USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 570 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 10 SER OG : rot -43:sc= 1.25 USER MOD Set 1.2: A 14 THR OG1 : rot -57:sc= 0.218! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.323 USER MOD Single : A 12 CYS SG : rot -129:sc= -8.71! USER MOD Single : A 13 LYS NZ :NH3+ -110:sc= -2.97! (180deg=-7.48!) USER MOD Single : A 15 TYR OH : rot 99:sc= -7.2! USER MOD Single : A 16 CYS SG : rot -50:sc= 0.466! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 124:sc= -7.18! (180deg=-7.89!) USER MOD Single : A 31 SER OG : rot 180:sc= -1.1 USER MOD Single : A 34 GLN : amide:sc= -4.45! C(o=-4.4!,f=-6.9!) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= -0.0854 (180deg=-0.657) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -73:sc= -6.09! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.765 USER MOD Single : A 50 SER OG : rot -150:sc= -2.13 USER MOD Single : A 55 THR OG1 : rot -119:sc= -5.43! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.8! C(o=-2.8!,f=-5.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 2 7.366 -6.269 12.497 1.00 0.00 N ATOM 9 CA GLU A 2 6.650 -5.006 12.572 1.00 0.00 C ATOM 10 C GLU A 2 6.905 -4.176 11.312 1.00 0.00 C ATOM 11 O GLU A 2 6.019 -3.462 10.846 1.00 0.00 O ATOM 12 CB GLU A 2 7.041 -4.228 13.830 1.00 0.00 C ATOM 13 CG GLU A 2 6.793 -5.061 15.089 1.00 0.00 C ATOM 14 CD GLU A 2 7.694 -4.600 16.237 1.00 0.00 C ATOM 15 OE1 GLU A 2 8.499 -5.391 16.748 1.00 0.00 O ATOM 16 OE2 GLU A 2 7.534 -3.371 16.595 1.00 0.00 O ATOM 0 HA GLU A 2 5.583 -5.219 12.634 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.093 -3.948 13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.467 -3.303 13.883 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.748 -4.976 15.386 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.979 -6.114 14.876 1.00 0.00 H new ATOM 24 N ALA A 3 8.120 -4.299 10.797 1.00 0.00 N ATOM 25 CA ALA A 3 8.502 -3.568 9.600 1.00 0.00 C ATOM 26 C ALA A 3 7.686 -4.081 8.412 1.00 0.00 C ATOM 27 O ALA A 3 7.246 -3.297 7.572 1.00 0.00 O ATOM 28 CB ALA A 3 10.009 -3.708 9.376 1.00 0.00 C ATOM 0 H ALA A 3 8.852 -4.893 11.186 1.00 0.00 H new ATOM 0 HA ALA A 3 8.286 -2.506 9.714 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.296 -3.160 8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.544 -3.303 10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.263 -4.761 9.255 1.00 0.00 H new ATOM 34 N VAL A 4 7.508 -5.393 8.380 1.00 0.00 N ATOM 35 CA VAL A 4 6.752 -6.021 7.308 1.00 0.00 C ATOM 36 C VAL A 4 5.445 -5.254 7.097 1.00 0.00 C ATOM 37 O VAL A 4 5.111 -4.887 5.972 1.00 0.00 O ATOM 38 CB VAL A 4 6.534 -7.502 7.621 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.482 -8.380 6.800 1.00 0.00 C ATOM 40 CG2 VAL A 4 6.690 -7.776 9.118 1.00 0.00 C ATOM 0 H VAL A 4 7.874 -6.039 9.079 1.00 0.00 H new ATOM 0 HA VAL A 4 7.308 -5.980 6.371 1.00 0.00 H new ATOM 0 HB VAL A 4 5.512 -7.757 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.307 -9.429 7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.301 -8.217 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.514 -8.121 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.530 -8.836 9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.694 -7.496 9.436 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.957 -7.191 9.673 1.00 0.00 H new ATOM 50 N ILE A 5 4.740 -5.037 8.198 1.00 0.00 N ATOM 51 CA ILE A 5 3.475 -4.322 8.147 1.00 0.00 C ATOM 52 C ILE A 5 3.739 -2.820 8.273 1.00 0.00 C ATOM 53 O ILE A 5 3.147 -2.019 7.550 1.00 0.00 O ATOM 54 CB ILE A 5 2.509 -4.866 9.199 1.00 0.00 C ATOM 55 CG1 ILE A 5 2.707 -6.371 9.399 1.00 0.00 C ATOM 56 CG2 ILE A 5 1.061 -4.520 8.846 1.00 0.00 C ATOM 57 CD1 ILE A 5 3.723 -6.928 8.401 1.00 0.00 C ATOM 0 H ILE A 5 5.020 -5.343 9.130 1.00 0.00 H new ATOM 0 HA ILE A 5 2.986 -4.482 7.186 1.00 0.00 H new ATOM 0 HB ILE A 5 2.732 -4.382 10.150 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.048 -6.564 10.416 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.754 -6.886 9.279 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.395 -4.919 9.611 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.948 -3.437 8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.808 -4.957 7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.845 -7.999 8.565 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.368 -6.755 7.385 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.682 -6.428 8.540 1.00 0.00 H new ATOM 69 N LYS A 6 4.628 -2.483 9.195 1.00 0.00 N ATOM 70 CA LYS A 6 4.977 -1.091 9.425 1.00 0.00 C ATOM 71 C LYS A 6 5.300 -0.422 8.087 1.00 0.00 C ATOM 72 O LYS A 6 4.964 0.740 7.873 1.00 0.00 O ATOM 73 CB LYS A 6 6.105 -0.984 10.454 1.00 0.00 C ATOM 74 CG LYS A 6 5.555 -1.048 11.879 1.00 0.00 C ATOM 75 CD LYS A 6 6.638 -0.696 12.902 1.00 0.00 C ATOM 76 CE LYS A 6 7.052 0.772 12.775 1.00 0.00 C ATOM 77 NZ LYS A 6 7.531 1.289 14.077 1.00 0.00 N ATOM 0 H LYS A 6 5.117 -3.150 9.792 1.00 0.00 H new ATOM 0 HA LYS A 6 4.132 -0.553 9.855 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.820 -1.792 10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.645 -0.048 10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.717 -0.359 11.980 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.171 -2.048 12.080 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.269 -0.888 13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.507 -1.337 12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.838 0.871 12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.206 1.366 12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.808 2.286 13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.770 1.212 14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.352 0.732 14.391 1.00 0.00 H new ATOM 90 N VAL A 7 5.947 -1.189 7.221 1.00 0.00 N ATOM 91 CA VAL A 7 6.318 -0.685 5.910 1.00 0.00 C ATOM 92 C VAL A 7 5.054 -0.443 5.084 1.00 0.00 C ATOM 93 O VAL A 7 4.794 0.680 4.655 1.00 0.00 O ATOM 94 CB VAL A 7 7.297 -1.650 5.236 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.563 -2.605 4.291 1.00 0.00 C ATOM 96 CG2 VAL A 7 8.399 -0.888 4.498 1.00 0.00 C ATOM 0 H VAL A 7 6.223 -2.154 7.402 1.00 0.00 H new ATOM 0 HA VAL A 7 6.834 0.271 6.001 1.00 0.00 H new ATOM 0 HB VAL A 7 7.769 -2.247 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.281 -3.280 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.833 -3.185 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.051 -2.031 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.080 -1.598 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.953 -0.253 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.951 -0.270 5.206 1.00 0.00 H new ATOM 106 N ILE A 8 4.301 -1.514 4.886 1.00 0.00 N ATOM 107 CA ILE A 8 3.069 -1.432 4.120 1.00 0.00 C ATOM 108 C ILE A 8 2.202 -0.300 4.674 1.00 0.00 C ATOM 109 O ILE A 8 1.594 0.453 3.913 1.00 0.00 O ATOM 110 CB ILE A 8 2.363 -2.790 4.093 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.610 -3.509 2.765 1.00 0.00 C ATOM 112 CG2 ILE A 8 0.871 -2.637 4.394 1.00 0.00 C ATOM 113 CD1 ILE A 8 2.299 -2.593 1.579 1.00 0.00 C ATOM 0 H ILE A 8 4.520 -2.444 5.243 1.00 0.00 H new ATOM 0 HA ILE A 8 3.284 -1.189 3.079 1.00 0.00 H new ATOM 0 HB ILE A 8 2.788 -3.413 4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.648 -3.838 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.989 -4.403 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.392 -3.616 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.743 -2.196 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.413 -1.990 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.483 -3.129 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.254 -2.286 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.938 -1.711 1.623 1.00 0.00 H new ATOM 125 N SER A 9 2.174 -0.211 5.996 1.00 0.00 N ATOM 126 CA SER A 9 1.393 0.817 6.661 1.00 0.00 C ATOM 127 C SER A 9 2.030 2.188 6.434 1.00 0.00 C ATOM 128 O SER A 9 1.464 3.034 5.743 1.00 0.00 O ATOM 129 CB SER A 9 1.268 0.531 8.159 1.00 0.00 C ATOM 130 OG SER A 9 1.467 1.703 8.945 1.00 0.00 O ATOM 0 H SER A 9 2.680 -0.835 6.624 1.00 0.00 H new ATOM 0 HA SER A 9 0.391 0.815 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.281 0.118 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.998 -0.226 8.446 1.00 