USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 156:sc= -0.133 (180deg=-0.732) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0807 (180deg=-0.283) USER MOD Single : A 4 THR OG1 : rot -44:sc= 0.827 USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.0385 (180deg=-0.26) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.298 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 25 MET CE :methyl 153:sc= -4.01! (180deg=-7.97!) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= -0.137 (180deg=-0.61) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00223 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= 0.583 (180deg=0.0891) USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= -1.66 (180deg=-3.79!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0276 K(o=-0.028,f=-0.8) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0842 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -5.54! C(o=-5.5!,f=-2.7!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -139:sc= 0.305 (180deg=-1.36!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.204 -9.151 -5.081 1.00 0.00 N ATOM 2 CA MET A 1 -2.016 -8.061 -5.611 1.00 0.00 C ATOM 3 C MET A 1 -1.596 -6.726 -5.004 1.00 0.00 C ATOM 4 O MET A 1 -2.395 -5.793 -4.921 1.00 0.00 O ATOM 5 CB MET A 1 -3.498 -8.318 -5.333 1.00 0.00 C ATOM 6 CG MET A 1 -4.158 -9.231 -6.354 1.00 0.00 C ATOM 7 SD MET A 1 -4.717 -8.342 -7.820 1.00 0.00 S ATOM 8 CE MET A 1 -3.417 -8.756 -8.982 1.00 0.00 C ATOM 0 H1 MET A 1 -1.640 -10.062 -5.330 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.248 -9.102 -5.488 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.144 -9.068 -4.046 1.00 0.00 H new ATOM 0 HA MET A 1 -1.859 -8.015 -6.689 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.602 -8.759 -4.342 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.027 -7.365 -5.315 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.453 -10.007 -6.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.008 -9.733 -5.892 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.796 -8.664 -10.000 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.576 -8.076 -8.845 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.087 -9.780 -8.809 1.00 0.00 H new ATOM 18 N ASP A 2 -0.340 -6.642 -4.581 1.00 0.00 N ATOM 19 CA ASP A 2 0.185 -5.421 -3.982 1.00 0.00 C ATOM 20 C ASP A 2 1.207 -4.760 -4.902 1.00 0.00 C ATOM 21 O ASP A 2 2.391 -4.683 -4.575 1.00 0.00 O ATOM 22 CB ASP A 2 0.824 -5.726 -2.626 1.00 0.00 C ATOM 23 CG ASP A 2 1.138 -4.470 -1.838 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.231 -3.624 -1.682 1.00 0.00 O ATOM 25 OD2 ASP A 2 2.289 -4.332 -1.376 1.00 0.00 O ATOM 0 H ASP A 2 0.334 -7.405 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.646 -4.731 -3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.152 -6.357 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.742 -6.294 -2.780 1.00 0.00 H new ATOM 30 N GLU A 3 0.740 -4.286 -6.053 1.00 0.00 N ATOM 31 CA GLU A 3 1.615 -3.634 -7.020 1.00 0.00 C ATOM 32 C GLU A 3 1.361 -2.130 -7.056 1.00 0.00 C ATOM 33 O GLU A 3 2.245 -1.347 -7.403 1.00 0.00 O ATOM 34 CB GLU A 3 1.406 -4.232 -8.414 1.00 0.00 C ATOM 35 CG GLU A 3 2.073 -5.584 -8.603 1.00 0.00 C ATOM 36 CD GLU A 3 2.490 -5.833 -10.039 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.389 -5.116 -10.528 1.00 0.00 O ATOM 38 OE2 GLU A 3 1.919 -6.743 -10.674 1.00 0.00 O ATOM 0 H GLU A 3 -0.238 -4.341 -6.338 1.00 0.00 H new ATOM 0 HA GLU A 3 2.646 -3.803 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.337 -4.335 -8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.793 -3.538 -9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.950 -5.646 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.388 -6.370 -8.286 1.00 0.00 H new ATOM 45 N THR A 4 0.144 -1.733 -6.696 1.00 0.00 N ATOM 46 CA THR A 4 -0.229 -0.324 -6.688 1.00 0.00 C ATOM 47 C THR A 4 0.121 0.345 -8.013 1.00 0.00 C ATOM 48 O THR A 4 0.417 1.538 -8.059 1.00 0.00 O ATOM 49 CB THR A 4 0.469 0.436 -5.544 1.00 0.00 C ATOM 50 OG1 THR A 4 1.830 0.707 -5.894 1.00 0.00 O ATOM 51 CG2 THR A 4 0.422 -0.369 -4.254 1.00 0.00 C ATOM 0 H THR A 4 -0.600 -2.368 -6.406 1.00 0.00 H new ATOM 0 HA THR A 4 -1.308 -0.284 -6.537 1.00 0.00 H new ATOM 0 HB THR A 4 -0.058 1.377 -5.387 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.231 -0.094 -6.292 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.921 0.187 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.616 -0.548 -3.975 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.928 -1.323 -4.402 1.00 0.00 H new ATOM 59 N GLY A 5 0.084 -0.433 -9.091 1.00 0.00 N ATOM 60 CA GLY A 5 0.398 0.102 -10.403 1.00 0.00 C ATOM 61 C GLY A 5 -0.835 0.286 -11.265 1.00 0.00 C ATOM 62 O GLY A 5 -0.800 0.045 -12.472 1.00 0.00 O ATOM 0 H GLY A 5 -0.158 -1.424 -9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.904 1.061 -10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.094 -0.568 -10.908 1.00 0.00 H new ATOM 66 N LYS A 6 -1.930 0.713 -10.645 1.00 0.00 N ATOM 67 CA LYS A 6 -3.181 0.930 -11.362 1.00 0.00 C ATOM 68 C LYS A 6 -3.586 2.399 -11.317 1.00 0.00 C ATOM 69 O LYS A 6 -3.831 3.016 -12.353 1.00 0.00 O ATOM 70 CB LYS A 6 -4.292 0.065 -10.763 1.00 0.00 C ATOM 71 CG LYS A 6 -4.169 -1.409 -11.109 1.00 0.00 C ATOM 72 CD LYS A 6 -3.191 -2.118 -10.187 1.00 0.00 C ATOM 73 CE LYS A 6 -3.445 -3.618 -10.152 1.00 0.00 C ATOM 74 NZ LYS A 6 -4.716 -3.948 -9.450 1.00 0.00 N ATOM 0 H LYS A 6 -1.976 0.916 -9.646 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.028 0.645 -12.403 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.283 