USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 48 LYS NZ :NH3+ -119:sc= 0.857 (180deg=0.807) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0.474 USER MOD Set 2.1: A 7 THR OG1 : rot -147:sc= 1.18 USER MOD Set 2.2: A 9 THR OG1 : rot -18:sc= 0.77 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.037 (180deg=-0.037) USER MOD Single : A 1 MET N :NH3+ 171:sc= 2.23 (180deg=1.91) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.858 USER MOD Single : A 20 SER OG : rot 83:sc= 0.296 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 25 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= -1.2 (180deg=-1.2) USER MOD Single : A 29 LYS NZ :NH3+ -145:sc= 0.343 (180deg=-2.8!) USER MOD Single : A 31 GLN : amide:sc= -2.99! C(o=-3!,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.01! C(o=-2!,f=-6.8!) USER MOD Single : A 41 GLN : amide:sc= -4.32! C(o=-4.3!,f=-18!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -140:sc= -0.0774 USER MOD Single : A 60 ASN : amide:sc= -0.385 X(o=-0.38,f=-0.38) USER MOD Single : A 62 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.044) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 129:sc= 0.625 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.319 K(o=-0.32,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.903 -10.705 -2.266 1.00 0.00 N ATOM 2 CA MET A 1 52.566 -11.054 -0.979 1.00 0.00 C ATOM 3 C MET A 1 52.934 -9.775 -0.234 1.00 0.00 C ATOM 4 O MET A 1 52.759 -8.673 -0.752 1.00 0.00 O ATOM 5 CB MET A 1 53.828 -11.873 -1.264 1.00 0.00 C ATOM 6 CG MET A 1 53.496 -13.365 -1.197 1.00 0.00 C ATOM 7 SD MET A 1 54.869 -14.319 -1.888 1.00 0.00 S ATOM 8 CE MET A 1 53.875 -15.455 -2.886 1.00 0.00 C ATOM 0 H1 MET A 1 51.789 -11.563 -2.842 1.00 0.00 H new ATOM 0 H2 MET A 1 50.969 -10.291 -2.074 1.00 0.00 H new ATOM 0 H3 MET A 1 52.487 -10.017 -2.782 1.00 0.00 H new ATOM 0 HA MET A 1 51.886 -11.643 -0.363 1.00 0.00 H new ATOM 0 HB2 MET A 1 54.223 -11.622 -2.248 1.00 0.00 H new ATOM 0 HB3 MET A 1 54.604 -11.630 -0.538 1.00 0.00 H new ATOM 0 HG2 MET A 1 53.316 -13.662 -0.164 1.00 0.00 H new ATOM 0 HG3 MET A 1 52.581 -13.570 -1.752 1.00 0.00 H new ATOM 0 HE1 MET A 1 54.532 -16.148 -3.411 1.00 0.00 H new ATOM 0 HE2 MET A 1 53.201 -16.014 -2.237 1.00 0.00 H new ATOM 0 HE3 MET A 1 53.292 -14.887 -3.612 1.00 0.00 H new ATOM 20 N GLN A 2 53.444 -9.932 0.984 1.00 0.00 N ATOM 21 CA GLN A 2 53.833 -8.781 1.791 1.00 0.00 C ATOM 22 C GLN A 2 55.165 -9.042 2.488 1.00 0.00 C ATOM 23 O GLN A 2 55.403 -10.137 2.998 1.00 0.00 O ATOM 24 CB GLN A 2 52.756 -8.489 2.837 1.00 0.00 C ATOM 25 CG GLN A 2 51.537 -7.866 2.154 1.00 0.00 C ATOM 26 CD GLN A 2 50.454 -7.569 3.187 1.00 0.00 C ATOM 27 OE1 GLN A 2 50.036 -8.464 3.922 1.00 0.00 O ATOM 28 NE2 GLN A 2 49.975 -6.360 3.288 1.00 0.00 N ATOM 0 H GLN A 2 53.596 -10.836 1.430 1.00 0.00 H new ATOM 0 HA GLN A 2 53.943 -7.919 1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 2 52.470 -9.409 3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 2 53.146 -7.812 3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.826 -6.947 1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 2 51.150 -8.544 1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 2 50.323 -5.621 2.678 1.00 0.00 H new ATOM 0 HE22 GLN A 2 49.252 -6.154 3.977 1.00 0.00 H new ATOM 37 N ILE A 3 56.026 -8.029 2.508 1.00 0.00 N ATOM 38 CA ILE A 3 57.332 -8.155 3.146 1.00 0.00 C ATOM 39 C ILE A 3 57.604 -6.961 4.055 1.00 0.00 C ATOM 40 O ILE A 3 56.830 -6.004 4.081 1.00 0.00 O ATOM 41 CB ILE A 3 58.426 -8.247 2.083 1.00 0.00 C ATOM 42 CG1 ILE A 3 58.328 -7.041 1.146 1.00 0.00 C ATOM 43 CG2 ILE A 3 58.248 -9.534 1.276 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.454 -7.110 0.116 1.00 0.00 C ATOM 0 H ILE A 3 55.844 -7.116 2.092 1.00 0.00 H new ATOM 0 HA ILE A 3 57.333 -9.063 3.749 1.00 0.00 H new ATOM 0 HB ILE A 3 59.403 -8.254 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.360 -7.033 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 3 58.398 -6.115 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 3 59.029 -9.599 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 3 58.317 -10.394 1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 3 57.272 -9.528 0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.388 -6.252 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 3 60.416 -7.097 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 3 59.362 -8.030 -0.462 1.00 0.00 H new ATOM 56 N PHE A 4 58.707 -7.026 4.794 1.00 0.00 N ATOM 57 CA PHE A 4 59.079 -5.945 5.702 1.00 0.00 C ATOM 58 C PHE A 4 60.516 -5.502 5.447 1.00 0.00 C ATOM 59 O PHE A 4 61.398 -6.329 5.226 1.00 0.00 O ATOM 60 CB PHE A 4 58.944 -6.410 7.154 1.00 0.00 C ATOM 61 CG PHE A 4 57.483 -6.574 7.502 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.644 -5.453 7.547 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.967 -7.845 7.782 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.291 -5.604 7.871 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.614 -7.995 8.106 1.00 0.00 C ATOM 66 CZ PHE A 4 54.776 -6.875 8.152 1.00 0.00 C ATOM 0 H PHE A 4 59.357 -7.812 4.783 1.00 0.00 H new ATOM 0 HA PHE A 4 58.410 -5.103 5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.469 -7.355 7.294 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.408 -5.685 7.823 1.00 0.00 H new ATOM 0 HD1 PHE A 4 57.041 -4.472 7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 4 57.613 -8.710 7.748 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.644 -4.740 7.904 1.00 0.00 H new ATOM 0 HE2 PHE A 4 55.216 -8.976 8.321 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.732 -6.991 8.404 1.00 0.00 H new ATOM 76 N VAL A 5 60.739 -4.189 5.482 1.00 0.00 N ATOM 77 CA VAL A 5 62.071 -3.638 5.258 1.00 0.00 C ATOM 78 C VAL A 5 62.501 -2.788 6.450 1.00 0.00 C ATOM 79 O VAL A 5 61.830 -1.820 6.808 1.00 0.00 O ATOM 80 CB VAL A 5 62.080 -2.782 3.990 1.00 0.00 C ATOM 81 CG1 VAL A 5 63.380 -1.978 3.929 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.989 -3.691 2.763 1.00 0.00 C ATOM 0 H VAL A 5 60.017 -3.491 5.663 1.00 0.00 H new ATOM 0 HA VAL A 5 62.771 -4.465 5.139 1.00 0.00 H new ATOM 0 HB VAL A 5 61.229 -2.101 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 5 63.388 -1.367 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.450 -1.332 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.230 -2.661 3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.995 -3.083 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 5 62.841 -4.370 2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 5 61.065 -4.268 2.806 1.00 0.00 H new ATOM 92 N LYS A 6 63.622 -3.158 7.062 1.00 0.00 N ATOM 93 CA LYS A 6 64.129 -2.424 8.216 1.00 0.00 C ATOM 94 C LYS A 6 65.219 -1.445 7.794 1.00 0.00 C ATOM 95 O LYS A 6 66.192 -1.826 7.142 1.00 0.00 O ATOM 96 CB LYS A 6 64.691 -3.403 9.250 1.00 0.00 C ATOM 97 CG LYS A 6 64.917 -2.676 10.575 1.00 0.00 C ATOM 98 CD LYS A 6 66.318 -2.994 11.098 1.00 0.00 C ATOM 99 CE LYS A 6 66.446 -2.514 12.546 1.00 0.00 C ATOM 100 NZ LYS A 6 67.801 -1.931 12.757 1.00 0.00 N ATOM 0 H LYS A 6 64.193 -3.955 6.781 1.00 0.00 H new ATOM 0 HA LYS A 6 63.305 -1.862 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 6 64.000 -4.233 9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.629 -3.827 8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 6 64.804 -1.601 10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 6 64.167 -2.983 11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 6 66.503 -4.067 11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 6 67.069 -2.508 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 6 65.680 -1.769 12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 6 66.285 -3.346 13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 67.889 -1.605 13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 68.524 -2.654 12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 67.937 -1.127 12.112 1.00 0.00 H new ATOM 114 N THR A 7 65.052 -0.182 8.173 1.00 0.00 N ATOM 115 CA THR A 7 66.030 0.844 7.829 1.00 0.00 C ATOM 116 C THR A 7 66.935 1.140 9.021 1.00 0.00 C ATOM 117 O THR A 7 66.886 0.447 10.037 1.00 0.00 O ATOM 118 CB THR A 7 65.312 2.128 7.400 1.00 0.00 C ATOM 119 OG1 THR A 7 64.704 2.729 8.534 1.00 0.00 O ATOM 120 CG2 THR A 7 64.240 1.792 6.362 1.00 0.00 C ATOM 0 H THR A 7 64.255 0.154 8.714 1.00 0.00 H new ATOM 0 HA THR A 7 66.641 0.476 7.004 1.00 0.00 H new ATOM 0 HB THR A 7 66.032 2.820 6.964 1.00 0.00 H new ATOM 0 HG1 THR A 7 63.877 3.178 8.262 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.730 2.706 6.057 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.708 1.330 5.492 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.518 1.100 6.796 1.00 0.00 H new ATOM 128 N LEU A 8 67.759 2.174 8.888 1.00 0.00 N ATOM 129 CA LEU A 8 68.671 2.553 9.963 1.00 0.00 C ATOM 130 C LEU A 8 67.938 3.369 11.022 1.00 0.00 C ATOM 131 O LEU A 8 68.501 3.692 12.069 1.00 0.00 O ATOM 132 CB LEU A 8 69.836 3.373 9.399 1.00 0.00 C ATOM 133 CG LEU A 8 70.542 2.583 8.295 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.676 3.427 7.709 1.00 0.00 C ATOM 135 CD2 LEU A 8 71.122 1.288 8.874 1.00 0.00 C ATOM 0 H LEU A 8 67.815 2.760 8.055 1.00 0.00 H new ATOM 0 HA LEU A 8 69.058 1.644 10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.468 4.319 9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.542 