962 1.00 0.00 C ATOM 863 O PRO A 55 4.904 8.447 3.267 1.00 0.00 O ATOM 864 CB PRO A 55 5.940 8.229 6.038 1.00 0.00 C ATOM 865 CG PRO A 55 7.007 9.104 5.475 1.00 0.00 C ATOM 866 CD PRO A 55 7.964 8.191 4.751 1.00 0.00 C ATOM 0 HA PRO A 55 5.463 6.154 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.001 8.771 6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.213 7.854 7.024 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.585 9.843 4.794 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.517 9.654 6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.336 8.647 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.833 7.954 5.364 1.00 0.00 H new ATOM 874 N VAL A 56 3.751 6.601 3.832 1.00 0.00 N ATOM 875 CA VAL A 56 2.704 6.826 2.844 1.00 0.00 C ATOM 876 C VAL A 56 1.400 7.273 3.508 1.00 0.00 C ATOM 877 O VAL A 56 0.936 6.671 4.481 1.00 0.00 O ATOM 878 CB VAL A 56 2.437 5.573 1.951 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.331 4.388 2.325 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.968 5.168 2.003 1.00 0.00 C ATOM 0 H VAL A 56 3.626 5.761 4.397 1.00 0.00 H new ATOM 0 HA VAL A 56 3.069 7.623 2.196 1.00 0.00 H new ATOM 0 HB VAL A 56 2.688 5.858 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.106 3.543 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.377 4.669 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.148 4.107 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.809 4.293 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.692 4.930 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.351 5.991 1.643 1.00 0.00 H new ATOM 890 N ALA A 57 0.809 8.328 2.959 1.00 0.00 N ATOM 891 CA ALA A 57 -0.443 8.862 3.475 1.00 0.00 C ATOM 892 C ALA A 57 -1.618 8.016 3.007 1.00 0.00 C ATOM 893 O ALA A 57 -1.611 7.497 1.891 1.00 0.00 O ATOM 894 CB ALA A 57 -0.618 10.299 3.021 1.00 0.00 C ATOM 0 H ALA A 57 1.180 8.831 2.153 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.412 8.834 4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.557 10.692 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.210 10.902 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.633 10.337 1.932 1.00 0.00 H new ATOM 900 N ASP A 58 -2.625 7.873 3.863 1.00 0.00 N ATOM 901 CA ASP A 58 -3.797 7.072 3.526 1.00 0.00 C ATOM 902 C ASP A 58 -4.504 7.587 2.273 1.00 0.00 C ATOM 903 O ASP A 58 -5.363 6.904 1.717 1.00 0.00 O ATOM 904 CB ASP A 58 -4.787 7.035 4.689 1.00 0.00 C ATOM 905 CG ASP A 58 -4.109 6.800 6.024 1.00 0.00 C ATOM 906 OD1 ASP A 58 -4.479 5.826 6.714 1.00 0.00 O ATOM 907 OD2 ASP A 58 -3.208 7.588 6.379 1.00 0.00 O ATOM 0 H ASP A 58 -2.654 8.298 4.790 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.437 6.063 3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.335 7.976 4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.519 6.246 4.513 1.00 0.00 H new ATOM 912 N ASN A 59 -4.161 8.794 1.833 1.00 0.00 N ATOM 913 CA ASN A 59 -4.796 9.370 0.654 1.00 0.00 C ATOM 914 C ASN A 59 -3.917 9.240 -0.592 1.00 0.00 C ATOM 915 O ASN A 59 -4.087 9.989 -1.555 1.00 0.00 O ATOM 916 CB ASN A 59 -5.138 10.840 0.902 1.00 0.00 C ATOM 917 CG ASN A 59 -6.551 11.022 1.419 1.00 0.00 C ATOM 918 OD1 ASN A 59 -7.343 11.773 0.848 1.00 0.00 O ATOM 919 ND2 ASN A 59 -6.875 10.335 2.509 1.00 0.00 N ATOM 0 H ASN A 59 -3.455 9.386 2.270 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.713 8.809 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.434 11.258 1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.018 11.400 -0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.811 10.418 2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.187 9.724 2.950 1.00 0.00 H new ATOM 926 N GLU A 60 -2.987 8.290 -0.577 1.00 0.00 N ATOM 927 CA GLU A 60 -2.102 8.074 -1.716 1.00 0.00 C ATOM 928 C GLU A 60 -2.691 7.041 -2.680 1.00 0.00 C ATOM 929 O GLU A 60 -2.818 5.864 -2.342 1.00 0.00 O ATOM 930 CB GLU A 60 -0.724 7.622 -1.236 1.00 0.00 