0.177 -9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.256 0.433 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.148 -1.884 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.839 -1.515 -12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.171 -1.928 -10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.277 -1.710 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.482 -4.004 -11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.614 -4.116 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.697 -4.943 -9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.822 -3.334 -8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.518 -3.798 -10.095 1.00 0.00 H new ATOM 88 N GLU A 7 -3.654 2.954 -10.110 1.00 0.00 N ATOM 89 CA GLU A 7 -4.029 4.352 -9.932 1.00 0.00 C ATOM 90 C GLU A 7 -3.196 5.003 -8.832 1.00 0.00 C ATOM 91 O GLU A 7 -3.440 4.789 -7.644 1.00 0.00 O ATOM 92 CB GLU A 7 -5.517 4.464 -9.595 1.00 0.00 C ATOM 93 CG GLU A 7 -6.411 3.632 -10.498 1.00 0.00 C ATOM 94 CD GLU A 7 -6.615 2.222 -9.979 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.000 1.875 -8.949 1.00 0.00 O ATOM 96 OE2 GLU A 7 -7.389 1.466 -10.602 1.00 0.00 O ATOM 0 H GLU A 7 -3.454 2.457 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.835 4.876 -10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.671 4.155 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.818 5.509 -9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.379 4.123 -10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.974 3.588 -11.495 1.00 0.00 H new ATOM 103 N LEU A 8 -2.211 5.797 -9.237 1.00 0.00 N ATOM 104 CA LEU A 8 -1.340 6.480 -8.286 1.00 0.00 C ATOM 105 C LEU A 8 -1.583 7.986 -8.309 1.00 0.00 C ATOM 106 O LEU A 8 -1.675 8.594 -9.375 1.00 0.00 O ATOM 107 CB LEU A 8 0.127 6.184 -8.605 1.00 0.00 C ATOM 108 CG LEU A 8 1.110 6.338 -7.444 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.230 7.798 -7.036 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.677 5.485 -6.261 1.00 0.00 C ATOM 0 H LEU A 8 -1.995 5.984 -10.216 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.571 6.109 -7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.197 5.164 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.443 6.844 -9.413 1.00 0.00 H new ATOM 0 HG LEU A 8 2.090 5.993 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.934 7.888 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.588 8.384 -7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.254 8.170 -6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.389 5.607 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.313 5.798 -5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.645 4.437 -6.560 1.00 0.00 H new ATOM 122 N VAL A 9 -1.685 8.582 -7.125 1.00 0.00 N ATOM 123 CA VAL A 9 -1.914 10.017 -7.009 1.00 0.00 C ATOM 124 C VAL A 9 -0.910 10.658 -6.057 1.00 0.00 C ATOM 125 O VAL A 9 -0.582 10.095 -5.012 1.00 0.00 O ATOM 126 CB VAL A 9 -3.340 10.319 -6.513 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.367 9.916 -7.561 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.607 9.610 -5.193 1.00 0.00 C ATOM 0 H VAL A 9 -1.613 8.093 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.787 10.440 -8.006 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.428 11.393 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.369 10.137 -7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.187 10.474 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.282 8.848 -7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.619 9.835 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.501 8.534 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.892 9.953 -4.445 1.00 0.00 H new ATOM 138 N LEU A 10 -0.426 11.839 -6.424 1.00 0.00 N ATOM 139 CA LEU A 10 0.540 12.559 -5.602 1.00 0.00 C ATOM 140 C LEU A 10 -0.110 13.760 -4.922 1.00 0.00 C ATOM 141 O LEU A 10 -1.006 14.392 -5.481 1.00 0.00 O ATOM 142 CB LEU A 10 1.722 13.021 -6.457 1.00 0.00 C ATOM 143 CG LEU A 10 2.938 13.546 -5.693 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.882 12.407 -5.344 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.661 14.610 -6.507 1.00 0.00 C ATOM 0 H LEU A 10 -0.687 12.319 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 10 0.901 11.879 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.042 12.186 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.374 13.805 -7.129 1.00 0.00 H new ATOM 0 HG LEU A 10 2.591 14.000 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.741 12.800 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.361 11.680 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.222 11.923 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.524 14.972 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.995 14.181 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.983 15.440 -6.705 1.00 0.00 H new ATOM 157 N ALA A 11 0.349 14.069 -3.714 1.00 0.00 N ATOM 158 CA ALA A 11 -0.185 15.197 -2.960 1.00 0.00 C ATOM 159 C ALA A 11 0.623 16.463 -3.220 1.00 0.00 C ATOM 160 O ALA A 11 1.831 16.503 -2.980 1.00 0.00 O ATOM 161 CB ALA A 11 -0.202 14.875 -1.473 1.00 0.00 C ATOM 0 H ALA A 11 1.089 13.555 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.207 15.376 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.603 15.725 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.828 14.000 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.813 14.668 -1.134 1.00 0.00 H new ATOM 167 N LEU A 12 -0.050 17.497 -3.713 1.00 0.00 N ATOM 168 CA LEU A 12 0.606 18.767 -4.007 1.00 0.00 C ATOM 169 C LEU A 12 0.626 19.667 -2.776 1.00 0.00 C ATOM 170 O LEU A 12 1.556 20.451 -2.582 1.00 0.00 O ATOM 171 CB LEU A 12 -0.106 19.477 -5.160 1.00 0.00 C ATOM 172 CG LEU A 12 -0.171 18.711 -6.482 1.00 0.00 C ATOM 173 CD1 LEU A 12 -0.785 19.577 -7.570 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.216 18.239 -6.893 1.00 0.00 C ATOM 0 H LEU A 12 -1.049 17.481 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 12 1.635 18.557 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.124 19.706 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.395 20.429 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.805 17.835 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.823 19.016 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.795 19.866 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.178 20.471 -7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.151 17.696 -7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.872 19.101 -7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.620 17.582 -6.123 1.00 0.00 H new ATOM 186 N TYR A 13 -0.403 19.548 -1.945 1.00 0.00 N ATOM 187 CA TYR A 13 -0.504 20.351 -0.732 1.00 0.00 C ATOM 188 C TYR A 13 -0.475 19.467 0.511 1.00 0.00 C ATOM 189 O TYR A 13 -0.670 18.254 0.428 1.00 0.00 O ATOM 190 CB TYR A 13 -1.788 21.182 -0.751 1.00 0.00 C ATOM 191 CG TYR A 13 -1.827 22.211 -1.858 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.123 21.844 -3.165 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.567 23.551 -1.597 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.159 22.781 -4.179 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.603 24.495 -2.605 1.00 0.00 C ATOM 196 CZ TYR A 13 -1.899 24.105 -3.895 1.00 0.00 C ATOM 197 OH TYR A 13 -1.934 25.042 -4.902 1.00 0.00 O ATOM 0 H TYR A 13 -1.180 18.903 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 13 0.355 21.022 -0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.642 20.513 -0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.897 21.688 0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.328 20.808 -3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.333 23.860 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.390 22.478 -5.190 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.401 25.533 -2.384 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.729 25.926 -4.533 1.00 0.00 H new ATOM 207 N ASP A 14 -0.232 20.083 1.662 1.00 0.00 N ATOM 208 CA ASP A 14 -0.179 19.354 2.923 1.00 0.00 C ATOM 209 C ASP A 14 -1.547 19.335 3.598 1.00 0.00 C ATOM 210 O ASP A 14 -2.341 20.264 3.441 1.00 0.00 O ATOM 211 CB ASP A 14 0.856 19.984 3.858 1.00 0.00 C ATOM 212 CG ASP A 14 0.695 21.487 3.971 1.00 0.00 C ATOM 213 OD1 ASP A 14 -0.411 21.988 3.680 1.00 0.00 O ATOM 214 OD2 ASP A 14 1.675 22.162 4.349 1.00 0.00 O ATOM 0 H ASP A 14 -0.068 21.086 1.748 1.00 0.00 H new ATOM 0 HA ASP A 14 0.114 18.326 2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.767 19.537 4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.857 19.755 3.494 1.00 0.00 H new ATOM 219 N TYR A 15 -1.816 18.273 4.348 1.00 0.00 N ATOM 220 CA TYR A 15 -3.090 18.131 5.044 1.00 0.00 C ATOM 221 C TYR A 15 -2.949 17.217 6.257 1.00 0.00 C ATOM 222 O TYR A 15 -1.977 16.472 6.376 1.00 0.00 O ATOM 223 CB TYR A 15 -4.155 17.578 4.095 1.00 0.00 C ATOM 224 CG TYR A 15 -5.565 17.715 4.623 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.094 18.961 4.936 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.370 16.597 4.807 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.381 19.090 5.419 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.659 16.716 5.288 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.160 17.965 5.593 1.00 0.00 C ATOM 230 OH TYR A 15 -9.444 18.089 6.072 1.00 0.00 O ATOM 0 H TYR A 15 -1.169 17.497 4.490 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.398 19.118 5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.082 18.096 3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.948 16.525 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.488 19.844 4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.981 15.618 4.570 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.776 20.066 5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.271 15.837 5.425 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.857 17.202 6.135 1.00 0.00 H new ATOM 240 N GLN A 16 -3.928 17.280 7.154 1.00 0.00 N ATOM 241 CA GLN A 16 -3.914 16.458 8.358 1.00 0.00 C ATOM 242 C GLN A 16 -5.255 15.758 8.555 1.00 0.00 C ATOM 243 O GLN A 16 -6.312 16.370 8.410 1.00 0.00 O ATOM 244 CB GLN A 16 -3.589 17.315 9.582 1.00 0.00 C ATOM 245 CG GLN A 16 -4.747 18.186 10.041 1.00 0.00 C ATOM 246 CD GLN A 16 -5.149 19.216 9.003 1.00 0.00 C ATOM 247 OE1 GLN A 16 -4.313 19.967 8.500 1.00 0.00 O ATOM 248 NE2 GLN A 16 -6.436 19.256 8.677 1.00 0.00 N ATOM 0 H GLN A 16 -4.740 17.891 7.070 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.142 15.698 8.239 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.289 16.663 10.402 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.735 17.952 9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.604 17.553 10.270 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.470 18.695 10.964 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.094 18.614 9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.766 19.928 7.984 1.00 0.00 H new ATOM 257 N GLU A 17 -5.202 14.471 8.885 1.00 0.00 N ATOM 258 CA GLU A 17 -6.413 13.688 9.100 1.00 0.00 C ATOM 259 C GLU A 17 -7.182 14.198 10.315 1.00 0.00 C ATOM 260 O GLU A 17 -6.594 14.513 11.350 1.00 0.00 O ATOM 261 CB GLU A 