0.00 H new ATOM 0 HG SER A 9 1.377 1.479 9.895 1.00 0.00 H new ATOM 136 N SER A 10 3.201 2.368 7.028 1.00 0.00 N ATOM 137 CA SER A 10 3.922 3.622 6.899 1.00 0.00 C ATOM 138 C SER A 10 4.152 3.943 5.421 1.00 0.00 C ATOM 139 O SER A 10 3.876 5.055 4.973 1.00 0.00 O ATOM 140 CB SER A 10 5.257 3.569 7.645 1.00 0.00 C ATOM 141 OG SER A 10 5.505 4.764 8.380 1.00 0.00 O ATOM 0 H SER A 10 3.668 1.665 7.600 1.00 0.00 H new ATOM 0 HA SER A 10 3.318 4.412 7.346 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.258 2.718 8.326 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.065 3.408 6.931 1.00 0.00 H new ATOM 0 HG SER A 10 5.262 5.540 7.834 1.00 0.00 H new ATOM 147 N ALA A 11 4.657 2.949 4.704 1.00 0.00 N ATOM 148 CA ALA A 11 4.928 3.111 3.286 1.00 0.00 C ATOM 149 C ALA A 11 3.670 3.633 2.587 1.00 0.00 C ATOM 150 O ALA A 11 3.684 4.710 1.996 1.00 0.00 O ATOM 151 CB ALA A 11 5.411 1.783 2.702 1.00 0.00 C ATOM 0 H ALA A 11 4.885 2.028 5.079 1.00 0.00 H new ATOM 0 HA ALA A 11 5.721 3.843 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.614 1.906 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.323 1.471 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.641 1.024 2.839 1.00 0.00 H new ATOM 157 N CYS A 12 2.610 2.841 2.678 1.00 0.00 N ATOM 158 CA CYS A 12 1.347 3.209 2.063 1.00 0.00 C ATOM 159 C CYS A 12 1.220 4.732 2.098 1.00 0.00 C ATOM 160 O CYS A 12 0.946 5.361 1.077 1.00 0.00 O ATOM 161 CB CYS A 12 0.164 2.521 2.746 1.00 0.00 C ATOM 162 SG CYS A 12 -1.410 3.146 2.051 1.00 0.00 S ATOM 0 H CYS A 12 2.601 1.947 3.168 1.00 0.00 H new ATOM 0 HA CYS A 12 1.332 2.869 1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.230 1.442 2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.196 2.706 3.820 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.199 3.506 3.019 1.00 0.00 H new ATOM 168 N LYS A 13 1.427 5.284 3.285 1.00 0.00 N ATOM 169 CA LYS A 13 1.339 6.723 3.467 1.00 0.00 C ATOM 170 C LYS A 13 2.743 7.327 3.410 1.00 0.00 C ATOM 171 O LYS A 13 3.037 8.144 2.539 1.00 0.00 O ATOM 172 CB LYS A 13 0.580 7.054 4.753 1.00 0.00 C ATOM 173 CG LYS A 13 -0.409 8.200 4.526 1.00 0.00 C ATOM 174 CD LYS A 13 0.316 9.475 4.091 1.00 0.00 C ATOM 175 CE LYS A 13 -0.426 10.165 2.945 1.00 0.00 C ATOM 176 NZ LYS A 13 0.213 11.459 2.619 1.00 0.00 N ATOM 0 H LYS A 13 1.655 4.760 4.130 1.00 0.00 H new ATOM 0 HA LYS A 13 0.764 7.175 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.045 6.171 5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.287 7.328 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.135 7.913 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.967 8.390 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.399 10.157 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.331 9.231 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.427 9.522 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.467 10.327 3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.411 12.238 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.120 11.535 3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.380 11.515 1.594 1.00 0.00 H new ATOM 189 N THR A 14 3.575 6.902 4.349 1.00 0.00 N ATOM 190 CA THR A 14 4.943 7.388 4.417 1.00 0.00 C ATOM 191 C THR A 14 5.616 7.277 3.049 1.00 0.00 C ATOM 192 O THR A 14 6.396 8.147 2.664 1.00 0.00 O ATOM 193 CB THR A 14 5.669 6.613 5.518 1.00 0.00 C ATOM 194 OG1 THR A 14 4.732 6.575 6.591 1.00 0.00 O ATOM 195 CG2 THR A 14 6.859 7.383 6.090 1.00 0.00 C ATOM 0 H THR A 14 3.328 6.225 5.071 1.00 0.00 H new ATOM 0 HA THR A 14 4.974 8.447 4.674 1.00 0.00 H new ATOM 0 HB THR A 14 6.013 5.657 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.477 7.489 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.338 6.788 6.867 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.576 7.587 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.512 8.324 6.516 1.00 0.00 H new ATOM 203 N TYR A 15 5.291 6.199 2.351 1.00 0.00 N ATOM 204 CA TYR A 15 5.855 5.962 1.033 1.00 0.00 C ATOM 205 C TYR A 15 5.522 7.110 0.079 1.00 0.00 C ATOM 206 O TYR A 15 6.389 7.916 -0.254 1.00 0.00 O ATOM 207 CB TYR A 15 5.199 4.680 0.518 1.00 0.00 C ATOM 208 CG TYR A 15 6.066 3.886 -0.461 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.104 4.509 -1.125 1.00 0.00 C ATOM 210 CD2 TYR A 15 5.812 2.547 -0.683 1.00 0.00 C ATOM 211 CE1 TYR A 15 7.921 3.762 -2.048 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.628 1.802 -1.604 1.00 0.00 C ATOM 213 CZ TYR A 15 7.642 2.445 -2.241 1.00 0.00 C ATOM 214 OH TYR A 15 8.414 1.740 -3.112 1.00 0.00 O ATOM 0 H TYR A 15 4.644 5.480 2.673 1.00 0.00 H new ATOM 0 HA TYR A 15 6.941 5.883 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.953 4.043 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.259 4.936 0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.304 5.556 -0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.000 2.059 -0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.736 4.237 -2.574 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.439 0.754 -1.785 1.00 0.00 H new ATOM 0 HH TYR A 15 9.089 1.233 -2.614 1.00 0.00 H new ATOM 224 N CYS A 16 4.263 7.147 -0.334 1.00 0.00 N ATOM 225 CA CYS A 16 3.805 8.183 -1.244 1.00 0.00 C ATOM 226 C CYS A 16 2.906 9.143 -0.464 1.00 0.00 C ATOM 227 O CYS A 16 1.825 9.503 -0.927 1.00 0.00 O ATOM 228 CB CYS A 16 3.089 7.592 -2.460 1.00 0.00 C ATOM 229 SG CYS A 16 2.346 8.932 -3.461 1.00 0.00 S ATOM 0 H CYS A 16 3.547 6.477 -0.055 1.00 0.00 H new ATOM 0 HA CYS A 16 4.662 8.728 -1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.794 7.022 -3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.314 6.898 -2.134 1.00 0.00 H new ATOM 0 HG CYS A 16 1.645 9.711 -2.692 1.00 0.00 H new ATOM 235 N GLY A 17 3.387 9.533 0.709 1.00 0.00 N ATOM 236 CA GLY A 17 2.641 10.445 1.557 1.00 0.00 C ATOM 237 C GLY A 17 3.525 11.000 2.676 1.00 0.00 C ATOM 238 O GLY A 17 3.261 12.079 3.204 1.00 0.00 O ATOM 0 H GLY A 17 4.284 9.233 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.249 11.266 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.784 9.928 1.988 1.00 0.00 H new ATOM 242 N LYS A 18 4.557 10.236 3.005 1.00 0.00 N ATOM 243 CA LYS A 18 5.481 10.639 4.051 1.00 0.00 C ATOM 244 C LYS A 18 4.736 10.709 5.385 1.00 0.00 C ATOM 245 O LYS A 18 4.889 9.831 6.233 1.00 0.00 O ATOM 246 CB LYS A 18 6.188 11.942 3.672 1.00 0.00 C ATOM 247 CG LYS A 18 7.603 11.988 4.249 1.00 0.00 C ATOM 248 CD LYS A 18 7.875 13.330 4.931 1.00 0.00 C ATOM 249 CE LYS A 18 9.152 13.972 4.388 1.00 0.00 C ATOM 250 NZ LYS A 18 10.262 13.817 5.355 1.00 0.00 N ATOM 0 H LYS A 18 4.773 9.341 2.566 1.00 0.00 H new ATOM 0 HA LYS A 18 6.272 9.898 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.231 12.034 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.614 12.792 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.733 11.178 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.330 11.827 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.031 14.001 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.967 13.183 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.422 13.511 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.979 15.030 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.122 14.259 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.008 14.278 6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.438 12.806 5.523 1.00 0.00 H new ATOM 334 N LYS A 24 -7.563 7.130 4.470 1.00 0.00 N ATOM 335 CA LYS A 24 -7.316 6.133 3.443 1.00 0.00 C ATOM 336 C LYS A 24 -5.830 5.773 3.433 1.00 0.00 C ATOM 337 O LYS A 24 -5.379 5.007 2.583 1.00 0.00 O ATOM 338 CB LYS A 24 -7.840 6.618 2.089 1.00 0.00 C ATOM 339 CG LYS A 24 -9.284 6.160 1.864 1.00 0.00 C ATOM 340 CD LYS A 24 -10.208 7.356 1.629 1.00 0.00 C ATOM 341 CE LYS A 24 -11.404 7.320 2.580 1.00 0.00 C ATOM 342 NZ LYS A 24 -11.830 8.693 2.933 1.00 0.00 N ATOM 0 HA LYS A 24 -7.864 5.217 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.788 7.706 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.204 6.235 1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.327 5.489 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.629 5.594 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.653 8.283 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.559 7.351 0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.231 6.786 