C ATOM 931 CG GLU A 60 -0.024 8.640 -0.352 1.00 0.00 C ATOM 932 CD GLU A 60 1.362 8.996 -0.853 1.00 0.00 C ATOM 933 OE1 GLU A 60 2.216 9.370 -0.022 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.593 8.900 -2.076 1.00 0.00 O ATOM 0 H GLU A 60 -2.827 7.659 0.209 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.999 9.018 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.829 6.687 -0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.097 7.414 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.629 9.545 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.051 8.245 0.661 1.00 0.00 H new ATOM 941 N ARG A 61 -3.056 7.495 -3.878 1.00 0.00 N ATOM 942 CA ARG A 61 -3.642 6.621 -4.894 1.00 0.00 C ATOM 943 C ARG A 61 -2.697 5.479 -5.252 1.00 0.00 C ATOM 944 O ARG A 61 -1.494 5.685 -5.408 1.00 0.00 O ATOM 945 CB ARG A 61 -3.995 7.432 -6.143 1.00 0.00 C ATOM 946 CG ARG A 61 -5.472 7.774 -6.247 1.00 0.00 C ATOM 947 CD ARG A 61 -5.681 9.228 -6.640 1.00 0.00 C ATOM 948 NE ARG A 61 -5.787 10.100 -5.474 1.00 0.00 N ATOM 949 CZ ARG A 61 -5.616 11.420 -5.517 1.00 0.00 C ATOM 950 NH1 ARG A 61 -5.335 12.023 -6.665 1.00 0.00 N ATOM 951 NH2 ARG A 61 -5.727 12.139 -4.408 1.00 0.00 N ATOM 0 H ARG A 61 -2.956 8.467 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.552 6.185 -4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.416 8.355 -6.143 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.697 6.869 -7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.946 7.125 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.960 7.581 -5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.851 9.558 -7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.586 9.315 -7.241 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.005 9.673 -4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.249 11.475 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.205 13.034 -6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.943 11.681 -3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.596 13.150 -4.440 1.00 0.00 H new ATOM 965 N MET A 62 -3.263 4.275 -5.388 1.00 0.00 N ATOM 966 CA MET A 62 -2.488 3.073 -5.728 1.00 0.00 C ATOM 967 C MET A 62 -1.296 3.421 -6.610 1.00 0.00 C ATOM 968 O MET A 62 -0.166 3.539 -6.136 1.00 0.00 O ATOM 969 CB MET A 62 -3.388 2.055 -6.438 1.00 0.00 C ATOM 970 CG MET A 62 -2.636 0.904 -7.090 1.00 0.00 C ATOM 971 SD MET A 62 -1.815 -0.161 -5.891 1.00 0.00 S ATOM 972 CE MET A 62 -0.559 -0.920 -6.917 1.00 0.00 C ATOM 0 H MET A 62 -4.261 4.105 -5.267 1.00 0.00 H new ATOM 0 HA MET A 62 -2.110 2.637 -4.803 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.097 1.649 -5.717 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.970 2.572 -7.201 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.333 0.309 -7.681 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.894 1.305 -7.781 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.191 -1.394 -6.284 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.019 -1.671 -7.559 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.084 -0.158 -7.534 1.00 0.00 H new ATOM 982 N PHE A 63 -1.568 3.594 -7.891 1.00 0.00 N ATOM 983 CA PHE A 63 -0.524 3.940 -8.856 1.00 0.00 C ATOM 984 C PHE A 63 0.231 5.187 -8.411 1.00 0.00 C ATOM 985 O PHE A 63 1.441 5.290 -8.603 1.00 0.00 O ATOM 986 CB PHE A 63 -1.116 4.176 -10.251 1.00 0.00 C ATOM 987 CG PHE A 63 -2.280 3.289 -10.578 1.00 0.00 C ATOM 988 CD1 PHE A 63 -3.558 3.636 -10.178 1.00 0.00 C ATOM 989 CD2 PHE A 63 -2.096 2.108 -11.279 1.00 0.00 C ATOM 990 CE1 PHE A 63 -4.634 2.822 -10.469 1.00 0.00 C ATOM 991 CE2 PHE A 63 -3.170 1.289 -11.575 1.00 0.00 C ATOM 992 CZ PHE A 63 -4.441 1.648 -11.169 1.00 0.00 C ATOM 0 H PHE A 63 -2.501 3.502 -8.293 1.00 0.00 H new ATOM 0 HA PHE A 63 0.167 3.099 -8.904 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.432 5.216 -10.329 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.335 4.023 -10.996 