17 -6.065 12.210 9.287 1.00 0.00 C ATOM 262 CG GLU A 17 -5.460 11.894 10.645 1.00 0.00 C ATOM 263 CD GLU A 17 -6.510 11.565 11.688 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.447 10.803 11.369 1.00 0.00 O ATOM 265 OE2 GLU A 17 -6.395 12.070 12.825 1.00 0.00 O ATOM 0 H GLU A 17 -4.334 13.949 9.009 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.046 13.796 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.967 11.613 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.365 11.909 8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.775 11.052 10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.871 12.746 10.984 1.00 0.00 H new ATOM 272 N LYS A 18 -8.502 14.278 10.182 1.00 0.00 N ATOM 273 CA LYS A 18 -9.354 14.749 11.268 1.00 0.00 C ATOM 274 C LYS A 18 -10.295 13.644 11.739 1.00 0.00 C ATOM 275 O LYS A 18 -10.749 13.650 12.884 1.00 0.00 O ATOM 276 CB LYS A 18 -10.164 15.965 10.816 1.00 0.00 C ATOM 277 CG LYS A 18 -10.948 15.733 9.535 1.00 0.00 C ATOM 278 CD LYS A 18 -11.522 17.030 8.990 1.00 0.00 C ATOM 279 CE LYS A 18 -12.507 17.656 9.965 1.00 0.00 C ATOM 280 NZ LYS A 18 -13.070 18.932 9.442 1.00 0.00 N ATOM 0 H LYS A 18 -9.005 14.023 9.332 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.713 15.036 12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.856 16.245 11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.488 16.808 10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.298 15.279 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.757 15.028 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.712 17.731 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.021 16.838 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.318 16.955 10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.008 17.842 10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.737 19.327 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.299 19.610 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.568 18.751 8.547 1.00 0.00 H new ATOM 294 N SER A 19 -10.582 12.698 10.851 1.00 0.00 N ATOM 295 CA SER A 19 -11.471 11.589 11.176 1.00 0.00 C ATOM 296 C SER A 19 -10.769 10.251 10.965 1.00 0.00 C ATOM 297 O SER A 19 -9.766 10.152 10.258 1.00 0.00 O ATOM 298 CB SER A 19 -12.737 11.655 10.320 1.00 0.00 C ATOM 299 OG SER A 19 -12.831 12.896 9.643 1.00 0.00 O ATOM 0 H SER A 19 -10.212 12.677 9.901 1.00 0.00 H new ATOM 0 HA SER A 19 -11.747 11.673 12.227 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.732 10.841 9.595 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.614 11.514 10.951 1.00 0.00 H new ATOM 0 HG SER A 19 -13.648 12.912 9.102 1.00 0.00 H new ATOM 305 N PRO A 20 -11.308 9.195 11.592 1.00 0.00 N ATOM 306 CA PRO A 20 -10.751 7.843 11.488 1.00 0.00 C ATOM 307 C PRO A 20 -10.945 7.241 10.101 1.00 0.00 C ATOM 308 O PRO A 20 -10.360 6.209 9.774 1.00 0.00 O ATOM 309 CB PRO A 20 -11.546 7.051 12.530 1.00 0.00 C ATOM 310 CG PRO A 20 -12.833 7.789 12.665 1.00 0.00 C ATOM 311 CD PRO A 20 -12.504 9.240 12.451 1.00 0.00 C ATOM 0 HA PRO A 20 -9.674 7.832 11.654 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.711 6.024 12.205 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.015 7.003 13.481 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.561 7.442 11.931 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.272 7.630 13.650 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.325 9.772 11.970 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.303 9.750 13.393 1.00 0.00 H new ATOM 319 N ARG A 21 -11.769 7.894 9.287 1.00 0.00 N ATOM 320 CA ARG A 21 -12.040 7.422 7.935 1.00 0.00 C ATOM 321 C ARG A 21 -11.117 8.100 6.927 1.00 0.00 C ATOM 322 O ARG A 21 -10.830 7.549 5.865 1.00 0.00 O ATOM 323 CB ARG A 21 -13.501 7.687 7.563 1.00 0.00 C ATOM 324 CG ARG A 21 -14.418 6.501 7.816 1.00 0.00 C ATOM 325 CD ARG A 21 -14.036 5.308 6.954 1.00 0.00 C ATOM 326 NE ARG A 21 -15.055 4.262 6.986 1.00 0.00 N ATOM 327 CZ ARG A 21 -16.220 4.350 6.355 1.00 0.00 C ATOM 328 NH1 ARG A 21 -16.513 5.432 5.645 1.00 0.00 N ATOM 329 NH2 ARG A 21 -17.095 3.356 6.432 1.00 0.00 N ATOM 0 H ARG A 21 -12.260 8.751 9.541 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.854 6.348 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.863 8.543 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.555 7.959 6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.371 6.221 8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.449 6.786 7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.886 5.637 5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.086 4.900 7.300 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.861 3.417 7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.843 6.198 5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.409 5.497 5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.873 2.522 6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.989 3.425 5.947 1.00 0.00 H new ATOM 343 N GLU A 22 -10.655 9.300 7.269 1.00 0.00 N ATOM 344 CA GLU A 22 -9.765 10.053 6.393 1.00 0.00 C ATOM 345 C GLU A 22 -8.308 9.677 6.645 1.00 0.00 C ATOM 346 O GLU A 22 -7.999 8.931 7.575 1.00 0.00 O ATOM 347 CB GLU A 22 -9.960 11.556 6.602 1.00 0.00 C ATOM 348 CG GLU A 22 -11.385 12.024 6.362 1.00 0.00 C ATOM 349 CD GLU A 22 -11.483 13.526 6.179 1.00 0.00 C ATOM 350 OE1 GLU A 22 -10.426 14.191 6.149 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.617 14.037 6.065 1.00 0.00 O ATOM 0 H GLU A 22 -10.882 9.770 8.145 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.013 9.802 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.669 11.813 