USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 513 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot -22:sc= 0.339 USER MOD Set 1.2: A 19 SER OG : rot 180:sc= 0.057 USER MOD Single : A 6 LYS NZ :NH3+ -111:sc= 0.234! (180deg=-4.32!) USER MOD Single : A 7 MET CE :methyl 173:sc= -0.212 (180deg=-0.309) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0923) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 2.64 K(o=2.6,f=-3.8!) USER MOD Single : A 44 THR OG1 : rot -59:sc= 0.963 USER MOD Single : A 47 TYR OH : rot -166:sc= 0.633 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 50 HIS : no HE2:sc= 0.918 K(o=0.92,f=-2.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -147:sc= -2.44 (180deg=-4.82!) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= -2.28 (180deg=-2.29) USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 0.585 (180deg=-0.578!) USER MOD Single : A 60 GLN : amide:sc= -0.0946 K(o=-0.095,f=-0.79) USER MOD Single : A 64 MET CE :methyl -127:sc= -0.0539 (180deg=-0.204) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.415 7.232 7.903 1.00 0.00 N ATOM 26 CA VAL A 3 -2.980 7.141 8.064 1.00 0.00 C ATOM 27 C VAL A 3 -2.348 6.804 6.718 1.00 0.00 C ATOM 28 O VAL A 3 -2.684 5.796 6.097 1.00 0.00 O ATOM 29 CB VAL A 3 -2.615 6.091 9.123 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.138 6.260 9.472 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.459 6.243 10.397 1.00 0.00 C ATOM 0 HA VAL A 3 -2.593 8.099 8.410 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.814 5.100 8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.855 5.523 10.224 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.534 6.115 8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.969 7.263 9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.168 5.480 11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.295 7.231 10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.514 6.125 10.151 1.00 0.00 H new ATOM 41 N VAL A 4 -1.427 7.663 6.288 1.00 0.00 N ATOM 42 CA VAL A 4 -0.682 7.564 5.056 1.00 0.00 C ATOM 43 C VAL A 4 0.459 6.553 5.235 1.00 0.00 C ATOM 44 O VAL A 4 1.375 6.793 6.020 1.00 0.00 O ATOM 45 CB VAL A 4 -0.162 8.977 4.739 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.712 8.972 3.490 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.322 9.960 4.509 1.00 0.00 C ATOM 0 H VAL A 4 -1.173 8.490 6.828 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.295 7.208 4.228 1.00 0.00 H new ATOM 0 HB VAL A 4 0.424 9.296 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.066 9.983 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.566 8.313 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.130 8.616 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.922 10.949 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.928 9.617 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.939 10.011 5.406 1.00 0.00 H new ATOM 57 N LEU A 5 0.422 5.441 4.498 1.00 0.00 N ATOM 58 CA LEU A 5 1.537 4.506 4.388 1.00 0.00 C ATOM 59 C LEU A 5 2.442 4.925 3.228 1.00 0.00 C ATOM 60 O LEU A 5 1.979 5.575 2.293 1.00 0.00 O ATOM 61 CB LEU A 5 1.004 3.084 4.208 1.00 0.00 C ATOM 62 CG LEU A 5 2.161 2.078 4.338 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.720 0.838 5.091 1.00 0.00 C ATOM 64 CD2 LEU A 5 2.711 1.644 2.987 1.00 0.00 C ATOM 0 H LEU A 5 -0.395 5.163 3.955 1.00 0.00 H new ATOM 0 HA LEU A 5 2.131 4.523 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.240 2.874 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.530 2.984 3.232 1.00 0.00 H new ATOM 0 HG LEU A 5 2.947 2.596 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.556 0.143 5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.387 1.118 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.900 0.360 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.525 0.935 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.919 1.171 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.084 2.516 2.449 1.00 0.00 H new ATOM 76 N LYS A 6 3.719 4.533 3.259 1.00 0.00 N ATOM 77 CA LYS A 6 4.675 4.731 2.177 1.00 0.00 C ATOM 78 C LYS A 6 5.452 3.417 1.994 1.00 0.00 C ATOM 79 O LYS A 6 6.090 2.954 2.939 1.00 0.00 O ATOM 80 CB LYS A 6 5.525 5.960 2.532 1.00 0.00 C ATOM 81 CG LYS A 6 5.837 6.875 1.332 1.00 0.00 C ATOM 82 CD LYS A 6 7.269 6.701 0.841 1.00 0.00 C ATOM 83 CE LYS A 6 7.704 7.959 0.069 1.00 0.00 C ATOM 84 NZ LYS A 6 9.114 7.900 -0.363 1.00 0.00 N ATOM 0 H LYS A 6 4.124 4.055 4.064 1.00 0.00 H new ATOM 0 HA LYS A 6 4.219 4.946 1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.004 6.541 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.463 5.625 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.145 6.655 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.675 7.915 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.936 6.531 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.340 5.824 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.065 8.084 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.557 8.836 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.671 8.596 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.491 6.947 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.175 8.116 -1.379 1.00 0.00 H new ATOM 98 N MET A 7 5.325 2.772 0.826 1.00 0.00 N ATOM 99 CA MET A 7 5.831 1.425 0.552 1.00 0.00 C ATOM 100 C MET A 7 6.658 1.408 -0.726 1.00 0.00 C ATOM 101 O MET A 7 6.399 2.188 -1.644 1.00 0.00 O ATOM 102 CB MET A 7 4.680 0.418 0.390 1.00 0.00 C ATOM 103 CG MET A 7 3.724 0.797 -0.743 1.00 0.00 C ATOM 104 SD MET A 7 2.097 0.028 -0.693 1.00 0.00 S ATOM 105 CE MET A 7 2.230 -1.189 -2.007 1.00 0.00 C ATOM 0 H MET A 7 4.853 3.188 0.023 1.00 0.00 H new ATOM 0 HA MET A 7 6.449 1.140 1.403 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.093 -0.572 0.197 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.123 0.354 1.325 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.593 1.879 -0.734 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.196 0.541 -1.691 1.00 0.00 H new ATOM 0 HE1 MET A 7 1.343 -1.822 -2.008 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.314 -0.680 -2.967 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.115 -1.805 -1.844 1.00 0.00 H new ATOM 115 N LYS A 8 7.595 0.460 -0.799 1.00 0.00 N ATOM 116 CA LYS A 8 8.352 0.153 -2.003 1.00 0.00 C ATOM 117 C LYS A 8 7.785 -1.124 -2.623 1.00 0.00 C ATOM 118 O LYS A 8 7.606 -2.122 -1.921 1.00 0.00 O ATOM 119 CB LYS A 8 9.844 0.024 -1.656 1.00 0.00 C ATOM 120 CG LYS A 8 10.550 1.380 -1.815 1.00 0.00 C ATOM 121 CD LYS A 8 10.844 1.646 -3.302 1.00 0.00 C ATOM 122 CE LYS A 8 12.207 1.094 -3.741 1.00 0.00 C ATOM 123 NZ LYS A 8 13.319 2.027 -3.498 1.00 0.00 N ATOM 0 H LYS A 8 7.850 -0.125 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 8 8.262 0.955 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.956 -0.334 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.312 -0.715 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.924 2.175 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.479 1.385 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.060 1.195 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.814 2.720 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.402 0.162 -3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.169 0.854 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.210 1.595 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.154 2.908 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.380 2.238 -2.481 1.00 0.00 H new ATOM 137 N VAL