3.613 10.194 1.00 0.00 H new ATOM 0 HG LEU A 8 69.823 2.340 7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 8 72.179 2.865 6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.267 4.347 7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 8 72.391 3.671 8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 8 71.624 0.729 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 8 71.839 1.529 9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 8 70.317 0.683 9.291 1.00 0.00 H new ATOM 147 N THR A 9 66.682 3.698 10.743 1.00 0.00 N ATOM 148 CA THR A 9 65.881 4.478 11.682 1.00 0.00 C ATOM 149 C THR A 9 64.960 3.568 12.487 1.00 0.00 C ATOM 150 O THR A 9 64.220 4.031 13.356 1.00 0.00 O ATOM 151 CB THR A 9 65.046 5.510 10.921 1.00 0.00 C ATOM 152 OG1 THR A 9 64.175 4.841 10.020 1.00 0.00 O ATOM 153 CG2 THR A 9 65.971 6.446 10.141 1.00 0.00 C ATOM 0 H THR A 9 66.199 3.440 9.883 1.00 0.00 H new ATOM 0 HA THR A 9 66.555 4.990 12.369 1.00 0.00 H new ATOM 0 HB THR A 9 64.458 6.094 11.629 1.00 0.00 H new ATOM 0 HG1 THR A 9 64.492 3.925 9.878 1.00 0.00 H new ATOM 0 HG21 THR A 9 65.374 7.180 9.600 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.637 6.960 10.834 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.562 5.866 9.432 1.00 0.00 H new ATOM 161 N GLY A 10 65.011 2.272 12.193 1.00 0.00 N ATOM 162 CA GLY A 10 64.175 1.307 12.898 1.00 0.00 C ATOM 163 C GLY A 10 62.794 1.210 12.258 1.00 0.00 C ATOM 164 O GLY A 10 62.101 0.205 12.404 1.00 0.00 O ATOM 0 H GLY A 10 65.617 1.869 11.478 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.655 0.328 12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.076 1.601 13.943 1.00 0.00 H new ATOM 168 N LYS A 11 62.401 2.265 11.551 1.00 0.00 N ATOM 169 CA LYS A 11 61.101 2.289 10.893 1.00 0.00 C ATOM 170 C LYS A 11 60.980 1.141 9.895 1.00 0.00 C ATOM 171 O LYS A 11 61.796 1.012 8.983 1.00 0.00 O ATOM 172 CB LYS A 11 60.907 3.620 10.165 1.00 0.00 C ATOM 173 CG LYS A 11 59.434 3.788 9.784 1.00 0.00 C ATOM 174 CD LYS A 11 59.334 4.313 8.352 1.00 0.00 C ATOM 175 CE LYS A 11 57.866 4.562 8.001 1.00 0.00 C ATOM 176 NZ LYS A 11 57.456 5.904 8.505 1.00 0.00 N ATOM 0 H LYS A 11 62.960 3.108 11.420 1.00 0.00 H new ATOM 0 HA LYS A 11 60.330 2.175 11.655 1.00 0.00 H new ATOM 0 HB2 LYS A 11 61.224 4.445 10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.530 3.651 9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 11 58.914 2.834 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 11 58.946 4.480 10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 11 59.905 5.236 8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 11 59.768 3.593 7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 11 57.725 4.508 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 11 57.239 3.788 8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.458 6.074 8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 57.576 5.939 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 58.047 6.636 8.063 1.00 0.00 H new ATOM 190 N THR A 12 59.961 0.308 10.077 1.00 0.00 N ATOM 191 CA THR A 12 59.746 -0.825 9.185 1.00 0.00 C ATOM 192 C THR A 12 58.773 -0.452 8.069 1.00 0.00 C ATOM 193 O THR A 12 57.676 0.041 8.330 1.00 0.00 O ATOM 194 CB THR A 12 59.191 -2.015 9.973 1.00 0.00 C ATOM 195 OG1 THR A 12 59.815 -2.067 11.248 1.00 0.00 O ATOM 196 CG2 THR A 12 59.475 -3.311 9.210 1.00 0.00 C ATOM 0 H THR A 12 59.276 0.395 10.828 1.00 0.00 H new ATOM 0 HA THR A 12 60.703 -1.099 8.741 1.00 0.00 H new ATOM 0 HB THR A 12 58.115 -1.899 10.099 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.460 -2.827 11.755 1.00 0.00 H new ATOM 0 HG21 THR A 12 59.080 -4.158 9.771 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.997 -3.269 8.231 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.551 -3.430 9.083 1.00 0.00 H new ATOM 204 N ILE A 13 59.186 -0.693 6.829 1.00 0.00 N ATOM 205 CA ILE A 13 58.347 -0.381 5.676 1.00 0.00 C ATOM 206 C ILE A 13 57.779 -1.660 5.068 1.00 0.00 C ATOM 207 O ILE A 13 58.514 -2.614 4.815 1.00 0.00 O ATOM 208 CB ILE A 13 59.165 0.364 4.621 1.00 0.00 C ATOM 209 CG1 ILE A 13 60.397 0.991 5.277 1.00 0.00 C ATOM 210 CG2 ILE A 13 58.308 1.464 3.992 1.00 0.00 C ATOM 211 CD1 ILE A 13 61.129 1.869 4.260 1.00 0.00 C ATOM 0 H ILE A 13 60.091 -1.101 6.597 1.00 0.00 H new ATOM 0 HA ILE A 13 57.523 0.250 6.010 1.00 0.00 H new ATOM 0 HB ILE A 13 59.482 -0.337 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 13 60.099 1.587 6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 13 61.063 0.210 5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.892 1.995 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 13 57.431 1.018 3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.990 2.164 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 13 62.006 2.315 4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 13 61.441 1.260 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 13 60.462 2.659 3.914 1.00 0.00 H new ATOM 223 N THR A 14 56.469 -1.671 4.835 1.00 0.00 N ATOM 224 CA THR A 14 55.819 -2.840 4.256 1.00 0.00 C ATOM 225 C THR A 14 55.467 -2.589 2.792 1.00 0.00 C ATOM 226 O THR A 14 54.693 -1.685 2.477 1.00 0.00 O ATOM 227 CB THR A 14 54.545 -3.169 5.038 1.00 0.00 C ATOM 228 OG1 THR A 14 54.758 -2.904 6.418 1.00 0.00 O ATOM 229 CG2 THR A 14 54.193 -4.645 4.849 1.00 0.00 C ATOM 0 H THR A 14 55.843 -0.891 5.036 1.00 0.00 H new ATOM 0 HA THR A 14 56.510 -3.681 4.313 1.00 0.00 H new ATOM 0 HB THR A 14 53.724 -2.553 4.671 1.00 0.00 H new ATOM 0 HG1 THR A 14 55.382 -3.564 6.785 1.00 0.00 H new ATOM 0 HG21 THR A 14 53.286 -4.877 5.407 1.00 0.00 H new ATOM 0 HG22 THR A 14 54.030 -4.848 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 14 55.012 -5.264 5.215 1.00 0.00 H new ATOM 237 N LEU A 15 56.042 -3.399 1.907 1.00 0.00 N ATOM 238 CA LEU A 15 55.789 -3.271 0.476 1.00 0.00 C ATOM 239 C LEU A 15 55.068 -4.511 -0.042 1.00 0.00 C ATOM 240 O LEU A 15 55.272 -5.613 0.465 1.00 0.00 O ATOM 241 CB LEU A 15 57.105 -3.097 -0.298 1.00 0.00 C ATOM 242 CG LEU A 15 57.936 -1.931 0.273 1.00 0.00 C ATOM 243 CD1 LEU A 15 57.071 -0.672 0.373 1.00 0.00 C ATOM 244 CD2 LEU A 15 58.480 -2.283 1.665 1.00 0.00 C ATOM 0 H LEU A 15 56.686 -4.150 2.156 1.00 0.00 H new ATOM 0 HA LEU A 15 55.166 -2.390 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 15 57.684 -4.019 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 15 56.890 -2.913 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 15 58.774 -1.749 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 15 57.666 0.147 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 15 56.707 -0.401 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 15 56.224 -0.864 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 15 59.064 -1.447 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 15 57.649 -2.486 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.115 -3.166 1.595 1.00 0.00 H new ATOM 256 N GLU A 16 54.231 -4.323 -1.057 1.00 0.00 N ATOM 257 CA GLU A 16 53.490 -5.438 -1.636 1.00 0.00 C ATOM 258 C GLU A 16 54.126 -5.870 -2.952 1.00 0.00 C ATOM 259 O GLU A 16 54.345 -5.054 -3.845 1.00 0.00 O ATOM 260 CB GLU A 16 52.036 -5.027 -1.881 1.00 0.00 C ATOM 261 CG GLU A 16 51.311 -6.142 -2.637 1.00 0.00 C ATOM 262 CD GLU A 16 51.330 -5.854 -4.134 1.00 0.00 C ATOM 263 OE1 GLU A 16 52.170 -6.419 -4.816 1.00 0.00 O ATOM 264 OE2 GLU A 16 50.505 -5.072 -4.577 1.00 0.00 O ATOM 0 H GLU A 16 54.050 -3.419 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 16 53.517 -6.274 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.537 -4.833 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.000 -4.101 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.790 -7.100 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.282 -6.221 -2.286 1.00 0.00 H new ATOM 271 N VAL A 17 54.426 -7.161 -3.060 1.00 0.00 N ATOM 272 CA VAL A 17 55.043 -7.694 -4.270 1.00 0.00 C ATOM 273 C VAL A 17 54.585 -9.128 -4.516 1.00 0.00 C ATOM 274 O VAL A 17 53.935 -9.736 -3.666 1.00 0.00 O ATOM 275 CB VAL A 17 56.566 -7.661 -4.135 1.00 0.00 C ATOM 276 CG1 VAL A 17 57.021 -6.235 -3.812 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.998 -8.600 -3.005 1.00 0.00 C ATOM 0 H VAL A 17 54.254 -7.853 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 17 54.738 -7.076 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 17 57.020 -7.984 -5.072 1.00 0.00 H new ATOM 0 HG11 VAL A 17 58.107 -6.212 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 17 56.714 -5.564 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 17 56.567 -5.912 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 17 58.083 -8.577 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 17 56.543 -8.276 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 17 56.675 -9.616 -3.233 1.00 0.00 H new ATOM 287 N GLU A 18 54.929 -9.662 -5.684 1.00 0.00 N ATOM 288 CA GLU A 18 54.548 -11.027 -6.027 1.00 0.00 C ATOM 289 C GLU A 18 55.695 -11.731 -6.760 1.00 0.00 C ATOM 290 O GLU A 18 56.511 -11.078 -7.410 1.00 0.00 O ATOM 291 CB GLU A 18 53.306 -11.008 -6.922 1.00 0.00 C ATOM 292 CG GLU A 18 52.050 -10.957 -6.051 1.00 0.00 C ATOM 293 CD GLU A 18 51.678 -12.361 -5.585 1.00 0.00 C ATOM 294 OE1 GLU A 18 51.554 -12.550 -4.386 1.00 0.00 O ATOM 295 OE2 GLU A 18 51.519 -13.223 -6.433 1.00 0.00 O ATOM 0 H GLU A 18 55.466 -9.176 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 