USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -158:sc= -0.0359 (180deg=-0.221) USER MOD Single : A 5 THR OG1 : rot 46:sc= 0.284 USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00745) USER MOD Single : A 11 THR OG1 : rot 162:sc= -1.63 USER MOD Single : A 13 LYS NZ :NH3+ -139:sc= -1.28 (180deg=-3.66!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -1.39 (180deg=-1.63) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0425) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -169:sc= -0.992 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.564 K(o=-0.56,f=-5.6!) USER MOD Single : A 50 SER OG : rot 65:sc= 0.671 USER MOD Single : A 51 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.14) USER MOD Single : A 52 HIS : no HE2:sc= -2.7 K(o=-2.7,f=-3.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0499 X(o=-0.05,f=0) USER MOD Single : A 61 SER OG : rot -100:sc= 0.322 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 78 HIS : no HD1:sc= -0.562 X(o=-0.56,f=-0.14) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 82 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.329) USER MOD Single : A 87 HIS : no HD1:sc= -0.957 X(o=-0.96,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -9.591 19.581 -6.044 1.00 0.00 N ATOM 2 CA LEU A 1 -10.607 19.968 -5.029 1.00 0.00 C ATOM 3 C LEU A 1 -11.838 19.069 -5.114 1.00 0.00 C ATOM 4 O LEU A 1 -12.955 19.546 -5.314 1.00 0.00 O ATOM 5 CB LEU A 1 -10.998 21.429 -5.264 1.00 0.00 C ATOM 6 CG LEU A 1 -11.248 22.245 -3.996 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.268 21.551 -3.106 1.00 0.00 C ATOM 8 CD2 LEU A 1 -9.945 22.469 -3.243 1.00 0.00 C ATOM 0 H1 LEU A 1 -8.655 19.924 -5.747 1.00 0.00 H new ATOM 0 H2 LEU A 1 -9.568 18.545 -6.134 1.00 0.00 H new ATOM 0 H3 LEU A 1 -9.839 20.003 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 1 -10.183 19.850 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -10.208 21.912 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -11.899 21.454 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 1 -11.651 23.216 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -12.433 22.147 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -13.208 21.442 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -11.895 20.566 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.141 23.052 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -9.515 21.507 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.245 23.010 -3.880 1.00 0.00 H new ATOM 22 N PHE A 2 -11.624 17.767 -4.960 1.00 0.00 N ATOM 23 CA PHE A 2 -12.715 16.801 -5.019 1.00 0.00 C ATOM 24 C PHE A 2 -12.364 15.538 -4.240 1.00 0.00 C ATOM 25 O PHE A 2 -13.146 15.066 -3.415 1.00 0.00 O ATOM 26 CB PHE A 2 -13.031 16.446 -6.472 1.00 0.00 C ATOM 27 CG PHE A 2 -11.826 16.022 -7.264 1.00 0.00 C ATOM 28 CD1 PHE A 2 -10.815 16.926 -7.549 1.00 0.00 C ATOM 29 CD2 PHE A 2 -11.705 14.720 -7.721 1.00 0.00 C ATOM 30 CE1 PHE A 2 -9.705 16.539 -8.276 1.00 0.00 C ATOM 31 CE2 PHE A 2 -10.597 14.327 -8.449 1.00 0.00 C ATOM 32 CZ PHE A 2 -9.596 15.237 -8.727 1.00 0.00 C ATOM 0 H PHE A 2 -10.705 17.356 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 2 -13.595 17.255 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -13.768 15.643 -6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -13.489 17.308 -6.957 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.895 17.945 -7.199 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -12.485 14.004 -7.506 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -8.924 17.253 -8.491 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -10.514 13.309 -8.800 1.00 0.00 H new ATOM 0 HZ PHE A 2 -8.730 14.932 -9.296 1.00 0.00 H new ATOM 42 N ILE A 3 -11.182 14.994 -4.509 1.00 0.00 N ATOM 43 CA ILE A 3 -10.723 13.786 -3.835 1.00 0.00 C ATOM 44 C ILE A 3 -9.317 13.409 -4.289 1.00 0.00 C ATOM 45 O ILE A 3 -8.902 13.741 -5.399 1.00 0.00 O ATOM 46 CB ILE A 3 -11.677 12.601 -4.092 1.00 0.00 C ATOM 47 CG1 ILE A 3 -11.226 11.368 -3.305 1.00 0.00 C ATOM 48 CG2 ILE A 3 -11.755 12.290 -5.580 1.00 0.00 C ATOM 49 CD1 ILE A 3 -12.344 10.389 -3.019 1.00 0.00 C ATOM 0 H ILE A 3 -10.524 15.372 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 3 -10.710 14.001 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.673 12.880 -3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.442 10.858 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.787 11.691 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.432 11.452 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.125 13.164 -6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.763 12.031 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.951 9.541 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -13.119 10.883 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.769 10.037 -3.959 1.00 0.00 H new ATOM 61 N ALA A 4 -8.587 12.712 -3.423 1.00 0.00 N ATOM 62 CA ALA A 4 -7.227 12.291 -3.736 1.00 0.00 C ATOM 63 C ALA A 4 -7.170 10.802 -4.056 1.00 0.00 C ATOM 64 O ALA A 4 -7.296 9.960 -3.166 1.00 0.00 O ATOM 65 CB ALA A 4 -6.294 12.620 -2.580 1.00 0.00 C ATOM 0 H ALA A 4 -8.915 12.427 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.900 12.837 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.282 12.300 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.301 13.695 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.630 12.101 -1.682 1.00 0.00 H new ATOM 71 N THR A 5 -6.979 10.482 -5.331 1.00 0.00 N ATOM 72 CA THR A 5 -6.905 9.093 -5.769 1.00 0.00 C ATOM 73 C THR A 5 -5.853 8.921 -6.860 1.00 0.00 C ATOM 74 O THR A 5 -6.096 9.235 -8.025 1.00 0.00 O ATOM 75 CB THR A 5 -8.266 8.623 -6.282 1.00 0.00 C ATOM 76 OG1 THR A 5 -8.806 9.558 -7.200 1.00 0.00 O ATOM 77 CG2 THR A 5 -9.284 8.423 -5.179 1.00 0.00 C ATOM 0 H THR A 5 -6.873 11.166 -6.080 1.00 0.00 H new ATOM 0 HA THR A 5 -6.618 8.485 -4.911 1.00 0.00 H new ATOM 0 HB THR A 5 -8.079 7.662 -6.761 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.114 9.824 -7.841 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.228 8.089 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.919 7.671 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.439 9.364 -4.652 1.00 0.00 H new ATOM 85 N LEU A 6 -4.686 8.417 -6.474 1.00 0.00 N ATOM 86 CA LEU A 6 -3.597 8.199 -7.419 1.00 0.00 C ATOM 87 C LEU A 6 -3.175 6.734 -7.428 1.00 0.00 C ATOM 88 O LEU A 6 -3.402 6.007 -6.461 1.00 0.00 O ATOM 89 CB LEU A 6 -2.401 9.086 -7.065 1.00 0.00 C ATOM 90 CG LEU A 6 -2.725 10.570 -6.882 1.00 0.00 C ATOM 91 CD1 LEU A 6 -3.214 10.839 -5.467 1.00 0.00 C ATOM 92 CD2 LEU A 6 -1.507 11.424 -7.197 1.00 0.00 C ATOM 0 H LEU A 6 -4.470 8.152 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.952 8.463 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.951 8.712 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.651 8.988 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.521 10.837 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.440 11.900 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.114 10.255 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.439 10.556 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.756 12.477 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.691 11.155 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.200 11.254 -8.229 1.00 0.00 H new ATOM 104 N LYS A 7 -2.561 6.306 -8.526 1.00 0.00 N ATOM 105 CA LYS A 7 -2.109 4.926 -8.659 1.00 0.00 C ATOM 106 C LYS A 7 -0.760 4.859 -9.368 1.00 0.00 C ATOM 107 O LYS A 7 -0.556 5.504 -10.396 1.00 0.00 O ATOM 108 CB LYS A 7 -3.142 4.102 -9.428 1.00 0.00 C ATOM 109 CG LYS A 7 -4.509 4.068 -8.764 1.00 0.00 C ATOM 110 CD LYS A 7 -5.388 5.216 -9.237 1.00 0.00 C ATOM 111 CE LYS A 7 -6.847 4.800 -9.326 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.402 4.439 -7.992 1.00 0.00 N ATOM 0 H LYS A 7 -2.365 6.894 -9.336 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.993 4.511 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.245 4.511 -10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.774 3.082 -9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.998 3.119 -8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.390 4.121 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.290 6.057 -8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.046 5.559 -10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.432 5.614 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.942 3.950 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.412 4.210 -8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.893 3.613 -7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.289 5.241 -7.340 1.00 0.00 H new ATOM 126 N GLY A 8 0.157 4.076 -8.811 1.00 0.00 N ATOM 127 CA GLY A 8 1.474 3.938 -9.402 1.00 0.00 C ATOM 128 C GLY A 8 1.788 2.508 -9.794 1.00 0.00 C ATOM 129 O GLY A 8 1.139 1.572 -9.325 1.00 0.00 O ATOM 0 H GLY A 8 0.011 3.534 -7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.542 4.576 -10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.225 4.291 -8.695 1.00 0.00 H new ATOM 133 N ILE A 9 2.785 2.339 -10.654 1.00 0.00 N ATOM 134 CA ILE A 9 3.188 1.013 -11.108 1.00 0.00 C ATOM 135 C ILE A 9 4.692 0.819 -10.965 1.00 0.00 C ATOM 136 O ILE A 9 5.477 1.713 -11.284 1.00 0.00 O ATOM 137 CB ILE A 9 2.789 0.775 -12.577 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.324 1.151 -12.801 1.00 0.00 C ATOM 139 CG2 ILE A 9 3.032 -0.678 -12.962 1.00 0.00 C ATOM 140 CD1 ILE A 9 0.353 0.297 -12.015 1.00 0.00 C ATOM 0 H ILE A 9 3.330 3.104 -11.052 1.00 0.00 H new ATOM 0 HA ILE A 9 2.668 0.292 -10.478 1.00 0.00 H new ATOM 0 HB ILE A 9 3.407 1.410 -13.212 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.180 2.196 -12.527 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.094 1.065 -13.863 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.746 -0.831 -14.002 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.088 -0.916 -12.838 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.436 -1.329 -12.322 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.667 0.620 -12.223 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.469 -0.747 -12.306 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.556 0.402 -10.949 1.00 0.00 H new ATOM 152 N PHE A 10 5.089 -0.353 -10.485 1.00 0.00 N ATOM 153 CA PHE A 10 6.501 -0.665 -10.301 1.00 0.00 C ATOM 154 C PHE A 10 6.908 -1.866 -11.151 1.00 0.00 C ATOM 155 O PHE A 10 7.253 -2.925 -10.628 1.00 0.00 O ATOM 156 CB PHE A 10 6.796 -0.940 -8.824 1.00 0.00 C ATOM 157 CG PHE A 10 7.194 0.288 -8.056 1.00 0.00 C ATOM 158 CD1 PHE A 10 6.410 1.430 -8.095 1.00 0.00 C ATOM 159 CD2 PHE A 10 8.354 0.302 -7.297 1.00 0.00 C ATOM 160 CE1 PHE A 10 6.773 2.562 -7.392 1.00 0.00 C ATOM 161 CE2 PHE A 10 8.723 1.432 -6.592 1.00 0.00 C ATOM 162 CZ PHE A 10 7.931 2.564 -6.639 1.00 0.00 C ATOM 0 H PHE A 10 4.453 -1.104 -10.216 1.00 0.00 H new ATOM 0 HA PHE A 10 7.085 0.197 -10.624 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.913 -1.379 -8.360 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.594 -1.679 -8.752 