A 9 7.481 -1.066 -3.926 1.00 0.00 N ATOM 138 CA VAL A 9 6.959 -2.171 -4.721 1.00 0.00 C ATOM 139 C VAL A 9 8.056 -2.606 -5.692 1.00 0.00 C ATOM 140 O VAL A 9 8.020 -2.268 -6.874 1.00 0.00 O ATOM 141 CB VAL A 9 5.664 -1.753 -5.447 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.990 -2.976 -6.089 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.668 -1.111 -4.475 1.00 0.00 C ATOM 0 H VAL A 9 7.599 -0.212 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 9 6.691 -3.015 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 9 5.942 -1.030 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.078 -2.664 -6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.670 -3.429 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.744 -3.703 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.765 -0.826 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.413 -1.824 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.117 -0.225 -4.027 1.00 0.00 H new ATOM 153 N GLU A 10 9.048 -3.332 -5.176 1.00 0.00 N ATOM 154 CA GLU A 10 10.216 -3.719 -5.949 1.00 0.00 C ATOM 155 C GLU A 10 9.796 -4.589 -7.140 1.00 0.00 C ATOM 156 O GLU A 10 9.273 -5.688 -6.958 1.00 0.00 O ATOM 157 CB GLU A 10 11.262 -4.383 -5.052 1.00 0.00 C ATOM 158 CG GLU A 10 11.633 -3.552 -3.807 1.00 0.00 C ATOM 159 CD GLU A 10 12.542 -2.351 -4.059 1.00 0.00 C ATOM 160 OE1 GLU A 10 12.336 -1.652 -5.074 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.398 -2.091 -3.189 1.00 0.00 O ATOM 0 H GLU A 10 9.060 -3.665 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 10 10.692 -2.830 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.887 -5.354 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.164 -4.567 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.713 -3.197 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.121 -4.209 -3.087 1.00 0.00 H new ATOM 168 N GLY A 11 10.002 -4.076 -8.357 1.00 0.00 N ATOM 169 CA GLY A 11 9.671 -4.739 -9.608 1.00 0.00 C ATOM 170 C GLY A 11 9.022 -3.771 -10.598 1.00 0.00 C ATOM 171 O GLY A 11 9.580 -3.486 -11.657 1.00 0.00 O ATOM 0 H GLY A 11 10.419 -3.155 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.575 -5.161 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.994 -5.570 -9.413 1.00 0.00 H new ATOM 256 N THR A 18 -0.378 -1.502 -12.020 1.00 0.00 N ATOM 257 CA THR A 18 -0.704 -0.474 -11.041 1.00 0.00 C ATOM 258 C THR A 18 -2.190 -0.569 -10.744 1.00 0.00 C ATOM 259 O THR A 18 -2.565 -1.062 -9.688 1.00 0.00 O ATOM 260 CB THR A 18 -0.345 0.908 -11.594 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.789 1.009 -12.936 1.00 0.00 O ATOM 262 CG2 THR A 18 1.166 1.118 -11.554 1.00 0.00 C ATOM 0 HA THR A 18 -0.134 -0.621 -10.124 1.00 0.00 H new ATOM 0 HB THR A 18 -0.830 1.668 -10.981 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.889 0.111 -13.316 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.407 2.105 -11.950 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.516 1.045 -10.524 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.656 0.355 -12.159 1.00 0.00 H new ATOM 270 N SER A 19 -3.043 -0.164 -11.683 1.00 0.00 N ATOM 271 CA SER A 19 -4.462 0.001 -11.418 1.00 0.00 C ATOM 272 C SER A 19 -5.133 -1.234 -10.845 1.00 0.00 C ATOM 273 O SER A 19 -5.993 -1.122 -9.973 1.00 0.00 O ATOM 274 CB SER A 19 -5.167 0.520 -12.673 1.00 0.00 C ATOM 275 OG SER A 19 -4.294 1.387 -13.374 1.00 0.00 O ATOM 0 H SER A 19 -2.768 0.056 -12.640 1.00 0.00 H new ATOM 0 HA SER A 19 -4.555 0.745 -10.627 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.460 -0.314 -13.311 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.080 1.048 -12.399 1.00 0.00 H new ATOM 0 HG SER A 19 -4.741 1.720 -14.180 1.00 0.00 H new ATOM 281 N THR A 20 -4.710 -2.409 -11.301 1.00 0.00 N ATOM 282 CA THR A 20 -5.082 -3.660 -10.675 1.00 0.00 C ATOM 283 C THR A 20 -4.788 -3.636 -9.176 1.00 0.00 C ATOM 284 O THR A 20 -5.691 -3.835 -8.367 1.00 0.00 O ATOM 285 CB THR A 20 -4.361 -4.803 -11.403 1.00 0.00 C ATOM 286 OG1 THR A 20 -5.029 -5.050 -12.623 1.00 0.00 O ATOM 287 CG2 THR A 20 -4.323 -6.072 -10.558 1.00 0.00 C ATOM 0 H THR A 20 -4.102 -2.514 -12.113 1.00 0.00 H new ATOM 0 HA THR A 20 -6.157 -3.818 -10.762 1.00 0.00 H new ATOM 0 HB THR A 20 -3.328 -4.508 -11.588 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.579 -5.777 -13.101 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.805 -6.859 -11.106 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.796 -5.872 -9.625 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.341 -6.393 -10.338 1.00 0.00 H new ATOM 295 N ILE A 21 -3.525 -3.415 -8.811 1.00 0.00 N ATOM 296 CA ILE A 21 -3.101 -3.321 -7.434 1.00 0.00 C ATOM 297 C ILE A 21 -3.933 -2.244 -6.741 1.00 0.00 C ATOM 298 O ILE A 21 -4.553 -2.535 -5.727 1.00 0.00 O ATOM 299 CB ILE A 21 -1.570 -3.111 -7.399 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.847 -4.448 -7.656 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.048 -2.488 -6.100 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.478 -4.649 -9.125 1.00 0.00 C ATOM 0 H ILE A 21 -2.765 -3.296 -9.481 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.280 -4.237 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.353 -2.394 -8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.058 -4.489 -7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.485 -5.269 -7.331 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.035 -2.376 -6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.507 -1.510 -5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.300 -3.135 -5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.028 -5.607 -9.245 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.383 -4.638 -9.732 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.184 -3.846 -9.447 1.00 0.00 H new ATOM 314 N GLU A 22 -4.009 -1.034 -7.298 1.00 0.00 N ATOM 315 CA GLU A 22 -4.697 0.083 -6.670 1.00 0.00 C ATOM 316 C GLU A 22 -6.165 -0.256 -6.406 1.00 0.00 C ATOM 317 O GLU A 22 -6.604 -0.396 -5.267 1.00 0.00 O ATOM 318 CB GLU A 22 -4.523 1.340 -7.531 1.00 0.00 C ATOM 319 CG GLU A 22 -3.049 1.764 -7.527 1.00 0.00 C ATOM 320 CD GLU A 22 -2.777 2.930 -8.461 1.00 0.00 C ATOM 321 OE1 GLU A 22 -2.979 2.722 -9.676 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.344 3.984 -7.945 1.00 0.00 O ATOM 0 H GLU A 22 -3.592 -0.806 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.254 0.285 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.853 1.143 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.145 2.147 -7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.756 2.038 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.430 0.916 -7.819 1.00 0.00 H new ATOM 329 N GLY A 23 -6.916 -0.406 -7.487 1.00 0.00 N ATOM 330 CA GLY A 23 -8.318 -0.784 -7.496 1.00 0.00 C ATOM 331 C GLY A 23 -8.607 -1.967 -6.573 1.00 0.00 C ATOM 332 O GLY A 23 -9.511 -1.892 -5.743 1.00 0.00 O ATOM 0 H GLY A 23 -6.545 -0.260 -8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.924 0.069 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.617 -1.038 -8.513 1.00 0.00 H new ATOM 336 N LYS A 24 -7.856 -3.068 -6.705 1.00 0.00 N ATOM 337 CA LYS A 24 -8.102 -4.244 -5.886 1.00 0.00 C ATOM 338 C LYS A 24 -7.852 -3.928 -4.415 1.00 0.00 C ATOM 339 O LYS A 24 -8.691 -4.225 -3.570 1.00 0.00 O ATOM 340 CB LYS A 24 -7.276 -5.442 -6.372 1.00 0.00 C ATOM 341 CG LYS A 24 -7.691 -6.726 -5.637 1.00 0.00 C ATOM 342 CD LYS A 24 -7.370 -7.964 -6.485 1.00 0.00 C ATOM 343 CE LYS A 24 -7.926 -9.242 -5.832 1.00 0.00 C ATOM 344 NZ LYS A 24 -8.609 -10.117 -6.810 1.00 0.00 N ATOM 0 H LYS A 