18 54.328 -11.570 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.336 -10.144 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.287 -11.895 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 18 52.222 -10.313 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 18 51.225 -10.522 -6.614 1.00 0.00 H new ATOM 302 N PRO A 19 55.778 -13.039 -6.672 1.00 0.00 N ATOM 303 CA PRO A 19 56.851 -13.816 -7.350 1.00 0.00 C ATOM 304 C PRO A 19 57.182 -13.260 -8.733 1.00 0.00 C ATOM 305 O PRO A 19 58.311 -13.377 -9.207 1.00 0.00 O ATOM 306 CB PRO A 19 56.258 -15.219 -7.455 1.00 0.00 C ATOM 307 CG PRO A 19 55.308 -15.341 -6.309 1.00 0.00 C ATOM 308 CD PRO A 19 54.866 -13.923 -5.926 1.00 0.00 C ATOM 0 HA PRO A 19 57.793 -13.782 -6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 19 55.744 -15.357 -8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 19 57.037 -15.979 -7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 19 54.447 -15.949 -6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 19 55.788 -15.835 -5.464 1.00 0.00 H new ATOM 0 HD2 PRO A 19 53.826 -13.743 -6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 19 54.945 -13.759 -4.851 1.00 0.00 H new ATOM 316 N SER A 20 56.185 -12.660 -9.377 1.00 0.00 N ATOM 317 CA SER A 20 56.377 -12.094 -10.707 1.00 0.00 C ATOM 318 C SER A 20 57.280 -10.865 -10.648 1.00 0.00 C ATOM 319 O SER A 20 58.265 -10.772 -11.380 1.00 0.00 O ATOM 320 CB SER A 20 55.027 -11.708 -11.309 1.00 0.00 C ATOM 321 OG SER A 20 54.113 -11.411 -10.260 1.00 0.00 O ATOM 0 H SER A 20 55.242 -12.554 -9.002 1.00 0.00 H new ATOM 0 HA SER A 20 56.854 -12.848 -11.334 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.141 -10.844 -11.963 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.643 -12.523 -11.922 1.00 0.00 H new ATOM 0 HG SER A 20 54.246 -10.487 -9.962 1.00 0.00 H new ATOM 327 N ASP A 21 56.935 -9.923 -9.777 1.00 0.00 N ATOM 328 CA ASP A 21 57.721 -8.703 -9.637 1.00 0.00 C ATOM 329 C ASP A 21 59.101 -9.016 -9.065 1.00 0.00 C ATOM 330 O ASP A 21 59.248 -9.900 -8.222 1.00 0.00 O ATOM 331 CB ASP A 21 56.998 -7.715 -8.718 1.00 0.00 C ATOM 332 CG ASP A 21 55.504 -8.021 -8.693 1.00 0.00 C ATOM 333 OD1 ASP A 21 54.890 -7.791 -7.664 1.00 0.00 O ATOM 334 OD2 ASP A 21 54.996 -8.482 -9.701 1.00 0.00 O ATOM 0 H ASP A 21 56.123 -9.980 -9.162 1.00 0.00 H new ATOM 0 HA ASP A 21 57.841 -8.258 -10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 21 57.407 -7.778 -7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.163 -6.695 -9.066 1.00 0.00 H new ATOM 339 N THR A 22 60.108 -8.283 -9.533 1.00 0.00 N ATOM 340 CA THR A 22 61.474 -8.489 -9.064 1.00 0.00 C ATOM 341 C THR A 22 61.877 -7.388 -8.088 1.00 0.00 C ATOM 342 O THR A 22 61.167 -6.395 -7.931 1.00 0.00 O ATOM 343 CB THR A 22 62.437 -8.497 -10.253 1.00 0.00 C ATOM 344 OG1 THR A 22 62.781 -7.160 -10.589 1.00 0.00 O ATOM 345 CG2 THR A 22 61.766 -9.172 -11.450 1.00 0.00 C ATOM 0 H THR A 22 60.005 -7.547 -10.231 1.00 0.00 H new ATOM 0 HA THR A 22 61.522 -9.449 -8.550 1.00 0.00 H new ATOM 0 HB THR A 22 63.339 -9.048 -9.989 1.00 0.00 H new ATOM 0 HG1 THR A 22 63.399 -7.163 -11.349 1.00 0.00 H new ATOM 0 HG21 THR A 22 62.452 -9.177 -12.297 1.00 0.00 H new ATOM 0 HG22 THR A 22 61.503 -10.197 -11.189 1.00 0.00 H new ATOM 0 HG23 THR A 22 60.863 -8.623 -11.718 1.00 0.00 H new ATOM 353 N ILE A 23 63.019 -7.572 -7.433 1.00 0.00 N ATOM 354 CA ILE A 23 63.506 -6.586 -6.473 1.00 0.00 C ATOM 355 C ILE A 23 63.413 -5.182 -7.057 1.00 0.00 C ATOM 356 O ILE A 23 63.322 -4.198 -6.321 1.00 0.00 O ATOM 357 CB ILE A 23 64.959 -6.890 -6.099 1.00 0.00 C ATOM 358 CG1 ILE A 23 65.127 -8.392 -5.857 1.00 0.00 C ATOM 359 CG2 ILE A 23 65.326 -6.126 -4.824 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.022 -8.892 -4.924 1.00 0.00 C ATOM 0 H ILE A 23 63.621 -8.388 -7.547 1.00 0.00 H new ATOM 0 HA ILE A 23 62.884 -6.639 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 23 65.613 -6.580 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 23 65.087 -8.929 -6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 23 66.105 -8.592 -5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 23 66.360 -6.341 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.211 -5.056 -4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 23 64.669 -6.436 -4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.145 -9.962 -4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.083 -8.364 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.049 -8.707 -5.380 1.00 0.00 H new ATOM 372 N GLU A 24 63.438 -5.093 -8.382 1.00 0.00 N ATOM 373 CA GLU A 24 63.358 -3.801 -9.053 1.00 0.00 C ATOM 374 C GLU A 24 62.080 -3.070 -8.654 1.00 0.00 C ATOM 375 O GLU A 24 62.077 -1.850 -8.489 1.00 0.00 O ATOM 376 CB GLU A 24 63.383 -3.997 -10.570 1.00 0.00 C ATOM 377 CG GLU A 24 64.795 -4.393 -11.009 1.00 0.00 C ATOM 378 CD GLU A 24 64.822 -4.647 -12.513 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.515 -5.758 -12.911 1.00 0.00 O ATOM 380 OE2 GLU A 24 65.150 -3.726 -13.243 1.00 0.00 O ATOM 0 H GLU A 24 63.512 -5.894 -9.009 1.00 0.00 H new ATOM 0 HA GLU A 24 64.217 -3.202 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 24 62.670 -4.769 -10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 24 63.079 -3.078 -11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 24 65.500 -3.602 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.113 -5.288 -10.475 1.00 0.00 H new ATOM 387 N ASN A 25 60.995 -3.822 -8.501 1.00 0.00 N ATOM 388 CA ASN A 25 59.717 -3.234 -8.120 1.00 0.00 C ATOM 389 C ASN A 25 59.766 -2.734 -6.678 1.00 0.00 C ATOM 390 O ASN A 25 59.242 -1.667 -6.363 1.00 0.00 O ATOM 391 CB ASN A 25 58.601 -4.268 -8.265 1.00 0.00 C ATOM 392 CG ASN A 25 57.986 -4.180 -9.659 1.00 0.00 C ATOM 393 OD1 ASN A 25 56.776 -3.997 -9.795 1.00 0.00 O ATOM 394 ND2 ASN A 25 58.752 -4.297 -10.709 1.00 0.00 N ATOM 0 H ASN A 25 60.975 -4.833 -8.634 1.00 0.00 H new ATOM 0 HA ASN A 25 59.517 -2.390 -8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 25 58.997 -5.269 -8.096 1.00 0.00 H new ATOM 0 HB3 ASN A 25 57.835 -4.097 -7.509 1.00 0.00 H new ATOM 0 HD21 ASN A 25 58.349 -4.237 -11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 25 59.754 -4.449 -10.595 1.00 0.00 H new ATOM 401 N ALA A 26 60.399 -3.516 -5.809 1.00 0.00 N ATOM 402 CA ALA A 26 60.511 -3.144 -4.404 1.00 0.00 C ATOM 403 C ALA A 26 61.363 -1.888 -4.248 1.00 0.00 C ATOM 404 O ALA A 26 61.035 -0.996 -3.464 1.00 0.00 O ATOM 405 CB ALA A 26 61.139 -4.289 -3.609 1.00 0.00 C ATOM 0 H ALA A 26 60.839 -4.404 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 26 59.511 -2.941 -4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 26 61.219 -4.003 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.514 -5.178 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 26 62.132 -4.504 -4.003 1.00 0.00 H new ATOM 411 N LYS A 27 62.455 -1.823 -5.002 1.00 0.00 N ATOM 412 CA LYS A 27 63.346 -0.671 -4.941 1.00 0.00 C ATOM 413 C LYS A 27 62.636 0.582 -5.446 1.00 0.00 C ATOM 414 O LYS A 27 62.790 1.665 -4.881 1.00 0.00 O ATOM 415 CB LYS A 27 64.595 -0.928 -5.785 1.00 0.00 C ATOM 416 CG LYS A 27 65.560 -1.827 -5.009 1.00 0.00 C ATOM 417 CD LYS A 27 66.764 -2.166 -5.891 1.00 0.00 C ATOM 418 CE LYS A 27 67.868 -2.784 -5.033 1.00 0.00 C ATOM 419 NZ LYS A 27 68.690 -1.701 -4.423 1.00 0.00 N ATOM 0 H LYS A 27 62.743 -2.549 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 27 63.638 -0.517 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.319 -1.401 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 27 65.080 0.016 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 27 65.892 -1.324 -4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.053 -2.741 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.468 -2.861 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 27 67.132 -1.266 -6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 27 67.431 -3.406 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 27 68.497 -3.433 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 69.471 -2.122 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 69.077 -1.094 -5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 68.096 -1.130 -3.788 1.00 0.00 H new ATOM 433 N ALA A 28 61.862 0.425 -6.515 1.00 0.00 N ATOM 434 CA ALA A 28 61.133 1.551 -7.089 1.00 0.00 C ATOM 435 C ALA A 28 60.090 2.069 -6.106 1.00 0.00 C ATOM 436 O ALA A 28 59.858 3.274 -6.010 1.00 0.00 O ATOM 437 CB ALA A 28 60.445 1.120 -8.386 1.00 0.00 C ATOM 0 H ALA A 28 61.724 -0.463 -6.998 1.00 0.00 H new ATOM 0 HA ALA A 28 61.843 2.350 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 28 59.903 1.966 -8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.195 0.777 -9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 28 59.747 0.310 -8.176 1.00 0.00 H new ATOM 443 N LYS A 29 59.463 1.153 -5.377 1.00 0.00 N ATOM 444 CA LYS A 29 58.446 1.529 -4.403 1.00 0.00 C ATOM 445 C LYS A 29 59.059 2.367 -3.285 1.00 0.00 C ATOM 446 O LYS A 29 58.544 3.430 -2.939 1.00 0.00 O ATOM 447 CB LYS A 29 57.801 0.275 -3.808 1.00 0.00 C ATOM 448 CG LYS A 29 56.782 -0.292 -4.799 1.00 0.00 C ATOM 449 CD LYS A 29 56.388 -1.708 -4.372 1.00 0.00 C ATOM 450 CE LYS A 29 55.345 -2.263 -5.344 1.00 0.00 C ATOM 451 NZ LYS A 29 55.744 -3.635 -5.768 1.00 0.00 N ATOM 0 H LYS A 29 59.640 0.150 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 