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.140 6.771 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.643 8.649 3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.045 9.191 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.102 9.205 2.069 1.00 0.00 H new ATOM 355 N GLU A 25 -5.110 6.342 4.389 1.00 0.00 N ATOM 356 CA GLU A 25 -3.683 6.091 4.501 1.00 0.00 C ATOM 357 C GLU A 25 -3.433 4.672 5.015 1.00 0.00 C ATOM 358 O GLU A 25 -3.382 3.724 4.230 1.00 0.00 O ATOM 359 CB GLU A 25 -3.014 7.128 5.406 1.00 0.00 C ATOM 360 CG GLU A 25 -3.906 7.470 6.600 1.00 0.00 C ATOM 361 CD GLU A 25 -3.080 7.609 7.880 1.00 0.00 C ATOM 362 OE1 GLU A 25 -1.842 7.665 7.817 1.00 0.00 O ATOM 363 OE2 GLU A 25 -3.767 7.658 8.971 1.00 0.00 O ATOM 0 H GLU A 25 -5.488 6.976 5.093 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.238 6.181 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.058 6.744 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.802 8.032 4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.440 8.400 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.658 6.692 6.731 1.00 0.00 H new ATOM 371 N ILE A 26 -3.284 4.569 6.327 1.00 0.00 N ATOM 372 CA ILE A 26 -3.040 3.280 6.953 1.00 0.00 C ATOM 373 C ILE A 26 -4.082 2.273 6.462 1.00 0.00 C ATOM 374 O ILE A 26 -3.786 1.088 6.316 1.00 0.00 O ATOM 375 CB ILE A 26 -2.997 3.425 8.476 1.00 0.00 C ATOM 376 CG1 ILE A 26 -1.912 4.416 8.901 1.00 0.00 C ATOM 377 CG2 ILE A 26 -2.825 2.063 9.152 1.00 0.00 C ATOM 378 CD1 ILE A 26 -2.280 5.100 10.220 1.00 0.00 C ATOM 0 H ILE A 26 -3.327 5.356 6.974 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.062 2.895 6.663 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.953 3.831 8.808 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.961 3.895 9.011 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.776 5.167 8.123 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.797 2.195 10.234 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.661 1.417 8.886 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.893 1.606 8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.492 5.799 10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.219 5.640 10.100 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.391 4.348 11.001 1.00 0.00 H new ATOM 390 N GLY A 27 -5.282 2.782 6.218 1.00 0.00 N ATOM 391 CA GLY A 27 -6.369 1.942 5.747 1.00 0.00 C ATOM 392 C GLY A 27 -5.932 1.107 4.541 1.00 0.00 C ATOM 393 O GLY A 27 -6.047 -0.117 4.555 1.00 0.00 O ATOM 0 H GLY A 27 -5.524 3.766 6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.699 1.283 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.222 2.563 5.474 1.00 0.00 H new ATOM 397 N ALA A 28 -5.439 1.802 3.526 1.00 0.00 N ATOM 398 CA ALA A 28 -4.984 1.140 2.315 1.00 0.00 C ATOM 399 C ALA A 28 -4.008 0.021 2.687 1.00 0.00 C ATOM 400 O ALA A 28 -4.215 -1.134 2.323 1.00 0.00 O ATOM 401 CB ALA A 28 -4.359 2.170 1.374 1.00 0.00 C ATOM 0 H ALA A 28 -5.345 2.818 3.518 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.823 0.685 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.018 1.673 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.101 2.926 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.512 2.646 1.867 1.00 0.00 H new ATOM 407 N MET A 29 -2.965 0.405 3.407 1.00 0.00 N ATOM 408 CA MET A 29 -1.956 -0.550 3.832 1.00 0.00 C ATOM 409 C MET A 29 -2.585 -1.910 4.144 1.00 0.00 C ATOM 410 O MET A 29 -2.023 -2.950 3.806 1.00 0.00 O ATOM 411 CB MET A 29 -1.242 -0.020 5.077 1.00 0.00 C ATOM 412 CG MET A 29 -0.949 -1.151 6.064 1.00 0.00 C ATOM 413 SD MET A 29 -2.007 -1.002 7.494 1.00 0.00 S ATOM 414 CE MET A 29 -1.055 -1.936 8.682 1.00 0.00 C ATOM 0 H MET A 29 -2.796 1.365 3.707 1.00 0.00 H new ATOM 0 HA MET A 29 -1.241 -0.679 3.020 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.310 0.465 4.787 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.859 0.738 5.560 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.108 -2.116 5.582 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.097 -1.116 6.370 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.850 -1.314 9.554 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.619 -2.817 8.989 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.114 -2.248 8.230 1.00 0.00 H new ATOM 424 N LEU A 30 -3.744 -1.856 4.786 1.00 0.00 N ATOM 425 CA LEU A 30 -4.455 -3.070 5.148 1.00 0.00 C ATOM 426 C LEU A 30 -5.459 -3.414 4.046 1.00 0.00 C ATOM 427 O LEU A 30 -5.243 -4.345 3.272 1.00 0.00 O ATOM 428 CB LEU A 30 -5.087 -2.928 6.533 1.00 0.00 C ATOM 429 CG LEU A 30 -4.712 -4.003 7.555 1.00 0.00 C ATOM 430 CD1 LEU A 30 -3.221 -4.335 7.480 1.00 0.00 C ATOM 431 CD2 LEU A 30 -5.137 -3.591 8.966 1.00 0.00 C ATOM 0 H LEU A 30 -4.207 -0.991 5.064 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.763 -3.909 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.809 -1.956 6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.171 -2.927 6.418 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.257 -4.914 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.981 -5.102 8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.980 -4.702 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.638 -3.438 7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.859 -4.373 9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.639 -2.661 9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.217 -3.446 8.993 1.00 0.00 H new ATOM 443 N SER A 31 -6.538 -2.645 4.011 1.00 0.00 N ATOM 444 CA SER A 31 -7.576 -2.857 3.017 1.00 0.00 C ATOM 445 C SER A 31 -6.956 -2.934 1.619 1.00 0.00 C ATOM 446 O SER A 31 -7.473 -3.626 0.745 1.00 0.00 O ATOM 447 CB SER A 31 -8.627 -1.746 3.071 1.00 0.00 C ATOM 448 OG SER A 31 -9.911 -2.242 3.441 1.00 0.00 O ATOM 0 H SER A 31 -6.715 -1.874 4.655 1.00 0.00 H new ATOM 0 HA SER A 31 -8.073 -3.801 3.239 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.313 -0.985 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.693 -1.262 2.097 1.00 0.00 H new ATOM 0 HG SER A 31 -10.553 -1.502 3.466 1.00 0.00 H new ATOM 454 N LEU A 32 -5.858 -2.211 1.456 1.00 0.00 N ATOM 455 CA LEU A 32 -5.162 -2.188 0.180 1.00 0.00 C ATOM 456 C LEU A 32 -4.457 -3.529 -0.036 1.00 0.00 C ATOM 457 O LEU A 32 -4.799 -4.274 -0.953 1.00 0.00 O ATOM 458 CB LEU A 32 -4.225 -0.981 0.103 1.00 0.00 C ATOM 459 CG LEU A 32 -3.977 -0.413 -1.297 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.438 -1.394 -2.376 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.629 0.962 -1.454 1.00 0.00 C ATOM 0 H LEU A 32 -5.433 -1.637 2.185 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.871 -2.065 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.634 -0.188 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.265 -1.263 0.534 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.903 -0.276 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.251 -0.966 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.888 -2.330 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.505 -1.586 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.438 1.343 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.704 0.875 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.210 1.649 -0.719 1.00 0.00 H new ATOM 473 N LEU A 33 -3.485 -3.796 0.825 1.00 0.00 N ATOM 474 CA LEU A 33 -2.730 -5.033 0.740 1.00 0.00 C ATOM 475 C LEU A 33 -3.592 -6.189 1.253 1.00 0.00 C ATOM 476 O LEU A 33 -3.692 -7.228 0.602 1.00 0.00 O ATOM 477 CB LEU A 33 -1.391 -4.894 1.468 1.00 0.00 C ATOM 478 CG LEU A 33 -0.337 -4.027 0.776 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.378 -4.809 -0.326 1.00 0.00 C ATOM 480 CD2 LEU A 33 -0.955 -2.729 0.252 1.00 0.00 C ATOM 0 H LEU A 33 -3.204 -3.176 1.585 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.481 -5.257 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.580 -4.480 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.974 -5.891 1.614 1.00 0.00 H new ATOM 0 HG LEU A 33 0.417 -3.750 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.122 -4.170 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.871 -5.679 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.348 -5.136 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.185 -2.130 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.741 -2.964 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.380 -2.167 