USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 569 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0182 (180deg=-0.644) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.224 F(o=-1.2,f=-0.22) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -108:sc= 0.205 (180deg=0) USER MOD Single : A 15 SER OG : rot 141:sc= 0.624 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0266 K(o=-0.027,f=-0.87) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.199) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.15! C(o=-2.1!,f=-14!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.56 K(o=-1.6,f=-6.4!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 58 ASN : amide:sc= -2.42 K(o=-2.4,f=-5.6!) USER MOD Single : A 59 ASN : amide:sc= -3.06 K(o=-3.1,f=-5.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.928 8.331 -4.730 1.00 0.00 N ATOM 2 CA MET A 1 -5.742 8.183 -3.836 1.00 0.00 C ATOM 3 C MET A 1 -6.067 7.234 -2.677 1.00 0.00 C ATOM 4 O MET A 1 -7.211 7.077 -2.296 1.00 0.00 O ATOM 5 CB MET A 1 -5.448 9.596 -3.317 1.00 0.00 C ATOM 6 CG MET A 1 -6.672 10.150 -2.579 1.00 0.00 C ATOM 7 SD MET A 1 -6.193 11.616 -1.633 1.00 0.00 S ATOM 8 CE MET A 1 -7.222 11.295 -0.180 1.00 0.00 C ATOM 0 H1 MET A 1 -6.984 9.311 -5.073 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.835 7.685 -5.540 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.793 8.100 -4.201 1.00 0.00 H new ATOM 0 HA MET A 1 -4.884 7.760 -4.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.588 9.574 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.188 10.251 -4.149 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.456 10.404 -3.292 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.082 9.392 -1.912 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.081 12.093 0.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.270 11.257 -0.478 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.936 10.342 0.265 1.00 0.00 H new ATOM 20 N VAL A 2 -5.062 6.625 -2.100 1.00 0.00 N ATOM 21 CA VAL A 2 -5.298 5.710 -0.942 1.00 0.00 C ATOM 22 C VAL A 2 -5.467 6.528 0.344 1.00 0.00 C ATOM 23 O VAL A 2 -5.085 7.681 0.409 1.00 0.00 O ATOM 24 CB VAL A 2 -4.046 4.828 -0.866 1.00 0.00 C ATOM 25 CG1 VAL A 2 -4.173 3.848 0.305 1.00 0.00 C ATOM 26 CG2 VAL A 2 -3.893 4.038 -2.170 1.00 0.00 C ATOM 0 H VAL A 2 -4.086 6.722 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.202 5.113 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.172 5.462 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.281 3.223 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.279 4.405 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.050 3.217 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.003 3.412 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.770 3.409 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.797 4.731 -3.006 1.00 0.00 H new ATOM 36 N GLN A 3 -6.017 5.928 1.369 1.00 0.00 N ATOM 37 CA GLN A 3 -6.192 6.654 2.662 1.00 0.00 C ATOM 38 C GLN A 3 -5.048 6.312 3.621 1.00 0.00 C ATOM 39 O GLN A 3 -4.441 5.261 3.524 1.00 0.00 O ATOM 40 CB GLN A 3 -7.526 6.154 3.220 1.00 0.00 C ATOM 41 CG GLN A 3 -8.677 6.843 2.483 1.00 0.00 C ATOM 42 CD GLN A 3 -9.134 5.965 1.316 1.00 0.00 C ATOM 43 OE1 GLN A 3 -8.608 6.145 0.135 1.00 0.00 O flip ATOM 44 NE2 GLN A 3 -9.978 5.107 1.480 1.00 0.00 N flip ATOM 0 H GLN A 3 -6.353 4.965 1.366 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.184 7.736 2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.600 5.073 3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.587 6.363 4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.507 7.019 3.167 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.356 7.817 2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.389 4.966 2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.275 4.528 0.695 1.00 0.00 H new ATOM 53 N ARG A 4 -4.784 7.170 4.572 1.00 0.00 N ATOM 54 CA ARG A 4 -3.716 6.878 5.577 1.00 0.00 C ATOM 55 C ARG A 4 -4.147 5.721 6.483 1.00 0.00 C ATOM 56 O ARG A 4 -5.037 5.861 7.301 1.00 0.00 O ATOM 57 CB ARG A 4 -3.562 8.166 6.390 1.00 0.00 C ATOM 58 CG ARG A 4 -3.102 9.298 5.469 1.00 0.00 C ATOM 59 CD ARG A 4 -3.660 10.629 5.978 1.00 0.00 C ATOM 60 NE ARG A 4 -2.859 11.681 5.278 1.00 0.00 N ATOM 61 CZ ARG A 4 -3.308 12.914 5.147 1.00 0.00 C ATOM 62 NH1 ARG A 4 -4.456 13.287 5.663 1.00 0.00 N ATOM 63 NH2 ARG A 4 -2.592 13.785 4.491 1.00 0.00 N ATOM 0 H ARG A 4 -5.262 8.062 4.697 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.779 6.584 5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.510 8.428 6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.839 8.018 7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.013 9.336 5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.444 9.114 4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.721 10.725 5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.558 10.711 7.060 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.946 11.439 4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.024 12.617 6.180 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.779 14.247 5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.697 13.509 4.087 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.927 14.742 4.382 1.00 0.00 H new ATOM 77 N GLY A 5 -3.523 4.580 6.336 1.00 0.00 N ATOM 78 CA GLY A 5 -3.892 3.403 7.178 1.00 0.00 C ATOM 79 C GLY A 5 -4.890 2.524 6.422 1.00 0.00 C ATOM 80 O GLY A 5 -5.700 1.838 7.016 1.00 0.00 O ATOM 0 H GLY A 5 -2.772 4.413 5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.001 2.827 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.328 3.739 8.119 1.00 0.00 H new ATOM 84 N SER A 6 -4.811 2.513 5.115 1.00 0.00 N ATOM 85 CA SER A 6 -5.723 1.644 4.312 1.00 0.00 C ATOM 86 C SER A 6 -4.997 0.367 3.884 1.00 0.00 C ATOM 87 O SER A 6 -3.781 0.310 3.867 1.00 0.00 O ATOM 88 CB SER A 6 -6.094 2.484 3.089 1.00 0.00 C ATOM 89 OG SER A 6 -6.916 1.713 2.223 1.00 0.00 O ATOM 0 H SER A 6 -4.153 3.069 4.569 1.00 0.00 H new ATOM 0 HA SER A 6 -6.602 1.335 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.619 3.387 3.399 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.193 2.803 2.565 1.00 0.00 H new ATOM 0 HG SER A 6 -7.157 2.248 1.439 1.00 0.00 H new ATOM 95 N LYS A 7 -5.734 -0.648 3.511 1.00 0.00 N ATOM 96 CA LYS A 7 -5.096 -1.917 3.048 1.00 0.00 C ATOM 97 C LYS A 7 -5.204 -2.038 1.526 1.00 0.00 C ATOM 98 O LYS A 7 -6.235 -2.408 0.997 1.00 0.00 O ATOM 99 CB LYS A 7 -5.888 -3.032 3.733 1.00 0.00 C ATOM 100 CG LYS A 7 -5.344 -3.250 5.146 1.00 0.00 C ATOM 101 CD LYS A 7 -5.465 -4.729 5.517 1.00 0.00 C ATOM 102 CE LYS A 7 -6.819 -4.980 6.185 1.00 0.00 C ATOM 103 NZ LYS A 7 -7.047 -6.446 6.055 1.00 0.00 N ATOM 0 H LYS A 7 -6.754 -0.652 3.507 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.035 -1.960 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.945 -2.769 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.812 -3.954 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.302 -2.935 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.898 -2.639 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.368 -5.348 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.657 -5.013 6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.806 -4.674 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.611 -4.413 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.794 -6.620 5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.168 -6.908 5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.339 -6.835 6.974 1.00 0.00 H new ATOM 117 N VAL A 8 -4.134 -1.765 0.823 1.00 0.00 N ATOM 118 CA VAL A 8 -4.151 -1.900 -0.665 1.00 0.00 C ATOM 119 C VAL A 8 -3.273 -3.077 -1.101 1.00 0.00 C ATOM 120 O VAL A 8 -2.337 -3.450 -0.418 1.00 0.00 O ATOM 121 CB VAL A 8 -3.593 -0.575 -1.199 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.503 0.574 -0.762 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.181 -0.341 -0.648 1.00 0.00 C ATOM 0 H VAL A 8 -3.246 -1.453 1.217 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.152 -2.096 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.551 -0.619 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.107 1.516 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.505 0.416 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.546 0.610 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.792 0.602 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.217 -0.302 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.529 -1.157 -0.960 1.00 0.00 H new ATOM 133 N ARG