29 57.685 2.121 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.565 -0.471 -3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.311 0.517 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.900 0.347 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 29 57.206 -0.308 -5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 29 57.267 -2.353 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 29 55.986 -1.695 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 29 54.365 -2.288 -4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 29 55.260 -1.612 -6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 55.468 -3.786 -6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 56.774 -3.741 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 55.268 -4.337 -5.165 1.00 0.00 H new ATOM 465 N ILE A 30 60.162 1.881 -2.725 1.00 0.00 N ATOM 466 CA ILE A 30 60.838 2.594 -1.647 1.00 0.00 C ATOM 467 C ILE A 30 61.311 3.962 -2.127 1.00 0.00 C ATOM 468 O ILE A 30 61.328 4.928 -1.365 1.00 0.00 O ATOM 469 CB ILE A 30 62.035 1.782 -1.153 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.552 0.737 -0.145 1.00 0.00 C ATOM 471 CG2 ILE A 30 63.046 2.710 -0.475 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.437 -0.505 -0.241 1.00 0.00 C ATOM 0 H ILE A 30 60.604 1.003 -2.997 1.00 0.00 H new ATOM 0 HA ILE A 30 60.132 2.732 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 30 62.512 1.288 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 30 61.588 1.146 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.514 0.474 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.897 2.127 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 30 63.389 3.459 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 30 62.573 3.206 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.095 -1.251 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.379 -0.916 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.469 -0.234 -0.019 1.00 0.00 H new ATOM 484 N GLN A 31 61.700 4.033 -3.396 1.00 0.00 N ATOM 485 CA GLN A 31 62.179 5.286 -3.968 1.00 0.00 C ATOM 486 C GLN A 31 61.062 6.322 -4.029 1.00 0.00 C ATOM 487 O GLN A 31 61.274 7.491 -3.712 1.00 0.00 O ATOM 488 CB GLN A 31 62.723 5.040 -5.377 1.00 0.00 C ATOM 489 CG GLN A 31 62.918 6.380 -6.089 1.00 0.00 C ATOM 490 CD GLN A 31 61.641 6.768 -6.828 1.00 0.00 C ATOM 491 OE1 GLN A 31 61.164 6.020 -7.679 1.00 0.00 O ATOM 492 NE2 GLN A 31 61.058 7.903 -6.550 1.00 0.00 N ATOM 0 H GLN A 31 61.693 3.245 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 31 62.974 5.669 -3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.670 4.503 -5.324 1.00 0.00 H new ATOM 0 HB3 GLN A 31 62.032 4.413 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 31 63.178 7.152 -5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.748 6.310 -6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 31 61.456 8.521 -5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 31 60.204 8.171 -7.039 1.00 0.00 H new ATOM 501 N ASP A 32 59.877 5.891 -4.443 1.00 0.00 N ATOM 502 CA ASP A 32 58.741 6.802 -4.548 1.00 0.00 C ATOM 503 C ASP A 32 58.159 7.113 -3.172 1.00 0.00 C ATOM 504 O ASP A 32 57.448 8.103 -3.000 1.00 0.00 O ATOM 505 CB ASP A 32 57.658 6.183 -5.434 1.00 0.00 C ATOM 506 CG ASP A 32 57.539 6.969 -6.734 1.00 0.00 C ATOM 507 OD1 ASP A 32 57.459 8.185 -6.663 1.00 0.00 O ATOM 508 OD2 ASP A 32 57.535 6.346 -7.783 1.00 0.00 O ATOM 0 H ASP A 32 59.677 4.927 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 32 59.092 7.733 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.903 5.143 -5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 32 56.702 6.184 -4.910 1.00 0.00 H new ATOM 513 N LYS A 33 58.457 6.262 -2.195 1.00 0.00 N ATOM 514 CA LYS A 33 57.947 6.463 -0.842 1.00 0.00 C ATOM 515 C LYS A 33 58.947 7.239 0.011 1.00 0.00 C ATOM 516 O LYS A 33 58.557 8.063 0.839 1.00 0.00 O ATOM 517 CB LYS A 33 57.656 5.112 -0.187 1.00 0.00 C ATOM 518 CG LYS A 33 56.555 4.391 -0.967 1.00 0.00 C ATOM 519 CD LYS A 33 55.311 4.259 -0.087 1.00 0.00 C ATOM 520 CE LYS A 33 54.223 3.499 -0.850 1.00 0.00 C ATOM 521 NZ LYS A 33 52.974 3.470 -0.037 1.00 0.00 N ATOM 0 H LYS A 33 59.043 5.435 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 33 57.026 7.043 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.560 4.504 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 33 57.347 5.257 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.315 4.945 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 33 56.900 3.405 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.559 3.732 0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 33 54.948 5.246 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.034 3.980 -1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 33 54.555 2.483 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.235 2.954 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 53.160 2.993 0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 52.655 4.443 0.144 1.00 0.00 H new ATOM 535 N GLU A 34 60.233 6.964 -0.184 1.00 0.00 N ATOM 536 CA GLU A 34 61.272 7.640 0.587 1.00 0.00 C ATOM 537 C GLU A 34 61.937 8.743 -0.233 1.00 0.00 C ATOM 538 O GLU A 34 62.670 9.571 0.308 1.00 0.00 O ATOM 539 CB GLU A 34 62.331 6.628 1.033 1.00 0.00 C ATOM 540 CG GLU A 34 61.653 5.466 1.765 1.00 0.00 C ATOM 541 CD GLU A 34 60.924 5.982 3.001 1.00 0.00 C ATOM 542 OE1 GLU A 34 59.906 5.404 3.347 1.00 0.00 O ATOM 543 OE2 GLU A 34 61.390 6.949 3.580 1.00 0.00 O ATOM 0 H GLU A 34 60.579 6.285 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 34 60.803 8.093 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.880 6.256 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 34 63.057 7.110 1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.949 4.967 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 34 62.397 4.724 2.055 1.00 0.00 H new ATOM 550 N GLY A 35 61.679 8.754 -1.536 1.00 0.00 N ATOM 551 CA GLY A 35 62.265 9.766 -2.407 1.00 0.00 C ATOM 552 C GLY A 35 63.753 9.508 -2.622 1.00 0.00 C ATOM 553 O GLY A 35 64.469 10.355 -3.157 1.00 0.00 O ATOM 0 H GLY A 35 61.075 8.082 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.750 9.766 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 35 62.123 10.754 -1.969 1.00 0.00 H new ATOM 557 N ILE A 36 64.215 8.334 -2.199 1.00 0.00 N ATOM 558 CA ILE A 36 65.621 7.979 -2.349 1.00 0.00 C ATOM 559 C ILE A 36 65.853 7.284 -3.703 1.00 0.00 C ATOM 560 O ILE A 36 65.116 6.363 -4.050 1.00 0.00 O ATOM 561 CB ILE A 36 66.037 7.036 -1.216 1.00 0.00 C ATOM 562 CG1 ILE A 36 65.655 7.659 0.129 1.00 0.00 C ATOM 563 CG2 ILE A 36 67.550 6.814 -1.261 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.968 6.672 1.256 1.00 0.00 C ATOM 0 H ILE A 36 63.641 7.618 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 36 66.220 8.889 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 36 65.527 6.080 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 36 66.205 8.588 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 36 64.595 7.912 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.843 6.143 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.825 6.372 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 36 68.062 7.769 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.696 7.115 2.214 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.398 5.755 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 36 67.033 6.441 1.252 1.00 0.00 H new ATOM 576 N PRO A 37 66.845 7.689 -4.475 1.00 0.00 N ATOM 577 CA PRO A 37 67.118 7.054 -5.798 1.00 0.00 C ATOM 578 C PRO A 37 67.758 5.665 -5.652 1.00 0.00 C ATOM 579 O PRO A 37 68.494 5.421 -4.696 1.00 0.00 O ATOM 580 CB PRO A 37 68.085 8.026 -6.475 1.00 0.00 C ATOM 581 CG PRO A 37 68.787 8.723 -5.358 1.00 0.00 C ATOM 582 CD PRO A 37 67.802 8.777 -4.190 1.00 0.00 C ATOM 0 HA PRO A 37 66.203 6.888 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 37 68.791 7.497 -7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 37 67.551 8.735 -7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 37 69.694 8.188 -5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 37 69.089 9.727 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 37 68.306 8.624 -3.236 1.00 0.00 H new ATOM 0 HD3 PRO A 37 67.302 9.744 -4.135 1.00 0.00 H new ATOM 590 N PRO A 38 67.507 4.755 -6.571 1.00 0.00 N ATOM 591 CA PRO A 38 68.089 3.383 -6.515 1.00 0.00 C ATOM 592 C PRO A 38 69.567 3.385 -6.124 1.00 0.00 C ATOM 593 O PRO A 38 70.060 2.431 -5.523 1.00 0.00 O ATOM 594 CB PRO A 38 67.922 2.854 -7.941 1.00 0.00 C ATOM 595 CG PRO A 38 66.781 3.614 -8.533 1.00 0.00 C ATOM 596 CD PRO A 38 66.645 4.926 -7.756 1.00 0.00 C ATOM 0 HA PRO A 38 67.594 2.773 -5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.833 3.003 -8.521 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.718 1.783 -7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.960 3.812 -9.590 1.00 0.00 H new ATOM 0 HG3 PRO A 38 65.860 3.034 -8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 38 66.965 5.777 -8.358 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.610 5.110 -7.469 1.00 0.00 H new ATOM 604 N ASP A 39 70.269 4.456 -6.481 1.00 0.00 N ATOM 605 CA ASP A 39 71.692 4.564 -6.176 1.00 0.00 C ATOM 606 C ASP A 39 71.936 4.613 -4.670 1.00 0.00 C ATOM 607 O ASP A 39 72.985 4.183 -4.191 1.00 0.00 O ATOM 608 CB ASP A 39 