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.716 4.554 -9.632 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.104 1.824 -11.597 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.626 3.103 -10.149 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.016 0.371 -12.122 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.282 1.011 -11.399 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.485 6.128 -7.794 1.00 0.00 N ATOM 1003 CA ASP A 64 0.134 7.360 -7.321 1.00 0.00 C ATOM 1004 C ASP A 64 1.302 7.034 -6.410 1.00 0.00 C ATOM 1005 O ASP A 64 2.359 7.663 -6.475 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.887 8.222 -6.582 1.00 0.00 C ATOM 1007 CG ASP A 64 -0.493 9.685 -6.547 1.00 0.00 C ATOM 1008 OD1 ASP A 64 0.668 9.980 -6.194 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -1.346 10.537 -6.873 1.00 0.00 O ATOM 0 H ASP A 64 -1.486 6.059 -7.613 1.00 0.00 H new ATOM 0 HA ASP A 64 0.500 7.921 -8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.859 8.122 -7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.998 7.854 -5.562 1.00 0.00 H new ATOM 1014 N VAL A 65 1.104 6.026 -5.578 1.00 0.00 N ATOM 1015 CA VAL A 65 2.140 5.578 -4.665 1.00 0.00 C ATOM 1016 C VAL A 65 3.146 4.717 -5.412 1.00 0.00 C ATOM 1017 O VAL A 65 4.310 4.626 -5.027 1.00 0.00 O ATOM 1018 CB VAL A 65 1.562 4.751 -3.495 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.491 4.814 -2.293 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.161 5.222 -3.124 1.00 0.00 C ATOM 0 H VAL A 65 0.232 5.501 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 65 2.618 6.469 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 65 1.485 3.713 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.070 4.227 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.466 4.410 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.603 5.850 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.218 4.621 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.197 6.269 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.499 5.114 -3.985 1.00 0.00 H new ATOM 1030 N LEU A 66 2.678 4.083 -6.485 1.00 0.00 N ATOM 1031 CA LEU A 66 3.514 3.213 -7.295 1.00 0.00 C ATOM 1032 C LEU A 66 4.387 4.008 -8.266 1.00 0.00 C ATOM 1033 O LEU A 66 5.287 3.454 -8.896 1.00 0.00 O ATOM 1034 CB LEU A 66 2.630 2.223 -8.053 1.00 0.00 C ATOM 1035 CG LEU A 66 2.865 0.755 -7.703 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.153 0.397 -6.408 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.398 -0.145 -8.838 1.00 0.00 C ATOM 0 H LEU A 66 1.715 4.160 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 66 4.187 2.669 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.586 2.466 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.793 2.357 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 66 3.935 0.600 -7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.331 -0.652 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.535 1.020 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.082 0.567 -6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.573 -1.187 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.333 0.011 -9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.953 0.096 -9.745 1.00 0.00 H new ATOM 1049 N GLN A 67 4.117 5.305 -8.384 1.00 0.00 N ATOM 1050 CA GLN A 67 4.882 6.163 -9.283 1.00 0.00 C ATOM 1051 C GLN A 67 6.071 6.808 -8.567 1.00 0.00 C ATOM 1052 O GLN A 67 6.951 7.381 -9.209 1.00 0.00 O ATOM 1053 CB GLN A 67 3.980 7.250 -9.871 1.00 0.00 C ATOM 1054 CG GLN A 67 2.925 6.713 -10.825 1.00 0.00 C ATOM 1055 CD GLN A 67 3.062 7.275 -12.226 1.00 0.00 C ATOM 1056 OE1 GLN A 67 4.119 7.168 -12.850 1.00 0.00 O ATOM 1057 NE2 GLN A 67 1.992 7.880 -12.730 1.00 0.00 N ATOM 0 H GLN A 67 3.377 5.783 -7.870 1.00 0.00 H new ATOM 0 HA GLN A 67 5.269 5.538 -10.087 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.486 7.780 -9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.598 