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.291 12.097 5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.782 11.527 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.009 11.723 7.204 1.00 0.00 H new ATOM 358 N VAL A 23 -7.415 10.200 5.811 1.00 0.00 N ATOM 359 CA VAL A 23 -5.990 9.921 5.943 1.00 0.00 C ATOM 360 C VAL A 23 -5.169 11.203 5.859 1.00 0.00 C ATOM 361 O VAL A 23 -5.561 12.163 5.195 1.00 0.00 O ATOM 362 CB VAL A 23 -5.506 8.944 4.855 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.971 7.529 5.164 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.996 9.387 3.485 1.00 0.00 C ATOM 0 H VAL A 23 -7.653 10.819 5.036 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.847 9.464 6.922 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.416 8.949 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.620 6.852 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.567 7.215 6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.060 7.504 5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.645 8.685 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.086 9.412 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.609 10.382 3.264 1.00 0.00 H new ATOM 374 N THR A 24 -4.027 11.213 6.538 1.00 0.00 N ATOM 375 CA THR A 24 -3.150 12.377 6.542 1.00 0.00 C ATOM 376 C THR A 24 -2.203 12.357 5.348 1.00 0.00 C ATOM 377 O THR A 24 -1.516 11.366 5.106 1.00 0.00 O ATOM 378 CB THR A 24 -2.321 12.452 7.839 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.191 12.553 8.971 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.377 13.645 7.809 1.00 0.00 C ATOM 0 H THR A 24 -3.687 10.427 7.093 1.00 0.00 H new ATOM 0 HA THR A 24 -3.792 13.256 6.478 1.00 0.00 H new ATOM 0 HB THR A 24 -1.727 11.541 7.919 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.657 12.598 9.791 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.802 13.678 8.735 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.697 13.550 6.963 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.955 14.564 7.708 1.00 0.00 H new ATOM 388 N MET A 25 -2.173 13.458 4.604 1.00 0.00 N ATOM 389 CA MET A 25 -1.308 13.566 3.435 1.00 0.00 C ATOM 390 C MET A 25 -0.392 14.781 3.547 1.00 0.00 C ATOM 391 O MET A 25 -0.716 15.756 4.225 1.00 0.00 O ATOM 392 CB MET A 25 -2.148 13.662 2.160 1.00 0.00 C ATOM 393 CG MET A 25 -3.128 14.824 2.164 1.00 0.00 C ATOM 394 SD MET A 25 -3.836 15.140 0.536 1.00 0.00 S ATOM 395 CE MET A 25 -4.270 13.479 0.027 1.00 0.00 C ATOM 0 H MET A 25 -2.737 14.287 4.790 1.00 0.00 H new ATOM 0 HA MET A 25 -0.689 12.670 3.387 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.482 13.762 1.303 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.701 12.732 2.028 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.931 14.615 2.871 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.620 15.722 2.516 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.103 13.519 -0.675 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.412 13.010 -0.455 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.560 12.895 0.900 1.00 0.00 H new ATOM 405 N LYS A 26 0.754 14.716 2.878 1.00 0.00 N ATOM 406 CA LYS A 26 1.718 15.810 2.901 1.00 0.00 C ATOM 407 C LYS A 26 2.349 16.009 1.526 1.00 0.00 C ATOM 408 O LYS A 26 2.263 15.137 0.661 1.00 0.00 O ATOM 409 CB LYS A 26 2.807 15.536 3.939 1.00 0.00 C ATOM 410 CG LYS A 26 2.264 15.160 5.307 1.00 0.00 C ATOM 411 CD LYS A 26 1.609 16.348 5.992 1.00 0.00 C ATOM 412 CE LYS A 26 2.644 17.261 6.633 1.00 0.00 C ATOM 413 NZ LYS A 26 3.400 16.570 7.714 1.00 0.00 N ATOM 0 H LYS A 26 1.038 13.916 2.312 1.00 0.00 H new ATOM 0 HA LYS A 26 1.187 16.722 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.447 14.731 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.434 16.422 4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.538 14.353 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.074 14.781 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.025 16.912 5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.914 15.993 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.340 17.613 5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.148 18.141 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.779 17.275 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.765 15.922 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.185 16.030 7.298 1.00 0.00 H new ATOM 427 N LYS A 27 2.984 17.159 1.333 1.00 0.00 N ATOM 428 CA LYS A 27 3.632 17.472 0.065 1.00 0.00 C ATOM 429 C LYS A 27 4.555 16.337 -0.369 1.00 0.00 C ATOM 430 O LYS A 27 5.513 16.003 0.327 1.00 0.00 O ATOM 431 CB LYS A 27 4.428 18.774 0.182 1.00 0.00 C ATOM 432 CG LYS A 27 3.599 20.019 -0.078 1.00 0.00 C ATOM 433 CD LYS A 27 2.981 20.556 1.202 1.00 0.00 C ATOM 434 CE LYS A 27 2.369 21.932 0.992 1.00 0.00 C ATOM 435 NZ LYS A 27 3.375 23.018 1.155 1.00 0.00 N ATOM 0 H LYS A 27 3.064 17.891 2.039 1.00 0.00 H new ATOM 0 HA LYS A 27 2.856 17.595 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.860 18.837 1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.259 18.747 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.227 20.787 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.811 19.789 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.214 19.866 1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.743 20.610 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.934 21.987 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.556 22.080 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.918 23.940 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.772 