72.268 5.821 -6.828 1.00 0.00 C ATOM 609 CG ASP A 39 73.596 6.186 -6.172 1.00 0.00 C ATOM 610 OD1 ASP A 39 73.603 7.097 -5.359 1.00 0.00 O ATOM 611 OD2 ASP A 39 74.587 5.551 -6.493 1.00 0.00 O ATOM 0 H ASP A 39 69.879 5.257 -6.978 1.00 0.00 H new ATOM 0 HA ASP A 39 72.189 3.679 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 39 72.414 5.653 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.564 6.647 -6.729 1.00 0.00 H new ATOM 616 N GLN A 40 70.968 5.145 -3.930 1.00 0.00 N ATOM 617 CA GLN A 40 71.097 5.250 -2.481 1.00 0.00 C ATOM 618 C GLN A 40 70.245 4.195 -1.780 1.00 0.00 C ATOM 619 O GLN A 40 69.969 4.301 -0.584 1.00 0.00 O ATOM 620 CB GLN A 40 70.668 6.648 -2.026 1.00 0.00 C ATOM 621 CG GLN A 40 71.902 7.536 -1.857 1.00 0.00 C ATOM 622 CD GLN A 40 71.477 8.992 -1.706 1.00 0.00 C ATOM 623 OE1 GLN A 40 72.043 9.876 -2.346 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.499 9.293 -0.894 1.00 0.00 N ATOM 0 H GLN A 40 70.092 5.508 -4.306 1.00 0.00 H new ATOM 0 HA GLN A 40 72.140 5.081 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.990 7.087 -2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 40 70.123 6.583 -1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.470 7.221 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 40 72.560 7.428 -2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.031 8.557 -0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.203 10.264 -0.790 1.00 0.00 H new ATOM 633 N GLN A 41 69.833 3.177 -2.532 1.00 0.00 N ATOM 634 CA GLN A 41 69.011 2.104 -1.974 1.00 0.00 C ATOM 635 C GLN A 41 69.725 0.760 -2.093 1.00 0.00 C ATOM 636 O GLN A 41 69.916 0.246 -3.195 1.00 0.00 O ATOM 637 CB GLN A 41 67.672 2.032 -2.710 1.00 0.00 C ATOM 638 CG GLN A 41 66.968 3.388 -2.632 1.00 0.00 C ATOM 639 CD GLN A 41 65.812 3.432 -3.626 1.00 0.00 C ATOM 640 OE1 GLN A 41 65.925 4.059 -4.680 1.00 0.00 O ATOM 641 NE2 GLN A 41 64.704 2.802 -3.354 1.00 0.00 N ATOM 0 H GLN A 41 70.052 3.072 -3.523 1.00 0.00 H new ATOM 0 HA GLN A 41 68.838 2.321 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.833 1.754 -3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.044 1.259 -2.267 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.596 3.557 -1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.676 4.188 -2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 41 64.613 2.284 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 41 63.927 2.827 -4.015 1.00 0.00 H new ATOM 650 N ARG A 42 70.109 0.198 -0.949 1.00 0.00 N ATOM 651 CA ARG A 42 70.793 -1.092 -0.927 1.00 0.00 C ATOM 652 C ARG A 42 69.984 -2.103 -0.122 1.00 0.00 C ATOM 653 O ARG A 42 69.886 -2.002 1.101 1.00 0.00 O ATOM 654 CB ARG A 42 72.181 -0.938 -0.306 1.00 0.00 C ATOM 655 CG ARG A 42 73.240 -1.367 -1.323 1.00 0.00 C ATOM 656 CD ARG A 42 74.630 -1.144 -0.733 1.00 0.00 C ATOM 657 NE ARG A 42 75.414 -2.372 -0.812 1.00 0.00 N ATOM 658 CZ ARG A 42 76.623 -2.453 -0.264 1.00 0.00 C ATOM 659 NH1 ARG A 42 77.302 -3.564 -0.345 1.00 0.00 N ATOM 660 NH2 ARG A 42 77.128 -1.422 0.356 1.00 0.00 N ATOM 0 H ARG A 42 69.959 0.613 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 42 70.894 -1.450 -1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.346 0.097 -0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.258 -1.546 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 42 73.107 -2.417 -1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 42 73.128 -0.795 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 42 75.138 -0.344 -1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.545 -0.824 0.306 1.00 0.00 H new ATOM 0 HE ARG A 42 75.028 -3.183 -1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 42 76.906 -4.370 -0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 42 78.229 -3.627 0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 42 76.596 -0.554 0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 42 78.055 -1.484 0.776 1.00 0.00 H new ATOM 674 N LEU A 43 69.397 -3.073 -0.815 1.00 0.00 N ATOM 675 CA LEU A 43 68.589 -4.089 -0.150 1.00 0.00 C ATOM 676 C LEU A 43 69.389 -5.373 0.054 1.00 0.00 C ATOM 677 O LEU A 43 69.963 -5.916 -0.889 1.00 0.00 O ATOM 678 CB LEU A 43 67.341 -4.391 -0.985 1.00 0.00 C ATOM 679 CG LEU A 43 66.170 -3.530 -0.495 1.00 0.00 C ATOM 680 CD1 LEU A 43 65.009 -3.648 -1.483 1.00 0.00 C ATOM 681 CD2 LEU A 43 65.705 -4.005 0.887 1.00 0.00 C ATOM 0 H LEU A 43 69.464 -3.177 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 43 68.293 -3.705 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.538 -4.188 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 43 67.086 -5.448 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 43 66.497 -2.493 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 43 64.174 -3.037 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 43 65.331 -3.302 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 43 64.693 -4.689 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.873 -3.386 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 43 65.382 -5.044 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 43 66.529 -3.923 1.596 1.00 0.00 H new ATOM 693 N ILE A 44 69.410 -5.853 1.294 1.00 0.00 N ATOM 694 CA ILE A 44 70.131 -7.077 1.624 1.00 0.00 C ATOM 695 C ILE A 44 69.239 -8.010 2.439 1.00 0.00 C ATOM 696 O ILE A 44 68.293 -7.567 3.091 1.00 0.00 O ATOM 697 CB ILE A 44 71.394 -6.751 2.427 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.379 -5.954 1.560 1.00 0.00 C ATOM 699 CG2 ILE A 44 72.058 -8.051 2.882 1.00 0.00 C ATOM 700 CD1 ILE A 44 72.162 -4.457 1.786 1.00 0.00 C ATOM 0 H ILE A 44 68.937 -5.414 2.084 1.00 0.00 H new ATOM 0 HA ILE A 44 70.415 -7.570 0.694 1.00 0.00 H new ATOM 0 HB ILE A 44 71.118 -6.154 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.404 -6.226 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 44 72.234 -6.199 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.957 -7.820 3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 44 71.365 -8.614 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 44 72.326 -8.647 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 44 72.861 -3.891 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 44 71.141 -4.192 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 44 72.329 -4.220 2.837 1.00 0.00 H new ATOM 712 N PHE A 45 69.548 -9.302 2.397 1.00 0.00 N ATOM 713 CA PHE A 45 68.765 -10.287 3.134 1.00 0.00 C ATOM 714 C PHE A 45 69.676 -11.355 3.733 1.00 0.00 C ATOM 715 O PHE A 45 70.286 -12.141 3.008 1.00 0.00 O ATOM 716 CB PHE A 45 67.745 -10.944 2.204 1.00 0.00 C ATOM 717 CG PHE A 45 66.968 -11.993 2.964 1.00 0.00 C ATOM 718 CD1 PHE A 45 67.439 -13.310 3.018 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.775 -11.648 3.611 1.00 0.00 C ATOM 720 CE1 PHE A 45 66.719 -14.283 3.719 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.054 -12.622 4.312 1.00 0.00 C ATOM 722 CZ PHE A 45 65.527 -13.939 4.367 1.00 0.00 C ATOM 0 H PHE A 45 70.328 -9.689 1.865 1.00 0.00 H new ATOM 0 HA PHE A 45 68.242 -9.778 3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 45 67.065 -10.192 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 45 68.253 -11.398 1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 45 68.359 -13.575 2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 45 65.412 -10.632 3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 45 67.083 -15.299 3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 45 64.133 -12.358 4.810 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.972 -14.690 4.910 1.00 0.00 H new ATOM 732 N ALA A 46 69.761 -11.377 5.059 1.00 0.00 N ATOM 733 CA ALA A 46 70.599 -12.353 5.744 1.00 0.00 C ATOM 734 C ALA A 46 72.021 -12.321 5.193 1.00 0.00 C ATOM 735 O ALA A 46 72.812 -13.234 5.436 1.00 0.00 O ATOM 736 CB ALA A 46 70.014 -13.757 5.572 1.00 0.00 C ATOM 0 H ALA A 46 69.264 -10.735 5.676 1.00 0.00 H new ATOM 0 HA ALA A 46 70.627 -12.099 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 46 70.646 -14.480 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 46 69.010 -13.787 5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 46 69.969 -14.005 4.512 1.00 0.00 H new ATOM 742 N GLY A 47 72.341 -11.266 4.452 1.00 0.00 N ATOM 743 CA GLY A 47 73.671 -11.126 3.873 1.00 0.00 C ATOM 744 C GLY A 47 74.171 -12.461 3.329 1.00 0.00 C ATOM 745 O GLY A 47 75.190 -12.984 3.782 1.00 0.00 O ATOM 0 H GLY A 47 71.702 -10.500 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.647 -10.388 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.363 -10.754 4.628 1.00 0.00 H new ATOM 749 N LYS A 48 73.449 -13.006 2.356 1.00 0.00 N ATOM 750 CA LYS A 48 73.830 -14.280 1.758 1.00 0.00 C ATOM 751 C LYS A 48 74.938 -14.080 0.729 1.00 0.00 C ATOM 752 O LYS A 48 75.422 -12.966 0.533 1.00 0.00 O ATOM 753 CB LYS A 48 72.617 -14.924 1.085 1.00 0.00 C ATOM 754 CG LYS A 48 72.125 -16.098 1.936 1.00 0.00 C ATOM 755 CD LYS A 48 70.834 -16.660 1.333 1.00 0.00 C ATOM 756 CE LYS A 48 70.561 -18.046 1.919 1.00 0.00 C ATOM 757 NZ LYS A 48 71.175 -19.084 1.045 1.00 0.00 N ATOM 0 H LYS A 48 72.603 -12.589 1.967 1.00 0.00 H new ATOM 0 HA LYS A 48 74.198 -14.935 2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 48 71.821 -14.189 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 48 72.883 -15.271 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 48 72.888 -16.875 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 