1.084 1.00 0.00 H new ATOM 492 N GLN A 34 -4.191 -5.968 2.413 1.00 0.00 N ATOM 493 CA GLN A 34 -5.042 -6.977 3.020 1.00 0.00 C ATOM 494 C GLN A 34 -6.337 -7.132 2.220 1.00 0.00 C ATOM 495 O GLN A 34 -7.213 -7.909 2.594 1.00 0.00 O ATOM 496 CB GLN A 34 -5.338 -6.639 4.482 1.00 0.00 C ATOM 497 CG GLN A 34 -4.394 -7.392 5.422 1.00 0.00 C ATOM 498 CD GLN A 34 -5.006 -7.535 6.817 1.00 0.00 C ATOM 499 OE1 GLN A 34 -6.208 -7.452 7.005 1.00 0.00 O ATOM 500 NE2 GLN A 34 -4.115 -7.753 7.779 1.00 0.00 N ATOM 0 H GLN A 34 -4.104 -5.105 2.949 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.511 -7.929 3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.233 -5.565 4.639 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.371 -6.896 4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.179 -8.379 5.013 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.444 -6.862 5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.122 -7.811 7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.424 -7.862 8.745 1.00 0.00 H new ATOM 509 N LYS A 35 -6.416 -6.378 1.133 1.00 0.00 N ATOM 510 CA LYS A 35 -7.590 -6.421 0.277 1.00 0.00 C ATOM 511 C LYS A 35 -7.148 -6.391 -1.188 1.00 0.00 C ATOM 512 O LYS A 35 -7.897 -5.944 -2.056 1.00 0.00 O ATOM 513 CB LYS A 35 -8.566 -5.303 0.648 1.00 0.00 C ATOM 514 CG LYS A 35 -9.994 -5.838 0.767 1.00 0.00 C ATOM 515 CD LYS A 35 -11.017 -4.744 0.460 1.00 0.00 C ATOM 516 CE LYS A 35 -11.720 -4.276 1.735 1.00 0.00 C ATOM 517 NZ LYS A 35 -12.492 -5.386 2.338 1.00 0.00 N ATOM 0 H LYS A 35 -5.687 -5.734 0.826 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.137 -7.352 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.264 -4.850 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.530 -4.518 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.132 -6.673 0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.159 -6.223 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.519 -3.899 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.755 -5.120 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.984 -3.907 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.386 -3.444 1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.326 -5.003 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.800 -6.041 1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.894 -5.895 3.020 1.00 0.00 H new ATOM 530 N GLU A 36 -5.936 -6.873 -1.417 1.00 0.00 N ATOM 531 CA GLU A 36 -5.387 -6.906 -2.762 1.00 0.00 C ATOM 532 C GLU A 36 -4.609 -8.206 -2.985 1.00 0.00 C ATOM 533 O GLU A 36 -3.978 -8.385 -4.025 1.00 0.00 O ATOM 534 CB GLU A 36 -4.500 -5.687 -3.022 1.00 0.00 C ATOM 535 CG GLU A 36 -5.341 -4.478 -3.441 1.00 0.00 C ATOM 536 CD GLU A 36 -6.575 -4.917 -4.232 1.00 0.00 C ATOM 537 OE1 GLU A 36 -7.701 -4.529 -3.888 1.00 0.00 O ATOM 538 OE2 GLU A 36 -6.334 -5.688 -5.238 1.00 0.00 O ATOM 0 H GLU A 36 -5.319 -7.244 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.213 -6.872 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.933 -5.446 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.776 -5.919 -3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.651 -3.922 -2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.737 -3.803 -4.047 1.00 0.00 H new ATOM 546 N GLY A 37 -4.683 -9.080 -1.993 1.00 0.00 N ATOM 547 CA GLY A 37 -3.994 -10.357 -2.068 1.00 0.00 C ATOM 548 C GLY A 37 -2.793 -10.389 -1.121 1.00 0.00 C ATOM 549 O GLY A 37 -1.763 -10.981 -1.440 1.00 0.00 O ATOM 0 H GLY A 37 -5.210 -8.929 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.684 -11.162 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.660 -10.535 -3.090 1.00 0.00 H new ATOM 553 N LEU A 38 -2.963 -9.744 0.022 1.00 0.00 N ATOM 554 CA LEU A 38 -1.905 -9.690 1.017 1.00 0.00 C ATOM 555 C LEU A 38 -2.518 -9.803 2.414 1.00 0.00 C ATOM 556 O LEU A 38 -2.132 -9.073 3.326 1.00 0.00 O ATOM 557 CB LEU A 38 -1.048 -8.439 0.820 1.00 0.00 C ATOM 558 CG LEU A 38 -0.419 -8.269 -0.564 1.00 0.00 C ATOM 559 CD1 LEU A 38 -1.368 -7.526 -1.508 1.00 0.00 C ATOM 560 CD2 LEU A 38 0.945 -7.582 -0.466 1.00 0.00 C ATOM 0 H LEU A 38 -3.818 -9.253 0.283 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.226 -10.535 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.664 -7.564 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.249 -8.449 1.562 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.251 -9.259 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.898 -7.418 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.294 -8.091 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.588 -6.540 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.370 -7.473 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.825 -6.598 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.613 -8.185 0.149 1.00 0.00 H new ATOM 572 N LEU A 39 -3.464 -10.722 2.540 1.00 0.00 N ATOM 573 CA LEU A 39 -4.135 -10.939 3.810 1.00 0.00 C ATOM 574 C LEU A 39 -3.758 -12.319 4.352 1.00 0.00 C ATOM 575 O LEU A 39 -4.339 -12.786 5.330 1.00 0.00 O ATOM 576 CB LEU A 39 -5.642 -10.725 3.664 1.00 0.00 C ATOM 577 CG LEU A 39 -6.314 -9.906 4.767 1.00 0.00 C ATOM 578 CD1 LEU A 39 -7.836 -10.052 4.709 1.00 0.00 C ATOM 579 CD2 LEU A 39 -5.754 -10.274 6.142 1.00 0.00 C ATOM 0 H LEU A 39 -3.782 -11.326 1.782 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.804 -10.206 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.828 -10.233 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.125 -11.701 3.619 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.086 -8.854 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.289 -9.460 5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.199 -9.701 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.106 -11.100 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.249 -9.677 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.931 -11.332 6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.682 -10.076 6.163 1.00 0.00 H new ATOM 591 N MET A 40 -2.789 -12.934 3.692 1.00 0.00 N ATOM 592 CA MET A 40 -2.327 -14.251 4.094 1.00 0.00 C ATOM 593 C MET A 40 -0.938 -14.177 4.732 1.00 0.00 C ATOM 594 O MET A 40 -0.290 -15.200 4.940 1.00 0.00 O ATOM 595 CB MET A 40 -2.280 -15.172 2.873 1.00 0.00 C ATOM 596 CG MET A 40 -1.715 -16.545 3.242 1.00 0.00 C ATOM 597 SD MET A 40 -2.632 -17.827 2.403 1.00 0.00 S ATOM 598 CE MET A 40 -2.734 -19.040 3.708 1.00 0.00 C ATOM 0 H MET A 40 -2.310 -12.544 2.880 1.00 0.00 H new ATOM 0 HA MET A 40 -3.024 -14.648 4.833 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.283 -15.286 2.461 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.665 -14.719 2.095 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.662 -16.600 2.967 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.771 -16.693 4.321 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.280 -19.913 3.351 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.729 -19.338 4.007 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.255 -18.611 4.564 1.00 0.00 H new ATOM 608 N SER A 41 -0.522 -12.953 5.023 1.00 0.00 N ATOM 609 CA SER A 41 0.778 -12.729 5.633 1.00 0.00 C ATOM 610 C SER A 41 1.322 -11.360 5.218 1.00 0.00 C ATOM 611 O SER A 41 1.760 -11.180 4.083 1.00 0.00 O ATOM 612 CB SER A 41 1.765 -13.832 5.245 1.00 0.00 C ATOM 613 OG SER A 41 3.118 -13.402 5.356 1.00 0.00 O ATOM 0 H SER A 41 -1.062 -12.106 4.848 1.00 0.00 H new ATOM 0 HA SER A 41 0.656 -12.751 6.716 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.607 -14.701 5.884 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.569 -14.150 4.221 1.00 0.00 H new ATOM 0 HG SER A 41 3.716 -14.135 5.101 1.00 0.00 H new ATOM 619 N PRO A 42 1.278 -10.407 6.188 1.00 0.00 N ATOM 620 CA PRO A 42 1.760 -9.060 5.933 1.00 0.00 C ATOM 621 C PRO A 42 3.289 -9.021 5.918 1.00 0.00 C ATOM 622 O PRO A 42 3.884 -8.000 5.572 1.00 0.00 O ATOM 623 CB PRO A 42 1.156 -8.212 7.040 1.00 0.00 C ATOM 624 CG PRO A 42 0.739 -9.185 8.132 1.00 0.00 C ATOM 625 CD PRO A 42 0.766 -10.585 7.543 1.00 0.00 C ATOM 0 HA PRO A 42 1.464 -8.684 4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.880 -7.489 7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.300 -7.645 6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.416 -9.116 8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.259 -8.944 8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.407 -11.247 