A 9 -3.548 -3.637 -2.252 1.00 0.00 N ATOM 134 CA ARG A 9 -2.709 -4.763 -2.763 1.00 0.00 C ATOM 135 C ARG A 9 -1.431 -4.221 -3.407 1.00 0.00 C ATOM 136 O ARG A 9 -1.455 -3.230 -4.111 1.00 0.00 O ATOM 137 CB ARG A 9 -3.579 -5.466 -3.805 1.00 0.00 C ATOM 138 CG ARG A 9 -4.404 -6.563 -3.128 1.00 0.00 C ATOM 139 CD ARG A 9 -4.705 -7.672 -4.138 1.00 0.00 C ATOM 140 NE ARG A 9 -5.838 -8.441 -3.539 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.645 -9.297 -2.554 1.00 0.00 C ATOM 142 NH1 ARG A 9 -4.455 -9.480 -2.026 1.00 0.00 N ATOM 143 NH2 ARG A 9 -6.658 -9.977 -2.093 1.00 0.00 N ATOM 0 H ARG A 9 -4.319 -3.362 -2.861 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.400 -5.441 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.239 -4.746 -4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.952 -5.897 -4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.858 -6.970 -2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.334 -6.147 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.978 -7.259 -5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.835 -8.309 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.782 -8.301 -3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.655 -8.954 -2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.332 -10.148 -1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.586 -9.844 -2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.522 -10.642 -1.332 1.00 0.00 H new ATOM 157 N ILE A 10 -0.318 -4.870 -3.174 1.00 0.00 N ATOM 158 CA ILE A 10 0.968 -4.404 -3.776 1.00 0.00 C ATOM 159 C ILE A 10 1.077 -4.896 -5.223 1.00 0.00 C ATOM 160 O ILE A 10 1.119 -6.084 -5.482 1.00 0.00 O ATOM 161 CB ILE A 10 2.068 -5.029 -2.907 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.908 -4.571 -1.446 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.445 -4.605 -3.429 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.004 -3.042 -1.349 1.00 0.00 C ATOM 0 H ILE A 10 -0.245 -5.704 -2.592 1.00 0.00 H new ATOM 0 HA ILE A 10 1.044 -3.317 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 10 1.982 -6.115 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.947 -4.906 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.680 -5.030 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.222 -5.051 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.564 -4.943 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.530 -3.519 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.889 -2.735 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.976 -2.714 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.216 -2.589 -1.950 1.00 0.00 H new ATOM 176 N LEU A 11 1.179 -3.986 -6.159 1.00 0.00 N ATOM 177 CA LEU A 11 1.348 -4.389 -7.588 1.00 0.00 C ATOM 178 C LEU A 11 2.806 -4.205 -8.017 1.00 0.00 C ATOM 179 O LEU A 11 3.090 -3.853 -9.147 1.00 0.00 O ATOM 180 CB LEU A 11 0.432 -3.447 -8.378 1.00 0.00 C ATOM 181 CG LEU A 11 -1.005 -3.994 -8.414 1.00 0.00 C ATOM 182 CD1 LEU A 11 -1.026 -5.359 -9.108 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.544 -4.138 -6.986 1.00 0.00 C ATOM 0 H LEU A 11 1.152 -2.980 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 11 1.096 -5.436 -7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.439 -2.457 -7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.809 -3.332 -9.394 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.634 -3.298 -8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.047 -5.740 -9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.656 -5.254 -10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.390 -6.055 -8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.562 -4.526 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.911 -4.827 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.542 -3.164 -6.497 1.00 0.00 H new ATOM 195 N ARG A 12 3.731 -4.471 -7.131 1.00 0.00 N ATOM 196 CA ARG A 12 5.177 -4.351 -7.488 1.00 0.00 C ATOM 197 C ARG A 12 5.848 -5.734 -7.455 1.00 0.00 C ATOM 198 O ARG A 12 6.350 -6.145 -6.428 1.00 0.00 O ATOM 199 CB ARG A 12 5.774 -3.439 -6.416 1.00 0.00 C ATOM 200 CG ARG A 12 6.870 -2.570 -7.038 1.00 0.00 C ATOM 201 CD ARG A 12 7.235 -1.439 -6.073 1.00 0.00 C ATOM 202 NE ARG A 12 8.446 -1.929 -5.345 1.00 0.00 N ATOM 203 CZ ARG A 12 9.617 -2.021 -5.944 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.764 -1.731 -7.216 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.654 -2.413 -5.256 1.00 0.00 N ATOM 0 H ARG A 12 3.547 -4.767 -6.172 1.00 0.00 H new ATOM 0 HA ARG A 12 5.324 -3.951 -8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.996 -2.809 -5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.186 -4.037 -5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.750 -3.176 -7.254 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.527 -2.157 -7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.444 -0.514 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.418 -1.229 -5.383 1.00 0.00 H new ATOM 0 HE ARG A 12 8.364 -2.198 -4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.961 -1.426 -7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.681 -1.811 -7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.553 -2.644 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.566 -2.489 -5.707 1.00 0.00 H new ATOM 219 N PRO A 13 5.840 -6.418 -8.585 1.00 0.00 N ATOM 220 CA PRO A 13 6.464 -7.770 -8.662 1.00 0.00 C ATOM 221 C PRO A 13 7.911 -7.739 -8.151 1.00 0.00 C ATOM 222 O PRO A 13 8.424 -8.727 -7.657 1.00 0.00 O ATOM 223 CB PRO A 13 6.432 -8.096 -10.154 1.00 0.00 C ATOM 224 CG PRO A 13 5.315 -7.271 -10.704 1.00 0.00 C ATOM 225 CD PRO A 13 5.259 -6.015 -9.878 1.00 0.00 C ATOM 0 HA PRO A 13 5.944 -8.507 -8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.379 -7.848 -10.633 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.258 -9.159 -10.323 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.488 -7.036 -11.754 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.371 -7.813 -10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.829 -5.208 -10.338 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.236 -5.657 -9.763 1.00 0.00 H new ATOM 233 N GLU A 14 8.555 -6.602 -8.232 1.00 0.00 N ATOM 234 CA GLU A 14 9.952 -6.488 -7.715 1.00 0.00 C ATOM 235 C GLU A 14 9.950 -6.443 -6.183 1.00 0.00 C ATOM 236 O GLU A 14 10.901 -6.850 -5.543 1.00 0.00 O ATOM 237 CB GLU A 14 10.486 -5.174 -8.288 1.00 0.00 C ATOM 238 CG GLU A 14 11.974 -5.039 -7.960 1.00 0.00 C ATOM 239 CD GLU A 14 12.519 -3.752 -8.581 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.433 -3.618 -9.791 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.016 -2.923 -7.837 1.00 0.00 O ATOM 0 H GLU A 14 8.172 -5.746 -8.635 1.00 0.00 H new ATOM 0 HA GLU A 14 10.567 -7.339 -8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.337 -5.149 -9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.933 -4.332 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.119 -5.024 -6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.521 -5.900 -8.343 1.00 0.00 H new ATOM 248 N SER A 15 8.886 -5.959 -5.596 1.00 0.00 N ATOM 249 CA SER A 15 8.812 -5.893 -4.104 1.00 0.00 C ATOM 250 C SER A 15 8.613 -7.295 -3.522 1.00 0.00 C ATOM 251 O SER A 15 7.837 -8.083 -4.028 1.00 0.00 O ATOM 252 CB SER A 15 7.601 -5.012 -3.799 1.00 0.00 C ATOM 253 OG SER A 15 7.527 -4.781 -2.398 1.00 0.00 O ATOM 0 H SER A 15 8.064 -5.606 -6.085 1.00 0.00 H new ATOM 0 HA SER A 15 9.726 -5.492 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.683 -4.064 -4.331 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.688 -5.495 -4.148 1.00 0.00 H new ATOM 0 HG SER A 15 7.245 -3.857 -2.233 1.00 0.00 H new ATOM 259 N TYR A 16 9.276 -7.591 -2.432 1.00 0.00 N ATOM 260 CA TYR A 16 9.095 -8.924 -1.776 1.00 0.00 C ATOM 261 C TYR A 16 7.633 -9.114 -1.354 1.00 0.00 C ATOM 262 O TYR A 16 7.163 -10.228 -1.211 1.00 0.00 O ATOM 263 CB TYR A 16 10.008 -8.897 -0.547 1.00 0.00 C ATOM 264 CG TYR A 16 9.968 -10.240 0.143 1.00 0.00 C ATOM 265 CD1 TYR A 16 10.868 -11.246 -0.230 1.00 0.00 C ATOM 266 CD2 TYR A 16 9.033 -10.478 1.157 1.00 0.00 C ATOM 267 CE1 TYR A 16 10.830 -12.490 0.411 1.00 0.00 C ATOM 268 CE2 TYR A 16 8.995 -11.722 1.797 1.00 0.00 C ATOM 269 CZ TYR A 16 9.894 -12.728 1.424 1.00 0.00 C ATOM 270 OH TYR A 16 9.857 -13.955 2.056 1.00 0.00 O ATOM 0 H TYR A 16 9.936 -6.967 -1.967 1.00 0.00 H new ATOM 0 HA TYR A 16 9.343 -9.747 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.029 -8.660 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.687 -8.114 0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 