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.504 1.435 -8.682 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.976 -0.580 -7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.152 3.445 -7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.629 1.431 -6.005 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.217 3.448 -6.088 1.00 0.00 H new ATOM 172 N THR A 11 6.862 -1.690 -12.467 1.00 0.00 N ATOM 173 CA THR A 11 7.223 -2.754 -13.396 1.00 0.00 C ATOM 174 C THR A 11 8.721 -3.014 -13.368 1.00 0.00 C ATOM 175 O THR A 11 9.512 -2.129 -13.022 1.00 0.00 O ATOM 176 CB THR A 11 6.774 -2.398 -14.813 1.00 0.00 C ATOM 177 OG1 THR A 11 7.590 -1.374 -15.355 1.00 0.00 O ATOM 178 CG2 THR A 11 5.339 -1.924 -14.883 1.00 0.00 C ATOM 0 H THR A 11 6.578 -0.819 -12.915 1.00 0.00 H new ATOM 0 HA THR A 11 6.712 -3.665 -13.084 1.00 0.00 H new ATOM 0 HB THR A 11 6.865 -3.321 -15.386 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.490 -1.357 -16.330 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.084 -1.688 -15.916 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.678 -2.709 -14.516 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.220 -1.033 -14.267 1.00 0.00 H new ATOM 186 N LEU A 12 9.098 -4.243 -13.717 1.00 0.00 N ATOM 187 CA LEU A 12 10.498 -4.647 -13.723 1.00 0.00 C ATOM 188 C LEU A 12 11.124 -4.396 -12.366 1.00 0.00 C ATOM 189 O LEU A 12 10.703 -3.486 -11.657 1.00 0.00 O ATOM 190 CB LEU A 12 11.277 -3.899 -14.809 1.00 0.00 C ATOM 191 CG LEU A 12 10.690 -3.985 -16.222 1.00 0.00 C ATOM 192 CD1 LEU A 12 10.208 -5.398 -16.526 1.00 0.00 C ATOM 193 CD2 LEU A 12 9.555 -2.985 -16.389 1.00 0.00 C ATOM 0 H LEU A 12 8.449 -4.977 -14.000 1.00 0.00 H new ATOM 0 HA LEU A 12 10.543 -5.714 -13.941 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.343 -2.849 -14.526 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.295 -4.287 -14.833 1.00 0.00 H new ATOM 0 HG LEU A 12 11.478 -3.736 -16.933 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.796 -5.433 -17.534 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.045 -6.092 -16.452 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.437 -5.682 -15.809 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.150 -3.060 -17.398 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.769 -3.202 -15.665 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.932 -1.976 -16.223 1.00 0.00 H new ATOM 205 N LYS A 13 12.121 -5.212 -12.000 1.00 0.00 N ATOM 206 CA LYS A 13 12.790 -5.078 -10.712 1.00 0.00 C ATOM 207 C LYS A 13 12.289 -3.822 -10.060 1.00 0.00 C ATOM 208 O LYS A 13 12.859 -2.744 -10.218 1.00 0.00 O ATOM 209 CB LYS A 13 14.310 -5.027 -10.879 1.00 0.00 C ATOM 210 CG LYS A 13 15.055 -5.953 -9.929 1.00 0.00 C ATOM 211 CD LYS A 13 14.639 -5.727 -8.481 1.00 0.00 C ATOM 212 CE LYS A 13 13.937 -6.947 -7.905 1.00 0.00 C ATOM 213 NZ LYS A 13 12.454 -6.805 -7.936 1.00 0.00 N ATOM 0 H LYS A 13 12.478 -5.970 -12.582 1.00 0.00 H new ATOM 0 HA LYS A 13 12.566 -5.945 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.564 -5.291 -11.905 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.651 -4.004 -10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.862 -6.990 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.128 -5.790 -10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.519 -5.495 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.977 -4.863 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.228 -7.833 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.265 -7.102 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.051 -7.172 -7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.203 -5.801 -8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.071 -7.342 -8.740 1.00 0.00 H new ATOM 227 N ASP A 14 11.149 -3.997 -9.408 1.00 0.00 N ATOM 228 CA ASP A 14 10.397 -2.912 -8.779 1.00 0.00 C ATOM 229 C ASP A 14 11.139 -1.587 -8.856 1.00 0.00 C ATOM 230 O ASP A 14 11.650 -1.072 -7.861 1.00 0.00 O ATOM 231 CB ASP A 14 10.103 -3.262 -7.323 1.00 0.00 C ATOM 232 CG ASP A 14 11.366 -3.430 -6.499 1.00 0.00 C ATOM 233 OD1 ASP A 14 12.446 -3.616 -7.098 1.00 0.00 O ATOM 234 OD2 ASP A 14 11.274 -3.374 -5.254 1.00 0.00 O ATOM 0 H ASP A 14 10.710 -4.911 -9.297 1.00 0.00 H new ATOM 0 HA ASP A 14 9.461 -2.796 -9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.487 -2.479 -6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.523 -4.184 -7.284 1.00 0.00 H new ATOM 239 N LEU A 15 11.186 -1.048 -10.078 1.00 0.00 N ATOM 240 CA LEU A 15 11.861 0.219 -10.339 1.00 0.00 C ATOM 241 C LEU A 15 11.332 1.326 -9.426 1.00 0.00 C ATOM 242 O LEU A 15 10.180 1.744 -9.550 1.00 0.00 O ATOM 243 CB LEU A 15 11.679 0.624 -11.803 1.00 0.00 C ATOM 244 CG LEU A 15 12.365 1.931 -12.202 1.00 0.00 C ATOM 245 CD1 LEU A 15 13.877 1.782 -12.134 1.00 0.00 C ATOM 246 CD2 LEU A 15 11.932 2.355 -13.596 1.00 0.00 C ATOM 0 H LEU A 15 10.762 -1.474 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 15 12.922 0.081 -10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.061 -0.177 -12.436 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.613 0.713 -12.010 1.00 0.00 H new ATOM 0 HG LEU A 15 12.065 2.707 -11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.349 2.722 -12.421 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.172 1.524 -11.117 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.196 0.993 -12.815 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.430 3.287 -13.864 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.203 1.580 -14.313 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.852 2.503 -13.612 1.00 0.00 H new ATOM 258 N PRO A 16 12.169 1.820 -8.493 1.00 0.00 N ATOM 259 CA PRO A 16 11.775 2.881 -7.563 1.00 0.00 C ATOM 260 C PRO A 16 11.813 4.259 -8.213 1.00 0.00 C ATOM 261 O PRO A 16 12.757 5.026 -8.015 1.00 0.00 O ATOM 262 CB PRO A 16 12.827 2.780 -6.463 1.00 0.00 C ATOM 263 CG PRO A 16 14.046 2.280 -7.161 1.00 0.00 C ATOM 264 CD PRO A 16 13.561 1.383 -8.270 1.00 0.00 C ATOM 0 HA PRO A 16 10.751 2.763 -7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.006 3.748 -5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.513 2.097 -5.674 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.633 3.108 -7.559 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.691 1.734 -6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.165 1.497 -9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.610 0.332 -7.985 1.00 0.00 H new ATOM 272 N GLU A 17 10.780 4.569 -8.991 1.00 0.00 N ATOM 273 CA GLU A 17 10.690 5.856 -9.675 1.00 0.00 C ATOM 274 C GLU A 17 10.972 7.012 -8.719 1.00 0.00 C ATOM 275 O GLU A 17 11.441 8.073 -9.132 1.00 0.00 O ATOM 276 CB GLU A 17 9.305 6.026 -10.304 1.00 0.00 C ATOM 277 CG GLU A 17 9.309 6.885 -11.559 1.00 0.00 C ATOM 278 CD GLU A 17 8.428 6.316 -12.656 1.00 0.00 C ATOM 279 OE1 GLU A 17 8.887 5.403 -13.373 1.00 0.00 O ATOM 280 OE2 GLU A 17 7.280 6.786 -12.797 1.00 0.00 O ATOM 0 H GLU A 17 9.992 3.945 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 17 11.446 5.871 -10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.902 5.043 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.634 6.472 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.969 7.890 -11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.330 6.977 -11.929 1.00 0.00 H new ATOM 287 N GLU A 18 10.685 6.800 -7.439 1.00 0.00 N ATOM 288 CA GLU A 18 10.910 7.823 -6.425 1.00 0.00 C ATOM 289 C GLU A 18 12.372 8.235 -6.384 1.00 0.00 C ATOM 290 O GLU A 18 12.714 9.393 -6.628 1.00 0.00 O ATOM 291 CB GLU A 18 10.471 7.315 -5.051 1.00 0.00 C ATOM 292 CG GLU A 18 10.360 8.412 -4.004 1.00 0.00 C ATOM 293 CD GLU A 18 9.112 9.257 -4.173 1.00 0.00 C ATOM 294 OE1 GLU A 18 8.658 9.420 -5.326 1.00 0.00 O ATOM 295 OE2 GLU A 18 8.589 9.754 -3.154 1.00 0.00 O ATOM 0 H GLU A 18 10.296 5.928 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 18 10.314 8.697 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.506 6.818 -5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.183 6.565 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.358 7.962 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.239 9.054 -4.061 1.00 0.00 H new ATOM 302 N PHE A 19 13.224 7.276 -6.074 1.00 0.00 N ATOM 303 CA PHE A 19 14.662 7.515 -5.995 1.00 0.00 C ATOM 304 C PHE A 19 15.433 6.198 -5.938 1.00 0.00 C ATOM 305 O PHE A 19 15.964 5.736 -6.948 1.00 0.00 O ATOM 306 CB PHE A 19 14.992 8.370 -4.768 1.00 0.00 C ATOM 307 CG PHE A 19 14.843 9.846 -5.006 1.00 0.00 C ATOM 308 CD1 PHE A 19 15.726 10.521 -5.835 1.00 0.00 C ATOM 309 CD2 PHE A 19 13.820 10.558 -4.400 1.00 0.00 C ATOM 310 CE1 PHE A 19 15.589 11.878 -6.056 1.00 0.00 C ATOM 311 CE2 PHE A 19 13.680 11.915 -4.617 1.00 0.00 C ATOM 312 CZ PHE A 19 14.566 12.576 -5.447 1.00 0.00 C ATOM 0 H PHE A 19 12.947 6.316 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 19 14.965 8.051 -6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.341 8.076 -3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 19 16.015 8.162 -4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 19 16.529 9.980 -6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 19 13.125 10.046 -3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 19 16.282 12.392 -6.705 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.879 12.459 -4.139 1.00 0.00 H new ATOM 0 HZ PHE A 19 14.458 13.637 -5.619 1.00 0.00 H new ATOM 322 N ARG A 20 15.494 5.598 -4.752 1.00 0.00 N ATOM 323 CA ARG A 20 16.202 4.336 -4.567 1.00 0.00 C ATOM 324 C ARG A 20 15.224 3.211 -4.219 1.00 0.00 C ATOM 325 O ARG A 20 14.102 3.470 -3.784 1.00 0.00 O ATOM 326 CB ARG A 20 17.276 4.485 -3.478 1.00 0.00 C ATOM 327 CG ARG A 20 16.741 4.459 -2.051 1.00 0.00 C ATOM 328 CD ARG A 20 17.620 3.609 -1.146 1.00 0.00 C ATOM 329 NE ARG A 20 17.778 4.200 0.182 1.00 0.00 N ATOM 330 CZ ARG A 20 18.495 5.293 0.427 1.00 0.00 C ATOM 331 NH1 ARG A 20 19.116 5.923 -0.563 1.00 0.00 N ATOM 332 NH2 ARG A 20 18.592 5.759 1.664 1.00 0.00 N ATOM 0 H ARG A 20 15.061 5.966 -3.905 1.00 0.00 H new ATOM 0 HA ARG A 20 16.694 4.073 -5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 20 18.005 3.683 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.807 5.424 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.690 5.476 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.725 4.065 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.185 2.614 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.600 3.485 -1.606 1.00 0.00 H new ATOM 0 HE ARG A 20 17.310 3.747 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.044 5.569 -1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.665 6.761 -0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.117 5.279 2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 20 19.142 6.597 1.852 1.00 0.00 H new ATOM 346 N PRO A 21 15.634 1.944 -4.413 1.00 0.00 N ATOM 347 CA PRO A 21 14.790 0.782 -4.124 1.00 0.00 C ATOM 348 C PRO A 21 14.106 0.874 -2.764 1.00 0.00 C ATOM 349 O PRO A 21 14.732 0.657 -1.726 1.00 0.00 O ATOM 350 CB PRO A 21 15.769 -0.405 -4.156 1.00 0.00 C ATOM 351 CG PRO A 21 17.133 0.193 -4.284 1.00 