8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.229 -11.031 7.535 1.00 0.00 H new ATOM 633 N SER A 43 3.883 -10.143 6.296 1.00 0.00 N ATOM 634 CA SER A 43 5.332 -10.250 6.330 1.00 0.00 C ATOM 635 C SER A 43 5.892 -10.211 4.907 1.00 0.00 C ATOM 636 O SER A 43 7.101 -10.091 4.715 1.00 0.00 O ATOM 637 CB SER A 43 5.773 -11.531 7.039 1.00 0.00 C ATOM 638 OG SER A 43 6.853 -11.298 7.940 1.00 0.00 O ATOM 0 H SER A 43 3.387 -10.987 6.582 1.00 0.00 H new ATOM 0 HA SER A 43 5.725 -9.403 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.929 -11.952 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.073 -12.271 6.297 1.00 0.00 H new ATOM 0 HG SER A 43 7.677 -11.150 7.431 1.00 0.00 H new ATOM 644 N ASP A 44 4.986 -10.314 3.944 1.00 0.00 N ATOM 645 CA ASP A 44 5.375 -10.292 2.544 1.00 0.00 C ATOM 646 C ASP A 44 6.543 -9.322 2.359 1.00 0.00 C ATOM 647 O ASP A 44 7.406 -9.538 1.510 1.00 0.00 O ATOM 648 CB ASP A 44 4.221 -9.817 1.660 1.00 0.00 C ATOM 649 CG ASP A 44 4.395 -10.096 0.166 1.00 0.00 C ATOM 650 OD1 ASP A 44 5.112 -9.371 -0.539 1.00 0.00 O ATOM 651 OD2 ASP A 44 3.747 -11.120 -0.277 1.00 0.00 O ATOM 0 H ASP A 44 3.984 -10.413 4.106 1.00 0.00 H new ATOM 0 HA ASP A 44 5.657 -11.305 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.302 -10.296 1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.092 -8.744 1.801 1.00 0.00 H new ATOM 657 N LEU A 45 6.533 -8.271 3.169 1.00 0.00 N ATOM 658 CA LEU A 45 7.580 -7.268 3.104 1.00 0.00 C ATOM 659 C LEU A 45 8.945 -7.954 3.192 1.00 0.00 C ATOM 660 O LEU A 45 9.902 -7.525 2.548 1.00 0.00 O ATOM 661 CB LEU A 45 7.362 -6.195 4.175 1.00 0.00 C ATOM 662 CG LEU A 45 8.626 -5.615 4.811 1.00 0.00 C ATOM 663 CD1 LEU A 45 8.319 -4.308 5.546 1.00 0.00 C ATOM 664 CD2 LEU A 45 9.299 -6.641 5.724 1.00 0.00 C ATOM 0 H LEU A 45 5.816 -8.094 3.873 1.00 0.00 H new ATOM 0 HA LEU A 45 7.546 -6.745 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.795 -5.377 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.744 -6.620 4.966 1.00 0.00 H new ATOM 0 HG LEU A 45 9.332 -5.379 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.234 -3.916 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.917 -3.580 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.587 -4.496 6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.195 -6.204 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.609 -6.930 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.573 -7.521 5.142 1.00 0.00 H new ATOM 676 N TYR A 46 8.992 -9.007 3.993 1.00 0.00 N ATOM 677 CA TYR A 46 10.223 -9.757 4.173 1.00 0.00 C ATOM 678 C TYR A 46 10.692 -10.368 2.850 1.00 0.00 C ATOM 679 O TYR A 46 11.789 -10.920 2.771 1.00 0.00 O ATOM 680 CB TYR A 46 9.891 -10.885 5.152 1.00 0.00 C ATOM 681 CG TYR A 46 9.857 -10.447 6.617 1.00 0.00 C ATOM 682 CD1 TYR A 46 10.465 -9.268 7.000 1.00 0.00 C ATOM 683 CD2 TYR A 46 9.218 -11.230 7.557 1.00 0.00 C ATOM 684 CE1 TYR A 46 10.433 -8.856 8.379 1.00 0.00 C ATOM 685 CE2 TYR A 46 9.185 -10.818 8.937 1.00 0.00 C ATOM 686 CZ TYR A 46 9.794 -9.652 9.278 1.00 0.00 C ATOM 687 OH TYR A 46 9.764 -9.262 10.582 1.00 0.00 O ATOM 0 H TYR A 46 8.197 -9.359 4.526 1.00 0.00 H new ATOM 0 HA TYR A 46 11.018 -9.107 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.922 -11.308 4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.628 -11.680 5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.965 -8.655 6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.742 -12.152 7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.905 -7.937 8.692 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.688 -11.421 9.683 1.00 0.00 H new ATOM 0 HH TYR A 46 9.273 -9.926 11.111 1.00 0.00 H new ATOM 697 N SER A 47 9.837 -10.247 1.844 1.00 0.00 N ATOM 698 CA SER A 47 10.150 -10.779 0.530 1.00 0.00 C ATOM 699 C SER A 47 10.185 -9.648 -0.499 1.00 0.00 C ATOM 700 O SER A 47 9.408 -8.699 -0.409 1.00 0.00 O ATOM 701 CB SER A 47 9.136 -11.846 0.111 1.00 0.00 C ATOM 702 OG SER A 47 9.501 -12.479 -1.112 1.00 0.00 O ATOM 0 H SER A 47 8.929 -9.788 1.914 1.00 0.00 H new ATOM 0 HA SER A 47 11.133 -11.249 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.054 -12.597 0.897 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.152 -11.389 0.003 1.00 0.00 H new ATOM 0 HG SER A 47 8.830 -13.154 -1.344 1.00 0.00 H new ATOM 708 N PRO A 48 11.119 -9.788 -1.477 1.00 0.00 N ATOM 709 CA PRO A 48 11.265 -8.788 -2.522 1.00 0.00 C ATOM 710 C PRO A 48 10.130 -8.893 -3.543 1.00 0.00 C ATOM 711 O PRO A 48 10.066 -9.852 -4.310 1.00 0.00 O ATOM 712 CB PRO A 48 12.634 -9.050 -3.127 1.00 0.00 C ATOM 713 CG PRO A 48 13.008 -10.466 -2.720 1.00 0.00 C ATOM 714 CD PRO A 48 12.058 -10.898 -1.615 1.00 0.00 C ATOM 0 HA PRO A 48 11.200 -7.769 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.607 -8.950 -4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.367 -8.332 -2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.934 -11.141 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.040 -10.504 -2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.543 -11.822 -1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.593 -11.082 -0.683 1.00 0.00 H new ATOM 722 N GLY A 49 9.263 -7.892 -3.520 1.00 0.00 N ATOM 723 CA GLY A 49 8.135 -7.858 -4.434 1.00 0.00 C ATOM 724 C GLY A 49 6.813 -8.003 -3.677 1.00 0.00 C ATOM 725 O GLY A 49 6.092 -8.984 -3.861 1.00 0.00 O ATOM 0 H GLY A 49 9.319 -7.098 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.140 -6.920 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.230 -8.661 -5.165 1.00 0.00 H new ATOM 729 N SER A 50 6.532 -7.012 -2.844 1.00 0.00 N ATOM 730 CA SER A 50 5.309 -7.017 -2.059 1.00 0.00 C ATOM 731 C SER A 50 4.373 -5.908 -2.542 1.00 0.00 C ATOM 732 O SER A 50 3.176 -5.934 -2.260 1.00 0.00 O ATOM 733 CB SER A 50 5.611 -6.846 -0.569 1.00 0.00 C ATOM 734 OG SER A 50 4.491 -7.187 0.244 1.00 0.00 O ATOM 0 H SER A 50 7.131 -6.200 -2.695 1.00 0.00 H new ATOM 0 HA SER A 50 4.819 -7.981 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.461 -7.472 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.900 -5.813 -0.374 1.00 0.00 H new ATOM 0 HG SER A 50 4.511 -6.656 1.067 1.00 0.00 H new ATOM 740 N TRP A 51 4.954 -4.958 -3.263 1.00 0.00 N ATOM 741 CA TRP A 51 4.186 -3.842 -3.788 1.00 0.00 C ATOM 742 C TRP A 51 3.804 -4.170 -5.233 1.00 0.00 C ATOM 743 O TRP A 51 2.838 -3.622 -5.764 1.00 0.00 O ATOM 744 CB TRP A 51 4.964 -2.532 -3.657 1.00 0.00 C ATOM 745 CG TRP A 51 5.043 -1.995 -2.227 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.982 -2.241 -1.304 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.103 -1.103 -1.591 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.717 -1.577 -0.124 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.538 -0.863 -0.304 1.00 0.00 C ATOM 750 CE3 TRP A 51 2.924 -0.519 -2.087 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.854 -0.036 0.595 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.252 0.305 -1.177 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.677 0.557 0.123 1.00 0.00 C ATOM 0 H TRP A 51 5.947 -4.939 -3.495 1.00 0.00 H new ATOM 0 HA TRP A 51 3.273 -3.696 -3.211 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.976 -2.683 -4.034 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.497 -1.779 -4.292 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.839 -2.879 -1.463 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.282 -1.605 0.725 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.565 -0.693 -3.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.215 0.135 1.