16 11.591 -11.062 -1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.340 -9.701 1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.523 -13.267 0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.272 -11.906 2.578 1.00 0.00 H new ATOM 0 HH TYR A 16 9.150 -13.952 2.734 1.00 0.00 H new ATOM 280 N TRP A 17 6.935 -8.038 -1.096 1.00 0.00 N ATOM 281 CA TRP A 17 5.525 -8.151 -0.614 1.00 0.00 C ATOM 282 C TRP A 17 4.551 -8.012 -1.788 1.00 0.00 C ATOM 283 O TRP A 17 3.472 -7.468 -1.646 1.00 0.00 O ATOM 284 CB TRP A 17 5.345 -6.994 0.370 1.00 0.00 C ATOM 285 CG TRP A 17 6.279 -7.168 1.526 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.152 -8.103 2.494 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.476 -6.403 1.849 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.195 -7.961 3.392 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.038 -6.927 3.037 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.122 -5.317 1.233 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.201 -6.392 3.594 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.292 -4.775 1.790 1.00 0.00 C ATOM 293 CH2 TRP A 17 9.830 -5.312 2.968 1.00 0.00 C ATOM 0 H TRP A 17 7.281 -7.084 -1.198 1.00 0.00 H new ATOM 0 HA TRP A 17 5.326 -9.116 -0.148 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.541 -6.045 -0.129 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.315 -6.961 0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.365 -8.840 2.556 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.325 -8.548 4.216 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.716 -4.896 0.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.612 -6.809 4.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 9.780 -3.940 1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.730 -4.891 3.392 1.00 0.00 H new ATOM 304 N PHE A 18 4.901 -8.555 -2.927 1.00 0.00 N ATOM 305 CA PHE A 18 3.971 -8.519 -4.097 1.00 0.00 C ATOM 306 C PHE A 18 2.784 -9.456 -3.856 1.00 0.00 C ATOM 307 O PHE A 18 2.855 -10.370 -3.057 1.00 0.00 O ATOM 308 CB PHE A 18 4.802 -9.002 -5.287 1.00 0.00 C ATOM 309 CG PHE A 18 3.978 -8.911 -6.549 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.530 -7.665 -7.005 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.662 -10.072 -7.263 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.766 -7.581 -8.175 1.00 0.00 C ATOM 313 CE2 PHE A 18 2.897 -9.988 -8.434 1.00 0.00 C ATOM 314 CZ PHE A 18 2.449 -8.743 -8.889 1.00 0.00 C ATOM 0 H PHE A 18 5.792 -9.022 -3.097 1.00 0.00 H new ATOM 0 HA PHE A 18 3.563 -7.523 -4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.703 -8.396 -5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.125 -10.030 -5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.774 -6.769 -6.454 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.008 -11.033 -6.912 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.421 -6.620 -8.527 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.653 -10.884 -8.985 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.859 -8.678 -9.791 1.00 0.00 H new ATOM 324 N GLN A 19 1.694 -9.244 -4.557 1.00 0.00 N ATOM 325 CA GLN A 19 0.491 -10.128 -4.399 1.00 0.00 C ATOM 326 C GLN A 19 0.080 -10.227 -2.925 1.00 0.00 C ATOM 327 O GLN A 19 -0.485 -11.216 -2.496 1.00 0.00 O ATOM 328 CB GLN A 19 0.919 -11.498 -4.931 1.00 0.00 C ATOM 329 CG GLN A 19 0.669 -11.561 -6.439 1.00 0.00 C ATOM 330 CD GLN A 19 1.399 -12.770 -7.028 1.00 0.00 C ATOM 331 OE1 GLN A 19 2.547 -13.013 -6.713 1.00 0.00 O ATOM 332 NE2 GLN A 19 0.778 -13.542 -7.877 1.00 0.00 N ATOM 0 H GLN A 19 1.585 -8.491 -5.237 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.371 -9.735 -4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.975 -11.669 -4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.361 -12.287 -4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.400 -11.636 -6.638 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.018 -10.645 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.186 -13.338 -8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.256 -14.350 -8.276 1.00 0.00 H new ATOM 341 N ASP A 20 0.331 -9.196 -2.159 1.00 0.00 N ATOM 342 CA ASP A 20 -0.072 -9.206 -0.722 1.00 0.00 C ATOM 343 C ASP A 20 -0.857 -7.936 -0.384 1.00 0.00 C ATOM 344 O ASP A 20 -1.152 -7.131 -1.248 1.00 0.00 O ATOM 345 CB ASP A 20 1.242 -9.248 0.059 1.00 0.00 C ATOM 346 CG ASP A 20 1.607 -10.700 0.370 1.00 0.00 C ATOM 347 OD1 ASP A 20 0.922 -11.301 1.181 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.564 -11.187 -0.208 1.00 0.00 O ATOM 0 H ASP A 20 0.800 -8.345 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.716 -10.051 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.037 -8.779 -0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.145 -8.680 0.985 1.00 0.00 H new ATOM 353 N VAL A 21 -1.174 -7.741 0.871 1.00 0.00 N ATOM 354 CA VAL A 21 -1.912 -6.508 1.281 1.00 0.00 C ATOM 355 C VAL A 21 -1.156 -5.794 2.407 1.00 0.00 C ATOM 356 O VAL A 21 -1.103 -6.267 3.526 1.00 0.00 O ATOM 357 CB VAL A 21 -3.277 -7.003 1.773 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.131 -5.810 2.214 1.00 0.00 C ATOM 359 CG2 VAL A 21 -3.994 -7.744 0.641 1.00 0.00 C ATOM 0 H VAL A 21 -0.953 -8.384 1.631 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.013 -5.794 0.464 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.129 -7.677 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.100 -6.166 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.626 -5.280 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.275 -5.134 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.964 -8.095 0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.137 -7.069 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.392 -8.596 0.326 1.00 0.00 H new ATOM 369 N GLY A 22 -0.590 -4.649 2.118 1.00 0.00 N ATOM 370 CA GLY A 22 0.143 -3.884 3.170 1.00 0.00 C ATOM 371 C GLY A 22 -0.714 -2.707 3.637 1.00 0.00 C ATOM 372 O GLY A 22 -1.621 -2.278 2.950 1.00 0.00 O ATOM 0 H GLY A 22 -0.605 -4.211 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.375 -4.535 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.093 -3.522 2.776 1.00 0.00 H new ATOM 376 N THR A 23 -0.412 -2.164 4.790 1.00 0.00 N ATOM 377 CA THR A 23 -1.182 -0.990 5.297 1.00 0.00 C ATOM 378 C THR A 23 -0.411 0.305 5.029 1.00 0.00 C ATOM 379 O THR A 23 0.788 0.372 5.221 1.00 0.00 O ATOM 380 CB THR A 23 -1.325 -1.229 6.801 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.832 -2.537 7.025 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.285 -0.198 7.395 1.00 0.00 C ATOM 0 H THR A 23 0.337 -2.485 5.403 1.00 0.00 H new ATOM 0 HA THR A 23 -2.150 -0.889 4.807 1.00 0.00 H new ATOM 0 HB THR A 23 -0.350 -1.130 7.279 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.923 -2.692 7.988 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.386 -0.370 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.894 0.805 7.223 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.261 -0.293 6.919 1.00 0.00 H new ATOM 390 N VAL A 24 -1.097 1.338 4.610 1.00 0.00 N ATOM 391 CA VAL A 24 -0.415 2.643 4.353 1.00 0.00 C ATOM 392 C VAL A 24 -0.189 3.384 5.675 1.00 0.00 C ATOM 393 O VAL A 24 -1.114 3.617 6.431 1.00 0.00 O ATOM 394 CB VAL A 24 -1.374 3.426 3.449 1.00 0.00 C ATOM 395 CG1 VAL A 24 -0.765 4.789 3.109 1.00 0.00 C ATOM 396 CG2 VAL A 24 -1.614 2.645 2.154 1.00 0.00 C ATOM 0 H VAL A 24 -2.102 1.334 4.434 1.00 0.00 H new ATOM 0 HA VAL A 24 0.562 2.516 3.887 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.320 3.569 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.449 5.343 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.595 5.351 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.183 4.645 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.296 3.204 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.666 2.500 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.051 1.675 2.390 1.00 0.00 H new ATOM 406 N ALA A 25 1.029 3.786 5.937 1.00 0.00 N ATOM 407 CA ALA A 25 1.318 4.551 7.187 1.00 0.00 C ATOM 408 C ALA A 25 0.979 6.032 6.991 1.00 0.00 C ATOM 409 O ALA A 25 0.235 6.613 7.758 1.00 0.00 O ATOM 410 CB ALA A 25 2.818 4.371 7.424 1.00 0.00 C ATOM 0 H ALA A 25 1.837 3.617 5.338 1.00 0.00 H new ATOM 0 HA ALA A 25 0.727 4.199 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.110 4.905 8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.043 3.311 7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.371 4.768 6.573 1.00 0.00 H new ATOM 416 N SER A 26 1.495 6.633 5.949 1.00 