24 -7.084 -3.161 -7.365 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.150 -4.527 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.413 -5.572 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.216 -5.250 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.170 -6.789 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.758 -6.696 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.796 -7.846 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.291 -8.055 -6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.111 -9.792 -5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.624 -8.970 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.967 -10.965 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.404 -9.602 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.937 -10.400 -7.552 1.00 0.00 H new ATOM 358 N ILE A 25 -6.714 -3.312 -4.096 1.00 0.00 N ATOM 359 CA ILE A 25 -6.400 -2.919 -2.739 1.00 0.00 C ATOM 360 C ILE A 25 -7.454 -1.951 -2.191 1.00 0.00 C ATOM 361 O ILE A 25 -7.768 -1.991 -1.004 1.00 0.00 O ATOM 362 CB ILE A 25 -4.957 -2.401 -2.697 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.910 -3.507 -2.907 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.689 -1.544 -1.470 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.957 -4.550 -1.805 1.00 0.00 C ATOM 0 H ILE A 25 -5.991 -3.076 -4.775 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.444 -3.773 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.845 -1.741 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.080 -3.989 -3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.915 -3.063 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.655 -1.201 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.357 -0.683 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.863 -2.133 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.201 -5.312 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.761 -4.074 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.943 -5.014 -1.785 1.00 0.00 H new ATOM 377 N GLY A 26 -8.074 -1.149 -3.057 1.00 0.00 N ATOM 378 CA GLY A 26 -9.228 -0.326 -2.733 1.00 0.00 C ATOM 379 C GLY A 26 -10.370 -1.085 -2.043 1.00 0.00 C ATOM 380 O GLY A 26 -11.179 -0.456 -1.366 1.00 0.00 O ATOM 0 H GLY A 26 -7.776 -1.055 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.907 0.491 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.608 0.124 -3.650 1.00 0.00 H new ATOM 384 N LYS A 27 -10.477 -2.413 -2.198 1.00 0.00 N ATOM 385 CA LYS A 27 -11.507 -3.189 -1.537 1.00 0.00 C ATOM 386 C LYS A 27 -11.122 -3.519 -0.095 1.00 0.00 C ATOM 387 O LYS A 27 -11.980 -3.946 0.675 1.00 0.00 O ATOM 388 CB LYS A 27 -11.750 -4.472 -2.327 1.00 0.00 C ATOM 389 CG LYS A 27 -12.686 -4.222 -3.511 1.00 0.00 C ATOM 390 CD LYS A 27 -14.162 -4.209 -3.071 1.00 0.00 C ATOM 391 CE LYS A 27 -15.142 -4.306 -4.250 1.00 0.00 C ATOM 392 NZ LYS A 27 -15.094 -5.621 -4.922 1.00 0.00 N ATOM 0 H LYS A 27 -9.851 -2.965 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.421 -2.596 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.800 -4.866 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.181 -5.229 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.436 -3.270 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.537 -4.996 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.339 -5.041 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.361 -3.293 -2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.155 -4.122 -3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.913 -3.524 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.893 -5.703 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.201 -5.710 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.154 -6.377 -4.210 1.00 0.00 H new ATOM 406 N LEU A 28 -9.836 -3.419 0.260 1.00 0.00 N ATOM 407 CA LEU A 28 -9.350 -3.997 1.487 1.00 0.00 C ATOM 408 C LEU A 28 -9.970 -3.311 2.698 1.00 0.00 C ATOM 409 O LEU A 28 -10.045 -2.084 2.783 1.00 0.00 O ATOM 410 CB LEU A 28 -7.829 -3.901 1.569 1.00 0.00 C ATOM 411 CG LEU A 28 -6.996 -4.742 0.587 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.218 -5.774 1.391 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.794 -5.519 -0.457 1.00 0.00 C ATOM 0 H LEU A 28 -9.125 -2.941 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.640 -5.048 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.553 -2.856 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.531 -4.178 2.580 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.377 -4.026 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.618 -6.384 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.563 -5.266 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.915 -6.412 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.110 -6.077 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.470 -6.213 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.373 -4.823 -1.064 1.00 0.00 H new ATOM 425 N GLN A 29 -10.369 -4.140 3.656 1.00 0.00 N ATOM 426 CA GLN A 29 -10.948 -3.727 4.919 1.00 0.00 C ATOM 427 C GLN A 29 -9.999 -2.772 5.653 1.00 0.00 C ATOM 428 O GLN A 29 -9.018 -3.203 6.248 1.00 0.00 O ATOM 429 CB GLN A 29 -11.362 -4.970 5.720 1.00 0.00 C ATOM 430 CG GLN A 29 -10.162 -5.844 6.100 1.00 0.00 C ATOM 431 CD GLN A 29 -10.519 -7.317 6.267 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.656 -7.666 6.568 1.00 0.00 O ATOM 433 NE2 GLN A 29 -9.555 -8.206 6.042 1.00 0.00 N ATOM 0 H GLN A 29 -10.293 -5.153 3.567 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.861 -3.152 4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.883 -4.659 6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.067 -5.559 5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.394 -5.748 5.333 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.731 -5.474 7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.618 -7.890 5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.753 -9.204 6.118 1.00 0.00 H new ATOM 442 N GLY A 30 -10.277 -1.467 5.577 1.00 0.00 N ATOM 443 CA GLY A 30 -9.458 -0.432 6.188 1.00 0.00 C ATOM 444 C GLY A 30 -9.023 0.641 5.204 1.00 0.00 C ATOM 445 O GLY A 30 -8.763 1.765 5.628 1.00 0.00 O ATOM 0 H GLY A 30 -11.090 -1.101 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.017 0.033 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.574 -0.891 6.631 1.00 0.00 H new ATOM 449 N VAL A 31 -8.910 0.317 3.914 1.00 0.00 N ATOM 450 CA VAL A 31 -8.352 1.232 2.951 1.00 0.00 C ATOM 451 C VAL A 31 -9.401 2.266 2.554 1.00 0.00 C ATOM 452 O VAL A 31 -10.547 1.924 2.275 1.00 0.00 O ATOM 453 CB VAL A 31 -7.832 0.413 1.762 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.620 1.280 0.528 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.509 -0.255 2.140 1.00 0.00 C ATOM 0 H VAL A 31 -9.203 -0.579 3.524 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.514 1.791 3.368 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.583 -0.340 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.252 0.663 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.565 1.740 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.891 2.059 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.140 -0.836 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.777 0.509 2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.665 -0.915 2.994 1.00 0.00 H new ATOM 465 N GLN A 32 -8.977 3.529 2.515 1.00 0.00 N ATOM 466 CA GLN A 32 -9.750 4.647 2.002 1.00 0.00 C ATOM 467 C GLN A 32 -9.215 5.080 0.636 1.00 0.00 C ATOM 468 O GLN A 32 -10.009 5.424 -0.238 1.00 