0.00 C ATOM 352 CD PRO A 21 16.942 1.533 -4.930 1.00 0.00 C ATOM 0 HA PRO A 21 13.975 0.694 -4.843 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.688 -1.003 -3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.553 -1.067 -4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.607 0.295 -3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.781 -0.442 -4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 21 17.728 2.235 -4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.946 1.465 -6.018 1.00 0.00 H new ATOM 360 N PHE A 22 12.815 1.188 -2.778 1.00 0.00 N ATOM 361 CA PHE A 22 12.039 1.299 -1.548 1.00 0.00 C ATOM 362 C PHE A 22 11.317 -0.011 -1.253 1.00 0.00 C ATOM 363 O PHE A 22 11.398 -0.539 -0.144 1.00 0.00 O ATOM 364 CB PHE A 22 11.029 2.443 -1.656 1.00 0.00 C ATOM 365 CG PHE A 22 10.157 2.594 -0.442 1.00 0.00 C ATOM 366 CD1 PHE A 22 10.680 3.072 0.748 1.00 0.00 C ATOM 367 CD2 PHE A 22 8.814 2.255 -0.492 1.00 0.00 C ATOM 368 CE1 PHE A 22 9.880 3.210 1.867 1.00 0.00 C ATOM 369 CE2 PHE A 22 8.009 2.391 0.623 1.00 0.00 C ATOM 370 CZ PHE A 22 8.543 2.869 1.805 1.00 0.00 C ATOM 0 H PHE A 22 12.283 1.370 -3.629 1.00 0.00 H new ATOM 0 HA PHE A 22 12.724 1.513 -0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.567 3.376 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.397 2.277 -2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.725 3.340 0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.392 1.880 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.300 3.584 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.964 2.124 0.571 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.916 2.976 2.678 1.00 0.00 H new ATOM 380 N VAL A 23 10.618 -0.532 -2.256 1.00 0.00 N ATOM 381 CA VAL A 23 9.888 -1.786 -2.108 1.00 0.00 C ATOM 382 C VAL A 23 10.815 -2.986 -2.273 1.00 0.00 C ATOM 383 O VAL A 23 10.411 -4.127 -2.043 1.00 0.00 O ATOM 384 CB VAL A 23 8.740 -1.895 -3.128 1.00 0.00 C ATOM 385 CG1 VAL A 23 7.868 -3.103 -2.823 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.911 -0.619 -3.138 1.00 0.00 C ATOM 0 H VAL A 23 10.542 -0.106 -3.179 1.00 0.00 H new ATOM 0 HA VAL A 23 9.470 -1.789 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 23 9.171 -2.028 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.062 -3.164 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.472 -4.009 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.444 -3.003 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.104 -0.715 -3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.489 -0.452 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.545 0.225 -3.409 1.00 0.00 H new ATOM 396 N ASP A 24 12.062 -2.727 -2.663 1.00 0.00 N ATOM 397 CA ASP A 24 13.041 -3.793 -2.844 1.00 0.00 C ATOM 398 C ASP A 24 13.102 -4.681 -1.606 1.00 0.00 C ATOM 399 O ASP A 24 13.438 -5.861 -1.691 1.00 0.00 O ATOM 400 CB ASP A 24 14.423 -3.205 -3.135 1.00 0.00 C ATOM 401 CG ASP A 24 15.444 -4.272 -3.477 1.00 0.00 C ATOM 402 OD1 ASP A 24 15.886 -4.987 -2.555 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.801 -4.391 -4.668 1.00 0.00 O ATOM 0 H ASP A 24 12.416 -1.791 -2.859 1.00 0.00 H new ATOM 0 HA ASP A 24 12.731 -4.400 -3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.348 -2.499 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.766 -2.643 -2.267 1.00 0.00 H new ATOM 408 N TYR A 25 12.767 -4.103 -0.455 1.00 0.00 N ATOM 409 CA TYR A 25 12.776 -4.843 0.799 1.00 0.00 C ATOM 410 C TYR A 25 11.784 -5.999 0.738 1.00 0.00 C ATOM 411 O TYR A 25 12.052 -7.087 1.247 1.00 0.00 O ATOM 412 CB TYR A 25 12.454 -3.910 1.974 1.00 0.00 C ATOM 413 CG TYR A 25 10.977 -3.630 2.161 1.00 0.00 C ATOM 414 CD1 TYR A 25 10.254 -2.934 1.199 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.308 -4.060 3.300 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.907 -2.676 1.368 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.961 -3.806 3.476 1.00 0.00 C ATOM 418 CZ TYR A 25 8.266 -3.114 2.507 1.00 0.00 C ATOM 419 OH TYR A 25 6.923 -2.859 2.679 1.00 0.00 O ATOM 0 H TYR A 25 12.487 -3.126 -0.367 1.00 0.00 H new ATOM 0 HA TYR A 25 13.773 -5.255 0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.847 -4.350 2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.975 -2.964 1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.753 -2.589 0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.850 -4.602 4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.359 -2.134 0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.456 -4.148 4.367 1.00 0.00 H new ATOM 0 HH TYR A 25 6.625 -3.236 3.533 1.00 0.00 H new ATOM 429 N LYS A 26 10.643 -5.760 0.098 1.00 0.00 N ATOM 430 CA LYS A 26 9.627 -6.794 -0.043 1.00 0.00 C ATOM 431 C LYS A 26 10.126 -7.890 -0.975 1.00 0.00 C ATOM 432 O LYS A 26 9.735 -9.051 -0.855 1.00 0.00 O ATOM 433 CB LYS A 26 8.323 -6.198 -0.577 1.00 0.00 C ATOM 434 CG LYS A 26 7.078 -6.897 -0.054 1.00 0.00 C ATOM 435 CD LYS A 26 5.920 -6.786 -1.034 1.00 0.00 C ATOM 436 CE LYS A 26 5.187 -8.110 -1.187 1.00 0.00 C ATOM 437 NZ LYS A 26 3.723 -7.964 -0.959 1.00 0.00 N ATOM 0 H LYS A 26 10.401 -4.865 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 26 9.431 -7.225 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.278 -5.143 -0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.328 -6.249 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.300 -7.948 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.789 -6.460 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.223 -6.021 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.294 -6.462 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.361 -8.508 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.594 -8.834 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.237 -8.836 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.545 -7.790 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.363 -7.163 -1.517 1.00 0.00 H new ATOM 451 N ALA A 27 11.010 -7.512 -1.895 1.00 0.00 N ATOM 452 CA ALA A 27 11.584 -8.461 -2.838 1.00 0.00 C ATOM 453 C ALA A 27 12.594 -9.366 -2.139 1.00 0.00 C ATOM 454 O ALA A 27 12.915 -10.448 -2.628 1.00 0.00 O ATOM 455 CB ALA A 27 12.240 -7.724 -3.996 1.00 0.00 C ATOM 0 H ALA A 27 11.343 -6.554 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 27 10.782 -9.084 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.665 -8.446 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.494 -7.118 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.032 -7.079 -3.615 1.00 0.00 H new ATOM 461 N GLY A 28 13.091 -8.914 -0.988 1.00 0.00 N ATOM 462 CA GLY A 28 14.056 -9.695 -0.237 1.00 0.00 C ATOM 463 C GLY A 28 13.790 -9.657 1.257 1.00 0.00 C ATOM 464 O GLY A 28 14.722 -9.685 2.061 1.00 0.00 O ATOM 0 H GLY A 28 12.841 -8.021 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.031 -10.729 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.059 -9.317 -0.435 1.00 0.00 H new ATOM 468 N LEU A 29 12.513 -9.588 1.627 1.00 0.00 N ATOM 469 CA LEU A 29 12.121 -9.542 3.034 1.00 0.00 C ATOM 470 C LEU A 29 12.736 -10.694 3.824 1.00 0.00 C ATOM 471 O LEU A 29 12.906 -10.604 5.040 1.00 0.00 O ATOM 472 CB LEU A 29 10.595 -9.573 3.158 1.00 0.00 C ATOM 473 CG LEU A 29 9.956 -8.264 3.625 1.00 0.00 C ATOM 474 CD1 LEU A 29 8.534 -8.147 3.097 1.00 0.00 C ATOM 475 CD2 LEU A 29 9.970 -8.178 5.144 1.00 0.00 C ATOM 0 H LEU A 29 11.732 -9.563 0.972 1.00 0.00 H new ATOM 0 HA LEU A 29 12.497 -8.610 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.172 -9.840 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.318 -10.364 3.856 1.00 0.00 H new ATOM 0 HG LEU A 29 10.540 -7.434 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.095 -7.210 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.548 -8.165 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.939 -8.982 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.512 -7.241 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.409 -9.015 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.999 -8.217 5.501 1.00 0.00 H new ATOM 487 N GLU A 30 13.066 -11.770 3.125 1.00 0.00 N ATOM 488 CA GLU A 30 13.663 -12.944 3.756 1.00 0.00 C ATOM 489 C GLU A 30 13.912 -14.047 2.733 1.00 0.00 C ATOM 490 O GLU A 30 13.118 -14.977 2.603 1.00 0.00 O ATOM 491 CB GLU A 30 12.759 -13.470 4.873 1.00 0.00 C ATOM 492 CG GLU A 30 11.355 -13.815 4.406 1.00 0.00 C ATOM 493 CD GLU A 30 11.051 -15.298 4.508 1.00 0.00 C ATOM 494 OE1 GLU A 30 12.007 -16.102 4.499 1.00 0.00 O ATOM 495 OE2 GLU A 30 9.858 -15.655 4.597 1.00 0.00 O ATOM 0 H GLU A 30 12.931 -11.857 2.118 1.00 0.00 H new ATOM 0 HA GLU A 30 14.620 -12.643 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.216 -14.357 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.697 -12.721 5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.632 -13.258 5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.231 -13.493 3.372 1.00 0.00 H new ATOM 502 N LYS A 31 15.020 -13.936 2.008 1.00 0.00 N ATOM 503 CA LYS A 31 15.376 -14.924 0.997 1.00 0.00 C ATOM 504 C LYS A 31 14.276 -15.048 -0.052 1.00 0.00 C ATOM 505 O LYS A 31 13.916 -16.151 -0.467 1.00 0.00 O ATOM 506 CB LYS A 31 15.640 -16.285 1.645 1.00 0.00 C ATOM 507 CG LYS A 31 16.095 -17.349 0.658 1.00 0.00 C ATOM 508 CD LYS A 31 15.197 -18.577 0.702 1.00 0.00 C ATOM 509 CE LYS A 31 14.876 -19.084 -0.695 1.00 0.00 C ATOM 510 NZ LYS A 31 13.523 -19.702 -0.764 1.00 0.00 N ATOM 0 H LYS A 31 15.688 -13.171 2.102 1.00 0.00 H new ATOM 0 HA LYS A 31 16.288 -14.587 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.400 -16.169 2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.731 -16.625 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.095 -16.934 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.121 -17.640 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.686 -19.366 1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.271 -18.333 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.934 -18.258 -1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.625 -19.816 -0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.342 -20.035 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.475 -20.507 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.805 -18.997 -0.501 1.00 0.00 H new ATOM 524 N LYS A 32 13.753 -13.907 -0.479 1.00 0.00 N ATOM 525 CA LYS A 32 12.699 -13.879 -1.487 1.00 0.00 C ATOM 526 C LYS A 32 13.289 -13.689 -2.885 1.00 0.00 C ATOM 527 O LYS A 32 12.579 -13.796 -3.885 1.00 0.00 O ATOM 528 CB LYS A 32 11.695 -12.763 -1.176 1.00 0.00 C ATOM 529 CG LYS A 32 10.642 -12.560 -2.258 1.00 0.00 C ATOM 530 CD LYS A 32 9.805 -13.814 -2.468 1.00 0.00 C ATOM 531 CE LYS A 32 9.619 -14.123 -3.946 1.00 0.00 C ATOM 532 NZ LYS A 32 8.245 -13.792 -4.414 1.00 0.00 N ATOM 0 H LYS A 32 14.041 -12.988 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 32 12.178 -14.836 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.195 -12.990 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.238 -11.829 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.992 -11.730 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.129 -12.286 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.286 -14.660 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.830 -13.684 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.347 -13.559 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.818 -15.180 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.159 -14.017 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.551 -14.349 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.063 -12.778 -4.268 1.00 0.00 H new ATOM 546 N LYS A 33 14.590 -13.410 -2.948 1.00 0.00 N ATOM 547 CA LYS A 33 15.274 -13.207 -4.221 1.00 0.00 C ATOM 548 C LYS A 33 14.783 -11.939 -4.911 1.00 0.00 C ATOM 549 O LYS A 33 13.626 -11.546 -4.759 1.00 0.00 O ATOM 550 CB LYS A 33 15.072 -14.416 -5.139 1.00 0.00 C ATOM 551 CG LYS A 33 15.865 -14.335 -6.432 1.00 0.00 C ATOM 552 CD LYS A 33 17.325 -14.702 -6.215 1.00 0.00 C ATOM 553 CE LYS A 33 18.255 -13.754 -6.955 1.00 0.00 C ATOM 554 NZ LYS A 33 18.010 -13.769 -8.424 1.00 0.00 N ATOM 0 H LYS A 33 15.192 -13.320 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 33 16.338 -13.095 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.358 -15.321 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.012 -14.508 -5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.426 -15.005 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.799 -13.325 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.552 -14.678 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.499 -15.723 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.119 -12.742 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.290 -14.033 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.729 -13.189 -8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.065 -14.746 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.065 -13.382 -8.622 1.00 0.00 H new ATOM 568 N LEU A 34 15.672 -11.301 -5.665 1.00 0.00 N ATOM 569 CA LEU A 34 15.334 -10.073 -6.377 1.00 0.00 C ATOM 570 C LEU A 34 15.360 -10.290 -7.887 1.00 0.00 C ATOM 571 O LEU A 34 16.420 -10.246 -8.511 1.00 0.00 O ATOM 572 CB LEU A 34 16.309 -8.956 -5.996 1.00 0.00 C ATOM 573 CG LEU A 34 16.605 -8.828 -4.500 1.00 0.00 C ATOM 574 CD1 LEU A 34 15.315 -8.856 -3.690 1.00 0.00 C ATOM 575 CD2 LEU A 34 17.546 -9.934 -4.046 1.00 0.00 C ATOM 0 H LEU A 34 16.633 -11.614 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 34 14.324 -9.783 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.249 -9.121 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 34 15.907 -8.008 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 34 17.093 -7.868 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.549 -8.764 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.676 -8.027 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 34 14.795 -9.798 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.745 -9.827 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.085 -10.904 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.483 -9.865 -4.599 1.00 0.00 H new ATOM 587 N SER A 35 14.188 -10.526 -8.470 1.00 0.00 N ATOM 588 CA SER A 35 14.081 -10.749 -9.906 1.00 0.00 C ATOM 589 C SER A 35 13.613 -9.488 -10.626 1.00 0.00 C ATOM 590 O SER A 35 12.716 -8.789 -10.153 1.00 0.00 O ATOM 591 CB SER A 35 13.117 -11.902 -10.192 1.00 0.00 C ATOM 592 OG SER A 35 13.813 -13.130 -10.317 1.00 0.00 O ATOM 0 H SER A 35 13.300 -10.567 -7.969 1.00 0.00 H new ATOM 0 HA SER A 35 15.071 -11.008 -10.281 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.385 -11.976 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.564 -11.699 -11.109 1.00 0.00 H new ATOM 0 HG SER A 35 13.174 -13.851 -10.498 1.00 0.00 H new ATOM 598 N ASP A 36 14.219 -9.207 -11.775 1.00 0.00 N ATOM 599 CA ASP A 36 13.856 -8.034 -12.566 1.00 0.00 C ATOM 600 C ASP A 36 12.546 -8.263 -13.317 1.00 0.00 C ATOM 601 O ASP A 36 12.019 -7.351 -13.952 1.00 0.00 O ATOM 602 CB ASP A 36 14.974 -7.698 -13.558 1.00 0.00 C ATOM 603 CG ASP A 36 14.831 -6.307 -14.148 1.00 0.00 C ATOM 604 OD1 ASP A 36 13.886 -6.091 -14.936 1.00 0.00 O ATOM 605 OD2 ASP A 36 15.665 -5.436 -13.824 1.00 0.00 O ATOM 0 H ASP A 36 14.964 -9.775 -12.180 1.00 0.00 H new ATOM 0 HA ASP A 36 13.718 -7.196 -11.883 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.938 -7.778 -13.055 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.973 -8.432 -14.363 1.00 0.00 H new ATOM 610 N ASP A 37 12.021 -9.483 -13.239 1.00 0.00 N ATOM 611 CA ASP A 37 10.771 -9.818 -13.909 1.00 0.00 C ATOM 612 C ASP A 37 9.579 -9.616 -12.976 1.00 0.00 C ATOM 613 O ASP A 37 8.475 -10.083 -13.255 1.00 0.00 O ATOM 614 CB ASP A 37 10.808 -11.265 -14.402 1.00 0.00 C ATOM 615 CG ASP A 37 11.204 -12.237 -13.307 1.00 0.00 C ATOM 616 OD1 ASP A 37 10.314 -12.662 -12.540 1.00 0.00 O ATOM 617 OD2 ASP A 37 12.403 -12.573 -13.216 1.00 0.00 O ATOM 0 H ASP A 37 12.442 -10.253 -12.719 1.00 0.00 H new ATOM 0 HA ASP A 37 10.655 -9.151 -14.763 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.827 -11.539 -14.791 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.513 -11.347 -15.229 1.00 0.00 H new ATOM 622 N ASP A 38 9.809 -8.919 -11.865 1.00 0.00 N ATOM 623 CA ASP A 38 8.756 -8.657 -10.891 1.00 0.00 C ATOM 624 C ASP A 38 7.897 -7.470 -11.319 1.00 0.00 C ATOM 625 O ASP A 38 8.251 -6.732 -12.240 1.00 0.00 O ATOM 626 CB ASP A 38 9.368 -8.394 -9.513 1.00 0.00 C ATOM 627 CG ASP A 38 9.065 -9.501 -8.523 1.00 0.00 C ATOM 628 OD1 ASP A 38 9.181 -10.685 -8.902 1.00 0.00 O ATOM 629 OD2 ASP A 38 8.712 -9.185 -7.368 1.00 0.00 O ATOM 0 H ASP A 38 10.717 -8.526 -11.618 1.00 0.00 H new ATOM 0 HA ASP A 38 8.116 -9.538 -10.836 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.448 -8.286 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.988 -7.449 -9.124 1.00 0.00 H new ATOM 634 N GLU A 39 6.767 -7.294 -10.641 1.00 0.00 N ATOM 635 CA GLU A 39 5.854 -6.198 -10.942 1.00 0.00 C ATOM 636 C GLU A 39 4.933 -5.923 -9.758 1.00 0.00 C ATOM 637 O GLU A 39 4.143 -6.779 -9.361 1.00 0.00 O ATOM 638 CB GLU A 39 5.023 -6.524 -12.185 1.00 0.00 C ATOM 639 CG GLU A 39 5.806 -6.427 -13.484 1.00 0.00 C ATOM 640 CD GLU A 39 4.923 -6.094 -14.671 1.00 0.00 C ATOM 641 OE1 GLU A 39 3.931 -6.819 -14.895 1.00 0.00 O ATOM 642 OE2 GLU A 39 5.225 -5.108 -15.377 1.00 0.00 O ATOM 0 H GLU A 39 6.462 -7.898 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 39 6.447 -5.304 -11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.620 -7.532 -12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.173 -5.844 -12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.577 -5.663 -13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.316 -7.373 -13.669 1.00 0.00 H new ATOM 649 N ILE A 40 5.040 -4.723 -9.197 1.00 0.00 N ATOM 650 CA ILE A 40 4.217 -4.338 -8.057 1.00 0.00 C ATOM 651 C ILE A 40 3.465 -3.041 -8.333 1.00 0.00 C ATOM 652 O ILE A 40 3.904 -2.215 -9.132 1.00 0.00 O ATOM 653 CB ILE A 40 5.066 -4.162 -6.783 1.00 0.00 C ATOM 654 CG1 ILE A 40 5.993 -5.364 -6.587 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.168 -3.976 -5.569 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.906 -5.232 -5.388 1.00 0.00 C ATOM 0 H ILE A 40 5.688 -4.001 -9.513 1.00 0.00 H new ATOM 0 HA ILE A 40 3.501 -5.145 -7.900 1.00 0.00 H new ATOM 0 HB ILE A 40 5.681 -3.269 -6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.389 -6.265 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.600 -5.495 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.783 -3.853 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.548 -3.090 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.529 -4.851 -5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.535 -6.119 -5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.536 -4.350 -5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.306 -5.132 -4.483 1.00 0.00 H new ATOM 668 N ALA A 41 2.329 -2.868 -7.663 1.00 0.00 N ATOM 669 CA ALA A 41 1.515 -1.672 -7.834 1.00 0.00 C ATOM 670 C ALA A 41 1.171 -1.048 -6.485 1.00 0.00 C ATOM 671 O ALA A 41 1.091 -1.743 -5.472 1.00 0.00 O ATOM 672 CB ALA A 41 0.245 -2.003 -8.605 1.00 0.00 C ATOM 0 H ALA A 41 1.953 -3.542 -6.997 1.00 0.00 H new ATOM 0 HA ALA A 41 2.093 -0.946 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.353 -1.100 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.508 -2.398 -9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.330 -2.749 -8.056 1.00 0.00 H new ATOM 678 N ILE A 42 0.972 0.266 -6.479 1.00 0.00 N ATOM 679 CA ILE A 42 0.640 0.980 -5.252 1.00 0.00 C ATOM 680 C ILE A 42 -0.452 2.016 -5.493 1.00 0.00 C ATOM 681 O ILE A 42 -0.345 2.850 -6.392 1.00 0.00 O ATOM 682 CB ILE A 42 1.876 1.681 -4.651 1.00 0.00 C ATOM 683 CG1 ILE A 42 2.597 2.514 -5.718 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.818 0.657 -4.032 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.384 1.688 -6.716 1.00 0.00 C ATOM 0 H ILE A 42 1.035 0.857 -7.308 1.00 0.00 H new ATOM 0 HA ILE A 42 0.278 0.234 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 42 1.543 2.358 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.861 3.112 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.274 3.211 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.685 1.167 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.298 0.115 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.146 -0.045 -4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.864 2.349 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.145 1.110 -6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.710 1.010 -7.239 1.00 0.00 H new ATOM 697 N ILE A 43 -1.502 1.960 -4.679 1.00 0.00 N ATOM 698 CA ILE A 43 -2.613 2.895 -4.798 1.00 0.00 C ATOM 699 C ILE A 43 -2.574 3.930 -3.679 1.00 0.00 C ATOM 700 O ILE A 43 -2.749 3.598 -2.506 1.00 0.00 O ATOM 701 CB ILE A 43 -3.971 2.167 -4.765 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.972 1.001 -5.755 1.00 0.00 C ATOM 703 CG2 ILE A 43 -5.101 3.138 -5.079 1.00 0.00 C ATOM 704 CD1 ILE A 43 -3.594 -0.324 -5.131 1.00 0.00 C ATOM 0 H ILE A 43 -1.606 1.276 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.506 3.396 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.129 1.769 -3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.963 0.914 -6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.277 1.223 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.054 2.609 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.109 3.938 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.950 3.563 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.616 -1.104 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.591 -0.255 -4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.303 -0.569 -4.340 1.00 0.00 H new ATOM 716 N SER A 44 -2.339 5.184 -4.048 1.00 0.00 N ATOM 717 CA SER A 44 -2.272 6.265 -3.071 1.00 0.00 C ATOM 718 C SER A 44 -3.668 6.717 -2.662 1.00 0.00 C ATOM 719 O SER A 44 -4.530 6.946 -3.511 1.00 0.00 O ATOM 720 CB SER A 44 -1.480 7.448 -3.634 1.00 0.00 C ATOM 721 OG SER A 44 -0.959 7.152 -4.918 1.00 0.00 O ATOM 0 H SER A 44 -2.192 5.477 -5.014 1.00 0.00 H new ATOM 0 HA SER A 44 -1.760 5.887 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.125 8.325 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.664 7.698 -2.956 1.00 0.00 H new ATOM 0 HG SER A 44 -0.319 7.847 -5.180 1.00 0.00 H new ATOM 727 N ILE A 45 -3.888 6.845 -1.355 1.00 0.00 N ATOM 728 CA ILE A 45 -5.182 7.272 -0.845 1.00 0.00 C ATOM 729 C ILE A 45 -5.029 7.974 0.497 1.00 0.00 C ATOM 730 O ILE A 45 -4.090 7.704 1.244 1.00 0.00 O ATOM 731 CB ILE A 45 -6.149 6.083 -0.674 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.089 5.157 -1.892 1.00 0.00 C ATOM 733 CG2 ILE A 45 -7.568 6.586 -0.454 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.005 3.958 -1.783 1.00 0.00 C ATOM 0 H ILE A 45 -3.189 6.659 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.597 7.962 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.843 5.512 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.352 5.725 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.064 4.811 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.241 5.737 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.600 7.203 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.881 7.179 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.911 3.346 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.728 3.367 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.036 4.296 -1.681 1.00 0.00 H new ATOM 746 N LYS A 46 -5.958 8.873 0.801 1.00 0.00 N ATOM 747 CA LYS A 46 -5.920 9.606 2.059 1.00 0.00 C ATOM 748 C LYS A 46 -5.759 8.647 3.236 1.00 0.00 C ATOM 749 O LYS A 46 -4.663 8.489 3.773 1.00 0.00 O ATOM 750 CB LYS A 46 -7.193 10.438 2.231 1.00 0.00 C ATOM 751 CG LYS A 46 -7.255 11.652 1.320 1.00 0.00 C ATOM 752 CD LYS A 46 -6.333 12.759 1.806 1.00 0.00 C ATOM 753 CE LYS A 46 -6.799 14.124 1.327 1.00 0.00 C ATOM 754 NZ LYS A 46 -5.849 15.204 1.715 1.00 0.00 N ATOM 0 H LYS A 46 -6.744 9.111 0.196 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.061 10.277 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.059 9.805 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.264 10.768 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.976 11.363 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.279 12.023 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.293 12.749 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.320 12.573 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.909 14.110 0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.783 14.339 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.203 16.119 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.763 15.235 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.917 15.013 1.296 1.00 0.00 H new ATOM 768 N GLY A 47 -6.857 8.007 3.628 1.00 0.00 N ATOM 769 CA GLY A 47 -6.816 7.067 4.734 1.00 0.00 C ATOM 770 C GLY A 47 -6.140 7.638 5.969 1.00 0.00 C ATOM 771 O GLY A 47 -5.691 6.889 6.836 1.00 0.00 O ATOM 0 H GLY A 47 -7.775 8.123 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.833 6.768 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.288 6.167 4.420 1.00 0.00 H new ATOM 775 N THR A 48 -6.064 8.967 6.048 1.00 0.00 N ATOM 776 CA THR A 48 -5.434 9.636 7.183 1.00 0.00 C ATOM 777 C THR A 48 -4.111 8.969 7.549 1.00 0.00 C ATOM 778 O THR A 48 -3.711 8.961 8.713 1.00 0.00 O ATOM 779 CB THR A 48 -6.372 9.629 8.390 1.00 0.00 C ATOM 780 OG1 THR A 48 -7.723 9.528 7.974 1.00 0.00 O ATOM 781 CG2 THR A 48 -6.251 10.868 9.251 1.00 0.00 C ATOM 0 H THR A 48 -6.432 9.600 5.338 1.00 0.00 H new ATOM 0 HA THR A 48 -5.230 10.667 6.894 1.00 0.00 H new ATOM 0 HB THR A 48 -6.073 8.764 8.982 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.308 9.523 8.760 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.944 10.798 10.089 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.232 10.950 9.629 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.490 11.749 8.656 1.00 0.00 H new ATOM 789 N GLN A 49 -3.438 8.402 6.550 1.00 0.00 N ATOM 790 CA GLN A 49 -2.165 7.727 6.776 1.00 0.00 C ATOM 791 C GLN A 49 -1.177 7.998 5.644 1.00 0.00 C ATOM 792 O GLN A 49 -0.123 8.595 5.864 1.00 0.00 O ATOM 793 CB GLN A 49 -2.379 6.219 6.935 1.00 0.00 C ATOM 794 CG GLN A 49 -3.414 5.638 5.983 1.00 0.00 C ATOM 795 CD GLN A 49 -2.813 4.659 4.992 1.00 0.00 C ATOM 796 OE1 GLN A 49 -1.646 4.776 4.618 1.00 0.00 O ATOM 797 NE2 GLN A 49 -3.611 3.689 4.560 1.00 0.00 N ATOM 0 H GLN A 49 -3.753 8.397 5.580 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.740 8.127 7.697 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.429 5.709 6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.686 6.012 7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.190 5.135 6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.897 6.449 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.572 3.631 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.263 3.002 3.891 1.00 0.00 H new ATOM 806 N SER A 50 -1.512 7.554 4.433 1.00 0.00 N ATOM 807 CA SER A 50 -0.640 7.749 3.280 1.00 0.00 C ATOM 808 C SER A 50 -1.155 6.972 2.082 1.00 0.00 C ATOM 809 O SER A 50 -1.622 7.550 1.101 1.00 0.00 O ATOM 810 CB SER A 50 0.792 7.312 3.606 1.00 0.00 C ATOM 811 OG SER A 50 1.631 8.433 3.823 1.00 0.00 O ATOM 0 H SER A 50 -2.379 7.058 4.227 1.00 0.00 H new ATOM 0 HA SER A 50 -0.637 8.811 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.789 6.679 4.493 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.187 6.711 2.787 1.00 0.00 H new ATOM 0 HG SER A 50 1.332 8.916 4.622 1.00 0.00 H new ATOM 817 N ASN A 51 -1.060 5.659 2.178 1.00 0.00 N ATOM 818 CA ASN A 51 -1.509 4.776 1.110 1.00 0.00 C ATOM 819 C ASN A 51 -1.302 3.311 1.482 1.00 0.00 C ATOM 820 O ASN A 51 -0.984 2.988 2.627 1.00 0.00 O ATOM 821 CB ASN A 51 -0.753 5.092 -0.182 1.00 0.00 C ATOM 822 CG ASN A 51 0.737 4.836 -0.060 1.00 0.00 C ATOM 823 OD1 ASN A 51 1.491 5.698 0.391 1.00 0.00 O ATOM 824 ND2 ASN A 51 1.167 3.646 -0.463 1.00 0.00 N ATOM 0 H ASN A 51 -0.674 5.175 2.989 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.575 4.944 0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.157 4.486 -0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.918 6.135 -0.450 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.159 3.416 -0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.505 2.962 -0.830 1.00 0.00 H new ATOM 831 N HIS A 52 -1.482 2.429 0.502 1.00 0.00 N ATOM 832 CA HIS A 52 -1.313 0.996 0.716 1.00 0.00 C ATOM 833 C HIS A 52 -0.639 0.345 -0.489 1.00 0.00 C ATOM 834 O HIS A 52 -0.806 0.795 -1.623 1.00 0.00 O ATOM 835 CB HIS A 52 -2.667 0.334 0.983 1.00 0.00 C ATOM 836 CG HIS A 52 -3.582 0.336 -0.202 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.452 1.368 -0.479 1.00 0.00 N ATOM 838 CD2 HIS A 52 -3.761 -0.579 -1.185 1.00 0.00 C ATOM 839 CE1 HIS A 52 -5.126 1.089 -1.582 1.00 0.00 C ATOM 840 NE2 HIS A 52 -4.725 -0.087 -2.029 1.00 0.00 N ATOM 0 H HIS A 52 -1.746 2.683 -0.450 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.674 0.855 1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.502 -0.695 1.302 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.156 0.849 1.810 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.559 2.215 0.079 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.242 -1.521 -1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.877 1.716 -2.039 1.00 0.00 H new ATOM 849 N VAL A 53 0.125 -0.712 -0.235 1.00 0.00 N ATOM 850 CA VAL A 53 0.826 -1.419 -1.301 1.00 0.00 C ATOM 851 C VAL A 53 0.242 -2.813 -1.523 1.00 0.00 C ATOM 852 O VAL A 53 -0.400 -3.377 -0.638 1.00 0.00 O ATOM 853 CB VAL A 53 2.332 -1.545 -0.995 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.559 -2.371 0.265 1.00 0.00 C ATOM 855 CG2 VAL A 53 3.072 -2.150 -2.179 1.00 0.00 C ATOM 0 H VAL A 53 0.275 -1.097 0.697 1.00 0.00 H new ATOM 0 HA VAL A 53 0.694 -0.829 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 53 2.730 -0.545 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.628 -2.447 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.068 -1.888 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.144 -3.369 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.133 -2.230 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.671 -3.141 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.942 -1.512 -3.053 1.00 0.00 H new ATOM 865 N LEU A 54 0.474 -3.360 -2.712 1.00 0.00 N ATOM 866 CA LEU A 54 -0.022 -4.688 -3.056 1.00 0.00 C ATOM 867 C LEU A 54 0.842 -5.323 -4.141 1.00 0.00 C ATOM 868 O LEU A 54 1.088 -4.719 -5.185 1.00 0.00 O ATOM 869 CB LEU A 54 -1.478 -4.606 -3.526 1.00 0.00 C ATOM 870 CG LEU A 54 -2.525 -4.840 -2.434 1.00 0.00 C ATOM 871 CD1 LEU A 54 -3.927 -4.790 -3.022 1.00 0.00 C ATOM 872 CD2 LEU A 54 -2.282 -6.171 -1.735 1.00 0.00 C ATOM 0 H LEU A 54 1.003 -2.903 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 54 0.028 -5.312 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.647 -3.623 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.630 -5.340 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.435 -4.045 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.659 -4.958 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.098 -3.812 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.030 -5.563 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.036 -6.319 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.344 -6.981 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.292 -6.167 -1.279 1.00 0.00 H new ATOM 884 N PHE A 55 1.305 -6.543 -3.886 1.00 0.00 N ATOM 885 CA PHE A 55 2.146 -7.257 -4.842 1.00 0.00 C ATOM 886 C PHE A 55 1.342 -7.682 -6.067 1.00 0.00 C ATOM 887 O PHE A 55 0.165 -8.023 -5.961 1.00 0.00 O ATOM 888 CB PHE A 55 2.775 -8.484 -4.182 1.00 0.00 C ATOM 889 CG PHE A 55 3.854 -9.122 -5.010 1.00 0.00 C ATOM 890 CD1 PHE A 55 5.099 -8.524 -5.129 1.00 0.00 C ATOM 891 CD2 PHE A 55 3.623 -10.318 -5.670 1.00 0.00 C ATOM 892 CE1 PHE A 55 6.094 -9.109 -5.890 1.00 0.00 C ATOM 893 CE2 PHE A 55 4.614 -10.907 -6.433 1.00 0.00 C ATOM 894 CZ PHE A 55 5.850 -10.302 -6.543 1.00 0.00 C ATOM 0 H PHE A 55 1.113 -7.058 -3.027 1.00 0.00 H new ATOM 0 HA PHE A 55 2.937 -6.580 -5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.192 -8.194 -3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.996 -9.220 -3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.294 -7.591 -4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.658 -10.796 -5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.060 -8.634 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.421 -11.840 -6.943 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.625 -10.761 -7.139 1.00 0.00 H new ATOM 904 N LEU A 56 1.990 -7.659 -7.228 1.00 0.00 N ATOM 905 CA LEU A 56 1.338 -8.044 -8.475 1.00 0.00 C ATOM 906 C LEU A 56 2.087 -9.190 -9.150 1.00 0.00 C ATOM 907 O LEU A 56 3.308 -9.146 -9.295 1.00 0.00 O ATOM 908 CB LEU A 56 1.255 -6.842 -9.422 1.00 0.00 C ATOM 909 CG LEU A 56 -0.140 -6.234 -9.576 1.00 0.00 C ATOM 910 CD1 LEU A 56 -0.603 -5.618 -8.264 1.00 0.00 C ATOM 911 CD2 LEU A 56 -0.148 -5.195 -10.688 1.00 0.00 C ATOM 0 H LEU A 56 2.965 -7.378 -7.331 1.00 