0.00 N ATOM 417 CA SER A 26 1.180 8.066 5.671 1.00 0.00 C ATOM 418 C SER A 26 1.643 8.446 4.262 1.00 0.00 C ATOM 419 O SER A 26 2.412 7.736 3.641 1.00 0.00 O ATOM 420 CB SER A 26 1.959 8.854 6.722 1.00 0.00 C ATOM 421 OG SER A 26 3.344 8.564 6.595 1.00 0.00 O ATOM 0 H SER A 26 2.123 6.191 5.277 1.00 0.00 H new ATOM 0 HA SER A 26 0.110 8.270 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.786 9.923 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.611 8.592 7.721 1.00 0.00 H new ATOM 0 HG SER A 26 3.847 9.070 7.267 1.00 0.00 H new ATOM 427 N VAL A 27 1.214 9.583 3.775 1.00 0.00 N ATOM 428 CA VAL A 27 1.663 10.044 2.425 1.00 0.00 C ATOM 429 C VAL A 27 2.738 11.126 2.574 1.00 0.00 C ATOM 430 O VAL A 27 2.502 12.172 3.147 1.00 0.00 O ATOM 431 CB VAL A 27 0.407 10.615 1.758 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.750 11.114 0.351 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.662 9.524 1.657 1.00 0.00 C ATOM 0 H VAL A 27 0.571 10.213 4.255 1.00 0.00 H new ATOM 0 HA VAL A 27 2.100 9.239 1.835 1.00 0.00 H new ATOM 0 HB VAL A 27 0.030 11.444 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.146 11.519 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.510 11.893 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.131 10.285 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.554 9.932 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.281 8.695 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.913 9.167 2.656 1.00 0.00 H new ATOM 443 N ASP A 28 3.914 10.879 2.055 1.00 0.00 N ATOM 444 CA ASP A 28 5.010 11.889 2.154 1.00 0.00 C ATOM 445 C ASP A 28 5.494 12.283 0.756 1.00 0.00 C ATOM 446 O ASP A 28 5.547 11.466 -0.144 1.00 0.00 O ATOM 447 CB ASP A 28 6.125 11.189 2.931 1.00 0.00 C ATOM 448 CG ASP A 28 6.802 12.189 3.870 1.00 0.00 C ATOM 449 OD1 ASP A 28 7.190 13.245 3.398 1.00 0.00 O ATOM 450 OD2 ASP A 28 6.920 11.881 5.045 1.00 0.00 O ATOM 0 H ASP A 28 4.162 10.019 1.566 1.00 0.00 H new ATOM 0 HA ASP A 28 4.684 12.805 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.716 10.357 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.857 10.771 2.240 1.00 0.00 H new ATOM 455 N GLN A 29 5.884 13.521 0.582 1.00 0.00 N ATOM 456 CA GLN A 29 6.410 13.967 -0.742 1.00 0.00 C ATOM 457 C GLN A 29 7.515 15.010 -0.548 1.00 0.00 C ATOM 458 O GLN A 29 7.292 16.197 -0.697 1.00 0.00 O ATOM 459 CB GLN A 29 5.208 14.584 -1.460 1.00 0.00 C ATOM 460 CG GLN A 29 5.511 14.707 -2.954 1.00 0.00 C ATOM 461 CD GLN A 29 4.278 15.241 -3.683 1.00 0.00 C ATOM 462 OE1 GLN A 29 3.327 14.518 -3.903 1.00 0.00 O ATOM 463 NE2 GLN A 29 4.252 16.487 -4.071 1.00 0.00 N ATOM 0 H GLN A 29 5.860 14.243 1.302 1.00 0.00 H new ATOM 0 HA GLN A 29 6.846 13.146 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.324 13.965 -1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.986 15.566 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.357 15.376 -3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.794 13.736 -3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.050 17.095 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.434 16.852 -4.558 1.00 0.00 H new ATOM 472 N SER A 30 8.705 14.571 -0.229 1.00 0.00 N ATOM 473 CA SER A 30 9.836 15.527 -0.038 1.00 0.00 C ATOM 474 C SER A 30 11.079 15.033 -0.782 1.00 0.00 C ATOM 475 O SER A 30 12.197 15.339 -0.409 1.00 0.00 O ATOM 476 CB SER A 30 10.085 15.547 1.469 1.00 0.00 C ATOM 477 OG SER A 30 9.453 16.687 2.035 1.00 0.00 O ATOM 0 H SER A 30 8.943 13.589 -0.092 1.00 0.00 H new ATOM 0 HA SER A 30 9.609 16.519 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.696 14.637 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.156 15.572 1.672 1.00 0.00 H new ATOM 0 HG SER A 30 9.610 16.701 3.002 1.00 0.00 H new ATOM 483 N GLY A 31 10.889 14.307 -1.854 1.00 0.00 N ATOM 484 CA GLY A 31 12.054 13.828 -2.656 1.00 0.00 C ATOM 485 C GLY A 31 12.093 12.299 -2.639 1.00 0.00 C ATOM 486 O GLY A 31 13.150 11.699 -2.657 1.00 0.00 O ATOM 0 H GLY A 31 9.975 14.025 -2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.976 14.189 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.981 14.230 -2.247 1.00 0.00 H new ATOM 490 N ILE A 32 10.946 11.668 -2.658 1.00 0.00 N ATOM 491 CA ILE A 32 10.907 10.175 -2.704 1.00 0.00 C ATOM 492 C ILE A 32 10.160 9.702 -3.957 1.00 0.00 C ATOM 493 O ILE A 32 9.177 10.292 -4.362 1.00 0.00 O ATOM 494 CB ILE A 32 10.163 9.749 -1.433 1.00 0.00 C ATOM 495 CG1 ILE A 32 8.762 10.374 -1.411 1.00 0.00 C ATOM 496 CG2 ILE A 32 10.945 10.218 -0.205 1.00 0.00 C ATOM 497 CD1 ILE A 32 7.973 9.817 -0.225 1.00 0.00 C ATOM 0 H ILE A 32 10.033 12.124 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 32 11.905 9.739 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 32 10.072 8.663 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.837 11.459 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.240 10.156 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.417 9.916 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.938 9.769 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.038 11.304 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.978 10.261 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.886 8.735 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.492 10.058 0.703 1.00 0.00 H new ATOM 509 N LYS A 33 10.657 8.676 -4.600 1.00 0.00 N ATOM 510 CA LYS A 33 10.017 8.198 -5.866 1.00 0.00 C ATOM 511 C LYS A 33 8.636 7.600 -5.572 1.00 0.00 C ATOM 512 O LYS A 33 7.755 7.615 -6.411 1.00 0.00 O ATOM 513 CB LYS A 33 10.965 7.129 -6.426 1.00 0.00 C ATOM 514 CG LYS A 33 11.136 5.992 -5.410 1.00 0.00 C ATOM 515 CD LYS A 33 12.588 5.504 -5.423 1.00 0.00 C ATOM 516 CE LYS A 33 12.993 5.068 -4.012 1.00 0.00 C ATOM 517 NZ LYS A 33 13.324 6.333 -3.300 1.00 0.00 N ATOM 0 H LYS A 33 11.478 8.148 -4.304 1.00 0.00 H new ATOM 0 HA LYS A 33 9.864 9.010 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.569 6.735 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.934 7.574 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.868 6.339 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.463 5.170 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.697 4.671 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.247 6.299 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.182 4.536 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.849 4.393 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.319 6.311 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.175 7.140 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.710 6.433 -2.466 1.00 0.00 H new ATOM 531 N TYR A 34 8.442 7.083 -4.384 1.00 0.00 N ATOM 532 CA TYR A 34 7.118 6.492 -4.025 1.00 0.00 C ATOM 533 C TYR A 34 6.431 7.341 -2.943 1.00 0.00 C ATOM 534 O TYR A 34 6.704 7.173 -1.771 1.00 0.00 O ATOM 535 CB TYR A 34 7.439 5.096 -3.490 1.00 0.00 C ATOM 536 CG TYR A 34 7.854 4.192 -4.629 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.046 4.075 -5.768 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.050 3.468 -4.544 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.435 3.236 -6.819 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.438 2.629 -5.595 1.00 0.00 C ATOM 541 CZ TYR A 34 8.630 2.514 -6.733 1.00 0.00 C ATOM 542 OH TYR A 34 9.012 1.686 -7.769 1.00 0.00 O ATOM 0 H TYR A 34 9.146 7.045 -3.647 1.00 0.00 H new ATOM 0 HA TYR A 34 6.438 6.455 -4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.238 5.155 -2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.567 4.681 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.123 4.632 -5.835 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.673 3.557 -3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.812 3.146 -7.697 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.360 2.071 -5.528 1.00 0.00 H new ATOM 0 HH TYR A 34 9.867 1.260 -7.549 1.00 0.00 H new ATOM 552 N PRO A 35 5.556 8.235 -3.364 1.00 0.00 N ATOM 553 CA PRO A 35 4.836 9.112 -2.396 1.00 0.00 C ATOM 554 C PRO A 35 4.146 8.281 -1.304 1.00 0.00 C ATOM 555 O PRO A 35 4.014 8.720 -0.177 1.00 0.00 O ATOM 556 CB PRO A 35 3.796 9.823 -3.261 1.00 0.00 C ATOM 557 CG PRO A 35 4.361 9.793 -4.643 1.00 0.00 C ATOM 558 CD PRO A 35 5.159 8.523 -4.754 1.00 0.00 C ATOM 0 HA PRO A 35 5.504 9.798 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.832 9.316 -3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.634 10.846 -2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.565 9.817 -5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.992 10.664 -4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.565 