0.00 O ATOM 469 CB GLN A 32 -9.793 5.761 3.043 1.00 0.00 C ATOM 470 CG GLN A 32 -11.027 5.617 3.951 1.00 0.00 C ATOM 471 CD GLN A 32 -12.166 6.515 3.481 1.00 0.00 C ATOM 472 OE1 GLN A 32 -13.000 6.109 2.679 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.211 7.749 3.972 1.00 0.00 N ATOM 0 H GLN A 32 -8.055 3.805 2.852 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.785 4.351 1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.887 5.734 3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.815 6.730 2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.358 4.579 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.759 5.872 4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -11.503 8.059 4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -12.953 8.386 3.683 1.00 0.00 H new ATOM 482 N ARG A 33 -7.895 5.046 0.408 1.00 0.00 N ATOM 483 CA ARG A 33 -7.353 5.315 -0.920 1.00 0.00 C ATOM 484 C ARG A 33 -5.946 4.736 -1.078 1.00 0.00 C ATOM 485 O ARG A 33 -5.336 4.301 -0.101 1.00 0.00 O ATOM 486 CB ARG A 33 -7.401 6.830 -1.214 1.00 0.00 C ATOM 487 CG ARG A 33 -8.177 7.104 -2.510 1.00 0.00 C ATOM 488 CD ARG A 33 -8.542 8.586 -2.650 1.00 0.00 C ATOM 489 NE ARG A 33 -9.501 8.769 -3.751 1.00 0.00 N ATOM 490 CZ ARG A 33 -10.252 9.865 -3.954 1.00 0.00 C ATOM 491 NH1 ARG A 33 -10.043 10.962 -3.218 1.00 0.00 N ATOM 492 NH2 ARG A 33 -11.211 9.853 -4.886 1.00 0.00 N ATOM 0 H ARG A 33 -7.195 4.837 1.120 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.975 4.812 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.874 7.353 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.387 7.222 -1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.577 6.795 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.086 6.503 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.972 8.952 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.643 9.174 -2.839 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.604 8.001 -4.414 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.315 10.966 -2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.612 11.795 -3.371 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.372 9.013 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.782 10.684 -5.041 1.00 0.00 H new ATOM 506 N ILE A 34 -5.448 4.742 -2.317 1.00 0.00 N ATOM 507 CA ILE A 34 -4.129 4.262 -2.701 1.00 0.00 C ATOM 508 C ILE A 34 -3.645 5.058 -3.913 1.00 0.00 C ATOM 509 O ILE A 34 -4.469 5.587 -4.657 1.00 0.00 O ATOM 510 CB ILE A 34 -4.155 2.738 -2.948 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.740 2.237 -3.295 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.168 2.326 -4.030 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.566 0.723 -3.175 1.00 0.00 C ATOM 0 H ILE A 34 -5.981 5.098 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.416 4.422 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.488 2.265 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.499 2.540 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.022 2.728 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.142 1.244 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.169 2.631 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.912 2.811 -4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.543 0.453 -3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.773 0.413 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.258 0.222 -3.852 1.00 0.00 H new ATOM 525 N LYS A 35 -2.322 5.181 -4.065 1.00 0.00 N ATOM 526 CA LYS A 35 -1.655 5.847 -5.167 1.00 0.00 C ATOM 527 C LYS A 35 -0.293 5.174 -5.385 1.00 0.00 C ATOM 528 O LYS A 35 0.548 5.191 -4.482 1.00 0.00 O ATOM 529 CB LYS A 35 -1.543 7.349 -4.857 1.00 0.00 C ATOM 530 CG LYS A 35 -0.896 7.670 -3.498 1.00 0.00 C ATOM 531 CD LYS A 35 -1.484 8.929 -2.848 1.00 0.00 C ATOM 532 CE LYS A 35 -0.943 10.225 -3.463 1.00 0.00 C ATOM 533 NZ LYS A 35 -1.422 11.417 -2.729 1.00 0.00 N ATOM 0 H LYS A 35 -1.664 4.798 -3.386 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.221 5.758 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.962 7.828 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.540 7.789 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.030 6.822 -2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.177 7.803 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.569 8.911 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.262 8.919 -1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.147 10.205 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.253 10.290 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.037 12.275 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.461 11.449 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.105 11.366 -1.740 1.00 0.00 H new ATOM 547 N VAL A 36 -0.097 4.552 -6.550 1.00 0.00 N ATOM 548 CA VAL A 36 1.103 3.805 -6.926 1.00 0.00 C ATOM 549 C VAL A 36 1.862 4.554 -8.028 1.00 0.00 C ATOM 550 O VAL A 36 1.342 4.730 -9.128 1.00 0.00 O ATOM 551 CB VAL A 36 0.698 2.388 -7.373 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.881 1.577 -7.906 1.00 0.00 C ATOM 553 CG2 VAL A 36 0.097 1.590 -6.208 1.00 0.00 C ATOM 0 H VAL A 36 -0.801 4.556 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 36 1.773 3.715 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.033 2.535 -8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.538 0.587 -8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.314 2.087 -8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.635 1.478 -7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.179 0.594 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.832 1.505 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.789 2.103 -5.834 1.00 0.00 H new ATOM 563 N SER A 37 3.100 4.975 -7.753 1.00 0.00 N ATOM 564 CA SER A 37 3.951 5.705 -8.652 1.00 0.00 C ATOM 565 C SER A 37 5.017 4.775 -9.240 1.00 0.00 C ATOM 566 O SER A 37 5.976 4.398 -8.561 1.00 0.00 O ATOM 567 CB SER A 37 4.585 6.819 -7.831 1.00 0.00 C ATOM 568 OG SER A 37 3.665 7.880 -7.641 1.00 0.00 O ATOM 0 H SER A 37 3.542 4.800 -6.851 1.00 0.00 H new ATOM 0 HA SER A 37 3.392 6.117 -9.492 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.905 6.430 -6.864 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.477 7.189 -8.337 1.00 0.00 H new ATOM 0 HG SER A 37 4.087 8.588 -7.110 1.00 0.00 H new ATOM 574 N LEU A 38 4.865 4.455 -10.528 1.00 0.00 N ATOM 575 CA LEU A 38 5.906 3.858 -11.360 1.00 0.00 C ATOM 576 C LEU A 38 7.122 4.791 -11.443 1.00 0.00 C ATOM 577 O LEU A 38 7.119 5.856 -10.823 1.00 0.00 O ATOM 578 CB LEU A 38 5.327 3.622 -12.757 1.00 0.00 C ATOM 579 CG LEU A 38 4.207 2.571 -12.740 1.00 0.00 C ATOM 580 CD1 LEU A 38 3.088 3.038 -13.674 1.00 0.00 C ATOM 581 CD2 LEU A 38 4.764 1.204 -13.133 1.00 0.00 C ATOM 0 H LEU A 38 3.991 4.609 -11.031 1.00 0.00 H new ATOM 0 HA LEU A 38 6.233 2.914 -10.925 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.939 4.560 -13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.121 3.296 -13.429 1.00 0.00 H new ATOM 0 HG LEU A 38 3.793 2.463 -11.737 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.283 2.303 -13.674 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.703 3.997 -13.329 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.480 3.147 -14.685 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.962 0.466 -13.118 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.188 1.258 -14.136 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.540 0.911 -12.426 1.00 0.00 H new ATOM 593 N ASP A 39 8.155 4.384 -12.192 1.00 0.00 N ATOM 594 