0.00 H new ATOM 0 HA LEU A 56 0.329 -8.384 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.934 -6.069 -9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.612 -7.148 -10.405 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.835 -7.030 -9.844 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.597 -5.191 -8.394 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.636 -6.387 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.093 -4.834 -7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.148 -4.773 -10.784 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.560 -4.401 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.139 -5.666 -11.628 1.00 0.00 H new ATOM 923 N SER A 57 1.348 -10.217 -9.557 1.00 0.00 N ATOM 924 CA SER A 57 1.943 -11.374 -10.215 1.00 0.00 C ATOM 925 C SER A 57 2.672 -10.960 -11.493 1.00 0.00 C ATOM 926 O SER A 57 3.889 -10.773 -11.490 1.00 0.00 O ATOM 927 CB SER A 57 0.869 -12.417 -10.533 1.00 0.00 C ATOM 928 OG SER A 57 0.667 -13.294 -9.438 1.00 0.00 O ATOM 0 H SER A 57 0.336 -10.271 -9.443 1.00 0.00 H new ATOM 0 HA SER A 57 2.671 -11.814 -9.534 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.067 -11.916 -10.779 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.164 -12.990 -11.412 1.00 0.00 H new ATOM 0 HG SER A 57 -0.025 -13.949 -9.667 1.00 0.00 H new ATOM 934 N SER A 58 1.923 -10.816 -12.582 1.00 0.00 N ATOM 935 CA SER A 58 2.504 -10.423 -13.862 1.00 0.00 C ATOM 936 C SER A 58 1.460 -9.775 -14.769 1.00 0.00 C ATOM 937 O SER A 58 1.624 -9.746 -15.988 1.00 0.00 O ATOM 938 CB SER A 58 3.117 -11.640 -14.559 1.00 0.00 C ATOM 939 OG SER A 58 4.349 -11.309 -15.175 1.00 0.00 O ATOM 0 H SER A 58 0.914 -10.965 -12.604 1.00 0.00 H new ATOM 0 HA SER A 58 3.285 -9.689 -13.664 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.273 -12.438 -13.833 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.423 -12.021 -15.308 1.00 0.00 H new ATOM 0 HG SER A 58 4.720 -12.104 -15.612 1.00 0.00 H new ATOM 945 N TYR A 59 0.390 -9.256 -14.167 1.00 0.00 N ATOM 946 CA TYR A 59 -0.684 -8.608 -14.917 1.00 0.00 C ATOM 947 C TYR A 59 -1.231 -9.529 -16.011 1.00 0.00 C ATOM 948 O TYR A 59 -2.244 -10.197 -15.814 1.00 0.00 O ATOM 949 CB TYR A 59 -0.196 -7.286 -15.517 1.00 0.00 C ATOM 950 CG TYR A 59 -1.301 -6.274 -15.723 1.00 0.00 C ATOM 951 CD1 TYR A 59 -2.197 -6.401 -16.777 1.00 0.00 C ATOM 952 CD2 TYR A 59 -1.449 -5.194 -14.863 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.209 -5.479 -16.968 1.00 0.00 C ATOM 954 CE2 TYR A 59 -2.458 -4.268 -15.046 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.335 -4.416 -16.100 1.00 0.00 C ATOM 956 OH TYR A 59 -4.342 -3.496 -16.287 1.00 0.00 O ATOM 0 H TYR A 59 0.244 -9.272 -13.158 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.498 -8.396 -14.224 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.562 -6.857 -14.862 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.286 -7.486 -16.474 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.101 -7.234 -17.458 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.764 -5.076 -14.037 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.897 -5.591 -17.793 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.559 -3.434 -14.368 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.292 -2.810 -15.589 1.00 0.00 H new ATOM 966 N ASN A 60 -0.553 -9.567 -17.157 1.00 0.00 N ATOM 967 CA ASN A 60 -0.971 -10.411 -18.272 1.00 0.00 C ATOM 968 C ASN A 60 -2.366 -10.030 -18.765 1.00 0.00 C ATOM 969 O ASN A 60 -2.511 -9.335 -19.769 1.00 0.00 O ATOM 970 CB ASN A 60 -0.940 -11.886 -17.859 1.00 0.00 C ATOM 971 CG ASN A 60 0.079 -12.685 -18.647 1.00 0.00 C ATOM 972 OD1 ASN A 60 0.988 -13.289 -18.077 1.00 0.00 O ATOM 973 ND2 ASN A 60 -0.068 -12.693 -19.967 1.00 0.00 N ATOM 0 H ASN A 60 0.290 -9.021 -17.337 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.271 -10.255 -19.093 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.711 -11.958 -16.796 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.929 -12.322 -18.002 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.587 -13.214 -20.550 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.836 -12.178 -20.398 1.00 0.00 H new ATOM 980 N SER A 61 -3.390 -10.495 -18.054 1.00 0.00 N ATOM 981 CA SER A 61 -4.772 -10.209 -18.422 1.00 0.00 C ATOM 982 C SER A 61 -5.015 -8.707 -18.535 1.00 0.00 C ATOM 983 O SER A 61 -4.181 -7.899 -18.122 1.00 0.00 O ATOM 984 CB SER A 61 -5.729 -10.813 -17.394 1.00 0.00 C ATOM 985 OG SER A 61 -6.906 -11.301 -18.014 1.00 0.00 O ATOM 0 H SER A 61 -3.288 -11.072 -17.219 1.00 0.00 H new ATOM 0 HA SER A 61 -4.958 -10.660 -19.397 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.231 -11.624 -16.863 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.992 -10.060 -16.651 1.00 0.00 H new ATOM 0 HG SER A 61 -7.630 -10.651 -17.899 1.00 0.00 H new ATOM 991 N VAL A 62 -6.161 -8.340 -19.097 1.00 0.00 N ATOM 992 CA VAL A 62 -6.519 -6.937 -19.265 1.00 0.00 C ATOM 993 C VAL A 62 -8.024 -6.736 -19.128 1.00 0.00 C ATOM 994 O VAL A 62 -8.788 -7.700 -19.096 1.00 0.00 O ATOM 995 CB VAL A 62 -6.067 -6.402 -20.637 1.00 0.00 C ATOM 996 CG1 VAL A 62 -4.559 -6.208 -20.666 1.00 0.00 C ATOM 997 CG2 VAL A 62 -6.513 -7.341 -21.748 1.00 0.00 C ATOM 0 H VAL A 62 -6.860 -8.997 -19.445 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.005 -6.383 -18.479 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.536 -5.432 -20.801 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.260 -5.830 -21.643 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.269 -5.493 -19.896 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.066 -7.162 -20.480 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.185 -6.948 -22.710 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.074 -8.326 -21.590 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.600 -7.423 -21.741 1.00 0.00 H new ATOM 1007 N ASP A 63 -8.443 -5.475 -19.047 1.00 0.00 N ATOM 1008 CA ASP A 63 -9.859 -5.142 -18.913 1.00 0.00 C ATOM 1009 C ASP A 63 -10.405 -5.612 -17.567 1.00 0.00 C ATOM 1010 O ASP A 63 -10.697 -4.800 -16.688 1.00 0.00 O ATOM 1011 CB ASP A 63 -10.666 -5.766 -20.055 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.097 -5.267 -20.092 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -12.314 -4.121 -20.540 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.000 -6.022 -19.676 1.00 0.00 O ATOM 0 H ASP A 63 -7.821 -4.667 -19.072 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.956 -4.058 -18.964 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.181 -5.540 -21.005 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.665 -6.851 -19.946 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.538 -6.924 -17.410 1.00 0.00 N ATOM 1020 CA GLU A 64 -11.045 -7.500 -16.171 1.00 0.00 C ATOM 1021 C GLU A 64 -10.105 -7.199 -15.009 1.00 0.00 C ATOM 1022 O GLU A 64 -10.545 -6.809 -13.926 1.00 0.00 O ATOM 1023 CB GLU A 64 -11.215 -9.013 -16.322 1.00 0.00 C ATOM 1024 CG GLU A 64 -9.933 -9.730 -16.717 1.00 0.00 C ATOM 1025 CD GLU A 64 -10.194 -10.991 -17.517 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -11.143 -11.727 -17.173 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -9.448 -11.244 -18.486 1.00 0.00 O ATOM 0 H GLU A 64 -10.301 -7.610 -18.127 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.015 -7.050 -15.959 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.578 -9.426 -15.381 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.980 -9.212 -17.073 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.309 -9.055 -17.303 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.371 -9.984 -15.818 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.809 -7.384 -15.240 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.805 -7.135 -14.213 1.00 0.00 C ATOM 1036 C ILE A 65 -7.660 -5.640 -13.940 1.00 0.00 C ATOM 1037 O ILE A 65 -7.476 -5.224 -12.795 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.436 -7.726 -14.616 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -5.482 -7.744 -13.415 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.831 -6.953 -15.783 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -4.969 -6.378 -13.009 1.00 0.00 C ATOM 0 H ILE A 65 -8.430 -7.706 -16.131 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.144 -7.628 -13.302 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.591 -8.754 -14.942 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.994 -8.195 -12.565 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.632 -8.384 -13.650 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.868 -7.389 -16.048 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.501 -7.006 -16.641 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.691 -5.911 -15.496 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.302 -6.480 -12.153 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.426 -5.931 -13.842 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.810 -5.739 -12.739 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.746 -4.837 -14.996 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.626 -3.389 -14.866 1.00 0.00 C ATOM 1055 C ARG A 66 -8.716 -2.833 -13.955 1.00 0.00 C ATOM 1056 O ARG A 66 -8.475 -1.919 -13.167 1.00 0.00 O ATOM 1057 CB ARG A 66 -7.704 -2.724 -16.242 1.00 0.00 C ATOM 1058 CG ARG A 66 -7.642 -1.205 -16.191 1.00 0.00 C ATOM 1059 CD ARG A 66 -7.689 -0.594 -17.583 1.00 0.00 C ATOM 1060 NE ARG A 66 -8.836 0.296 -17.750 1.00 0.00 N ATOM 1061 CZ ARG A 66 -10.063 -0.122 -18.051 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -10.309 -1.414 -18.230 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -11.050 0.756 -18.175 1.00 0.00 N ATOM 0 H ARG A 66 -7.898 -5.164 -15.950 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.657 -3.168 -14.419 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.885 -3.092 -16.860 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.631 -3.025 -16.729 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.475 -0.826 -15.599 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.726 -0.895 -15.688 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.769 -0.039 -17.767 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.735 -1.389 -18.327 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.687 1.298 -17.629 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.555 -2.094 -18.137 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.252 -1.726 -18.460 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.868 1.750 -18.040 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.991 0.437 -18.406 1.00 0.00 H new ATOM 1077 N LYS A 67 -9.916 -3.393 -14.069 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.044 -2.957 -13.256 1.00 0.00 C ATOM 1079 C LYS A 67 -10.945 -3.521 -11.842 1.00 0.00 C ATOM 1080 O LYS A 67 -11.399 -2.901 -10.881 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.362 -3.390 -13.900 1.00 0.00 C ATOM 1082 CG LYS A 67 -12.961 -2.342 -14.827 1.00 0.00 C ATOM 1083 CD LYS A 67 -13.565 -2.976 -16.070 1.00 0.00 C ATOM 1084 CE LYS A 67 -14.685 -3.942 -15.716 1.00 0.00 C ATOM 1085 NZ LYS A 67 -15.799 -3.889 -16.702 1.00 0.00 N ATOM 0 H LYS A 67 -10.132 -4.150 -14.717 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.018 -1.869 -13.196 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.197 -4.309 -14.463 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.081 -3.622 -13.115 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.728 -1.780 -14.295 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.189 -1.630 -15.119 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.950 -2.196 -16.727 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.789 -3.504 -16.624 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.288 -4.956 -15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.068 -3.705 -14.