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.339 0.778 -1.508 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.102 1.207 0.765 1.00 0.00 H new ATOM 764 N ASP A 52 4.581 -5.062 -5.829 1.00 0.00 N ATOM 765 CA ASP A 52 4.336 -5.468 -7.203 1.00 0.00 C ATOM 766 C ASP A 52 3.108 -6.381 -7.249 1.00 0.00 C ATOM 767 O ASP A 52 2.405 -6.431 -8.257 1.00 0.00 O ATOM 768 CB ASP A 52 5.526 -6.249 -7.767 1.00 0.00 C ATOM 769 CG ASP A 52 5.972 -5.823 -9.167 1.00 0.00 C ATOM 770 OD1 ASP A 52 6.557 -6.617 -9.919 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.691 -4.606 -9.482 1.00 0.00 O ATOM 0 H ASP A 52 5.380 -5.515 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 52 4.180 -4.568 -7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.369 -6.141 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.269 -7.308 -7.790 1.00 0.00 H new ATOM 777 N PRO A 53 2.882 -7.098 -6.115 1.00 0.00 N ATOM 778 CA PRO A 53 1.752 -8.006 -6.018 1.00 0.00 C ATOM 779 C PRO A 53 0.444 -7.233 -5.832 1.00 0.00 C ATOM 780 O PRO A 53 -0.611 -7.673 -6.287 1.00 0.00 O ATOM 781 CB PRO A 53 2.076 -8.914 -4.843 1.00 0.00 C ATOM 782 CG PRO A 53 3.148 -8.191 -4.042 1.00 0.00 C ATOM 783 CD PRO A 53 3.693 -7.063 -4.902 1.00 0.00 C ATOM 0 HA PRO A 53 1.602 -8.590 -6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.190 -9.097 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.433 -9.885 -5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.731 -7.797 -3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.946 -8.879 -3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.607 -6.102 -4.396 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.749 -7.211 -5.127 1.00 0.00 H new ATOM 791 N ILE A 54 0.555 -6.096 -5.161 1.00 0.00 N ATOM 792 CA ILE A 54 -0.606 -5.258 -4.909 1.00 0.00 C ATOM 793 C ILE A 54 -0.969 -4.499 -6.187 1.00 0.00 C ATOM 794 O ILE A 54 -2.119 -4.104 -6.373 1.00 0.00 O ATOM 795 CB ILE A 54 -0.359 -4.351 -3.704 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.552 -4.376 -2.745 1.00 0.00 C ATOM 797 CG2 ILE A 54 -0.014 -2.929 -4.149 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.061 -2.961 -2.464 1.00 0.00 C ATOM 0 H ILE A 54 1.431 -5.735 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.469 -5.870 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 54 0.502 -4.736 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.355 -4.976 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.261 -4.854 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.157 -2.305 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.887 -2.948 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.840 -2.519 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.908 -3.008 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.264 -2.370 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.374 -2.495 -3.398 1.00 0.00 H new ATOM 810 N THR A 55 0.034 -4.318 -7.034 1.00 0.00 N ATOM 811 CA THR A 55 -0.164 -3.612 -8.289 1.00 0.00 C ATOM 812 C THR A 55 -1.133 -4.385 -9.186 1.00 0.00 C ATOM 813 O THR A 55 -2.153 -3.847 -9.613 1.00 0.00 O ATOM 814 CB THR A 55 1.207 -3.388 -8.927 1.00 0.00 C ATOM 815 OG1 THR A 55 1.522 -2.035 -8.604 1.00 0.00 O ATOM 816 CG2 THR A 55 1.151 -3.402 -10.455 1.00 0.00 C ATOM 0 H THR A 55 0.986 -4.648 -6.876 1.00 0.00 H new ATOM 0 HA THR A 55 -0.625 -2.638 -8.127 1.00 0.00 H new ATOM 0 HB THR A 55 1.898 -4.157 -8.582 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.628 -1.518 -9.430 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.151 -3.238 -10.857 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.776 -4.367 -10.797 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.486 -2.611 -10.802 1.00 0.00 H new ATOM 824 N ALA A 56 -0.779 -5.635 -9.447 1.00 0.00 N ATOM 825 CA ALA A 56 -1.602 -6.487 -10.287 1.00 0.00 C ATOM 826 C ALA A 56 -2.830 -6.944 -9.495 1.00 0.00 C ATOM 827 O ALA A 56 -3.782 -7.470 -10.067 1.00 0.00 O ATOM 828 CB ALA A 56 -0.768 -7.662 -10.798 1.00 0.00 C ATOM 0 H ALA A 56 0.068 -6.078 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.957 -5.937 -11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.387 -8.301 -11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.074 -7.285 -11.379 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.395 -8.239 -9.952 1.00 0.00 H new ATOM 834 N ALA A 57 -2.766 -6.725 -8.189 1.00 0.00 N ATOM 835 CA ALA A 57 -3.859 -7.108 -7.312 1.00 0.00 C ATOM 836 C ALA A 57 -5.111 -6.312 -7.689 1.00 0.00 C ATOM 837 O ALA A 57 -6.027 -6.847 -8.313 1.00 0.00 O ATOM 838 CB ALA A 57 -3.446 -6.889 -5.855 1.00 0.00 C ATOM 0 H ALA A 57 -1.974 -6.287 -7.718 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.092 -8.166 -7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.266 -7.176 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.570 -7.497 -5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.207 -5.837 -5.699 1.00 0.00 H new ATOM 844 N LEU A 58 -5.112 -5.049 -7.293 1.00 0.00 N ATOM 845 CA LEU A 58 -6.236 -4.174 -7.581 1.00 0.00 C ATOM 846 C LEU A 58 -6.560 -4.241 -9.074 1.00 0.00 C ATOM 847 O LEU A 58 -7.727 -4.225 -9.462 1.00 0.00 O ATOM 848 CB LEU A 58 -5.956 -2.757 -7.077 1.00 0.00 C ATOM 849 CG LEU A 58 -4.910 -1.961 -7.859 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.549 -2.657 -7.819 1.00 0.00 C ATOM 851 CD2 LEU A 58 -5.379 -1.699 -9.290 1.00 0.00 C ATOM 0 H LEU A 58 -4.352 -4.609 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.125 -4.509 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.892 -2.198 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.634 -2.820 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.788 -0.991 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.824 -2.070 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.217 -2.748 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.635 -3.650 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.617 -1.131 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.547 -2.649 -9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.308 -1.130 -9.270 1.00 0.00 H new ATOM 863 N SER A 59 -5.505 -4.316 -9.873 1.00 0.00 N ATOM 864 CA SER A 59 -5.661 -4.387 -11.316 1.00 0.00 C ATOM 865 C SER A 59 -6.484 -5.620 -11.694 1.00 0.00 C ATOM 866 O SER A 59 -7.275 -5.579 -12.636 1.00 0.00 O ATOM 867 CB SER A 59 -4.302 -4.419 -12.018 1.00 0.00 C ATOM 868 OG SER A 59 -4.404 -4.065 -13.394 1.00 0.00 O ATOM 0 H SER A 59 -4.538 -4.329 -9.548 1.00 0.00 H new ATOM 0 HA SER A 59 -6.188 -3.492 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.619 -3.733 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.872 -5.417 -11.931 1.00 0.00 H new ATOM 0 HG SER A 59 -3.516 -4.096 -13.806 1.00 0.00 H new ATOM 874 N GLN A 60 -6.269 -6.688 -10.940 1.00 0.00 N ATOM 875 CA GLN A 60 -6.980 -7.932 -11.183 1.00 0.00 C ATOM 876 C GLN A 60 -8.463 -7.771 -10.842 1.00 0.00 C ATOM 877 O GLN A 60 -9.302 -8.528 -11.328 1.00 0.00 O ATOM 878 CB GLN A 60 -6.356 -9.084 -10.393 1.00 0.00 C ATOM 879 CG GLN A 60 -7.379 -10.196 -10.147 1.00 0.00 C ATOM 880 CD GLN A 60 -7.933 -10.734 -11.467 1.00 0.00 C ATOM 881 OE1 GLN A 60 -7.429 -10.452 -12.543 1.00 0.00 O ATOM 882 NE2 GLN A 60 -8.996 -11.520 -11.328 1.00 0.00 N ATOM 0 H GLN A 60 -5.612 -6.718 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.896 -8.175 -12.242 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.502 -9.484 -10.940 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.979 -8.714 -9.440 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.913 -11.007 -9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.196 -9.814 -9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.368 -11.716 -10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.440 -11.927 -12.151 1.00 0.00 H new ATOM 891 N ARG A 61 -8.740 -6.781 -10.005 1.00 0.00 N ATOM 892 CA ARG A 61 -10.107 -6.510 -9.594 1.00 0.00 C ATOM 893 C ARG A 61 -10.180 -5.186 -8.831 1.00 0.00 C ATOM 894 O ARG A 61 -10.402 -5.174 -7.621 1.00 0.00 O ATOM 895 CB ARG A 61 -10.646 -7.633 -8.704 1.00 0.00 C ATOM 896 CG ARG A 61 -9.666 -7.955 -7.574 1.00 0.00 C ATOM 897 CD ARG A 61 -9.958 -9.331 -6.970 1.00 0.00 C ATOM 898 NE ARG A 61 -10.723 -9.179 -5.713 1.00 0.00 N ATOM 899 CZ ARG A 61 -10.183 -8.783 -4.541 1.00 0.00 C ATOM 900 NH1 ARG A 61 -8.867 -8.494 -4.456 1.00 0.00 N ATOM 901 NH2 ARG A 61 -10.960 -8.682 -3.479 1.00 0.00 N ATOM 0 H ARG A 61 -8.041 -6.157 -9.601 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.718 -6.448 -10.494 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.608 -7.339 -8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.820 -8.526 -9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.645 -7.930 -7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.735 -7.192 -6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.523 -9.936 -7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.024 -9.858 -6.776 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.721 -9.387 -5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.273 -8.574 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.467 -8.195 -3.567 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.953 -8.902 -3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.567 -8.384 -2.586 1.00 0.00 H new ATOM 913 N ALA A 62 -9.987 -4.103 -9.569 1.00 0.00 N ATOM 914 CA ALA A 62 -10.028 -2.778 -8.978 1.00 0.00 C ATOM 915 C ALA A 62 -11.483 -2.390 -8.704 1.00 0.00 C ATOM 916 O ALA A 62 -11.753 -1.524 -7.874 1.00 0.00 O ATOM 917 CB ALA A 62 -9.325 -1.783 -9.904 1.00 0.00 C ATOM 0 H ALA A 62 -9.802 -4.117 -10.572 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.499 -2.767 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.356 -0.788 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.287 -2.086 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.830 -1.765 -10.870 1.00 0.00 H new ATOM 1040 N LEU A 71 -9.479 3.968 -7.316 1.00 0.00 N ATOM 1041 CA LEU A 71 -8.152 3.437 -7.054 1.00 0.00 C ATOM 1042 C LEU A 71 -7.247 4.564 -6.550 1.00 0.00 C ATOM 1043 O LEU A 71 -6.042 4.554 -6.800 1.00 0.00 O ATOM 1044 CB LEU A 71 -7.609 2.716 -8.289 1.00 0.00 C ATOM 1045 CG LEU A 71 -7.067 1.305 -8.057 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.190 0.268 -8.116 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.938 0.982 -9.039 1.00 0.00 C ATOM 0 HA LEU A 71 -8.191 2.684 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.405 2.661 -9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.813 3.324 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.643 1.264 -7.053 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.776 -0.726 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.930 0.488 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.666 0.302 -9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.571 -0.027 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.314 1.048 -10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.124 1.695 -8.905 1.00 0.00 H new ATOM 1059 N LYS A 72 -7.862 5.507 -5.853 1.00 0.00 N ATOM 1060 CA LYS A 72 -7.126 6.638 -5.313 1.00 0.00 C ATOM 1061 C LYS A 72 -6.154 6.145 -4.241 1.00 0.00 C ATOM 1062 O LYS A 72 -4.988 6.540 -4.225 1.00 0.00 O ATOM 1063 CB LYS A 72 -8.092 7.717 -4.818 1.00 0.00 C ATOM 1064 CG LYS A 72 -7.332 8.875 -4.167 1.00 0.00 C ATOM 1065 CD LYS A 72 -6.891 9.899 -5.213 1.00 0.00 C ATOM 1066 CE LYS A 72 -5.430 10.304 -5.002 1.00 0.00 C ATOM 1067 NZ LYS A 72 -5.094 11.485 -5.829 1.00 0.00 N ATOM 0 H LYS A 72 -8.861 5.512 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.527 7.110 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.685 8.090 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.789 7.285 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.966 9.359 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.459 8.491 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.016 9.481 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.529 10.781 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.257 10.529 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.775 9.473 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.099 11.746 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.240 11.258 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.707 12.282 -5.562 1.00 0.00 H new ATOM 1080 N THR A 73 -6.666 5.286 -3.372 1.00 0.00 N ATOM 1081 CA THR A 73 -5.859 4.733 -2.298 1.00 0.00 C ATOM 1082 C THR A 73 -4.662 3.969 -2.871 1.00 0.00 C ATOM 1083 O THR A 73 -3.534 4.141 -2.414 1.00 0.00 O ATOM 1084 CB THR A 73 -6.765 3.872 -1.418 1.00 0.00 C ATOM 1085 OG1 THR A 73 -7.673 3.273 -2.337 1.00 0.00 O ATOM 1086 CG2 THR A 73 -7.659 4.710 -0.502 1.00 0.00 C ATOM 0 H THR A 73 -7.632 4.959 -3.390 1.00 0.00 H new ATOM 0 HA THR A 73 -5.435 5.521 -1.676 1.00 0.00 H new ATOM 0 HB THR A 73 -6.154 3.202 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.297 2.695 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.282 4.050 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.038 5.321 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.295 5.357 -1.107 1.00 0.00 H new ATOM 1094 N TRP A 74 -4.952 3.140 -3.864 1.00 0.00 N ATOM 1095 CA TRP A 74 -3.915 2.348 -4.504 1.00 0.00 C ATOM 1096 C TRP A 74 -2.852 3.307 -5.042 1.00 0.00 C ATOM 1097 O TRP A 74 -1.683 2.940 -5.166 1.00 0.00 O ATOM 1098 CB TRP A 74 -4.506 1.443 -5.587 1.00 0.00 C ATOM 1099 CG TRP A 74 -3.465 0.621 -6.348 1.00 0.00 C ATOM 1100 CD1 TRP A 74 -2.791 -0.456 -5.922 1.00 0.00 C ATOM 1101 CD2 TRP A 74 -3.000 0.857 -7.694 1.00 0.00 C ATOM 1102 NE1 TRP A 74 -1.932 -0.931 -6.891 1.00 0.00 N ATOM 1103 CE2 TRP A 74 -2.063 -0.109 -8.003 1.00 0.00 C ATOM 1104 CE3 TRP A 74 -3.361 1.851 -8.621 1.00 0.00 C ATOM 1105 CZ2 TRP A 74 -1.408 -0.172 -9.238 1.00 0.00 C ATOM 1106 CZ3 TRP A 74 -2.699 1.772 -9.851 1.00 0.00 C ATOM 1107 CH2 TRP A 74 -1.751 0.808 -10.178 1.00 0.00 C ATOM 0 H TRP A 74 -5.890 3.000 -4.241 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.446 1.675 -3.786 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.224 0.764 -5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.059 2.058 -6.298 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.906 -0.897 -4.943 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.314 -1.738 -6.806 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.092 2.615 -8.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.676 -0.936 -9.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.941 2.512 -10.600 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.282 0.815 -11.151 1.00 0.00 H new ATOM 1118 N GLY A 75 -3.293 4.519 -5.347 1.00 0.00 N ATOM 1119 CA GLY A 75 -2.394 5.535 -5.867 1.00 0.00 C ATOM 1120 C GLY A 75 -1.306 5.879 -4.848 1.00 0.00 C ATOM 1121 O GLY A 75 -0.120 5.694 -5.115 1.00 0.00 O ATOM 0 H GLY A 75 -4.262 4.820 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.934 5.181 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.960 6.433 -6.117 1.00 0.00 H new ATOM 1125 N LEU A 76 -1.750 6.374 -3.702 1.00 0.00 N ATOM 1126 CA LEU A 76 -0.829 6.746 -2.641 1.00 0.00 C ATOM 1127 C LEU A 76 -0.043 5.512 -2.198 1.00 0.00 C ATOM 1128 O LEU A 76 1.172 5.579 -2.009 1.00 0.00 O ATOM 1129 CB LEU A 76 -1.577 7.440 -1.501 1.00 0.00 C ATOM 1130 CG LEU A 76 -0.781 8.482 -0.712 1.00 0.00 C ATOM 1131 CD1 LEU A 76 -1.714 9.436 0.035 1.00 0.00 C ATOM 1132 CD2 LEU A 76 0.222 7.809 0.225 1.00 0.00 C ATOM 0 H LEU A 76 -2.735 6.526 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.103 7.473 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.461 7.925 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.928 6.677 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.209 9.082 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.122 10.166 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.353 9.954 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.333 8.869 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.775 8.571 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.310 7.169 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.918 7.206 -0.359 1.00 0.00 H new ATOM 1144 N VAL A 77 -0.765 4.412 -2.045 1.00 0.00 N ATOM 1145 CA VAL A 77 -0.150 3.164 -1.628 1.00 0.00 C ATOM 1146 C VAL A 77 0.799 2.676 -2.725 1.00 0.00 C ATOM 1147 O VAL A 77 1.991 2.494 -2.482 1.00 0.00 O ATOM 1148 CB VAL A 77 -1.231 2.140 -1.274 1.00 0.00 C ATOM 1149 CG1 VAL A 77 -1.694 1.379 -2.519 1.00 0.00 C ATOM 1150 CG2 VAL A 77 -0.740 1.175 -0.193 1.00 0.00 C ATOM 0 H VAL A 77 -1.771 4.359 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 77 0.444 3.314 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.088 2.682 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.462 0.658 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.103 2.082 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.847 0.854 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.527 0.458 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.140 0.643 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.483 1.736 0.706 1.00 0.00 H new ATOM 1160 N LEU A 78 0.235 2.479 -3.906 1.00 0.00 N ATOM 1161 CA LEU A 78 1.016 2.016 -5.041 1.00 0.00 C ATOM 1162 C LEU A 78 1.948 3.138 -5.505 1.00 0.00 C ATOM 1163 O LEU A 78 3.166 2.973 -5.516 1.00 0.00 O ATOM 1164 CB LEU A 78 0.097 1.485 -6.144 1.00 0.00 C ATOM 1165 CG LEU A 78 0.654 0.331 -6.981 1.00 0.00 C ATOM 1166 CD1 LEU A 78 2.016 0.694 -7.577 1.00 0.00 C ATOM 1167 CD2 LEU A 78 0.710 -0.962 -6.166 1.00 0.00 C ATOM 0 H LEU A 78 -0.754 2.631 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 78 1.647 1.176 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.837 