CA ASP A 39 9.425 5.067 -12.423 1.00 0.00 C ATOM 595 C ASP A 39 10.207 5.212 -11.133 1.00 0.00 C ATOM 596 O ASP A 39 11.240 4.581 -10.928 1.00 0.00 O ATOM 597 CB ASP A 39 9.244 6.461 -13.025 1.00 0.00 C ATOM 598 CG ASP A 39 8.596 6.480 -14.406 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.240 5.392 -14.910 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.437 7.605 -14.926 1.00 0.00 O ATOM 0 H ASP A 39 8.116 3.495 -12.691 1.00 0.00 H new ATOM 0 HA ASP A 39 9.969 4.445 -13.133 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.637 7.059 -12.346 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.219 6.943 -13.090 1.00 0.00 H new ATOM 605 N ASN A 40 9.691 6.076 -10.256 1.00 0.00 N ATOM 606 CA ASN A 40 10.219 6.237 -8.929 1.00 0.00 C ATOM 607 C ASN A 40 10.089 4.912 -8.176 1.00 0.00 C ATOM 608 O ASN A 40 10.862 4.617 -7.268 1.00 0.00 O ATOM 609 CB ASN A 40 9.500 7.357 -8.161 1.00 0.00 C ATOM 610 CG ASN A 40 10.300 8.655 -8.160 1.00 0.00 C ATOM 611 OD1 ASN A 40 11.078 8.908 -7.248 1.00 0.00 O ATOM 612 ND2 ASN A 40 10.110 9.500 -9.168 1.00 0.00 N ATOM 0 H ASN A 40 8.894 6.678 -10.461 1.00 0.00 H new ATOM 0 HA ASN A 40 11.268 6.521 -9.007 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.523 7.534 -8.610 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.326 7.038 -7.133 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.618 10.384 -9.195 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.456 9.264 -9.915 1.00 0.00 H new ATOM 619 N GLN A 41 9.075 4.131 -8.567 1.00 0.00 N ATOM 620 CA GLN A 41 8.802 2.795 -8.124 1.00 0.00 C ATOM 621 C GLN A 41 8.511 2.755 -6.635 1.00 0.00 C ATOM 622 O GLN A 41 9.196 2.076 -5.867 1.00 0.00 O ATOM 623 CB GLN A 41 9.944 1.883 -8.546 1.00 0.00 C ATOM 624 CG GLN A 41 9.381 0.469 -8.520 1.00 0.00 C ATOM 625 CD GLN A 41 10.372 -0.491 -7.893 1.00 0.00 C ATOM 626 OE1 GLN A 41 10.873 -1.404 -8.542 1.00 0.00 O ATOM 627 NE2 GLN A 41 10.654 -0.252 -6.617 1.00 0.00 N ATOM 0 H GLN A 41 8.388 4.455 -9.248 1.00 0.00 H new ATOM 0 HA GLN A 41 7.895 2.425 -8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.303 2.142 -9.542 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.791 1.978 -7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.447 0.454 -7.958 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.147 0.147 -9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.203 0.524 -6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.321 -0.844 -6.123 1.00 0.00 H new ATOM 636 N GLU A 42 7.463 3.470 -6.243 1.00 0.00 N ATOM 637 CA GLU A 42 7.076 3.639 -4.858 1.00 0.00 C ATOM 638 C GLU A 42 5.565 3.859 -4.820 1.00 0.00 C ATOM 639 O GLU A 42 4.979 4.265 -5.821 1.00 0.00 O ATOM 640 CB GLU A 42 7.877 4.813 -4.273 1.00 0.00 C ATOM 641 CG GLU A 42 7.926 4.750 -2.745 1.00 0.00 C ATOM 642 CD GLU A 42 8.922 5.732 -2.164 1.00 0.00 C ATOM 643 OE1 GLU A 42 9.009 6.867 -2.680 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.499 5.437 -1.089 1.00 0.00 O ATOM 0 H GLU A 42 6.849 3.956 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 42 7.298 2.763 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.891 4.798 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.426 5.755 -4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.935 4.959 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.190 3.740 -2.433 1.00 0.00 H new ATOM 651 N ALA A 43 4.916 3.569 -3.695 1.00 0.00 N ATOM 652 CA ALA A 43 3.475 3.736 -3.571 1.00 0.00 C ATOM 653 C ALA A 43 3.129 4.247 -2.179 1.00 0.00 C ATOM 654 O ALA A 43 3.960 4.203 -1.269 1.00 0.00 O ATOM 655 CB ALA A 43 2.774 2.416 -3.877 1.00 0.00 C ATOM 0 H ALA A 43 5.371 3.215 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 43 3.127 4.476 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.696 2.546 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.014 2.103 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.110 1.654 -3.174 1.00 0.00 H new ATOM 661 N THR A 44 1.889 4.707 -2.014 1.00 0.00 N ATOM 662 CA THR A 44 1.350 5.156 -0.748 1.00 0.00 C ATOM 663 C THR A 44 -0.096 4.689 -0.681 1.00 0.00 C ATOM 664 O THR A 44 -0.783 4.659 -1.703 1.00 0.00 O ATOM 665 CB THR A 44 1.496 6.686 -0.633 1.00 0.00 C ATOM 666 OG1 THR A 44 2.705 6.982 0.030 1.00 0.00 O ATOM 667 CG2 THR A 44 0.367 7.375 0.141 1.00 0.00 C ATOM 0 H THR A 44 1.221 4.776 -2.782 1.00 0.00 H new ATOM 0 HA THR A 44 1.892 4.735 0.099 1.00 0.00 H new ATOM 0 HB THR A 44 1.467 7.064 -1.655 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.700 6.570 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.550 8.449 0.173 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.584 7.184 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.331 6.983 1.157 1.00 0.00 H new ATOM 675 N ILE A 45 -0.534 4.316 0.522 1.00 0.00 N ATOM 676 CA ILE A 45 -1.895 3.890 0.805 1.00 0.00 C ATOM 677 C ILE A 45 -2.431 4.804 1.907 1.00 0.00 C ATOM 678 O ILE A 45 -1.626 5.453 2.573 1.00 0.00 O ATOM 679 CB ILE A 45 -1.946 2.412 1.191 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.146 1.569 0.187 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.409 1.924 1.162 1.00 0.00 C ATOM 682 CD1 ILE A 45 -0.734 0.276 0.859 1.00 0.00 C ATOM 0 H ILE A 45 0.068 4.303 1.345 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.523 3.977 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.521 2.302 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.749 1.360 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.266 2.117 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.446 0.870 1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.000 2.505 1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.815 2.052 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.165 -0.333 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.117 0.499 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.623 -0.270 1.175 1.00 0.00 H new ATOM 694 N VAL A 46 -3.748 4.865 2.121 1.00 0.00 N ATOM 695 CA VAL A 46 -4.346 5.638 3.196 1.00 0.00 C ATOM 696 C VAL A 46 -5.410 4.779 3.886 1.00 0.00 C ATOM 697 O VAL A 46 -6.368 4.347 3.240 1.00 0.00 O ATOM 698 CB VAL A 46 -4.732 7.045 2.719 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.084 7.083 2.056 1.00 0.00 C ATOM 700 CG2 VAL A 46 -4.712 8.057 3.861 1.00 0.00 C ATOM 0 H VAL A 46 -4.429 4.372 1.544 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.638 5.871 3.991 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.977 7.317 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.305 8.102 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.082 6.425 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.845 6.749 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.991 9.040 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.420 7.751 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.710 8.104 4.288 1.00 0.00 H new ATOM 710 N TYR A 47 -5.159 4.417 5.152 1.00 0.00 N ATOM 711 CA TYR A 47 -5.937 3.443 5.918 1.00 0.00 C ATOM 712 C TYR A 47 -5.708 3.666 7.412 1.00 0.00 C ATOM 713 O TYR A 47 -4.951 4.560 7.771 1.00 0.00 O ATOM 714 CB TYR A 47 -5.537 2.022 5.518 1.00 0.00 C ATOM 715 CG TYR A 47 -4.129 1.629 5.898 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.090 1.804 4.971 1.00 0.00 C ATOM 717 CD2 TYR A 47 -3.887 0.929 7.094 1.00 0.00 C ATOM 718 CE1 TYR A 47 -1.882 1.118 5.143 1.00 0.00 C ATOM 719 CE2 TYR A 47 -2.664 0.271 7.284 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.677 0.333 6.288 1.00 0.00 C ATOM 721 OH TYR A 47 -0.560 -0.434 6.368 1.00 0.00 O ATOM 0 H TYR A 47 -4.383 4.809 5.685 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.997 