7.713 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.028 8.651 -5.400 1.00 0.00 H new ATOM 566 N VAL A 36 3.581 7.158 -1.671 1.00 0.00 N ATOM 567 CA VAL A 36 2.751 6.382 -0.697 1.00 0.00 C ATOM 568 C VAL A 36 3.635 5.409 0.090 1.00 0.00 C ATOM 569 O VAL A 36 4.335 4.593 -0.480 1.00 0.00 O ATOM 570 CB VAL A 36 1.733 5.619 -1.554 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.812 4.795 -0.650 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.890 6.614 -2.357 1.00 0.00 C ATOM 0 H VAL A 36 3.658 6.745 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 36 2.260 7.026 0.033 1.00 0.00 H new ATOM 0 HB VAL A 36 2.265 4.955 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.090 4.254 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.406 4.084 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.283 5.460 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.167 6.071 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.362 7.279 -1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.540 7.202 -3.005 1.00 0.00 H new ATOM 582 N ILE A 37 3.570 5.461 1.397 1.00 0.00 N ATOM 583 CA ILE A 37 4.363 4.509 2.232 1.00 0.00 C ATOM 584 C ILE A 37 3.453 3.395 2.760 1.00 0.00 C ATOM 585 O ILE A 37 2.293 3.616 3.055 1.00 0.00 O ATOM 586 CB ILE A 37 4.913 5.356 3.388 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.796 6.480 2.829 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.748 4.474 4.322 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.593 7.749 3.659 1.00 0.00 C ATOM 0 H ILE A 37 3.000 6.124 1.923 1.00 0.00 H new ATOM 0 HA ILE A 37 5.163 4.027 1.670 1.00 0.00 H new ATOM 0 HB ILE A 37 4.080 5.788 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.844 6.180 2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.544 6.671 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.137 5.078 5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.123 3.676 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.578 4.039 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.220 8.547 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.547 8.051 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.867 7.553 4.696 1.00 0.00 H new ATOM 601 N VAL A 38 3.985 2.208 2.918 1.00 0.00 N ATOM 602 CA VAL A 38 3.170 1.082 3.469 1.00 0.00 C ATOM 603 C VAL A 38 3.993 0.291 4.491 1.00 0.00 C ATOM 604 O VAL A 38 5.205 0.389 4.533 1.00 0.00 O ATOM 605 CB VAL A 38 2.823 0.208 2.257 1.00 0.00 C ATOM 606 CG1 VAL A 38 1.976 -0.985 2.705 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.029 1.034 1.240 1.00 0.00 C ATOM 0 H VAL A 38 4.950 1.970 2.689 1.00 0.00 H new ATOM 0 HA VAL A 38 2.274 1.430 3.983 1.00 0.00 H new ATOM 0 HB VAL A 38 3.745 -0.151 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.732 -1.603 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.536 -1.578 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.056 -0.625 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.783 0.412 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.110 1.394 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.629 1.884 0.914 1.00 0.00 H new ATOM 617 N ARG A 39 3.342 -0.523 5.284 1.00 0.00 N ATOM 618 CA ARG A 39 4.081 -1.363 6.273 1.00 0.00 C ATOM 619 C ARG A 39 3.768 -2.845 6.046 1.00 0.00 C ATOM 620 O ARG A 39 2.740 -3.193 5.496 1.00 0.00 O ATOM 621 CB ARG A 39 3.566 -0.910 7.639 1.00 0.00 C ATOM 622 CG ARG A 39 4.320 -1.656 8.743 1.00 0.00 C ATOM 623 CD ARG A 39 4.487 -0.739 9.958 1.00 0.00 C ATOM 624 NE ARG A 39 3.108 -0.566 10.509 1.00 0.00 N ATOM 625 CZ ARG A 39 2.908 -0.190 11.757 1.00 0.00 C ATOM 626 NH1 ARG A 39 3.910 0.092 12.559 1.00 0.00 N ATOM 627 NH2 ARG A 39 1.686 -0.095 12.205 1.00 0.00 N ATOM 0 H ARG A 39 2.329 -0.641 5.288 1.00 0.00 H new ATOM 0 HA ARG A 39 5.162 -1.250 6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.704 0.165 7.753 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.497 -1.105 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.775 -2.556 9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.296 -1.976 8.379 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.154 -1.182 10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.920 0.219 9.672 1.00 0.00 H new ATOM 0 HE ARG A 39 2.304 -0.743 9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.870 0.022 12.220 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.728 0.381 13.520 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.900 -0.310 11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.517 0.195 13.168 1.00 0.00 H new ATOM 641 N PHE A 40 4.638 -3.718 6.486 1.00 0.00 N ATOM 642 CA PHE A 40 4.387 -5.181 6.324 1.00 0.00 C ATOM 643 C PHE A 40 4.589 -5.904 7.660 1.00 0.00 C ATOM 644 O PHE A 40 5.373 -5.482 8.489 1.00 0.00 O ATOM 645 CB PHE A 40 5.422 -5.650 5.301 1.00 0.00 C ATOM 646 CG PHE A 40 5.069 -5.104 3.940 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.885 -5.507 3.309 1.00 0.00 C ATOM 648 CD2 PHE A 40 5.923 -4.193 3.307 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.557 -5.000 2.046 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.595 -3.687 2.044 1.00 0.00 C ATOM 651 CZ PHE A 40 4.412 -4.090 1.413 1.00 0.00 C ATOM 0 H PHE A 40 5.514 -3.479 6.952 1.00 0.00 H new ATOM 0 HA PHE A 40 3.368 -5.391 5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.416 -5.312 5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.451 -6.739 5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.225 -6.209 3.797 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.835 -3.881 3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.644 -5.311 1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.255 -2.985 1.556 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.159 -3.699 0.438 1.00 0.00 H new ATOM 661 N GLU A 41 3.961 -7.040 7.826 1.00 0.00 N ATOM 662 CA GLU A 41 4.194 -7.858 9.054 1.00 0.00 C ATOM 663 C GLU A 41 5.287 -8.899 8.796 1.00 0.00 C ATOM 664 O GLU A 41 6.023 -9.272 9.689 1.00 0.00 O ATOM 665 CB GLU A 41 2.856 -8.542 9.334 1.00 0.00 C ATOM 666 CG GLU A 41 1.870 -7.523 9.907 1.00 0.00 C ATOM 667 CD GLU A 41 1.219 -6.743 8.763 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.656 -7.377 7.886 1.00 0.00 O ATOM 669 OE2 GLU A 41 1.293 -5.526 8.785 1.00 0.00 O ATOM 0 H GLU A 41 3.296 -7.437 7.163 1.00 0.00 H new ATOM 0 HA GLU A 41 4.526 -7.252 9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.457 -8.973 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.996 -9.363 10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.106 -8.031 10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.388 -6.839 10.579 1.00 0.00 H new ATOM 676 N LYS A 42 5.420 -9.337 7.569 1.00 0.00 N ATOM 677 CA LYS A 42 6.495 -10.318 7.231 1.00 0.00 C ATOM 678 C LYS A 42 7.791 -9.584 6.882 1.00 0.00 C ATOM 679 O LYS A 42 7.792 -8.391 6.642 1.00 0.00 O ATOM 680 CB LYS A 42 5.966 -11.080 6.016 1.00 0.00 C ATOM 681 CG LYS A 42 6.685 -12.425 5.903 1.00 0.00 C ATOM 682 CD LYS A 42 5.850 -13.382 5.050 1.00 0.00 C ATOM 683 CE LYS A 42 6.049 -14.816 5.547 1.00 0.00 C ATOM 684 NZ LYS A 42 5.103 -15.636 4.740 1.00 0.00 N ATOM 0 H LYS A 42 4.829 -9.057 6.786 1.00 0.00 H new ATOM 0 HA LYS A 42 6.723 -10.984 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.892 -11.237 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.123 -10.495 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.669 -12.286 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.843 -12.849 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.796 -13.110 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.145 -13.304 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.078 -15.145 5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.834 -14.898 6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.180 -16.634 5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.131 -15.304 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.337 -15.543 3.731 1.00 0.00 H new ATOM 698 N VAL A 43 8.880 -10.304 6.780 1.00 0.00 N ATOM 699 CA VAL A 43 10.168 -9.670 6.361 1.00 0.00 C ATOM 700 C VAL A 43 10.544 -10.120 4.945 1.00 0.00 C ATOM 701 O VAL A 43 9.749 -10.719 4.245 1.00 0.00 O ATOM 702 CB VAL A 43 11.207 -10.153 7.380 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.812 -9.672 8.777 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.275 -11.685 7.373 1.00 0.00 C ATOM 0 H VAL A 43 8.933 -11.305 6.969 1.00 0.00 H new ATOM 0 HA VAL A 43 10.103 -8.582 6.339 1.00 0.00 H new ATOM 0 HB VAL A 43 12.183 -9.748 7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.550 -10.015 9.502 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.771 -8.583 8.789 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.833 -10.075 9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.015 -12.020 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.299 -12.094 7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.559 -12.032 6.380 1.00 0.00 H new ATOM 714 N ASN A 44 11.763 -9.872 4.540 1.00 0.00 N ATOM 715 CA ASN A 44 12.216 -10.324 3.190 1.00 0.00 C ATOM 716 C ASN A 44 13.696 -10.721 3.232 1.00 0.00 C ATOM 717 O ASN A 44 14.248 -10.975 4.286 1.00 0.00 O ATOM 718 CB ASN A 44 12.002 -9.117 2.267 1.00 0.00 C ATOM 719 CG ASN A 44 12.804 -7.910 2.775 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.344 -7.934 3.863 1.00 0.00 O ATOM 721 ND2 ASN A 44 12.901 -6.848 2.023 1.00 0.00 N ATOM 0 H ASN A 44 12.466 -9.375 5.087 1.00 0.00 H new ATOM 0 HA ASN A 44 11.665 -11.198 2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.311 -9.367 1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.942 -8.866 2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.430 -6.039 2.349 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.448 -6.827 1.109 1.00 0.00 H new ATOM 728 N TYR A 45 14.314 -10.855 2.085 1.00 0.00 N ATOM 729 CA TYR A 45 15.733 -11.327 2.044 1.00 0.00 C ATOM 730 C TYR A 45 16.639 -10.352 2.799 1.00 0.00 C ATOM 731 O TYR A 45 17.675 -10.727 3.315 1.00 0.00 O ATOM 732 CB TYR A 45 16.105 -11.363 0.559 1.00 0.00 C ATOM 733 CG TYR A 45 15.223 -12.357 -0.158 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.219 -13.700 0.236 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.409 -11.935 -1.217 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.402 -14.622 -0.429 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.593 -12.857 -1.881 1.00 0.00 C ATOM 738 CZ TYR A 45 13.588 -14.200 -1.487 1.00 0.00 C ATOM 739 OH TYR A 45 12.783 -15.109 -2.142 1.00 0.00 O ATOM 0 H TYR A 45 13.897 -10.658 1.175 1.00 0.00 H new ATOM 0 HA TYR A 45 15.852 -12.303 2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 45 15.987 -10.373 0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.153 -11.640 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.846 -14.025 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.411 -10.899 -1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.400 -15.659 -0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.966 -12.532 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 45 12.282 -14.652 -2.850 1.00 0.00 H new ATOM 749 N SER A 46 16.270 -9.096 2.839 1.00 0.00 N ATOM 750 CA SER A 46 17.123 -8.081 3.528 1.00 0.00 C ATOM 751 C SER A 46 16.759 -8.005 5.014 1.00 0.00 C ATOM 752 O SER A 46 17.623 -7.943 5.869 1.00 0.00 O ATOM 753 CB SER A 46 16.804 -6.760 2.830 1.00 0.00 C ATOM 754 OG SER A 46 17.693 -6.582 1.735 1.00 0.00 O ATOM 0 H SER A 46 15.413 -8.730 2.423 1.00 0.00 H new ATOM 0 HA SER A 46 18.184 -8.326 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.772 -6.760 2.479 1.00 0.00 H new ATOM 0 HB3 SER A 46 16.902 -5.932 3.532 1.00 0.00 H new ATOM 0 HG SER A 46 17.490 -5.736 1.283 1.00 0.00 H new ATOM 760 N GLY A 47 15.487 -8.002 5.322 1.00 0.00 N ATOM 761 CA GLY A 47 15.057 -7.921 6.750 1.00 0.00 C ATOM 762 C GLY A 47 14.418 -6.556 7.014 1.00 0.00 C ATOM 763 O GLY A 47 14.846 -5.819 7.882 1.00 0.00 O ATOM 0 H GLY A 47 14.726 -8.052 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.346 -8.716 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.914 -8.067 7.408 1.00 0.00 H new ATOM 767 N ILE A 55 13.399 -6.216 6.265 1.00 0.00 N ATOM 768 CA ILE A 55 12.728 -4.894 6.460 1.00 0.00 C ATOM 769 C ILE A 55 11.237 -5.104 6.746 1.00 0.00 C ATOM 770 O ILE A 55 10.692 -6.163 6.499 1.00 0.00 O ATOM 771 CB ILE A 55 12.928 -4.146 5.136 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.427 -3.969 4.867 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.263 -2.768 5.214 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.690 -4.062 3.363 1.00 0.00 C ATOM 0 H ILE A 55 13.002 -6.797 5.526 1.00 0.00 H new ATOM 0 HA ILE A 55 13.139 -4.337 7.302 1.00 0.00 H new ATOM 0 HB ILE A 55 12.476 -4.722 4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.764 -3.005 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.995 -4.735 5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.408 -2.240 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.196 -2.889 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.711 -2.193 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.756 -3.936 3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.368 -5.037 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.134 -3.279 2.847 1.00 0.00 H new ATOM 786 N ASN A 56 10.577 -4.096 7.258 1.00 0.00 N ATOM 787 CA ASN A 56 9.118 -4.223 7.556 1.00 0.00 C ATOM 788 C ASN A 56 8.330 -3.118 6.844 1.00 0.00 C ATOM 789 O ASN A 56 7.255 -3.350 6.323 1.00 0.00 O ATOM 790 CB ASN A 56 9.003 -4.079 9.079 1.00 0.00 C ATOM 791 CG ASN A 56 9.573 -2.728 9.525 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.702 -2.401 9.218 1.00 0.00 O ATOM 793 ND2 ASN A 56 8.834 -1.928 10.244 1.00 0.00 N ATOM 0 H ASN A 56 10.986 -3.189 7.483 1.00 0.00 H new ATOM 0 HA ASN A 56 8.710 -5.172 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.959 -4.160 9.382 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.541 -4.890 9.570 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.204 -1.028 10.548 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.886 -2.203 10.501 1.00 0.00 H new ATOM 800 N THR A 57 8.863 -1.922 6.808 1.00 0.00 N ATOM 801 CA THR A 57 8.157 -0.801 6.117 1.00 0.00 C ATOM 802 C THR A 57 8.849 -0.477 4.790 1.00 0.00 C ATOM 803 O THR A 57 10.034 -0.699 4.629 1.00 0.00 O ATOM 804 CB THR A 57 8.259 0.384 7.078 1.00 0.00 C ATOM 805 OG1 THR A 57 9.566 0.433 7.632 1.00 0.00 O ATOM 806 CG2 THR A 57 7.232 0.225 8.200 1.00 0.00 C ATOM 0 H THR A 57 9.759 -1.674 7.228 1.00 0.00 H new ATOM 0 HA THR A 57 7.122 -1.048 5.883 1.00 0.00 H new ATOM 0 HB THR A 57 8.060 1.308 6.536 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.632 1.193 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.306 1.071 8.884 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.230 0.190 7.773 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.427 -0.699 8.744 1.00 0.00 H new ATOM 814 N ASN A 58 8.123 0.084 3.856 1.00 0.00 N ATOM 815 CA ASN A 58 8.740 0.474 2.553 1.00 0.00 C ATOM 816 C ASN A 58 7.917 1.581 1.889 1.00 0.00 C ATOM 817 O ASN A 58 7.035 2.159 2.497 1.00 0.00 O ATOM 818 CB ASN A 58 8.710 -0.799 1.705 1.00 0.00 C ATOM 819 CG ASN A 58 10.064 -1.506 1.795 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.305 -2.268 2.712 1.00 0.00 O ATOM 821 ND2 ASN A 58 10.965 -1.286 0.878 1.00 0.00 N ATOM 0 H ASN A 58 7.127 0.289 3.941 1.00 0.00 H new ATOM 0 HA ASN A 58 9.752 0.860 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.918 -1.462 2.054 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.485 -0.552 0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.870 -1.753 0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.764 -0.647 0.109 1.00 0.00 H new ATOM 828 N ASN A 59 8.193 1.871 0.642 1.00 0.00 N ATOM 829 CA ASN A 59 7.424 2.932 -0.074 1.00 0.00 C ATOM 830 C ASN A 59 6.936 2.408 -1.428 1.00 0.00 C ATOM 831 O ASN A 59 7.625 1.663 -2.098 1.00 0.00 O ATOM 832 CB ASN A 59 8.417 4.077 -0.269 1.00 0.00 C ATOM 833 CG ASN A 59 8.869 4.601 1.096 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.435 3.868 1.883 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.641 5.846 1.412 1.00 0.00 N ATOM 0 H ASN A 59 8.920 1.417 0.089 1.00 0.00 H new ATOM 0 HA ASN A 59 6.541 3.249 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.278 3.732 -0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.954 4.880 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.938 6.204 2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.166 6.461 0.751 1.00 0.00 H new ATOM 842 N PHE A 60 5.762 2.815 -1.842 1.00 0.00 N ATOM 843 CA PHE A 60 5.232 2.368 -3.166 1.00 0.00 C ATOM 844 C PHE A 60 4.529 3.530 -3.873 1.00 0.00 C ATOM 845 O PHE A 60 4.200 4.530 -3.263 1.00 0.00 O ATOM 846 CB PHE A 60 4.233 1.256 -2.843 1.00 0.00 C ATOM 847 CG PHE A 60 4.944 0.117 -2.152 1.00 0.00 C ATOM 848 CD1 PHE A 60 6.052 -0.489 -2.757 1.00 0.00 C ATOM 849 CD2 PHE A 60 4.497 -0.331 -0.903 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.710 -1.543 -2.113 1.00 0.00 C ATOM 851 CE2 PHE A 60 5.155 -1.384 -0.259 1.00 0.00 C ATOM 852 CZ PHE A 60 6.262 -1.990 -0.864 1.00 0.00 C ATOM 0 H PHE A 60 