7.978 -10.397 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.997 5.626 -10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.935 6.952 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.137 7.946 -12.179 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.026 8.278 -13.668 1.00 0.00 H new ATOM 1066 N ARG A 68 6.093 6.719 -7.238 1.00 0.00 N ATOM 1067 CA ARG A 68 7.176 7.304 -6.457 1.00 0.00 C ATOM 1068 C ARG A 68 8.342 6.330 -6.303 1.00 0.00 C ATOM 1069 O ARG A 68 9.496 6.745 -6.197 1.00 0.00 O ATOM 1070 CB ARG A 68 6.662 7.725 -5.080 1.00 0.00 C ATOM 1071 CG ARG A 68 6.173 6.566 -4.227 1.00 0.00 C ATOM 1072 CD ARG A 68 6.771 6.610 -2.831 1.00 0.00 C ATOM 1073 NE ARG A 68 6.065 7.547 -1.959 1.00 0.00 N ATOM 1074 CZ ARG A 68 6.503 8.771 -1.664 1.00 0.00 C ATOM 1075 NH1 ARG A 68 7.643 9.225 -2.173 1.00 0.00 N ATOM 1076 NH2 ARG A 68 5.794 9.548 -0.856 1.00 0.00 N ATOM 0 H ARG A 68 5.376 6.250 -6.684 1.00 0.00 H new ATOM 0 HA ARG A 68 7.539 8.182 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.459 8.244 -4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.848 8.438 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.086 6.596 -4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.436 5.623 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.739 5.613 -2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.821 6.896 -2.896 1.00 0.00 H new ATOM 0 HE ARG A 68 5.181 7.245 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.194 8.635 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.968 10.163 -1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.916 9.208 -0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.126 10.485 -0.628 1.00 0.00 H new ATOM 1090 N PHE A 69 8.039 5.034 -6.296 1.00 0.00 N ATOM 1091 CA PHE A 69 9.073 4.013 -6.159 1.00 0.00 C ATOM 1092 C PHE A 69 10.022 4.046 -7.352 1.00 0.00 C ATOM 1093 O PHE A 69 11.236 4.174 -7.191 1.00 0.00 O ATOM 1094 CB PHE A 69 8.443 2.625 -6.036 1.00 0.00 C ATOM 1095 CG PHE A 69 7.560 2.456 -4.830 1.00 0.00 C ATOM 1096 CD1 PHE A 69 6.201 2.698 -4.915 1.00 0.00 C ATOM 1097 CD2 PHE A 69 8.086 2.043 -3.617 1.00 0.00 C ATOM 1098 CE1 PHE A 69 5.383 2.531 -3.815 1.00 0.00 C ATOM 1099 CE2 PHE A 69 7.277 1.876 -2.509 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.920 2.122 -2.612 1.00 0.00 C ATOM 0 H PHE A 69 7.091 4.668 -6.383 1.00 0.00 H new ATOM 0 HA PHE A 69 9.640 4.225 -5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.857 2.423 -6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.237 1.879 -5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.774 3.021 -5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.145 1.848 -3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.323 2.721 -3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.702 1.556 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.281 1.994 -1.751 1.00 0.00 H new ATOM 1110 N GLY A 70 9.460 3.929 -8.551 1.00 0.00 N ATOM 1111 CA GLY A 70 10.269 3.947 -9.755 1.00 0.00 C ATOM 1112 C GLY A 70 9.847 2.885 -10.751 1.00 0.00 C ATOM 1113 O GLY A 70 8.710 2.416 -10.723 1.00 0.00 O ATOM 0 H GLY A 70 8.458 3.822 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.197 4.929 -10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.315 3.796 -9.489 1.00 0.00 H new ATOM 1117 N SER A 71 10.767 2.504 -11.632 1.00 0.00 N ATOM 1118 CA SER A 71 10.484 1.488 -12.640 1.00 0.00 C ATOM 1119 C SER A 71 10.064 0.178 -11.984 1.00 0.00 C ATOM 1120 O SER A 71 9.182 -0.523 -12.480 1.00 0.00 O ATOM 1121 CB SER A 71 11.711 1.261 -13.524 1.00 0.00 C ATOM 1122 OG SER A 71 12.370 2.483 -13.806 1.00 0.00 O ATOM 0 H SER A 71 11.713 2.883 -11.668 1.00 0.00 H new ATOM 0 HA SER A 71 9.661 1.844 -13.260 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.400 0.579 -13.026 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.408 0.784 -14.456 1.00 0.00 H new ATOM 0 HG SER A 71 13.152 2.310 -14.371 1.00 