48 71.948 -15.770 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 48 69.999 -15.992 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 48 70.923 -16.723 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 48 70.972 -18.114 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 48 69.487 -18.213 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 70.432 -19.714 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 71.661 -18.624 0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 71.861 -19.640 1.595 1.00 0.00 H new ATOM 771 N GLN A 49 75.334 -15.167 0.075 1.00 0.00 N ATOM 772 CA GLN A 49 76.386 -15.099 -0.934 1.00 0.00 C ATOM 773 C GLN A 49 75.783 -15.037 -2.333 1.00 0.00 C ATOM 774 O GLN A 49 75.640 -13.957 -2.907 1.00 0.00 O ATOM 775 CB GLN A 49 77.296 -16.323 -0.821 1.00 0.00 C ATOM 776 CG GLN A 49 78.528 -15.971 0.015 1.00 0.00 C ATOM 777 CD GLN A 49 79.396 -17.208 0.212 1.00 0.00 C ATOM 778 OE1 GLN A 49 79.609 -17.975 -0.728 1.00 0.00 O ATOM 779 NE2 GLN A 49 79.914 -17.451 1.385 1.00 0.00 N ATOM 0 H GLN A 49 74.946 -16.099 0.223 1.00 0.00 H new ATOM 0 HA GLN A 49 76.971 -14.195 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 49 76.755 -17.149 -0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 49 77.600 -16.655 -1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 49 79.103 -15.189 -0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 49 78.220 -15.575 0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 49 79.737 -16.815 2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 49 80.496 -18.277 1.524 1.00 0.00 H new ATOM 788 N LEU A 50 75.432 -16.201 -2.872 1.00 0.00 N ATOM 789 CA LEU A 50 74.842 -16.269 -4.210 1.00 0.00 C ATOM 790 C LEU A 50 75.766 -15.625 -5.240 1.00 0.00 C ATOM 791 O LEU A 50 76.585 -14.768 -4.907 1.00 0.00 O ATOM 792 CB LEU A 50 73.491 -15.554 -4.215 1.00 0.00 C ATOM 793 CG LEU A 50 72.584 -16.153 -3.135 1.00 0.00 C ATOM 794 CD1 LEU A 50 71.254 -15.399 -3.110 1.00 0.00 C ATOM 795 CD2 LEU A 50 72.324 -17.631 -3.440 1.00 0.00 C ATOM 0 H LEU A 50 75.543 -17.104 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 50 74.702 -17.317 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 50 73.632 -14.488 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 50 73.021 -15.652 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 50 73.073 -16.064 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 50 70.609 -15.825 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 50 71.436 -14.347 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 50 70.768 -15.486 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 50 71.679 -18.053 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 50 71.837 -17.722 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 50 73.271 -18.171 -3.457 1.00 0.00 H new ATOM 807 N GLU A 51 75.632 -16.046 -6.494 1.00 0.00 N ATOM 808 CA GLU A 51 76.460 -15.503 -7.564 1.00 0.00 C ATOM 809 C GLU A 51 75.828 -14.244 -8.146 1.00 0.00 C ATOM 810 O GLU A 51 74.606 -14.094 -8.149 1.00 0.00 O ATOM 811 CB GLU A 51 76.635 -16.546 -8.670 1.00 0.00 C ATOM 812 CG GLU A 51 77.324 -17.786 -8.098 1.00 0.00 C ATOM 813 CD GLU A 51 78.799 -17.788 -8.488 1.00 0.00 C ATOM 814 OE1 GLU A 51 79.212 -18.713 -9.168 1.00 0.00 O ATOM 815 OE2 GLU A 51 79.495 -16.863 -8.101 1.00 0.00 O ATOM 0 H GLU A 51 74.963 -16.756 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 51 77.434 -15.247 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 51 75.665 -16.816 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 51 77.228 -16.131 -9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 51 77.226 -17.799 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.839 -18.687 -8.472 1.00 0.00 H new ATOM 822 N ASP A 52 76.669 -13.345 -8.638 1.00 0.00 N ATOM 823 CA ASP A 52 76.187 -12.099 -9.223 1.00 0.00 C ATOM 824 C ASP A 52 75.161 -12.382 -10.317 1.00 0.00 C ATOM 825 O ASP A 52 74.279 -11.565 -10.580 1.00 0.00 O ATOM 826 CB ASP A 52 77.357 -11.309 -9.811 1.00 0.00 C ATOM 827 CG ASP A 52 78.627 -11.584 -9.013 1.00 0.00 C ATOM 828 OD1 ASP A 52 79.553 -12.136 -9.584 1.00 0.00 O ATOM 829 OD2 ASP A 52 78.654 -11.240 -7.844 1.00 0.00 O ATOM 0 H ASP A 52 77.683 -13.453 -8.645 1.00 0.00 H new ATOM 0 HA ASP A 52 75.712 -11.512 -8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 52 77.506 -11.587 -10.854 1.00 0.00 H new ATOM 0 HB3 ASP A 52 77.131 -10.243 -9.794 1.00 0.00 H new ATOM 834 N GLY A 53 75.285 -13.544 -10.948 1.00 0.00 N ATOM 835 CA GLY A 53 74.364 -13.926 -12.012 1.00 0.00 C ATOM 836 C GLY A 53 72.936 -14.031 -11.486 1.00 0.00 C ATOM 837 O GLY A 53 71.979 -13.713 -12.192 1.00 0.00 O ATOM 0 H GLY A 53 76.008 -14.233 -10.744 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.406 -13.191 -12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 53 74.670 -14.882 -12.437 1.00 0.00 H new ATOM 841 N ARG A 54 72.801 -14.481 -10.242 1.00 0.00 N ATOM 842 CA ARG A 54 71.485 -14.624 -9.632 1.00 0.00 C ATOM 843 C ARG A 54 71.186 -13.439 -8.717 1.00 0.00 C ATOM 844 O ARG A 54 72.099 -12.813 -8.180 1.00 0.00 O ATOM 845 CB ARG A 54 71.422 -15.922 -8.826 1.00 0.00 C ATOM 846 CG ARG A 54 71.700 -17.109 -9.750 1.00 0.00 C ATOM 847 CD ARG A 54 70.447 -17.980 -9.856 1.00 0.00 C ATOM 848 NE ARG A 54 70.709 -19.141 -10.697 1.00 0.00 N ATOM 849 CZ ARG A 54 69.715 -19.880 -11.178 1.00 0.00 C ATOM 850 NH1 ARG A 54 69.975 -20.915 -11.930 1.00 0.00 N ATOM 851 NH2 ARG A 54 68.478 -19.571 -10.898 1.00 0.00 N ATOM 0 H ARG A 54 73.580 -14.751 -9.642 1.00 0.00 H new ATOM 0 HA ARG A 54 70.738 -14.653 -10.426 1.00 0.00 H new ATOM 0 HB2 ARG A 54 72.153 -15.897 -8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 54 70.440 -16.029 -8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 54 71.993 -16.753 -10.738 1.00 0.00 H new ATOM 0 HG3 ARG A 54 72.532 -17.697 -9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 54 70.136 -18.304 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 54 69.625 -17.398 -10.273 1.00 0.00 H new ATOM 0 HE ARG A 54 71.672 -19.391 -10.920 1.00 0.00 H new ATOM 0 HH11 ARG A 54 70.942 -21.157 -12.149 1.00 0.00 H new ATOM 0 HH12 ARG A 54 69.212 -21.482 -12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 54 68.275 -18.763 -10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 54 67.715 -20.138 -11.267 1.00 0.00 H new ATOM 865 N THR A 55 69.900 -13.141 -8.546 1.00 0.00 N ATOM 866 CA THR A 55 69.486 -12.031 -7.695 1.00 0.00 C ATOM 867 C THR A 55 68.862 -12.550 -6.405 1.00 0.00 C ATOM 868 O THR A 55 68.758 -13.759 -6.196 1.00 0.00 O ATOM 869 CB THR A 55 68.473 -11.156 -8.437 1.00 0.00 C ATOM 870 OG1 THR A 55 67.342 -11.939 -8.791 1.00 0.00 O ATOM 871 CG2 THR A 55 69.118 -10.585 -9.702 1.00 0.00 C ATOM 0 H THR A 55 69.132 -13.650 -8.983 1.00 0.00 H new ATOM 0 HA THR A 55 70.367 -11.439 -7.447 1.00 0.00 H new ATOM 0 HB THR A 55 68.159 -10.336 -7.791 1.00 0.00 H new ATOM 0 HG1 THR A 55 66.692 -11.379 -9.265 1.00 0.00 H new ATOM 0 HG21 THR A 55 68.396 -9.962 -10.229 1.00 0.00 H new ATOM 0 HG22 THR A 55 69.985 -9.983 -9.429 1.00 0.00 H new ATOM 0 HG23 THR A 55 69.434 -11.402 -10.350 1.00 0.00 H new ATOM 879 N LEU A 56 68.447 -11.628 -5.540 1.00 0.00 N ATOM 880 CA LEU A 56 67.833 -12.005 -4.273 1.00 0.00 C ATOM 881 C LEU A 56 66.473 -12.652 -4.511 1.00 0.00 C ATOM 882 O LEU A 56 66.074 -13.567 -3.790 1.00 0.00 O ATOM 883 CB LEU A 56 67.665 -10.771 -3.383 1.00 0.00 C ATOM 884 CG LEU A 56 69.010 -10.053 -3.233 1.00 0.00 C ATOM 885 CD1 LEU A 56 68.831 -8.813 -2.358 1.00 0.00 C ATOM 886 CD2 LEU A 56 70.025 -10.995 -2.579 1.00 0.00 C ATOM 0 H LEU A 56 68.524 -10.622 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 56 68.484 -12.723 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.928 -10.095 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.289 -11.066 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 56 69.373 -9.756 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.788 -8.302 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 56 68.110 -8.140 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 56 68.467 -9.111 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 56 70.981 -10.483 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 56 69.663 -11.294 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 56 70.155 -11.880 -3.202 1.00 0.00 H new ATOM 898 N SER A 57 65.764 -12.169 -5.526 1.00 0.00 N ATOM 899 CA SER A 57 64.449 -12.707 -5.852 1.00 0.00 C ATOM 900 C SER A 57 64.558 -14.169 -6.272 1.00 0.00 C ATOM 901 O SER A 57 63.633 -14.956 -6.065 1.00 0.00 O ATOM 902 CB SER A 57 63.818 -11.895 -6.983 1.00 0.00 C ATOM 903 OG SER A 57 62.723 -11.148 -6.470 1.00 0.00 O ATOM 0 H SER A 57 66.076 -11.411 -6.133 1.00 0.00 H new ATOM 0 HA SER A 57 63.820 -12.642 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.557 -11.224 -7.421 1.00 0.00 H new ATOM 0 HB3 SER A 57 63.479 -12.559 -7.778 1.00 0.00 H new ATOM 0 HG SER A 57 61.988 -11.159 -7.118 1.00 0.00 H new ATOM 909 N ASP A 58 65.693 -14.525 -6.864 1.00 0.00 N ATOM 910 CA ASP A 58 65.913 -15.897 -7.309 1.00 0.00 C ATOM 911 C ASP A 58 65.846 -16.861 -6.129 1.00 0.00 C ATOM 912 O ASP A 58 65.770 -18.077 -6.311 1.00 0.00 O ATOM 913 CB ASP A 58 67.278 -16.013 -7.988 1.00 0.00 C ATOM 914 CG ASP A 58 67.172 -16.895 -9.226 1.00 0.00 C ATOM 915 OD1 ASP A 58 67.085 -18.100 -9.066 1.00 0.00 O ATOM 916 OD2 ASP A 58 67.183 -16.352 -10.320 