22.982 2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.138 22.892 0.460 1.00 0.00 H new ATOM 449 N GLY A 28 4.260 15.749 -1.524 1.00 0.00 N ATOM 450 CA GLY A 28 5.074 14.659 -2.030 1.00 0.00 C ATOM 451 C GLY A 28 4.567 13.302 -1.584 1.00 0.00 C ATOM 452 O GLY A 28 5.253 12.292 -1.747 1.00 0.00 O ATOM 0 H GLY A 28 3.472 16.008 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.091 14.697 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.102 14.789 -1.691 1.00 0.00 H new ATOM 456 N ASP A 29 3.366 13.277 -1.019 1.00 0.00 N ATOM 457 CA ASP A 29 2.768 12.033 -0.547 1.00 0.00 C ATOM 458 C ASP A 29 2.254 11.199 -1.716 1.00 0.00 C ATOM 459 O ASP A 29 1.824 11.740 -2.735 1.00 0.00 O ATOM 460 CB ASP A 29 1.626 12.328 0.426 1.00 0.00 C ATOM 461 CG ASP A 29 0.734 11.124 0.655 1.00 0.00 C ATOM 462 OD1 ASP A 29 1.268 10.042 0.979 1.00 0.00 O ATOM 463 OD2 ASP A 29 -0.499 11.263 0.510 1.00 0.00 O ATOM 0 H ASP A 29 2.786 14.104 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 29 3.539 11.463 -0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.041 12.656 1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.027 13.152 0.039 1.00 0.00 H new ATOM 468 N ILE A 30 2.304 9.880 -1.562 1.00 0.00 N ATOM 469 CA ILE A 30 1.843 8.972 -2.605 1.00 0.00 C ATOM 470 C ILE A 30 0.736 8.060 -2.090 1.00 0.00 C ATOM 471 O ILE A 30 0.915 7.341 -1.106 1.00 0.00 O ATOM 472 CB ILE A 30 2.996 8.106 -3.147 1.00 0.00 C ATOM 473 CG1 ILE A 30 4.082 8.991 -3.762 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.474 7.110 -4.171 1.00 0.00 C ATOM 475 CD1 ILE A 30 5.461 8.371 -3.722 1.00 0.00 C ATOM 0 H ILE A 30 2.659 9.417 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 30 1.453 9.591 -3.413 1.00 0.00 H new ATOM 0 HB ILE A 30 3.434 7.550 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.820 9.207 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.105 9.944 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.300 6.505 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.733 6.462 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.014 7.648 -5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.180 9.054 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.744 8.180 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.454 7.432 -4.276 1.00 0.00 H new ATOM 487 N LEU A 31 -0.410 8.092 -2.762 1.00 0.00 N ATOM 488 CA LEU A 31 -1.548 7.266 -2.374 1.00 0.00 C ATOM 489 C LEU A 31 -2.105 6.508 -3.575 1.00 0.00 C ATOM 490 O LEU A 31 -1.919 6.915 -4.722 1.00 0.00 O ATOM 491 CB LEU A 31 -2.643 8.132 -1.750 1.00 0.00 C ATOM 492 CG LEU A 31 -2.165 9.297 -0.882 1.00 0.00 C ATOM 493 CD1 LEU A 31 -2.377 10.620 -1.600 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.885 9.293 0.459 1.00 0.00 C ATOM 0 H LEU A 31 -0.576 8.681 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.204 6.540 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.262 8.533 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.283 7.492 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.098 9.175 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.031 11.437 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.815 10.621 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.437 10.752 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.533 10.129 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.958 9.390 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.680 8.357 0.979 1.00 0.00 H new ATOM 506 N THR A 32 -2.793 5.403 -3.303 1.00 0.00 N ATOM 507 CA THR A 32 -3.379 4.588 -4.360 1.00 0.00 C ATOM 508 C THR A 32 -4.865 4.885 -4.523 1.00 0.00 C ATOM 509 O THR A 32 -5.676 4.537 -3.664 1.00 0.00 O ATOM 510 CB THR A 32 -3.195 3.085 -4.079 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.822 2.806 -3.785 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.644 2.252 -5.270 1.00 0.00 C ATOM 0 H THR A 32 -2.958 5.052 -2.360 1.00 0.00 H new ATOM 0 HA THR A 32 -2.857 4.844 -5.282 1.00 0.00 H new ATOM 0 HB THR A 32 -3.811 2.821 -3.219 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.714 1.849 -3.606 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.504 1.194 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.698 2.444 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.052 2.520 -6.145 1.00 0.00 H new ATOM 520 N LEU A 33 -5.217 5.528 -5.631 1.00 0.00 N ATOM 521 CA LEU A 33 -6.608 5.872 -5.907 1.00 0.00 C ATOM 522 C LEU A 33 -7.490 4.627 -5.889 1.00 0.00 C ATOM 523 O LEU A 33 -7.374 3.759 -6.755 1.00 0.00 O ATOM 524 CB LEU A 33 -6.722 6.572 -7.262 1.00 0.00 C ATOM 525 CG LEU A 33 -7.739 7.711 -7.346 1.00 0.00 C ATOM 526 CD1 LEU A 33 -9.088 7.263 -6.805 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.236 8.931 -6.588 1.00 0.00 C ATOM 0 H LEU A 33 -4.559 5.822 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.951 6.550 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.741 6.967 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.980 5.826 -8.013 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.864 7.985 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.799 8.086 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.453 6.419 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.980 6.962 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.972 9.732 -6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.082 8.671 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.293 9.265 -7.021 1.00 0.00 H new ATOM 539 N LEU A 34 -8.373 4.548 -4.900 1.00 0.00 N ATOM 540 CA LEU A 34 -9.277 3.411 -4.770 1.00 0.00 C ATOM 541 C LEU A 34 -10.645 3.733 -5.363 1.00 0.00 C ATOM 