0.00 H new ATOM 1128 N GLN A 72 10.700 -0.145 -10.862 1.00 0.00 N ATOM 1129 CA GLN A 72 10.393 -1.369 -10.132 1.00 0.00 C ATOM 1130 C GLN A 72 9.195 -1.164 -9.211 1.00 0.00 C ATOM 1131 O GLN A 72 9.352 -0.820 -8.040 1.00 0.00 O ATOM 1132 CB GLN A 72 11.607 -1.818 -9.317 1.00 0.00 C ATOM 1133 CG GLN A 72 12.785 -2.256 -10.171 1.00 0.00 C ATOM 1134 CD GLN A 72 12.502 -3.526 -10.948 1.00 0.00 C ATOM 1135 OE1 GLN A 72 11.617 -3.561 -11.804 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.255 -4.581 -10.654 1.00 0.00 N ATOM 0 H GLN A 72 11.432 0.425 -10.439 1.00 0.00 H new ATOM 0 HA GLN A 72 10.144 -2.144 -10.857 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.923 -1.000 -8.670 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.313 -2.643 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.040 -1.458 -10.868 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.654 -2.412 -9.532 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.977 -4.508 -9.938 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.110 -5.463 -11.145 1.00 0.00 H new ATOM 1145 N ARG A 73 7.998 -1.373 -9.750 1.00 0.00 N ATOM 1146 CA ARG A 73 6.772 -1.208 -8.977 1.00 0.00 C ATOM 1147 C ARG A 73 6.419 -2.484 -8.216 1.00 0.00 C ATOM 1148 O ARG A 73 5.674 -2.445 -7.237 1.00 0.00 O ATOM 1149 CB ARG A 73 5.615 -0.811 -9.895 1.00 0.00 C ATOM 1150 CG ARG A 73 5.975 0.276 -10.896 1.00 0.00 C ATOM 1151 CD ARG A 73 5.030 0.274 -12.089 1.00 0.00 C ATOM 1152 NE ARG A 73 4.391 1.573 -12.283 1.00 0.00 N ATOM 1153 CZ ARG A 73 3.834 1.962 -13.429 1.00 0.00 C ATOM 1154 NH1 ARG A 73 3.835 1.154 -14.482 1.00 0.00 N ATOM 1155 NH2 ARG A 73 3.275 3.160 -13.523 1.00 0.00 N ATOM 0 H ARG A 73 7.851 -1.657 -10.719 1.00 0.00 H new ATOM 0 HA ARG A 73 6.942 -0.414 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.273 -1.693 -10.437 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.779 -0.468 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.941 1.249 -10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.998 0.129 -11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.583 0.004 -12.989 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.265 -0.488 -11.944 1.00 0.00 H new ATOM 0 HE ARG A 73 4.370 2.220 -11.495 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.263 0.231 -14.416 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.407 1.456 -15.357 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.271 3.786 -12.717 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.849 3.457 -14.401 1.00 0.00 H new ATOM 1169 N ASN A 74 6.956 -3.614 -8.669 1.00 0.00 N ATOM 1170 CA ASN A 74 6.691 -4.896 -8.022 1.00 0.00 C ATOM 1171 C ASN A 74 7.804 -5.251 -7.040 1.00 0.00 C ATOM 1172 O ASN A 74 8.090 -6.427 -6.810 1.00 0.00 O ATOM 1173 CB ASN A 74 6.547 -6.000 -9.072 1.00 0.00 C ATOM 1174 CG ASN A 74 7.681 -5.995 -10.077 1.00 0.00 C ATOM 1175 OD1 ASN A 74 7.640 -5.273 -11.073 1.00 0.00 O ATOM 1176 ND2 ASN A 74 8.704 -6.804 -9.820 1.00 0.00 N ATOM 0 H ASN A 74 7.575 -3.668 -9.478 1.00 0.00 H new ATOM 0 HA ASN A 74 5.757 -4.809 -7.467 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.511 -6.969 -8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.600 -5.877 -9.597 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.497 -6.843 -10.461 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.696 -7.385 -8.982 1.00 0.00 H new ATOM 1183 N GLU A 75 8.427 -4.228 -6.467 1.00 0.00 N ATOM 1184 CA GLU A 75 9.510 -4.424 -5.509 1.00 0.00 C ATOM 1185 C GLU A 75 9.190 -3.774 -4.162 1.00 0.00 C ATOM 1186 O GLU A 75 9.953 -3.908 -3.206 1.00 0.00 O ATOM 1187 CB GLU A 75 10.808 -3.823 -6.054 1.00 0.00 C ATOM 1188 CG GLU A 75 12.042 -4.656 -5.747 1.00 0.00 C ATOM 1189 CD GLU A 75 12.976 -4.773 -6.935 1.00 0.00 C ATOM 1190 OE1 GLU A 75 12.976 -5.838 -7.587 1.00 0.00 O ATOM 1191 OE2 GLU A 75 13.707 -3.799 -7.215 1.00 0.00 O ATOM 0 H GLU A 75 8.200 -3.250 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 