1.158 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.148 2.309 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.026 0.155 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.390 -0.143 -8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.911 1.571 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.718 0.913 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.110 -1.765 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.354 -0.818 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.294 -1.226 -5.833 1.00 0.00 H new ATOM 1179 N GLY A 79 1.339 4.255 -5.875 1.00 0.00 N ATOM 1180 CA GLY A 79 2.099 5.403 -6.337 1.00 0.00 C ATOM 1181 C GLY A 79 3.436 5.509 -5.602 1.00 0.00 C ATOM 1182 O GLY A 79 4.422 5.982 -6.165 1.00 0.00 O ATOM 0 H GLY A 79 0.328 4.389 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.275 5.319 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.521 6.313 -6.180 1.00 0.00 H new ATOM 1186 N ALA A 80 3.427 5.060 -4.357 1.00 0.00 N ATOM 1187 CA ALA A 80 4.627 5.097 -3.539 1.00 0.00 C ATOM 1188 C ALA A 80 5.629 4.065 -4.061 1.00 0.00 C ATOM 1189 O ALA A 80 6.803 4.375 -4.249 1.00 0.00 O ATOM 1190 CB ALA A 80 4.255 4.857 -2.073 1.00 0.00 C ATOM 0 H ALA A 80 2.607 4.668 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 80 5.101 6.077 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.156 4.885 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.566 5.633 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.778 3.882 -1.974 1.00 0.00 H new ATOM 1196 N LEU A 81 5.126 2.859 -4.284 1.00 0.00 N ATOM 1197 CA LEU A 81 5.962 1.780 -4.781 1.00 0.00 C ATOM 1198 C LEU A 81 6.690 2.246 -6.043 1.00 0.00 C ATOM 1199 O LEU A 81 7.885 2.001 -6.202 1.00 0.00 O ATOM 1200 CB LEU A 81 5.133 0.510 -4.983 1.00 0.00 C ATOM 1201 CG LEU A 81 5.618 -0.440 -6.079 1.00 0.00 C ATOM 1202 CD1 LEU A 81 6.899 -1.161 -5.654 1.00 0.00 C ATOM 1203 CD2 LEU A 81 4.515 -1.422 -6.481 1.00 0.00 C ATOM 0 H LEU A 81 4.150 2.606 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 81 6.726 1.521 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.108 -0.037 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.108 0.802 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 81 5.860 0.153 -6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.222 -1.830 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.681 -0.428 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.708 -1.740 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.886 -2.086 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.219 -2.012 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.654 -0.869 -6.855 1.00 0.00 H new ATOM 1215 N LYS A 82 5.939 2.910 -6.911 1.00 0.00 N ATOM 1216 CA LYS A 82 6.497 3.413 -8.154 1.00 0.00 C ATOM 1217 C LYS A 82 7.452 4.569 -7.849 1.00 0.00 C ATOM 1218 O LYS A 82 8.351 4.860 -8.635 1.00 0.00 O ATOM 1219 CB LYS A 82 5.382 3.780 -9.134 1.00 0.00 C ATOM 1220 CG LYS A 82 4.942 2.558 -9.944 1.00 0.00 C ATOM 1221 CD LYS A 82 4.793 1.329 -9.047 1.00 0.00 C ATOM 1222 CE LYS A 82 3.966 0.242 -9.737 1.00 0.00 C ATOM 1223 NZ LYS A 82 4.812 -0.538 -10.669 1.00 0.00 N ATOM 0 H LYS A 82 4.948 3.111 -6.777 1.00 0.00 H new ATOM 0 HA LYS A 82 7.082 2.637 -8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.530 4.185 -8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.729 4.563 -9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.994 2.768 -10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.672 2.354 -10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.778 0.936 -8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.315 1.614 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.530 -0.421 -8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.138 0.697 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.236 -1.272 -11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.208 0.096 -11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.587 -0.987 -10.141 1.00 0.00 H new ATOM 1236 N ALA A 83 7.223 5.198 -6.705 1.00 0.00 N ATOM 1237 CA ALA A 83 8.050 6.316 -6.286 1.00 0.00 C ATOM 1238 C ALA A 83 9.448 5.805 -5.931 1.00 0.00 C ATOM 1239 O ALA A 83 10.442 6.489 -6.170 1.00 0.00 O ATOM 1240 CB ALA A 83 7.379 7.038 -5.116 1.00 0.00 C ATOM 0 H ALA A 83 6.476 4.954 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 83 8.158 7.038 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.000 7.877 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.402 7.407 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.256 6.346 -4.283 1.00 0.00 H new ATOM 1246 N ALA A 84 9.479 4.608 -5.364 1.00 0.00 N ATOM 1247 CA ALA A 84 10.739 3.997 -4.974 1.00 0.00 C ATOM 1248 C ALA A 84 11.581 3.732 -6.223 1.00 0.00 C ATOM 1249 O ALA A 84 12.756 4.093 -6.273 1.00 0.00 O ATOM 1250 CB ALA A 84 10.464 2.722 -4.175 1.00 0.00 C ATOM 0 H ALA A 84 8.652 4.045 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 84 11.307 4.668 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.409 2.265 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.889 2.969 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.897 2.023 -4.790 1.00 0.00 H new ATOM 1256 N ARG A 85 10.948 3.103 -7.203 1.00 0.00 N ATOM 1257 CA ARG A 85 11.623 2.785 -8.449 1.00 0.00 C ATOM 1258 C ARG A 85 11.883 4.061 -9.253 1.00 0.00 C ATOM 1259 O ARG A 85 12.688 4.061 -10.182 1.00 0.00 O ATOM 1260 CB ARG A 85 10.794 1.816 -9.293 1.00 0.00 C ATOM 1261 CG ARG A 85 11.470 0.447 -9.382 1.00 0.00 C ATOM 1262 CD ARG A 85 12.556 0.440 -10.461 1.00 0.00 C ATOM 1263 NE ARG A 85 13.830 -0.056 -9.894 1.00 0.00 N ATOM 1264 CZ ARG A 85 14.125 -1.362 -9.724 1.00 0.00 C ATOM 1265 NH1 ARG A 85 13.239 -2.316 -10.077 1.00 0.00 N ATOM 1266 NH2 ARG A 85 15.295 -1.690 -9.208 1.00 0.00 N ATOM 0 H ARG A 85 9.974 2.805 -7.158 1.00 0.00 H new ATOM 0 HA ARG A 85 12.572 2.310 -8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.801 1.707 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.659 2.225 -10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.909 0.191 -8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.725 -0.316 -9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.249 -0.192 -11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.692 1.446 -10.858 1.00 0.00 H new ATOM 0 HE ARG A 85 14.529 0.632 -9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.338 -2.053 -10.476 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.470 -3.301 -9.945 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.959 -0.961 -8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.535 -2.672 -9.072 1.00 0.00 H new ATOM 1278 N GLU A 86 11.182 5.118 -8.867 1.00 0.00 N ATOM 1279 CA GLU A 86 11.327 6.397 -9.540 1.00 0.00 C ATOM 1280 C GLU A 86 12.535 7.156 -8.985 1.00 0.00 C ATOM 1281 O GLU A 86 13.316 7.727 -9.745 1.00 0.00 O ATOM 1282 CB GLU A 86 10.049 7.231 -9.413 1.00 0.00 C ATOM 1283 CG GLU A 86 10.128 8.487 -10.282 1.00 0.00 C ATOM 1284 CD GLU A 86 8.960 9.431 -9.986 1.00 0.00 C ATOM 1285 OE1 GLU A 86 7.832 9.184 -10.438 1.00 0.00 O ATOM 1286 OE2 GLU A 86 9.256 10.452 -9.256 1.00 0.00 O ATOM 0 H GLU A 86 10.513 5.114 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 86 11.497 6.210 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.188 6.632 -9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.896 7.514 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.072 9.001 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.116 8.207 -11.335 1.00 0.00 H new ATOM 1294 N GLU A 87 12.649 7.139 -7.666 1.00 0.00 N ATOM 1295 CA GLU A 87 13.748 7.819 -7.001 1.00 0.00 C ATOM 1296 C GLU A 87 13.751 9.304 -7.365 1.00 0.00 C ATOM 1297 O GLU A 87 12.800 9.801 -7.967 1.00 0.00 O ATOM 1298 CB GLU A 87 15.087 7.166 -7.349 1.00 0.00 C ATOM 1299 CG GLU A 87 15.637 6.375 -6.161 1.00 0.00 C ATOM 1300 CD GLU A 87 16.376 5.120 -6.632 1.00 0.00 C ATOM 1301 OE1 GLU A 87 17.036 5.147 -7.681 1.00 0.00 O ATOM 1302 OE2 GLU A 87 16.244 4.090 -5.866 1.00 0.00 O ATOM 0 H GLU A 87 11.999 6.665 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 87 13.607 7.730 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.961 6.503 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.804 7.933 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.314 7.004 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.819 6.092 -5.498 1.00 0.00 H new