5.147 3.439 -1.319 1.00 0.00 H new ATOM 0 HA PHE A 60 6.024 2.022 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.438 1.642 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.761 0.900 -3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.398 -0.143 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.643 0.137 -0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.564 -2.012 -2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.809 -1.729 0.704 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.771 -2.803 -0.367 1.00 0.00 H new ATOM 862 N ALA A 61 4.263 3.386 -5.146 1.00 0.00 N ATOM 863 CA ALA A 61 3.540 4.458 -5.892 1.00 0.00 C ATOM 864 C ALA A 61 2.026 4.251 -5.778 1.00 0.00 C ATOM 865 O ALA A 61 1.547 3.135 -5.728 1.00 0.00 O ATOM 866 CB ALA A 61 3.993 4.306 -7.344 1.00 0.00 C ATOM 0 H ALA A 61 4.516 2.569 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 61 3.756 5.452 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.504 5.061 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.074 4.434 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.725 3.314 -7.707 1.00 0.00 H new ATOM 872 N GLU A 62 1.278 5.322 -5.694 1.00 0.00 N ATOM 873 CA GLU A 62 -0.204 5.197 -5.532 1.00 0.00 C ATOM 874 C GLU A 62 -0.810 4.457 -6.730 1.00 0.00 C ATOM 875 O GLU A 62 -1.776 3.730 -6.595 1.00 0.00 O ATOM 876 CB GLU A 62 -0.732 6.637 -5.458 1.00 0.00 C ATOM 877 CG GLU A 62 -0.361 7.401 -6.734 1.00 0.00 C ATOM 878 CD GLU A 62 -0.170 8.882 -6.404 1.00 0.00 C ATOM 879 OE1 GLU A 62 0.935 9.250 -6.040 1.00 0.00 O ATOM 880 OE2 GLU A 62 -1.131 9.625 -6.522 1.00 0.00 O ATOM 0 H GLU A 62 1.629 6.279 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.470 4.627 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.815 6.629 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.313 7.142 -4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.554 6.992 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.144 7.282 -7.483 1.00 0.00 H new ATOM 887 N ASP A 63 -0.224 4.609 -7.890 1.00 0.00 N ATOM 888 CA ASP A 63 -0.734 3.883 -9.095 1.00 0.00 C ATOM 889 C ASP A 63 -0.447 2.379 -8.979 1.00 0.00 C ATOM 890 O ASP A 63 -1.105 1.568 -9.605 1.00 0.00 O ATOM 891 CB ASP A 63 0.019 4.489 -10.286 1.00 0.00 C ATOM 892 CG ASP A 63 1.529 4.314 -10.098 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.069 4.933 -9.197 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.118 3.564 -10.859 1.00 0.00 O ATOM 0 H ASP A 63 0.587 5.205 -8.056 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.813 3.988 -9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.299 4.007 -11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.224 5.548 -10.379 1.00 0.00 H new ATOM 899 N GLU A 64 0.531 2.005 -8.190 1.00 0.00 N ATOM 900 CA GLU A 64 0.864 0.556 -8.040 1.00 0.00 C ATOM 901 C GLU A 64 0.184 -0.021 -6.794 1.00 0.00 C ATOM 902 O GLU A 64 0.638 -0.998 -6.228 1.00 0.00 O ATOM 903 CB GLU A 64 2.385 0.514 -7.886 1.00 0.00 C ATOM 904 CG GLU A 64 3.045 0.865 -9.220 1.00 0.00 C ATOM 905 CD GLU A 64 4.521 1.190 -8.991 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.829 1.763 -7.957 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.321 0.863 -9.852 1.00 0.00 O ATOM 0 H GLU A 64 1.112 2.641 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 64 0.522 -0.035 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.702 1.217 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.701 -0.478 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.949 0.031 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.540 1.718 -9.674 1.00 0.00 H new ATOM 914 N LEU A 65 -0.935 0.537 -6.403 1.00 0.00 N ATOM 915 CA LEU A 65 -1.688 -0.018 -5.240 1.00 0.00 C ATOM 916 C LEU A 65 -3.191 -0.021 -5.535 1.00 0.00 C ATOM 917 O LEU A 65 -3.762 0.993 -5.890 1.00 0.00 O ATOM 918 CB LEU A 65 -1.373 0.922 -4.076 1.00 0.00 C ATOM 919 CG LEU A 65 0.095 0.766 -3.674 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.446 1.803 -2.607 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.325 -0.639 -3.111 1.00 0.00 C ATOM 0 H LEU A 65 -1.359 1.355 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.405 -1.047 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.574 1.954 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.019 0.696 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 65 0.727 0.916 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.492 1.691 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.284 2.804 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.187 1.654 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.371 -0.750 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.308 -0.789 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.076 -1.380 -3.870 1.00 0.00 H new ATOM 933 N VAL A 66 -3.842 -1.137 -5.326 1.00 0.00 N ATOM 934 CA VAL A 66 -5.322 -1.194 -5.520 1.00 0.00 C ATOM 935 C VAL A 66 -6.024 -1.303 -4.162 1.00 0.00 C ATOM 936 O VAL A 66 -5.500 -1.882 -3.229 1.00 0.00 O ATOM 937 CB VAL A 66 -5.568 -2.454 -6.359 1.00 0.00 C ATOM 938 CG1 VAL A 66 -7.067 -2.609 -6.631 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.826 -2.334 -7.694 1.00 0.00 C ATOM 0 H VAL A 66 -3.411 -2.013 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.711 -0.301 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.204 -3.324 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.238 -3.505 -7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.601 -2.695 -5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.430 -1.737 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.001 -3.230 -8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.190 -1.461 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.757 -2.225 -7.508 1.00 0.00 H new ATOM 949 N GLU A 67 -7.216 -0.772 -4.057 1.00 0.00 N ATOM 950 CA GLU A 67 -7.972 -0.865 -2.772 1.00 0.00 C ATOM 951 C GLU A 67 -8.644 -2.236 -2.652 1.00 0.00 C ATOM 952 O GLU A 67 -9.365 -2.661 -3.534 1.00 0.00 O ATOM 953 CB GLU A 67 -9.024 0.243 -2.847 1.00 0.00 C ATOM 954 CG GLU A 67 -9.325 0.759 -1.439 1.00 0.00 C ATOM 955 CD GLU A 67 -10.302 1.933 -1.524 1.00 0.00 C ATOM 956 OE1 GLU A 67 -10.147 2.743 -2.423 1.00 0.00 O ATOM 957 OE2 GLU A 67 -11.188 2.003 -0.687 1.00 0.00 O ATOM 0 H GLU A 67 -7.699 -0.277 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.323 -0.751 -1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.664 1.058 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.935 -0.137 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.751 -0.039 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.403 1.074 -0.951 1.00 0.00 H new ATOM 964 N VAL A 68 -8.420 -2.922 -1.559 1.00 0.00 N ATOM 965 CA VAL A 68 -9.050 -4.263 -1.367 1.00 0.00 C ATOM 966 C VAL A 68 -9.493 -4.437 0.091 1.00 0.00 C ATOM 967 O VAL A 68 -9.178 -5.424 0.728 1.00 0.00 O ATOM 968 CB VAL A 68 -7.961 -5.279 -1.729 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.558 -5.092 -3.192 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.732 -5.072 -0.836 1.00 0.00 C ATOM 0 H VAL A 68 -7.827 -2.610 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.939 -4.391 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.349 -6.286 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.783 -5.814 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.427 -5.247 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.176 -4.082 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.964 -5.798 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.343 -4.064 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.014 -5.206 0.208 1.00 0.00 H new ATOM 980 N GLU A 69 -10.250 -3.501 0.605 1.00 0.00 N ATOM 981 CA GLU A 69 -10.754 -3.622 2.005 1.00 0.00 C ATOM 982 C GLU A 69 -12.089 -2.886 2.153 1.00 0.00 C ATOM 983 O GLU A 69 -12.144 -1.780 2.656 1.00 0.00 O ATOM 984 CB GLU A 69 -9.678 -2.964 2.871 1.00 0.00 C ATOM 985 CG GLU A 69 -9.997 -3.199 4.349 1.00 0.00 C ATOM 986 CD GLU A 69 -9.874 -4.689 4.668 1.00 0.00 C ATOM 987 OE1 GLU A 69 -8.989 -5.322 4.115 1.00 0.00 O ATOM 988 OE2 GLU A 69 -10.665 -5.172 5.460 1.00 0.00 O ATOM 0 H GLU A 69 -10.541 -2.656 0.113 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.931 -4.658 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.699 -3.377 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.633 -1.895 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.314 -2.625 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.005 -2.850 4.574 1.00 0.00 H new ATOM 995 N ALA A 70 -13.165 -3.506 1.741 1.00 0.00 N ATOM 996 CA ALA A 70 -14.506 -2.865 