542 O LEU A 34 -11.275 2.884 -5.992 1.00 0.00 O ATOM 543 CB LEU A 34 -9.426 3.017 -3.300 1.00 0.00 C ATOM 544 CG LEU A 34 -9.546 1.519 -3.015 1.00 0.00 C ATOM 545 CD1 LEU A 34 -8.904 1.176 -1.680 1.00 0.00 C ATOM 546 CD2 LEU A 34 -11.006 1.089 -3.032 1.00 0.00 C ATOM 0 H LEU A 34 -8.482 5.258 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.849 2.574 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.566 3.403 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.309 3.515 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.018 0.976 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.999 0.106 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.849 1.448 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.403 1.728 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.073 0.020 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.556 1.640 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.436 1.298 -4.012 1.00 0.00 H new ATOM 558 N ASN A 35 -11.097 4.966 -5.159 1.00 0.00 N ATOM 559 CA ASN A 35 -12.390 5.401 -5.675 1.00 0.00 C ATOM 560 C ASN A 35 -12.363 6.884 -6.031 1.00 0.00 C ATOM 561 O ASN A 35 -12.195 7.739 -5.162 1.00 0.00 O ATOM 562 CB ASN A 35 -13.490 5.132 -4.645 1.00 0.00 C ATOM 563 CG ASN A 35 -14.724 4.507 -5.267 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.286 3.552 -4.732 1.00 0.00 O ATOM 565 ND2 ASN A 35 -15.151 5.046 -6.404 1.00 0.00 N ATOM 0 H ASN A 35 -10.587 5.681 -4.640 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.602 4.832 -6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.104 4.472 -3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.766 6.068 -4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.976 4.668 -6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.653 5.838 -6.812 1.00 0.00 H new ATOM 572 N SER A 36 -12.529 7.181 -7.316 1.00 0.00 N ATOM 573 CA SER A 36 -12.520 8.561 -7.789 1.00 0.00 C ATOM 574 C SER A 36 -13.898 8.969 -8.300 1.00 0.00 C ATOM 575 O SER A 36 -14.021 9.832 -9.170 1.00 0.00 O ATOM 576 CB SER A 36 -11.480 8.736 -8.897 1.00 0.00 C ATOM 577 OG SER A 36 -11.348 7.551 -9.664 1.00 0.00 O ATOM 0 H SER A 36 -12.671 6.485 -8.048 1.00 0.00 H new ATOM 0 HA SER A 36 -12.258 9.205 -6.950 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.771 9.562 -9.546 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.517 8.998 -8.458 1.00 0.00 H new ATOM 0 HG SER A 36 -10.679 7.689 -10.367 1.00 0.00 H new ATOM 583 N THR A 37 -14.935 8.342 -7.752 1.00 0.00 N ATOM 584 CA THR A 37 -16.305 8.638 -8.152 1.00 0.00 C ATOM 585 C THR A 37 -16.627 10.115 -7.960 1.00 0.00 C ATOM 586 O THR A 37 -17.360 10.708 -8.750 1.00 0.00 O ATOM 587 CB THR A 37 -17.317 7.795 -7.354 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.650 8.092 -7.786 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.190 8.065 -5.863 1.00 0.00 C ATOM 0 H THR A 37 -14.852 7.626 -7.030 1.00 0.00 H new ATOM 0 HA THR A 37 -16.387 8.386 -9.209 1.00 0.00 H new ATOM 0 HB THR A 37 -17.102 6.742 -7.536 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.288 7.551 -7.275 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.915 7.458 -5.320 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.183 7.811 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.381 9.120 -5.667 1.00 0.00 H new ATOM 597 N ASN A 38 -16.073 10.704 -6.905 1.00 0.00 N ATOM 598 CA ASN A 38 -16.302 12.114 -6.609 1.00 0.00 C ATOM 599 C ASN A 38 -15.183 12.979 -7.181 1.00 0.00 C ATOM 600 O ASN A 38 -14.115 12.478 -7.535 1.00 0.00 O ATOM 601 CB ASN A 38 -16.406 12.329 -5.098 1.00 0.00 C ATOM 602 CG ASN A 38 -17.823 12.637 -4.654 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.631 11.731 -4.447 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.132 13.920 -4.507 1.00 0.00 N ATOM 0 H ASN A 38 -15.463 10.227 -6.241 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.241 12.410 -7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.052 11.437 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.750 13.148 -4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -19.071 14.188 -4.211 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.431 14.638 -4.690 1.00 0.00 H new ATOM 611 N LYS A 39 -15.434 14.280 -7.269 1.00 0.00 N ATOM 612 CA LYS A 39 -14.448 15.217 -7.796 1.00 0.00 C ATOM 613 C LYS A 39 -13.777 15.992 -6.667 1.00 0.00 C ATOM 614 O LYS A 39 -12.600 16.343 -6.756 1.00 0.00 O ATOM 615 CB LYS A 39 -15.111 16.190 -8.774 1.00 0.00 C ATOM 616 CG LYS A 39 -15.423 15.574 -10.126 1.00 0.00 C ATOM 617 CD LYS A 39 -16.040 16.590 -11.073 1.00 0.00 C ATOM 618 CE LYS A 39 -17.522 16.785 -10.792 1.00 0.00 C ATOM 619 NZ LYS A 39 -18.265 17.216 -12.009 1.00 0.00 N ATOM 0 H LYS A 39 -16.313 14.711 -6.982 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.685 14.645 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.035 16.563 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.457 17.050 -8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.508 15.175 -10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.106 14.735 -9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.521 17.543 -10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.904 16.259 -12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.947 15.853 -10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.648 17.530 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.271 17.338 -11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.877 18.118 -12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.166 16.493 -12.750 1.00 0.00 H new ATOM 633 N ASP A 40 -14.532 16.256 -5.606 1.00 0.00 N