3.575 5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.232 1.321 5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.649 1.918 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.222 2.466 4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.643 0.899 7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.107 1.193 4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.482 -0.282 8.194 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.661 -1.084 7.095 1.00 0.00 H new ATOM 731 N GLN A 48 -6.339 2.881 8.296 1.00 0.00 N ATOM 732 CA GLN A 48 -6.107 2.959 9.728 1.00 0.00 C ATOM 733 C GLN A 48 -6.057 1.593 10.426 1.00 0.00 C ATOM 734 O GLN A 48 -6.789 0.681 10.032 1.00 0.00 O ATOM 735 CB GLN A 48 -7.173 3.844 10.360 1.00 0.00 C ATOM 736 CG GLN A 48 -8.529 3.654 9.691 1.00 0.00 C ATOM 737 CD GLN A 48 -9.676 4.237 10.511 1.00 0.00 C ATOM 738 OE1 GLN A 48 -9.465 5.021 11.431 1.00 0.00 O ATOM 739 NE2 GLN A 48 -10.908 3.850 10.196 1.00 0.00 N ATOM 0 H GLN A 48 -7.025 2.175 8.028 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.117 3.393 9.867 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.255 3.613 11.422 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.872 4.889 10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.514 4.125 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.705 2.590 9.532 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -11.056 3.197 9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.705 4.206 10.724 1.00 0.00 H new ATOM 748 N PRO A 49 -5.249 1.464 11.499 1.00 0.00 N ATOM 749 CA PRO A 49 -5.260 0.309 12.382 1.00 0.00 C ATOM 750 C PRO A 49 -6.568 0.271 13.173 1.00 0.00 C ATOM 751 O PRO A 49 -6.637 0.659 14.338 1.00 0.00 O ATOM 752 CB PRO A 49 -4.036 0.448 13.288 1.00 0.00 C ATOM 753 CG PRO A 49 -3.815 1.957 13.352 1.00 0.00 C ATOM 754 CD PRO A 49 -4.291 2.451 11.985 1.00 0.00 C ATOM 0 HA PRO A 49 -5.208 -0.631 11.833 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.217 0.026 14.276 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.169 -0.068 12.875 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.385 2.411 14.163 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.767 2.201 13.523 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.755 3.434 12.068 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.453 2.551 11.295 1.00 0.00 H new ATOM 762 N HIS A 50 -7.611 -0.205 12.506 1.00 0.00 N ATOM 763 CA HIS A 50 -8.884 -0.596 13.087 1.00 0.00 C ATOM 764 C HIS A 50 -9.335 -1.860 12.370 1.00 0.00 C ATOM 765 O HIS A 50 -9.640 -2.869 12.997 1.00 0.00 O ATOM 766 CB HIS A 50 -9.915 0.533 12.931 1.00 0.00 C ATOM 767 CG HIS A 50 -10.103 1.334 14.192 1.00 0.00 C ATOM 768 ND1 HIS A 50 -9.099 1.788 15.017 1.00 0.00 N ATOM 769 CD2 HIS A 50 -11.297 1.617 14.799 1.00 0.00 C ATOM 770 CE1 HIS A 50 -9.683 2.347 16.091 1.00 0.00 C ATOM 771 NE2 HIS A 50 -11.020 2.267 16.004 1.00 0.00 N ATOM 0 H HIS A 50 -7.589 -0.334 11.494 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.784 -0.786 14.156 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.599 1.198 12.128 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.872 0.105 12.632 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -8.096 1.714 14.845 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.278 1.380 14.415 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.148 2.800 16.913 1.00 0.00 H new ATOM 779 N LEU A 51 -9.362 -1.788 11.039 1.00 0.00 N ATOM 780 CA LEU A 51 -9.812 -2.872 10.192 1.00 0.00 C ATOM 781 C LEU A 51 -8.640 -3.755 9.751 1.00 0.00 C ATOM 782 O LEU A 51 -8.868 -4.910 9.402 1.00 0.00 O ATOM 783 CB LEU A 51 -10.573 -2.286 8.997 1.00 0.00 C ATOM 784 CG LEU A 51 -11.796 -1.441 9.415 1.00 0.00 C ATOM 785 CD1 LEU A 51 -11.509 0.066 9.528 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.930 -1.629 8.404 1.00 0.00 C ATOM 0 H LEU A 51 -9.066 -0.961 10.521 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.487 -3.518 10.753 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.895 -1.667 8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.904 -3.099 8.350 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.071 -1.799 10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.418 0.588 9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.733 0.234 10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.172 0.446 8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.789 -1.030 8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.594 -1.311 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.215 -2.680 8.369 1.00 0.00 H new ATOM 798 N ILE A 52 -7.400 -3.239 9.758 1.00 0.00 N ATOM 799 CA ILE A 52 -6.236 -3.938 9.257 1.00 0.00 C ATOM 800 C ILE A 52 -5.104 -3.930 10.281 1.00 0.00 C ATOM 801 O ILE A 52 -4.930 -2.955 11.010 1.00 0.00 O ATOM 802 CB ILE A 52 -5.835 -3.326 7.919 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.772 -4.156 7.208 1.00 0.00 C ATOM 804 CG2 ILE A 52 -5.332 -1.906 8.094 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.310 -5.533 6.859 1.00 0.00 C ATOM 0 H ILE A 52 -7.189 -2.309 10.120 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.473 -4.989 9.092 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.733 -3.315 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.451 -3.645 6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.894 -4.254 7.846 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.054 -1.496 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.118 -1.293 8.535 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.462 -1.907 8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.535 -6.109 6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.607 -6.049 7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.174 -5.430 6.202 1.00 0.00 H new ATOM 817 N SER A 53 -4.290 -4.988 10.309 1.00 0.00 N ATOM 818 CA SER A 53 -3.297 -5.233 11.344 1.00 0.00 C ATOM 819 C SER A 53 -1.989 -4.459 11.181 1.00 0.00 C ATOM 820 O SER A 53 -0.939 -4.927 11.615 1.00 0.00 O ATOM 821 CB SER A 53 -3.024 -6.721 11.395 1.00 0.00 C ATOM 822 OG SER A 53 -4.233 -7.442 11.263 1.00 0.00 O ATOM 0 H SER A 53 -4.308 -5.713 9.592 1.00 0.00 H new ATOM 0 HA SER A 53 -3.719 -4.865 12.279 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.336 -7.000 10.597 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.540 -6.978 12.337 1.00 0.00 H new ATOM 0 HG SER A 53 -4.046 -8.403 11.295 1.00 0.00 H new ATOM 828 N VAL A 54 -2.058 -3.303 10.530 1.00 0.00 N ATOM 829 CA VAL A 54 -0.973 -2.383 10.226 1.00 0.00 C ATOM 830 C VAL A 54 -0.074 -2.980 9.148 1.00 0.00 C ATOM 831 O VAL A 54 0.026 -2.445 8.049 1.00 0.00 O ATOM 832 CB VAL A 54 -0.283 -1.883 11.518 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.222 -2.156 11.594 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.488 -0.373 11.652 1.00 0.00 C ATOM 0 H VAL A 54 -2.949 -2.959 10.173 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.353 -1.462 9.783 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.750 -2.446 12.326 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.615 -1.769 12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.400 -3.230 11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.724 -1.663 10.761 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.003 -0.019 12.562 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.053 0.131 10.789 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.555 -0.154 11.701 1.00 0.00 H new ATOM 844 N GLU A 55 0.513 -4.127 9.451 1.00 0.00 N ATOM 845 CA GLU A 55 1.444 -4.832 8.600 1.00 0.00 C ATOM 