75 9.627 -5.497 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.719 -3.706 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.940 -2.825 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.579 -4.209 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.734 -5.653 -5.432 1.00 0.00 H new ATOM 1198 N VAL A 76 8.073 -3.055 -4.102 1.00 0.00 N ATOM 1199 CA VAL A 76 7.664 -2.358 -2.884 1.00 0.00 C ATOM 1200 C VAL A 76 6.716 -3.198 -2.037 1.00 0.00 C ATOM 1201 O VAL A 76 6.126 -4.169 -2.510 1.00 0.00 O ATOM 1202 CB VAL A 76 6.993 -0.996 -3.205 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.828 -0.801 -4.706 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.649 -0.833 -2.487 1.00 0.00 C ATOM 0 H VAL A 76 7.431 -2.939 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 76 8.576 -2.181 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 76 7.660 -0.220 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.355 0.162 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.806 -0.827 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.204 -1.598 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.216 0.134 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.971 -1.627 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.803 -0.890 -1.409 1.00 0.00 H new ATOM 1214 N ARG A 77 6.557 -2.779 -0.790 1.00 0.00 N ATOM 1215 CA ARG A 77 5.660 -3.438 0.143 1.00 0.00 C ATOM 1216 C ARG A 77 4.795 -2.399 0.838 1.00 0.00 C ATOM 1217 O ARG A 77 5.262 -1.308 1.160 1.00 0.00 O ATOM 1218 CB ARG A 77 6.452 -4.252 1.167 1.00 0.00 C ATOM 1219 CG ARG A 77 6.795 -5.653 0.685 1.00 0.00 C ATOM 1220 CD ARG A 77 8.276 -5.961 0.845 1.00 0.00 C ATOM 1221 NE ARG A 77 8.727 -5.778 2.223 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.725 -6.463 2.778 1.00 0.00 C ATOM 1223 NH1 ARG A 77 10.388 -7.375 2.077 1.00 0.00 N ATOM 1224 NH2 ARG A 77 10.063 -6.234 4.039 1.00 0.00 N ATOM 0 H ARG A 77 7.046 -1.974 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 77 5.017 -4.125 -0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.374 -3.722 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.875 -4.323 2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.210 -6.383 1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.514 -5.755 -0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.469 -6.988 0.534 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.854 -5.314 0.185 1.00 0.00 H new ATOM 0 HE ARG A 77 8.248 -5.083 2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.134 -7.555 1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.151 -7.895 2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.559 -5.534 4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.827 -6.758 4.465 1.00 0.00 H new ATOM 1238 N PHE A 78 3.532 -2.743 1.058 1.00 0.00 N ATOM 1239 CA PHE A 78 2.597 -1.852 1.725 1.00 0.00 C ATOM 1240 C PHE A 78 2.348 -2.386 3.123 1.00 0.00 C ATOM 1241 O PHE A 78 2.221 -3.591 3.303 1.00 0.00 O ATOM 1242 CB PHE A 78 1.290 -1.755 0.939 1.00 0.00 C ATOM 1243 CG PHE A 78 1.415 -0.954 -0.326 1.00 0.00 C ATOM 1244 CD1 PHE A 78 0.607 0.149 -0.547 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.345 -1.303 -1.293 1.00 0.00 C ATOM 1246 CE1 PHE A 78 0.724 0.890 -1.709 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.466 -0.567 -2.456 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.654 0.531 -2.664 1.00 0.00 C ATOM 0 H PHE A 78 3.132 -3.639 0.781 1.00 0.00 H new ATOM 0 HA PHE A 78 3.016 -0.847 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.947 -2.760 0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.526 -1.304 1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.123 0.434 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.983 -2.160 -1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.089 1.748 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.194 -0.850 -3.202 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.747 