1.00 0.00 O ATOM 0 H ASP A 58 66.469 -13.889 -7.046 1.00 0.00 H new ATOM 0 HA ASP A 58 65.130 -16.158 -8.021 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.640 -15.023 -8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.004 -16.434 -7.293 1.00 0.00 H new ATOM 921 N TYR A 59 65.876 -16.312 -4.919 1.00 0.00 N ATOM 922 CA TYR A 59 65.816 -17.134 -3.716 1.00 0.00 C ATOM 923 C TYR A 59 64.367 -17.370 -3.304 1.00 0.00 C ATOM 924 O TYR A 59 64.096 -18.050 -2.314 1.00 0.00 O ATOM 925 CB TYR A 59 66.567 -16.444 -2.576 1.00 0.00 C ATOM 926 CG TYR A 59 67.241 -17.487 -1.716 1.00 0.00 C ATOM 927 CD1 TYR A 59 68.438 -18.075 -2.139 1.00 0.00 C ATOM 928 CD2 TYR A 59 66.668 -17.865 -0.496 1.00 0.00 C ATOM 929 CE1 TYR A 59 69.062 -19.043 -1.344 1.00 0.00 C ATOM 930 CE2 TYR A 59 67.293 -18.831 0.301 1.00 0.00 C ATOM 931 CZ TYR A 59 68.491 -19.420 -0.123 1.00 0.00 C ATOM 932 OH TYR A 59 69.107 -20.373 0.663 1.00 0.00 O ATOM 0 H TYR A 59 65.941 -15.309 -4.746 1.00 0.00 H new ATOM 0 HA TYR A 59 66.283 -18.095 -3.929 1.00 0.00 H new ATOM 0 HB2 TYR A 59 67.309 -15.754 -2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 59 65.876 -15.853 -1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 59 68.881 -17.782 -3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 59 65.744 -17.411 -0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 59 69.984 -19.499 -1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 59 66.852 -19.122 1.243 1.00 0.00 H new ATOM 0 HH TYR A 59 68.580 -20.517 1.477 1.00 0.00 H new ATOM 942 N ASN A 60 63.442 -16.805 -4.072 1.00 0.00 N ATOM 943 CA ASN A 60 62.023 -16.960 -3.782 1.00 0.00 C ATOM 944 C ASN A 60 61.681 -16.351 -2.426 1.00 0.00 C ATOM 945 O ASN A 60 61.051 -16.995 -1.588 1.00 0.00 O ATOM 946 CB ASN A 60 61.647 -18.443 -3.784 1.00 0.00 C ATOM 947 CG ASN A 60 62.451 -19.185 -4.846 1.00 0.00 C ATOM 948 OD1 ASN A 60 63.117 -20.174 -4.541 1.00 0.00 O ATOM 949 ND2 ASN A 60 62.423 -18.769 -6.082 1.00 0.00 N ATOM 0 H ASN A 60 63.648 -16.239 -4.895 1.00 0.00 H new ATOM 0 HA ASN A 60 61.457 -16.440 -4.555 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.839 -18.876 -2.802 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.581 -18.556 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 60 62.954 -19.264 -6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 60 61.870 -17.949 -6.332 1.00 0.00 H new ATOM 956 N ILE A 61 62.099 -15.105 -2.219 1.00 0.00 N ATOM 957 CA ILE A 61 61.830 -14.418 -0.960 1.00 0.00 C ATOM 958 C ILE A 61 60.411 -14.713 -0.481 1.00 0.00 C ATOM 959 O ILE A 61 59.466 -14.710 -1.271 1.00 0.00 O ATOM 960 CB ILE A 61 62.007 -12.910 -1.141 1.00 0.00 C ATOM 961 CG1 ILE A 61 63.493 -12.559 -1.042 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.237 -12.166 -0.045 1.00 0.00 C ATOM 963 CD1 ILE A 61 63.776 -11.301 -1.864 1.00 0.00 C ATOM 0 H ILE A 61 62.621 -14.555 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 61 62.536 -14.779 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 61 61.623 -12.615 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.770 -12.396 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.099 -13.389 -1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.365 -11.091 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 61 60.178 -12.416 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.620 -12.460 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.835 -11.051 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.514 -11.481 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.181 -10.473 -1.479 1.00 0.00 H new ATOM 975 N GLN A 62 60.270 -14.969 0.815 1.00 0.00 N ATOM 976 CA GLN A 62 58.961 -15.266 1.385 1.00 0.00 C ATOM 977 C GLN A 62 58.346 -14.013 1.999 1.00 0.00 C ATOM 978 O GLN A 62 59.020 -12.997 2.167 1.00 0.00 O ATOM 979 CB GLN A 62 59.093 -16.350 2.457 1.00 0.00 C ATOM 980 CG GLN A 62 59.874 -17.537 1.890 1.00 0.00 C ATOM 981 CD GLN A 62 59.166 -18.841 2.239 1.00 0.00 C ATOM 982 OE1 GLN A 62 59.105 -19.756 1.416 1.00 0.00 O ATOM 983 NE2 GLN A 62 58.627 -18.985 3.418 1.00 0.00 N ATOM 0 H GLN A 62 61.039 -14.977 1.486 1.00 0.00 H new ATOM 0 HA GLN A 62 58.310 -15.621 0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.604 -15.950 3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 62 58.105 -16.674 2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 62 59.964 -17.441 0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 62 60.886 -17.544 2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 62 58.678 -18.227 4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 62 58.154 -19.856 3.660 1.00 0.00 H new ATOM 992 N LYS A 63 57.063 -14.093 2.335 1.00 0.00 N ATOM 993 CA LYS A 63 56.367 -12.959 2.930 1.00 0.00 C ATOM 994 C LYS A 63 56.823 -12.747 4.370 1.00 0.00 C ATOM 995 O LYS A 63 57.601 -13.535 4.907 1.00 0.00 O ATOM 996 CB LYS A 63 54.856 -13.198 2.902 1.00 0.00 C ATOM 997 CG LYS A 63 54.559 -14.641 3.316 1.00 0.00 C ATOM 998 CD LYS A 63 53.066 -14.789 3.620 1.00 0.00 C ATOM 999 CE LYS A 63 52.752 -16.253 3.931 1.00 0.00 C ATOM 1000 NZ LYS A 63 51.739 -16.322 5.022 1.00 0.00 N ATOM 0 H LYS A 63 56.488 -14.925 2.207 1.00 0.00 H new ATOM 0 HA LYS A 63 56.604 -12.067 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.355 -12.504 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.466 -13.008 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 63 54.848 -15.326 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 63 55.148 -14.907 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 63 52.792 -14.159 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 63 52.475 -14.452 2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 63 52.376 -16.753 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 53.661 -16.776 4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 51.525 -17.317 5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 52.115 -15.859 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 50.870 -15.838 4.720 1.00 0.00 H new ATOM 1014 N GLU A 64 56.334 -11.677 4.990 1.00 0.00 N ATOM 1015 CA GLU A 64 56.699 -11.373 6.369 1.00 0.00 C ATOM 1016 C GLU A 64 58.208 -11.484 6.559 1.00 0.00 C ATOM 1017 O GLU A 64 58.690 -11.672 7.677 1.00 0.00 O ATOM 1018 CB GLU A 64 55.990 -12.335 7.321 1.00 0.00 C ATOM 1019 CG GLU A 64 54.565 -12.588 6.826 1.00 0.00 C ATOM 1020 CD GLU A 64 53.660 -12.948 8.000 1.00 0.00 C ATOM 1021 OE1 GLU A 64 52.453 -12.878 7.836 1.00 0.00 O ATOM 1022 OE2 GLU A 64 54.189 -13.288 9.046 1.00 0.00 O ATOM 0 H GLU A 64 55.690 -11.011 4.564 1.00 0.00 H new ATOM 0 HA GLU A 64 56.390 -10.351 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 64 56.538 -13.275 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 64 55.968 -11.917 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 64 54.184 -11.700 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 64 54.564 -13.396 6.094 1.00 0.00 H new ATOM 1029 N SER A 65 58.949 -11.368 5.463 1.00 0.00 N ATOM 1030 CA SER A 65 60.404 -11.457 5.520 1.00 0.00 C ATOM 1031 C SER A 65 61.014 -10.095 5.836 1.00 0.00 C ATOM 1032 O SER A 65 60.638 -9.084 5.243 1.00 0.00 O ATOM 1033 CB SER A 65 60.949 -11.965 4.186 1.00 0.00 C ATOM 1034 OG SER A 65 60.798 -13.376 4.124 1.00 0.00 O ATOM 0 H SER A 65 58.569 -11.213 4.529 1.00 0.00 H new ATOM 0 HA SER A 65 60.675 -12.155 6.312 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.417 -11.494 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 65 62.000 -11.695 4.083 1.00 0.00 H new ATOM 0 HG SER A 65 60.354 -13.621 3.286 1.00 0.00 H new ATOM 1040 N THR A 66 61.955 -10.077 6.774 1.00 0.00 N ATOM 1041 CA THR A 66 62.610 -8.832 7.161 1.00 0.00 C ATOM 1042 C THR A 66 63.804 -8.551 6.254 1.00 0.00 C ATOM 1043 O THR A 66 64.765 -9.321 6.223 1.00 0.00 O ATOM 1044 CB THR A 66 63.080 -8.919 8.614 1.00 0.00 C ATOM 1045 OG1 THR A 66 62.079 -9.555 9.397 1.00 0.00 O ATOM 1046 CG2 THR A 66 63.337 -7.513 9.156 1.00 0.00 C ATOM 0 H THR A 66 62.279 -10.903 7.277 1.00 0.00 H new ATOM 0 HA THR A 66 61.892 -8.018 7.060 1.00 0.00 H new ATOM 0 HB THR A 66 64.002 -9.498 8.663 1.00 0.00 H new ATOM 0 HG1 THR A 66 62.380 -9.613 10.328 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.672 -7.578 10.191 1.00 0.00 H new ATOM 0 HG22 THR A 66 64.106 -7.027 8.556 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.417 -6.931 9.108 1.00 0.00 H new ATOM 1054 N LEU A 67 63.736 -7.446 5.520 1.00 0.00 N ATOM 1055 CA LEU A 67 64.816 -7.070 4.613 1.00 0.00 C ATOM 1056 C LEU A 67 65.629 -5.919 5.200 1.00 0.00 C ATOM 1057 O LEU A 67 65.087 -5.050 5.883 1.00 0.00 O ATOM 1058 CB LEU A 67 64.237 -6.652 3.260 1.00 0.00 C ATOM 1059 CG LEU A 67 63.930 -7.900 2.428 1.00 0.00 C ATOM 1060 CD1 LEU A 67 62.685 -7.652 1.575 1.00 0.00 C ATOM 1061 CD2 LEU A 67 65.119 -8.207 1.514 1.00 0.00 C ATOM 0 H LEU A 67 62.949 -6.797 5.534 1.00 0.00 H new ATOM 0 HA LEU A 67 65.471 -7.931 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 67 63.329 -6.067 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.945 -6.014 2.731 1.00 0.00 H new ATOM 0 HG LEU A 67 63.752 -8.745 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 67 62.467 -8.541 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 67 61.837 -7.431 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 67 62.862 -6.807 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 67 64.902 -9.095 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 