846 C GLU A 55 0.679 -5.515 7.474 1.00 0.00 C ATOM 847 O GLU A 55 1.119 -5.493 6.321 1.00 0.00 O ATOM 848 CB GLU A 55 2.216 -5.840 9.459 1.00 0.00 C ATOM 849 CG GLU A 55 3.709 -5.902 9.107 1.00 0.00 C ATOM 850 CD GLU A 55 4.519 -4.704 9.597 1.00 0.00 C ATOM 851 OE1 GLU A 55 3.903 -3.650 9.866 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.754 -4.874 9.669 1.00 0.00 O ATOM 0 H GLU A 55 0.343 -4.608 10.334 1.00 0.00 H new ATOM 0 HA GLU A 55 2.158 -4.146 8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.106 -5.574 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.776 -6.829 9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.133 -6.811 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.813 -5.978 8.025 1.00 0.00 H new ATOM 859 N GLU A 56 -0.467 -6.124 7.820 1.00 0.00 N ATOM 860 CA GLU A 56 -1.207 -6.963 6.895 1.00 0.00 C ATOM 861 C GLU A 56 -1.426 -6.241 5.573 1.00 0.00 C ATOM 862 O GLU A 56 -1.055 -6.766 4.529 1.00 0.00 O ATOM 863 CB GLU A 56 -2.530 -7.396 7.529 1.00 0.00 C ATOM 864 CG GLU A 56 -2.345 -8.637 8.409 1.00 0.00 C ATOM 865 CD GLU A 56 -1.939 -9.863 7.595 1.00 0.00 C ATOM 866 OE1 GLU A 56 -2.506 -10.027 6.493 1.00 0.00 O ATOM 867 OE2 GLU A 56 -1.052 -10.592 8.083 1.00 0.00 O ATOM 0 H GLU A 56 -0.894 -6.043 8.743 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.625 -7.860 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.933 -6.579 8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.259 -7.608 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.585 -8.436 9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.274 -8.846 8.940 1.00 0.00 H new ATOM 874 N MET A 57 -1.979 -5.024 5.628 1.00 0.00 N ATOM 875 CA MET A 57 -2.249 -4.187 4.478 1.00 0.00 C ATOM 876 C MET A 57 -1.149 -4.316 3.417 1.00 0.00 C ATOM 877 O MET A 57 -1.372 -4.803 2.311 1.00 0.00 O ATOM 878 CB MET A 57 -2.406 -2.741 4.978 1.00 0.00 C ATOM 879 CG MET A 57 -3.653 -2.063 4.418 1.00 0.00 C ATOM 880 SD MET A 57 -3.427 -1.356 2.789 1.00 0.00 S ATOM 881 CE MET A 57 -3.897 -2.736 1.736 1.00 0.00 C ATOM 0 H MET A 57 -2.256 -4.590 6.509 1.00 0.00 H new ATOM 0 HA MET A 57 -3.169 -4.506 3.987 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.453 -2.739 6.067 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.525 -2.164 4.696 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.463 -2.791 4.378 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.966 -1.276 5.104 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.305 -2.713 0.821 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.716 -3.673 2.262 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.955 -2.659 1.486 1.00 0.00 H new ATOM 891 N LYS A 58 0.067 -3.916 3.773 1.00 0.00 N ATOM 892 CA LYS A 58 1.189 -3.923 2.856 1.00 0.00 C ATOM 893 C LYS A 58 1.628 -5.359 2.563 1.00 0.00 C ATOM 894 O LYS A 58 1.955 -5.679 1.420 1.00 0.00 O ATOM 895 CB LYS A 58 2.283 -3.029 3.459 1.00 0.00 C ATOM 896 CG LYS A 58 3.106 -2.245 2.428 1.00 0.00 C ATOM 897 CD LYS A 58 4.237 -3.071 1.803 1.00 0.00 C ATOM 898 CE LYS A 58 3.944 -3.514 0.366 1.00 0.00 C ATOM 899 NZ LYS A 58 4.174 -4.955 0.192 1.00 0.00 N ATOM 0 H LYS A 58 0.297 -3.578 4.708 1.00 0.00 H new ATOM 0 HA LYS A 58 0.926 -3.512 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.819 -2.323 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.958 -3.650 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.444 -1.891 1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.531 -1.363 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.155 -2.483 1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.415 -3.953 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.911 -3.276 0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.577 -2.957 -0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.951 -5.227 -0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.170 -5.174 0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.564 -5.485 0.846 1.00 0.00 H new ATOM 913 N LYS A 59 1.631 -6.249 3.552 1.00 0.00 N ATOM 914 CA LYS A 59 1.948 -7.650 3.308 1.00 0.00 C ATOM 915 C LYS A 59 1.014 -8.311 2.285 1.00 0.00 C ATOM 916 O LYS A 59 1.454 -9.205 1.563 1.00 0.00 O ATOM 917 CB LYS A 59 2.034 -8.407 4.634 1.00 0.00 C ATOM 918 CG LYS A 59 3.471 -8.406 5.170 1.00 0.00 C ATOM 919 CD LYS A 59 4.129 -7.015 5.268 1.00 0.00 C ATOM 920 CE LYS A 59 5.504 -7.130 5.940 1.00 0.00 C ATOM 921 NZ LYS A 59 6.494 -7.769 5.048 1.00 0.00 N ATOM 0 H LYS A 59 1.419 -6.025 4.524 1.00 0.00 H new ATOM 0 HA LYS A 59 2.931 -7.696 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.368 -7.947 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.694 -9.433 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.474 -8.863 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.084 -9.037 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.237 -6.584 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.491 -6.341 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.855 -6.138 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.413 -7.710 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.316 -8.076 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.062 -8.594 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.801 -7.087 4.325 1.00 0.00 H new ATOM 935 N GLN A 60 -0.231 -7.852 2.130 1.00 0.00 N ATOM 936 CA GLN A 60 -1.139 -8.393 1.131 1.00 0.00 C ATOM 937 C GLN A 60 -0.529 -8.185 -0.251 1.00 0.00 C ATOM 938 O GLN A 60 -0.537 -9.072 -1.100 1.00 0.00 O ATOM 939 CB GLN A 60 -2.505 -7.712 1.239 1.00 0.00 C ATOM 940 CG GLN A 60 -3.061 -7.798 2.667 1.00 0.00 C ATOM 941 CD GLN A 60 -4.440 -8.437 2.782 1.00 0.00 C ATOM 942 OE1 GLN A 60 -5.349 -7.865 3.374 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.616 -9.631 2.223 1.00 0.00 N ATOM 0 H GLN A 60 -0.630 -7.100 2.692 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.286 -9.460 1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.417 -6.667 0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.203 -8.181 0.546 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.361 -8.366 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.107 -6.792 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.843 -10.085 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.524 -10.092 2.281 1.00 0.00 H new ATOM 952 N ILE A 61 0.043 -6.999 -0.445 1.00 0.00 N ATOM 953 CA ILE A 61 0.752 -6.679 -1.675 1.00 0.00 C ATOM 954 C ILE A 61 1.943 -7.624 -1.895 1.00 0.00 C ATOM 955 O ILE A 61 2.185 -8.028 -3.028 1.00 0.00 O ATOM 956 CB ILE A 61 1.107 -5.185 -1.772 1.00 0.00 C ATOM 957 CG1 ILE A 61 -0.145 -4.331 -2.059 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.117 -4.925 -2.904 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.730 -3.746 -0.777 1.00 0.00 C ATOM 0 H ILE A 61 0.027 -6.243 0.239 1.00 0.00 H new ATOM 0 HA ILE A 61 0.074 -6.857 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 61 1.539 -4.907 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.114 -3.523 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.897 -4.943 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.348 -3.861 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.031 -5.487 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.688 -5.242 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.611 -3.150 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.012 -4.555 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.014 -3.114 -0.293 1.00 0.00 H new ATOM 971 N GLU A 62 2.682 -7.991 -0.840 1.00 0.00 N ATOM 972 CA GLU A 62 3.744 -8.993 -0.969 1.00 0.00 C ATOM 973 C GLU A 62 