1.108 -3.572 1.00 0.00 H new ATOM 1258 N PHE A 79 2.337 -1.511 4.117 1.00 0.00 N ATOM 1259 CA PHE A 79 2.154 -1.954 5.500 1.00 0.00 C ATOM 1260 C PHE A 79 1.300 -0.977 6.295 1.00 0.00 C ATOM 1261 O PHE A 79 1.388 0.236 6.105 1.00 0.00 O ATOM 1262 CB PHE A 79 3.526 -2.144 6.163 1.00 0.00 C ATOM 1263 CG PHE A 79 4.656 -2.118 5.171 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.465 -3.223 4.967 1.00 0.00 C ATOM 1265 CD2 PHE A 79 4.884 -0.982 4.423 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.478 -3.187 4.033 1.00 0.00 C ATOM 1267 CE2 PHE A 79 5.891 -0.935 3.487 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.690 -2.045 3.290 1.00 0.00 C ATOM 0 H PHE A 79 2.450 -0.504 4.001 1.00 0.00 H new ATOM 0 HA PHE A 79 1.624 -2.906 5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.679 -1.359 6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.539 -3.094 6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.301 -4.121 5.545 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.261 -0.113 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.106 -4.053 3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.056 -0.037 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.480 -2.018 2.554 1.00 0.00 H new ATOM 1278 N LEU A 80 0.467 -1.511 7.185 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.404 -0.671 8.001 1.00 0.00 C ATOM 1280 C LEU A 80 0.249 -0.328 9.336 1.00 0.00 C ATOM 1281 O LEU A 80 0.592 -1.215 10.118 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.745 -1.373 8.233 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.990 -0.562 7.851 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -3.338 0.438 8.943 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.782 0.142 6.516 1.00 0.00 C ATOM 0 H LEU A 80 0.377 -2.512 7.358 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.576 0.261 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.751 -2.304 7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.817 -1.642 9.287 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.828 -1.251 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.224 1.002 8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.537 -0.094 9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.503 1.123 9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.676 0.712 6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.930 0.817 6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.592 -0.599 5.740 1.00 0.00 H new ATOM 1297 N ARG A 81 0.416 0.968 9.587 1.00 0.00 N ATOM 1298 CA ARG A 81 1.026 1.434 10.826 1.00 0.00 C ATOM 1299 C ARG A 81 -0.018 2.069 11.738 1.00 0.00 C ATOM 1300 O ARG A 81 -0.671 3.045 11.367 1.00 0.00 O ATOM 1301 CB ARG A 81 2.136 2.443 10.524 1.00 0.00 C ATOM 1302 CG ARG A 81 3.290 1.854 9.729 1.00 0.00 C ATOM 1303 CD ARG A 81 4.630 2.139 10.392 1.00 0.00 C ATOM 1304 NE ARG A 81 4.721 1.536 11.719 1.00 0.00 N ATOM 1305 CZ ARG A 81 5.682 1.815 12.597 1.00 0.00 C ATOM 1306 NH1 ARG A 81 6.635 2.686 12.293 1.00 0.00 N ATOM 1307 NH2 ARG A 81 5.689 1.221 13.783 1.00 0.00 N ATOM 0 H ARG A 81 0.137 1.713 8.948 1.00 0.00 H new ATOM 0 HA ARG A 81 1.456 0.573 11.338 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.714 3.281 9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.519 2.842 11.463 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.153 0.777 9.632 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.287 2.268 8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.434 1.757 9.764 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.773 3.217 10.472 1.00 0.00 H new ATOM 0 HE ARG A 81 4.006 0.861 11.989 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.634 3.146 11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.369 2.896 12.970 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.958 0.551 14.022 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.425 1.434 14.456 1.00 0.00 H new