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.541 -4.562 -16.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.195 -2.928 -16.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.440 -4.140 -17.645 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.348 -4.703 -11.725 1.00 0.00 N ATOM 1100 CA GLU A 68 -10.188 -5.356 -10.431 1.00 0.00 C ATOM 1101 C GLU A 68 -9.316 -4.522 -9.498 1.00 0.00 C ATOM 1102 O GLU A 68 -9.686 -4.261 -8.353 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.576 -6.747 -10.612 1.00 0.00 C ATOM 1104 CG GLU A 68 -10.146 -7.792 -9.666 1.00 0.00 C ATOM 1105 CD GLU A 68 -11.480 -8.337 -10.137 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -11.584 -8.704 -11.327 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -12.419 -8.398 -9.316 1.00 0.00 O ATOM 0 H GLU A 68 -9.967 -5.228 -12.512 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.175 -5.454 -9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.736 -7.074 -11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.498 -6.683 -10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.436 -8.613 -9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.266 -7.353 -8.675 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.152 -4.110 -9.992 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.226 -3.310 -9.199 1.00 0.00 C ATOM 1116 C LEU A 69 -7.841 -1.967 -8.826 1.00 0.00 C ATOM 1117 O LEU A 69 -8.019 -1.664 -7.646 1.00 0.00 O ATOM 1118 CB LEU A 69 -5.920 -3.091 -9.967 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.659 -3.061 -9.101 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.060 -4.455 -8.983 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.639 -2.086 -9.676 1.00 0.00 C ATOM 0 H LEU A 69 -7.828 -4.317 -10.937 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.013 -3.856 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.815 -3.883 -10.709 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.990 -2.150 -10.513 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.934 -2.720 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.164 -4.415 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.787 -5.126 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.799 -4.824 -9.975 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.749 -2.078 -9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.368 -2.396 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.070 -1.085 -9.708 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.165 -1.163 -9.836 1.00 0.00 N ATOM 1134 CA GLU A 70 -8.763 0.149 -9.604 1.00 0.00 C ATOM 1135 C GLU A 70 -9.945 0.044 -8.646 1.00 0.00 C ATOM 1136 O GLU A 70 -10.251 0.986 -7.914 1.00 0.00 O ATOM 1137 CB GLU A 70 -9.212 0.771 -10.928 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.315 -0.010 -11.624 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.675 0.573 -12.977 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -10.048 0.175 -13.981 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -11.584 1.428 -13.031 1.00 0.00 O ATOM 0 H GLU A 70 -8.024 -1.396 -10.819 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.008 0.791 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.559 1.788 -10.743 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.353 0.844 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.998 -1.045 -11.751 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.202 -0.023 -10.990 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.601 -1.114 -8.652 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.744 -1.350 -7.780 1.00 0.00 C ATOM 1150 C GLU A 71 -11.298 -1.448 -6.326 1.00 0.00 C ATOM 1151 O GLU A 71 -11.923 -0.872 -5.435 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.470 -2.632 -8.192 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.664 -2.966 -7.312 1.00 0.00 C ATOM 1154 CD GLU A 71 -14.124 -4.400 -7.477 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -13.317 -5.317 -7.215 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -15.291 -4.607 -7.871 1.00 0.00 O ATOM 0 H GLU A 71 -10.359 -1.903 -9.252 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.429 -0.508 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.806 -2.533 -9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.765 -3.463 -8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.403 -2.790 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.488 -2.294 -7.552 1.00 0.00 H new ATOM 1163 N ALA A 72 -10.210 -2.177 -6.093 1.00 0.00 N ATOM 1164 CA ALA A 72 -9.680 -2.345 -4.745 1.00 0.00 C ATOM 1165 C ALA A 72 -8.882 -1.120 -4.299 1.00 0.00 C ATOM 1166 O ALA A 72 -8.374 -1.078 -3.178 1.00 0.00 O ATOM 1167 CB ALA A 72 -8.816 -3.594 -4.672 1.00 0.00 C ATOM 0 H ALA A 72 -9.680 -2.659 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.525 -2.456 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.426 -3.708 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.416 -4.467 -4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.986 -3.504 -5.373 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.774 -0.125 -5.177 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.035 1.077 -4.844 1.00 0.00 C ATOM 1175 C GLY A 73 -8.916 2.158 -4.246 1.00 0.00 C ATOM 1176 O GLY A 73 -8.872 2.406 -3.041 1.00 0.00 O ATOM 0 H GLY A 73 -9.185 -0.132 -6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.243 0.828 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.552 1.463 -5.742 1.00 0.00 H new ATOM 1180 N ALA A 74 -9.714 2.806 -5.089 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.603 3.870 -4.634 1.00 0.00 C ATOM 1182 C ALA A 74 -12.059 3.410 -4.576 1.00 0.00 C ATOM 1183 O ALA A 74 -12.937 4.164 -4.160 1.00 0.00 O ATOM 1184 CB ALA A 74 -10.472 5.085 -5.539 1.00 0.00 C ATOM 0 H ALA A 74 -9.763 2.613 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.303 4.139 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.140 5.872 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.444 5.446 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.738 4.809 -6.559 1.00 0.00 H new ATOM 1190 N LYS A 75 -12.312 2.173 -4.995 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.665 1.628 -4.986 1.00 0.00 C ATOM 1192 C LYS A 75 -13.877 0.728 -3.768 1.00 0.00 C ATOM 1193 O LYS A 75 -13.204 0.890 -2.750 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.927 0.859 -6.285 1.00 0.00 C ATOM 1195 CG LYS A 75 -15.236 1.240 -6.963 1.00 0.00 C ATOM 1196 CD LYS A 75 -16.212 0.075 -6.999 1.00 0.00 C ATOM 1197 CE LYS A 75 -16.992 0.042 -8.303 1.00 0.00 C ATOM 1198 NZ LYS A 75 -17.837 -1.178 -8.415 1.00 0.00 N ATOM 0 H LYS A 75 -11.600 1.531 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.375 2.452 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.103 1.038 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.936 -0.210 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.689 2.078 -6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.034 1.577 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.667 -0.861 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.905 0.153 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.623 0.928 -8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.298 0.081 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.352 -1.162 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.233 -2.024 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.517 -1.202 -7.629 1.00 0.00 H new ATOM 1212 N ILE A 76 -14.816 -0.215 -3.872 1.00 0.00 N ATOM 1213 CA ILE A 76 -15.117 -1.135 -2.774 1.00 0.00 C ATOM 1214 C ILE A 76 -13.841 -1.623 -2.087 1.00 0.00 C ATOM 1215 O ILE A 76 -12.839 -1.910 -2.743 1.00 0.00 O ATOM 1216 CB ILE A 76 -15.923 -2.355 -3.269 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -17.199 -1.900 -3.984 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -16.264 -3.276 -2.104 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -18.050 -3.043 -4.494 1.00 0.00 C ATOM 0 H ILE A 76 -15.382 -0.361 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.717 -0.578 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.309 -2.909 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -17.792 -1.294 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -16.926 -1.259 -4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.832 -4.131 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.344 -3.626 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.860 -2.731 -1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -18.936 -2.645 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.474 -3.637 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -18.354 -3.672 -3.657 1.00 0.00 H new ATOM 1231 N ASN A 77 -13.888 -1.709 -0.760 1.00 0.00 N ATOM 1232 CA ASN A 77 -12.740 -2.154 0.025 1.00 0.00 C ATOM 1233 C ASN A 77 -12.231 -3.509 -0.457 1.00 0.00 C ATOM 1234 O ASN A 77 -12.760 -4.082 -1.409 1.00 0.00 O ATOM 1235 CB ASN A 77 -13.113 -2.239 1.507 1.00 0.00 C ATOM 1236 CG ASN A 77 -13.208 -0.875 2.160 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -12.279 -0.070 2.083 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -14.335 -0.609 2.811 1.00 0.00 N ATOM 0 H ASN A 77 -14.711 -1.476 -0.205 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.943 -1.422 -0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.068 -2.755 1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.369 -2.839 2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.457 0.292 3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.079 -1.306 2.849 1.00 0.00 H new ATOM 1245 N HIS A 78 -11.198 -4.014 0.211 1.00 0.00 N ATOM 1246 CA HIS A 78 -10.611 -5.301 -0.142 1.00 0.00 C ATOM 1247 C HIS A 78 -11.399 -6.455 0.476 1.00 0.00 C ATOM 1248 O HIS A 78 -11.224 -7.609 0.088 1.00 0.00 O ATOM 1249 CB HIS A 78 -9.152 -5.363 0.316 1.00 0.00 C ATOM 1250 CG HIS A 78 -8.324 -4.210 -0.162 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -7.250 -4.359 -1.015 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -8.414 -2.884 0.099 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -6.716 -3.176 -1.256 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -7.403 -2.264 -0.594 1.00 0.00 N ATOM 0 H HIS A 78 -10.750 -3.550 1.001 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.651 -5.401 -1.227 