3.112 -10.307 -1.447 1.00 0.00 C ATOM 974 O GLU A 62 3.557 -10.905 -2.425 1.00 0.00 O ATOM 975 CB GLU A 62 4.519 -9.180 0.351 1.00 0.00 C ATOM 976 CG GLU A 62 5.021 -7.825 0.860 1.00 0.00 C ATOM 977 CD GLU A 62 5.769 -7.849 2.181 1.00 0.00 C ATOM 978 OE1 GLU A 62 5.944 -8.921 2.800 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.071 -6.732 2.659 1.00 0.00 O ATOM 0 H GLU A 62 2.565 -7.614 0.100 1.00 0.00 H new ATOM 0 HA GLU A 62 4.477 -8.653 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.874 -9.642 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.361 -9.854 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.675 -7.393 0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.166 -7.157 0.961 1.00 0.00 H new ATOM 986 N ALA A 63 2.040 -10.723 -0.764 1.00 0.00 N ATOM 987 CA ALA A 63 1.326 -11.965 -1.028 1.00 0.00 C ATOM 988 C ALA A 63 0.795 -12.063 -2.463 1.00 0.00 C ATOM 989 O ALA A 63 0.685 -13.171 -2.982 1.00 0.00 O ATOM 990 CB ALA A 63 0.204 -12.155 -0.004 1.00 0.00 C ATOM 0 H ALA A 63 1.639 -10.188 0.006 1.00 0.00 H new ATOM 0 HA ALA A 63 2.046 -12.777 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.323 -13.086 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.629 -12.194 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.494 -11.321 -0.070 1.00 0.00 H new ATOM 996 N MET A 64 0.479 -10.939 -3.122 1.00 0.00 N ATOM 997 CA MET A 64 0.150 -10.951 -4.546 1.00 0.00 C ATOM 998 C MET A 64 1.243 -11.646 -5.369 1.00 0.00 C ATOM 999 O MET A 64 0.936 -12.279 -6.378 1.00 0.00 O ATOM 1000 CB MET A 64 -0.058 -9.530 -5.085 1.00 0.00 C ATOM 1001 CG MET A 64 -1.225 -8.738 -4.481 1.00 0.00 C ATOM 1002 SD MET A 64 -2.898 -9.407 -4.675 1.00 0.00 S ATOM 1003 CE MET A 64 -3.068 -10.365 -3.152 1.00 0.00 C ATOM 0 H MET A 64 0.446 -10.016 -2.690 1.00 0.00 H new ATOM 0 HA MET A 64 -0.780 -11.510 -4.647 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.860 -8.965 -4.922 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.208 -9.591 -6.163 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.033 -8.622 -3.414 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.212 -7.739 -4.917 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.365 -11.385 -3.395 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.115 -10.381 -2.624 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.827 -9.908 -2.517 1.00 0.00 H new ATOM 1013 N GLY A 65 2.510 -11.508 -4.962 1.00 0.00 N ATOM 1014 CA GLY A 65 3.639 -12.151 -5.616 1.00 0.00 C ATOM 1015 C GLY A 65 4.865 -11.245 -5.609 1.00 0.00 C ATOM 1016 O GLY A 65 5.986 -11.719 -5.448 1.00 0.00 O ATOM 0 H GLY A 65 2.776 -10.938 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.872 -13.087 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.374 -12.402 -6.643 1.00 0.00 H new ATOM 1020 N PHE A 66 4.663 -9.941 -5.812 1.00 0.00 N ATOM 1021 CA PHE A 66 5.753 -8.987 -5.960 1.00 0.00 C ATOM 1022 C PHE A 66 6.411 -8.745 -4.600 1.00 0.00 C ATOM 1023 O PHE A 66 5.758 -8.169 -3.731 1.00 0.00 O ATOM 1024 CB PHE A 66 5.210 -7.677 -6.553 1.00 0.00 C ATOM 1025 CG PHE A 66 4.608 -7.834 -7.941 1.00 0.00 C ATOM 1026 CD1 PHE A 66 5.377 -8.395 -8.980 1.00 0.00 C ATOM 1027 CD2 PHE A 66 3.256 -7.514 -8.173 1.00 0.00 C ATOM 1028 CE1 PHE A 66 4.771 -8.734 -10.201 1.00 0.00 C ATOM 1029 CE2 PHE A 66 2.660 -7.819 -9.410 1.00 0.00 C ATOM 1030 CZ PHE A 66 3.408 -8.465 -10.409 1.00 0.00 C ATOM 0 H PHE A 66 3.736 -9.521 -5.878 1.00 0.00 H new ATOM 0 HA PHE A 66 6.507 -9.386 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.452 -7.272 -5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.018 -6.947 -6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.434 -8.565 -8.837 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.676 -7.033 -7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.354 -9.202 -10.981 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.628 -7.557 -9.592 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.935 -8.754 -11.336 1.00 0.00 H new ATOM 1040 N PRO A 67 7.674 -9.154 -4.382 1.00 0.00 N ATOM 1041 CA PRO A 67 8.334 -8.970 -3.102 1.00 0.00 C ATOM 1042 C PRO A 67 8.513 -7.471 -2.863 1.00 0.00 C ATOM 1043 O PRO A 67 9.295 -6.821 -3.549 1.00 0.00 O ATOM 1044 CB PRO A 67 9.664 -9.719 -3.210 1.00 0.00 C ATOM 1045 CG PRO A 67 9.979 -9.671 -4.704 1.00 0.00 C ATOM 1046 CD PRO A 67 8.596 -9.721 -5.357 1.00 0.00 C ATOM 0 HA PRO A 67 7.768 -9.358 -2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.444 -9.239 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.578 -10.744 -2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.518 -8.762 -4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.600 -10.513 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.582 -9.151 -6.286 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.319 -10.745 -5.607 1.00 0.00 H new ATOM 1054 N ALA A 68 7.749 -6.914 -1.925 1.00 0.00 N ATOM 1055 CA ALA A 68 7.652 -5.484 -1.691 1.00 0.00 C ATOM 1056 C ALA A 68 7.905 -5.221 -0.204 1.00 0.00 C ATOM 1057 O ALA A 68 8.224 -6.157 0.524 1.00 0.00 O ATOM 1058 CB ALA A 68 6.274 -5.056 -2.200 1.00 0.00 C ATOM 0 H ALA A 68 7.167 -7.464 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 68 8.396 -4.891 -2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.147 -3.984 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.192 -5.284 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.500 -5.594 -1.652 1.00 0.00 H new ATOM 1064 N PHE A 69 7.815 -3.969 0.260 1.00 0.00 N ATOM 1065 CA PHE A 69 8.347 -3.619 1.574 1.00 0.00 C ATOM 1066 C PHE A 69 7.692 -2.374 2.161 1.00 0.00 C ATOM 1067 O PHE A 69 7.408 -1.415 1.438 1.00 0.00 O ATOM 1068 CB PHE A 69 9.871 -3.451 1.495 1.00 0.00 C ATOM 1069 CG PHE A 69 10.556 -3.618 2.835 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.897 -4.908 3.280 1.00 0.00 C ATOM 1071 CD2 PHE A 69 10.745 -2.513 3.686 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.439 -5.093 4.564 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.269 -2.701 4.977 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.624 -3.989 5.412 1.00 0.00 C ATOM 0 H PHE A 69 7.386 -3.196 -0.248 1.00 0.00 H new ATOM 0 HA PHE A 69 8.110 -4.440 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.275 -4.181 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.102 -2.463 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.742 -5.759 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.487 -1.520 3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.713 -6.083 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.399 -1.855 5.635 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.039 -4.130 6.399 1.00 0.00 H new ATOM 1084 N VAL A 70 7.440 -2.424 3.474 1.00 0.00 N ATOM 1085 CA VAL A 70 6.769 -1.406 4.270 1.00 0.00 C ATOM 1086 C VAL A 70 7.799 -0.604 5.063 1.00 0.00 C ATOM 1087 O VAL A 70 8.693 -1.173 5.679 1.00 0.00 O ATOM 1088 CB VAL A 70 5.668 -1.998 5.162 1.00 0.00 C ATOM 1089 CG1 VAL A 70 6.160 -3.239 5.880 1.00 0.00 C ATOM 1090 CG2 VAL A 70 5.118 -0.979 6.170 1.00 0.00 C ATOM 0 H VAL A 70 7.718 -3.227 4.037 1.00 0.00 H new ATOM 0 HA VAL A 70 6.257 -0.722 3.593 1.00 0.00 H new ATOM 0 HB VAL A 70 4.846 -2.275 4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.361 -3.639 6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.457 -3.989 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.016 -2.983 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.343 -1.448 6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.925 -0.635 6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.695 -0.129 5.634 1.00 0.00 H new