1.880 1.00 0.00 C ATOM 997 C ALA A 70 -15.137 -3.237 3.232 1.00 0.00 C ATOM 998 O ALA A 70 -14.730 -4.200 3.850 1.00 0.00 O ATOM 999 CB ALA A 70 -15.337 -3.431 0.728 1.00 0.00 C ATOM 0 H ALA A 70 -13.172 -4.432 1.313 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.448 -1.777 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.341 -3.007 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.866 -3.175 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.398 -4.515 0.822 1.00 0.00 H new ATOM 1005 N PRO A 71 -16.117 -2.461 3.656 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.797 -2.733 4.956 1.00 0.00 C ATOM 1007 C PRO A 71 -17.294 -4.184 5.022 1.00 0.00 C ATOM 1008 O PRO A 71 -17.628 -4.780 4.014 1.00 0.00 O ATOM 1009 CB PRO A 71 -17.975 -1.763 4.956 1.00 0.00 C ATOM 1010 CG PRO A 71 -17.562 -0.656 4.041 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.678 -1.272 2.990 1.00 0.00 C ATOM 0 HA PRO A 71 -16.135 -2.601 5.812 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -18.886 -2.248 4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -18.180 -1.390 5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -18.433 -0.184 3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -17.029 0.121 4.589 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.245 -1.542 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.894 -0.584 2.673 1.00 0.00 H new ATOM 1019 N LYS A 72 -17.368 -4.741 6.204 1.00 0.00 N ATOM 1020 CA LYS A 72 -17.870 -6.141 6.349 1.00 0.00 C ATOM 1021 C LYS A 72 -18.180 -6.441 7.818 1.00 0.00 C ATOM 1022 O LYS A 72 -17.806 -7.474 8.340 1.00 0.00 O ATOM 1023 CB LYS A 72 -16.726 -7.025 5.850 1.00 0.00 C ATOM 1024 CG LYS A 72 -17.264 -8.418 5.519 1.00 0.00 C ATOM 1025 CD LYS A 72 -16.134 -9.443 5.637 1.00 0.00 C ATOM 1026 CE LYS A 72 -16.414 -10.620 4.701 1.00 0.00 C ATOM 1027 NZ LYS A 72 -15.830 -10.216 3.391 1.00 0.00 N ATOM 0 H LYS A 72 -17.102 -4.285 7.077 1.00 0.00 H new ATOM 0 HA LYS A 72 -18.790 -6.311 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.268 -6.581 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.948 -7.095 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -18.076 -8.677 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.676 -8.430 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.181 -8.980 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.053 -9.794 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.956 -11.537 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.484 -10.810 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.982 -10.973 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.290 -9.344 3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.810 -10.048 3.503 1.00 0.00 H new ATOM 1041 N ALA A 73 -18.887 -5.557 8.476 1.00 0.00 N ATOM 1042 CA ALA A 73 -19.255 -5.796 9.903 1.00 0.00 C ATOM 1043 C ALA A 73 -20.594 -6.534 9.987 1.00 0.00 C ATOM 1044 O ALA A 73 -21.558 -6.160 9.345 1.00 0.00 O ATOM 1045 CB ALA A 73 -19.370 -4.403 10.521 1.00 0.00 C ATOM 0 H ALA A 73 -19.226 -4.678 8.084 1.00 0.00 H new ATOM 0 HA ALA A 73 -18.520 -6.412 10.422 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -19.639 -4.493 11.573 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -18.414 -3.886 10.434 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -20.139 -3.835 9.997 1.00 0.00 H new ATOM 1051 N LYS A 74 -20.666 -7.561 10.794 1.00 0.00 N ATOM 1052 CA LYS A 74 -21.949 -8.311 10.951 1.00 0.00 C ATOM 1053 C LYS A 74 -22.870 -7.601 11.960 1.00 0.00 C ATOM 1054 O LYS A 74 -24.024 -7.364 11.662 1.00 0.00 O ATOM 1055 CB LYS A 74 -21.544 -9.695 11.467 1.00 0.00 C ATOM 1056 CG LYS A 74 -21.618 -10.715 10.327 1.00 0.00 C ATOM 1057 CD LYS A 74 -23.012 -11.344 10.294 1.00 0.00 C ATOM 1058 CE LYS A 74 -23.023 -12.606 11.158 1.00 0.00 C ATOM 1059 NZ LYS A 74 -24.466 -12.916 11.368 1.00 0.00 N ATOM 0 H LYS A 74 -19.889 -7.914 11.353 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.503 -8.374 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -20.532 -9.661 11.872 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -22.203 -9.997 12.281 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -21.404 -10.229 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.862 -11.488 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -23.752 -10.633 10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -23.287 -11.590 9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.511 -13.429 10.661 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.513 -12.440 12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.556 -13.771 11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -24.926 -12.117 11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.924 -13.076 10.448 1.00 0.00 H new ATOM 1073 N PRO A 75 -22.344 -7.274 13.128 1.00 0.00 N ATOM 1074 CA PRO A 75 -23.166 -6.581 14.163 1.00 0.00 C ATOM 1075 C PRO A 75 -23.863 -5.344 13.578 1.00 0.00 C ATOM 1076 O PRO A 75 -23.469 -4.829 12.549 1.00 0.00 O ATOM 1077 CB PRO A 75 -22.144 -6.167 15.218 1.00 0.00 C ATOM 1078 CG PRO A 75 -21.008 -7.122 15.056 1.00 0.00 C ATOM 1079 CD PRO A 75 -20.968 -7.511 13.601 1.00 0.00 C ATOM 0 HA PRO A 75 -23.959 -7.215 14.559 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -21.818 -5.138 15.068 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -22.567 -6.225 16.221 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -20.068 -6.659 15.358 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -21.148 -8.000 15.687 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -20.247 -6.910 13.047 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -20.677 -8.554 13.475 1.00 0.00 H new ATOM 1087 N LYS A 76 -24.906 -4.882 14.220 1.00 0.00 N ATOM 1088 CA LYS A 76 -25.650 -3.693 13.697 1.00 0.00 C ATOM 1089 C LYS A 76 -24.722 -2.475 13.612 1.00 0.00 C ATOM 1090 O LYS A 76 -24.922 -1.591 12.801 1.00 0.00 O ATOM 1091 CB LYS A 76 -26.784 -3.445 14.700 1.00 0.00 C ATOM 1092 CG LYS A 76 -26.205 -3.196 16.098 1.00 0.00 C ATOM 1093 CD LYS A 76 -27.305 -2.659 17.017 1.00 0.00 C ATOM 1094 CE LYS A 76 -27.977 -3.825 17.746 1.00 0.00 C ATOM 1095 NZ LYS A 76 -29.227 -3.252 18.316 1.00 0.00 N ATOM 0 H LYS A 76 -25.276 -5.276 15.085 1.00 0.00 H new ATOM 0 HA LYS A 76 -26.035 -3.864 12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -27.377 -2.586 14.385 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -27.454 -4.304 14.723 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -25.796 -4.121 16.504 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -25.383 -2.482 16.041 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -26.881 -1.961 17.739 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -28.043 -2.107 16.435 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -28.195 -4.645 17.062 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -27.333 -4.225 18.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -29.744 -3.992 18.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -28.988 -2.478 18.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -29.823 -2.885 17.547 1.00 0.00 H new ATOM 1109 N LYS A 77 -23.699 -2.437 14.429 1.00 0.00 N ATOM 1110 CA LYS A 77 -22.740 -1.293 14.384 1.00 0.00 C ATOM 1111 C LYS A 77 -21.457 -1.707 13.657 1.00 0.00 C ATOM 1112 O LYS A 77 -21.239 -2.899 13.514 1.00 0.00 O ATOM 1113 CB LYS A 77 -22.446 -0.965 15.848 1.00 0.00 C ATOM 1114 CG LYS A 77 -22.286 0.548 16.010 1.00 0.00 C ATOM 1115 CD LYS A 77 -22.426 0.921 17.487 1.00 0.00 C ATOM 1116 CE LYS A 77 -21.104 0.652 18.210 1.00 0.00 C ATOM 1117 NZ LYS A 77 -21.498 0.126 19.547 1.00 0.00 N ATOM 1118 OXT LYS A 77 -20.715 -0.825 13.259 1.00 0.00 O ATOM 0 H LYS A 77 -23.487 -3.151 15.126 1.00 0.00 H new ATOM 0 HA LYS A 77 -23.145 -0.435 13.848 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -23.256 -1.326 16.482 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -21.538 -1.474 16.170 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.312 0.864 15.635 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -23.039 1.069 15.419 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -22.698 1.972 17.583 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.227 0.341 17.945 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.496 -0.070 17.665 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.512 1.563 18.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.644 -0.083 20.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.071 0.837 20.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.055 -0.744 19.427 1.00 0.00 H new TER 1132 LYS A 77