65.295 -7.361 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.008 -8.383 2.120 1.00 0.00 H new ATOM 1073 N HIS A 68 66.930 -5.922 4.930 1.00 0.00 N ATOM 1074 CA HIS A 68 67.808 -4.874 5.438 1.00 0.00 C ATOM 1075 C HIS A 68 68.057 -3.815 4.370 1.00 0.00 C ATOM 1076 O HIS A 68 68.500 -4.128 3.264 1.00 0.00 O ATOM 1077 CB HIS A 68 69.141 -5.479 5.881 1.00 0.00 C ATOM 1078 CG HIS A 68 68.906 -6.431 7.021 1.00 0.00 C ATOM 1079 ND1 HIS A 68 68.273 -7.650 6.847 1.00 0.00 N ATOM 1080 CD2 HIS A 68 69.212 -6.356 8.358 1.00 0.00 C ATOM 1081 CE1 HIS A 68 68.218 -8.255 8.048 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.777 -7.508 9.003 1.00 0.00 N ATOM 0 H HIS A 68 67.397 -6.633 4.367 1.00 0.00 H new ATOM 0 HA HIS A 68 67.321 -4.402 6.292 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.610 -6.002 5.047 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.827 -4.689 6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.714 -5.528 8.836 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.776 -9.226 8.218 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.866 -7.734 9.994 1.00 0.00 H new ATOM 1090 N LEU A 69 67.771 -2.560 4.709 1.00 0.00 N ATOM 1091 CA LEU A 69 67.968 -1.456 3.774 1.00 0.00 C ATOM 1092 C LEU A 69 69.142 -0.587 4.215 1.00 0.00 C ATOM 1093 O LEU A 69 69.239 -0.208 5.383 1.00 0.00 O ATOM 1094 CB LEU A 69 66.700 -0.601 3.705 1.00 0.00 C ATOM 1095 CG LEU A 69 66.839 0.448 2.598 1.00 0.00 C ATOM 1096 CD1 LEU A 69 65.840 0.148 1.481 1.00 0.00 C ATOM 1097 CD2 LEU A 69 66.554 1.837 3.176 1.00 0.00 C ATOM 0 H LEU A 69 67.404 -2.283 5.620 1.00 0.00 H new ATOM 0 HA LEU A 69 68.184 -1.870 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.834 -1.234 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.529 -0.111 4.663 1.00 0.00 H new ATOM 0 HG LEU A 69 67.852 0.420 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.940 0.895 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 69 66.040 -0.841 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.827 0.176 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 69 66.652 2.585 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 69 65.541 1.863 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.266 2.052 3.973 1.00 0.00 H new ATOM 1109 N VAL A 70 70.027 -0.275 3.272 1.00 0.00 N ATOM 1110 CA VAL A 70 71.193 0.553 3.569 1.00 0.00 C ATOM 1111 C VAL A 70 71.285 1.715 2.586 1.00 0.00 C ATOM 1112 O VAL A 70 70.991 1.563 1.400 1.00 0.00 O ATOM 1113 CB VAL A 70 72.467 -0.288 3.487 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.538 0.317 4.397 1.00 0.00 C ATOM 1115 CG2 VAL A 70 72.163 -1.718 3.940 1.00 0.00 C ATOM 0 H VAL A 70 69.960 -0.581 2.301 1.00 0.00 H new ATOM 0 HA VAL A 70 71.086 0.950 4.578 1.00 0.00 H new ATOM 0 HB VAL A 70 72.829 -0.300 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.446 -0.283 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.755 1.336 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.177 0.329 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.071 -2.319 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.802 -1.705 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.400 -2.150 3.293 1.00 0.00 H new ATOM 1125 N LEU A 71 71.694 2.876 3.089 1.00 0.00 N ATOM 1126 CA LEU A 71 71.822 4.061 2.248 1.00 0.00 C ATOM 1127 C LEU A 71 73.290 4.345 1.942 1.00 0.00 C ATOM 1128 O LEU A 71 74.057 4.712 2.830 1.00 0.00 O ATOM 1129 CB LEU A 71 71.203 5.270 2.952 1.00 0.00 C ATOM 1130 CG LEU A 71 69.811 4.903 3.471 1.00 0.00 C ATOM 1131 CD1 LEU A 71 69.203 6.106 4.194 1.00 0.00 C ATOM 1132 CD2 LEU A 71 68.913 4.511 2.295 1.00 0.00 C ATOM 0 H LEU A 71 71.941 3.021 4.068 1.00 0.00 H new ATOM 0 HA LEU A 71 71.296 3.877 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 71 71.839 5.587 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 71 71.135 6.111 2.261 1.00 0.00 H new ATOM 0 HG LEU A 71 69.892 4.064 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 71 68.211 5.845 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 71 69.841 6.387 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 71 69.123 6.944 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 71 67.922 4.250 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 71 68.833 5.350 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.344 3.654 1.778 1.00 0.00 H new ATOM 1144 N ARG A 72 73.668 4.172 0.680 1.00 0.00 N ATOM 1145 CA ARG A 72 75.046 4.413 0.267 1.00 0.00 C ATOM 1146 C ARG A 72 75.271 5.895 -0.009 1.00 0.00 C ATOM 1147 O ARG A 72 74.908 6.402 -1.069 1.00 0.00 O ATOM 1148 CB ARG A 72 75.359 3.603 -0.993 1.00 0.00 C ATOM 1149 CG ARG A 72 76.635 4.144 -1.643 1.00 0.00 C ATOM 1150 CD ARG A 72 77.263 3.057 -2.515 1.00 0.00 C ATOM 1151 NE ARG A 72 76.271 2.513 -3.434 1.00 0.00 N ATOM 1152 CZ ARG A 72 76.635 1.927 -4.571 1.00 0.00 C ATOM 1153 NH1 ARG A 72 75.726 1.451 -5.378 1.00 0.00 N ATOM 1154 NH2 ARG A 72 77.899 1.828 -4.877 1.00 0.00 N ATOM 0 H ARG A 72 73.046 3.868 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 72 75.709 4.102 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 72 75.485 2.550 -0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 72 74.527 3.665 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 72 76.404 5.022 -2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 72 77.340 4.462 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 72 78.101 3.470 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 72 77.662 2.261 -1.886 1.00 0.00 H new ATOM 0 HE ARG A 72 75.280 2.583 -3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 72 74.738 1.529 -5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 72 76.004 1.001 -6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 72 78.608 2.200 -4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 72 78.179 1.379 -5.749 1.00 0.00 H new ATOM 1168 N LEU A 73 75.872 6.585 0.956 1.00 0.00 N ATOM 1169 CA LEU A 73 76.141 8.011 0.807 1.00 0.00 C ATOM 1170 C LEU A 73 74.862 8.764 0.455 1.00 0.00 C ATOM 1171 O LEU A 73 74.367 8.675 -0.668 1.00 0.00 O ATOM 1172 CB LEU A 73 77.186 8.236 -0.288 1.00 0.00 C ATOM 1173 CG LEU A 73 78.585 8.206 0.328 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.803 6.868 1.039 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.632 8.369 -0.778 1.00 0.00 C ATOM 0 H LEU A 73 76.180 6.184 1.842 1.00 0.00 H new ATOM 0 HA LEU A 73 76.523 8.389 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.098 7.465 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.014 9.194 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 73 78.682 9.020 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.801 6.847 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.058 6.748 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.706 6.054 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.630 8.348 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.533 7.554 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.479 9.321 -1.286 1.00 0.00 H new ATOM 1187 N ARG A 74 74.333 9.506 1.422 1.00 0.00 N ATOM 1188 CA ARG A 74 73.111 10.271 1.204 1.00 0.00 C ATOM 1189 C ARG A 74 73.410 11.548 0.425 1.00 0.00 C ATOM 1190 O ARG A 74 74.197 12.385 0.867 1.00 0.00 O ATOM 1191 CB ARG A 74 72.469 10.628 2.546 1.00 0.00 C ATOM 1192 CG ARG A 74 72.305 9.359 3.386 1.00 0.00 C ATOM 1193 CD ARG A 74 71.570 9.698 4.685 1.00 0.00 C ATOM 1194 NE ARG A 74 72.414 9.391 5.836 1.00 0.00 N ATOM 1195 CZ ARG A 74 72.220 9.988 7.006 1.00 0.00 C ATOM 1196 NH1 ARG A 74 72.986 9.696 8.023 1.00 0.00 N ATOM 1197 NH2 ARG A 74 71.265 10.867 7.141 1.00 0.00 N ATOM 0 H ARG A 74 74.728 9.594 2.358 1.00 0.00 H new ATOM 0 HA ARG A 74 72.421 9.658 0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 74 73.088 11.351 3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 74 71.499 11.098 2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 74 71.747 8.609 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 74 73.282 8.929 3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 74 71.300 10.754 4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 74 70.641 9.131 4.744 1.00 0.00 H new ATOM 0 HE ARG A 74 73.165 8.707 5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 74 73.733 9.009 7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 74 72.837 10.155 8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 74 70.667 11.096 6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 74 71.117 11.325 8.040 1.00 0.00 H new ATOM 1211 N GLY A 75 72.776 11.692 -0.734 1.00 0.00 N ATOM 1212 CA GLY A 75 72.982 12.872 -1.565 1.00 0.00 C ATOM 1213 C GLY A 75 74.254 12.738 -2.396 1.00 0.00 C ATOM 1214 O GLY A 75 75.177 12.013 -2.024 1.00 0.00 O ATOM 0 H GLY A 75 72.120 11.011 -1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 75 72.125 13.011 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.047 13.759 -0.935 1.00 0.00 H new ATOM 1218 N GLY A 76 74.296 13.442 -3.523 1.00 0.00 N ATOM 1219 CA GLY A 76 75.462 13.395 -4.399 1.00 0.00 C ATOM 1220 C GLY A 76 75.802 14.783 -4.930 1.00 0.00 C ATOM 1221 O GLY A 76 75.085 15.257 -5.796 1.00 0.00 O ATOM 1222 OXT GLY A 76 76.773 15.352 -4.462 1.00 0.00 O ATOM 0 H GLY A 76 73.543 14.047 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 76 76.315 12.991 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 76 75.268 12.720 -5.233 1.00 0.00 H new TER 1226 GLY A 76