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -9.123 -5.394 1.405 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.707 -6.292 -0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.144 -2.404 0.733 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -5.861 -2.986 -1.888 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.214 -1.262 -0.597 1.00 0.00 H new ATOM 1263 N THR A 79 -12.264 -6.139 1.441 1.00 0.00 N ATOM 1264 CA THR A 79 -13.078 -7.148 2.115 1.00 0.00 C ATOM 1265 C THR A 79 -12.242 -7.943 3.119 1.00 0.00 C ATOM 1266 O THR A 79 -11.072 -7.635 3.347 1.00 0.00 O ATOM 1267 CB THR A 79 -13.744 -8.082 1.087 1.00 0.00 C ATOM 1268 OG1 THR A 79 -15.094 -8.325 1.440 1.00 0.00 O ATOM 1269 CG2 THR A 79 -13.069 -9.432 0.929 1.00 0.00 C ATOM 0 H THR A 79 -12.418 -5.187 1.774 1.00 0.00 H new ATOM 0 HA THR A 79 -13.866 -6.637 2.669 1.00 0.00 H new ATOM 0 HB THR A 79 -13.655 -7.551 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.504 -8.918 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.605 -10.022 0.186 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.039 -9.288 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.077 -9.957 1.884 1.00 0.00 H new ATOM 1277 N THR A 80 -12.851 -8.963 3.716 1.00 0.00 N ATOM 1278 CA THR A 80 -12.164 -9.800 4.697 1.00 0.00 C ATOM 1279 C THR A 80 -10.828 -10.301 4.152 1.00 0.00 C ATOM 1280 O THR A 80 -10.520 -10.120 2.974 1.00 0.00 O ATOM 1281 CB THR A 80 -13.048 -10.984 5.100 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.276 -12.006 5.706 1.00 0.00 O ATOM 1283 CG2 THR A 80 -13.795 -11.604 3.938 1.00 0.00 C ATOM 0 H THR A 80 -13.819 -9.231 3.538 1.00 0.00 H new ATOM 0 HA THR A 80 -11.965 -9.191 5.579 1.00 0.00 H new ATOM 0 HB THR A 80 -13.776 -10.570 5.798 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.860 -12.752 5.957 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.401 -12.436 4.297 1.00 0.00 H new ATOM 0 HG22 THR A 80 -14.442 -10.855 3.480 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.081 -11.967 3.199 1.00 0.00 H new ATOM 1291 N LEU A 81 -10.037 -10.922 5.020 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.730 -11.441 4.631 1.00 0.00 C ATOM 1293 C LEU A 81 -8.855 -12.728 3.820 1.00 0.00 C ATOM 1294 O LEU A 81 -7.912 -13.133 3.140 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.870 -11.691 5.871 1.00 0.00 C ATOM 1296 CG LEU A 81 -7.433 -10.431 6.619 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -8.427 -10.093 7.720 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -6.036 -10.609 7.196 1.00 0.00 C ATOM 0 H LEU A 81 -10.278 -11.079 5.999 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.251 -10.691 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.426 -12.329 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.980 -12.245 5.572 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.409 -9.602 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.100 -9.194 8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.410 -9.921 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.484 -10.922 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.742 -9.702 7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.033 -11.450 7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.331 -10.802 6.388 1.00 0.00 H new ATOM 1310 N LYS A 82 -10.016 -13.374 3.894 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.240 -14.618 3.163 1.00 0.00 C ATOM 1312 C LYS A 82 -9.947 -14.439 1.674 1.00 0.00 C ATOM 1313 O LYS A 82 -9.529 -15.378 0.997 1.00 0.00 O ATOM 1314 CB LYS A 82 -11.677 -15.113 3.369 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.710 -14.401 2.508 1.00 0.00 C ATOM 1316 CD LYS A 82 -14.125 -14.803 2.892 1.00 0.00 C ATOM 1317 CE LYS A 82 -14.526 -16.119 2.243 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.298 -17.279 3.150 1.00 0.00 N ATOM 0 H LYS A 82 -10.812 -13.059 4.449 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.554 -15.368 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.716 -16.181 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.946 -14.988 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.595 -13.323 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.535 -14.637 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.197 -14.894 3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.821 -14.020 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.578 -16.079 1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.956 -16.259 1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.969 -18.095 2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.578 -17.030 3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.187 -17.523 3.631 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.163 -13.227 1.174 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.917 -12.927 -0.230 1.00 0.00 C ATOM 1334 C ILE A 83 -8.457 -13.174 -0.588 1.00 0.00 C ATOM 1335 O ILE A 83 -8.154 -13.780 -1.616 1.00 0.00 O ATOM 1336 CB ILE A 83 -10.290 -11.470 -0.569 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -10.121 -11.209 -2.067 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -9.444 -10.500 0.245 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -10.500 -9.805 -2.483 1.00 0.00 C ATOM 0 H ILE A 83 -10.508 -12.438 1.720 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.549 -13.593 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 83 -11.337 -11.311 -0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.083 -11.394 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.731 -11.921 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.721 -9.476 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.615 -10.671 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.390 -10.657 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.355 -9.692 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -11.546 -9.622 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.872 -9.087 -1.955 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.556 -12.711 0.271 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.128 -12.893 0.049 1.00 0.00 C ATOM 1353 C LEU A 84 -5.796 -14.376 -0.046 1.00 0.00 C ATOM 1354 O LEU A 84 -5.004 -14.793 -0.892 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.328 -12.237 1.180 1.00 0.00 C ATOM 1356 CG LEU A 84 -3.864 -12.675 1.293 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -2.970 -11.483 1.598 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.709 -13.745 2.363 1.00 0.00 C ATOM 0 H LEU A 84 -7.790 -12.207 1.127 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.855 -12.415 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.356 -11.156 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.827 -12.450 2.125 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.558 -13.097 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.935 -11.815 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.057 -10.748 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.276 -11.030 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.663 -14.044 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.035 -13.348 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.318 -14.611 2.103 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.420 -15.170 0.817 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.202 -16.608 0.818 1.00 0.00 C ATOM 1372 C GLU A 85 -6.641 -17.206 -0.515 1.00 0.00 C ATOM 1373 O GLU A 85 -6.132 -18.242 -0.942 1.00 0.00 O ATOM 1374 CB GLU A 85 -6.969 -17.265 1.968 1.00 0.00 C ATOM 1375 CG GLU A 85 -6.706 -16.620 3.319 1.00 0.00 C ATOM 1376 CD GLU A 85 -6.858 -17.596 4.469 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -7.938 -18.211 4.588 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -5.896 -17.745 5.252 1.00 0.00 O ATOM 0 H GLU A 85 -7.079 -14.841 1.523 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.138 -16.798 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.037 -17.220 1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.698 -18.320 2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.698 -16.205 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.395 -15.787 3.460 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.589 -16.537 -1.169 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.079 -17.009 -2.449 1.00 0.00 C ATOM 1387 C GLY A 86 -7.136 -16.673 -3.588 1.00 0.00 C ATOM 1388 O GLY A 86 -6.790 -17.542 -4.389 1.00 0.00 O ATOM 0 H GLY A 86 -8.024 -15.678 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.221 -18.089 -2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.055 -16.567 -2.647 1.00 0.00 H new ATOM 1392 N HIS A 87 -6.718 -15.410 -3.663 1.00 0.00 N ATOM 1393 CA HIS A 87 -5.808 -14.970 -4.718 1.00 0.00 C ATOM 1394 C HIS A 87 -5.494 -13.484 -4.585 1.00 0.00 C ATOM 1395 O HIS A 87 -6.031 -12.657 -5.323 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.412 -15.248 -6.097 1.00 0.00 C ATOM 1397 CG HIS A 87 -7.729 -14.570 -6.321 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -7.930 -13.616 -7.298 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -8.918 -14.713 -5.688 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -9.183 -13.201 -7.255 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -9.804 -13.852 -6.288 1.00 0.00 N ATOM 0 H HIS A 87 -6.994 -14.677 -3.009 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.880 -15.532 -4.613 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.710 -14.923 -6.865 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.541 -16.324 -6.218 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -9.130 -15.380 -4.865 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.625 -12.456 -7.901 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -10.783 -13.734 -6.029 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.618 -13.148 -3.643 1.00 0.00 N ATOM 1411 CA LEU A 88 -4.233 -11.758 -3.423 1.00 0.00 C ATOM 1412 C LEU A 88 -3.370 -11.248 -4.573 1.00 0.00 C ATOM 1413 O LEU A 88 -2.166 -11.579 -4.601 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.476 -11.617 -2.101 1.00 0.00 C ATOM 1415 CG LEU A 88 -3.397 -10.193 -1.548 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -2.536 -9.319 -2.447 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -4.790 -9.602 -1.401 1.00 0.00 C ATOM 1418 OXT LEU A 88 -3.906 -10.523 -5.437 1.00 0.00 O ATOM 0 H LEU A 88 -4.163 -13.817 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.142 -11.158 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.954 -12.253 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.462 -11.994 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.934 -10.230 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.491 -8.310 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.529 -9.734 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.970 -9.287 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.716 -8.589 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.279 -9.577 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.375 -10.216 -0.716 1.00 0.00 H new TER 1430 LEU A 88