ATOM 634 CA ASP A 40 -14.009 16.988 -4.458 1.00 0.00 C ATOM 635 C ASP A 40 -13.322 16.042 -3.478 1.00 0.00 C ATOM 636 O ASP A 40 -12.172 16.258 -3.095 1.00 0.00 O ATOM 637 CB ASP A 40 -15.135 17.744 -3.752 1.00 0.00 C ATOM 638 CG ASP A 40 -15.905 18.648 -4.694 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.275 19.242 -5.595 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.138 18.762 -4.532 1.00 0.00 O ATOM 0 H ASP A 40 -15.508 15.974 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.272 17.705 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.821 17.028 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.716 18.341 -2.942 1.00 0.00 H new ATOM 645 N TRP A 41 -14.034 14.996 -3.075 1.00 0.00 N ATOM 646 CA TRP A 41 -13.493 14.018 -2.138 1.00 0.00 C ATOM 647 C TRP A 41 -13.034 12.761 -2.868 1.00 0.00 C ATOM 648 O TRP A 41 -13.852 11.997 -3.380 1.00 0.00 O ATOM 649 CB TRP A 41 -14.541 13.658 -1.084 1.00 0.00 C ATOM 650 CG TRP A 41 -14.820 14.770 -0.119 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.947 15.541 -0.061 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.958 15.238 0.923 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.836 16.459 0.955 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.626 16.293 1.575 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.687 14.867 1.372 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.064 16.980 2.648 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.131 15.549 2.437 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.819 16.595 3.066 1.00 0.00 C ATOM 0 H TRP A 41 -14.987 14.803 -3.382 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.630 14.463 -1.644 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.468 13.380 -1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.203 12.782 -0.530 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.799 15.443 -0.717 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.541 17.152 1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.149 14.061 0.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.592 17.788 3.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.149 15.271 2.791 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.358 17.108 3.897 1.00 0.00 H new ATOM 669 N TRP A 42 -11.723 12.553 -2.912 1.00 0.00 N ATOM 670 CA TRP A 42 -11.157 11.386 -3.580 1.00 0.00 C ATOM 671 C TRP A 42 -10.781 10.309 -2.569 1.00 0.00 C ATOM 672 O TRP A 42 -10.230 10.604 -1.508 1.00 0.00 O ATOM 673 CB TRP A 42 -9.928 11.788 -4.397 1.00 0.00 C ATOM 674 CG TRP A 42 -10.248 12.140 -5.818 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.481 12.424 -6.334 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.322 12.243 -6.905 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.376 12.697 -7.677 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.063 12.594 -8.051 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.940 12.075 -7.022 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.465 12.778 -9.295 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.349 12.257 -8.257 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.110 12.607 -9.380 1.00 0.00 C ATOM 0 H TRP A 42 -11.032 13.176 -2.494 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.914 10.979 -4.251 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.446 12.641 -3.919 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.210 10.968 -4.386 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.402 12.433 -5.770 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.151 12.937 -8.295 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.344 11.808 -6.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.050 13.046 -10.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.282 12.127 -8.359 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.618 12.745 -10.331 1.00 0.00 H new ATOM 693 N LYS A 43 -11.082 9.059 -2.903 1.00 0.00 N ATOM 694 CA LYS A 43 -10.774 7.936 -2.025 1.00 0.00 C ATOM 695 C LYS A 43 -9.464 7.270 -2.433 1.00 0.00 C ATOM 696 O LYS A 43 -9.349 6.723 -3.530 1.00 0.00 O ATOM 697 CB LYS A 43 -11.910 6.912 -2.055 1.00 0.00 C ATOM 698 CG LYS A 43 -13.269 7.500 -1.718 1.00 0.00 C ATOM 699 CD LYS A 43 -14.291 6.414 -1.426 1.00 0.00 C ATOM 700 CE LYS A 43 -13.950 5.656 -0.153 1.00 0.00 C ATOM 701 NZ LYS A 43 -15.150 5.012 0.448 1.00 0.00 N ATOM 0 H LYS A 43 -11.539 8.798 -3.776 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.666 8.319 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.955 6.461 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.685 6.112 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.178 8.157 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.617 8.114 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.281 6.860 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.334 5.719 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.201 4.895 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.505 6.341 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.878 4.106 0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.551 5.637 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.861 4.843 -0.292 1.00 0.00 H new ATOM 715 N VAL A 44 -8.478 7.318 -1.542 1.00 0.00 N ATOM 716 CA VAL A 44 -7.177 6.717 -1.808 1.00 0.00 C ATOM 717 C VAL A 44 -6.758 5.788 -0.674 1.00 0.00 C ATOM 718 O VAL A 44 -7.285 5.871 0.435 1.00 0.00 O ATOM 719 CB VAL A 44 -6.091 7.792 -2.004 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.112 8.318 -3.431 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.279 8.925 -1.007 1.00 0.00 C ATOM 0 H VAL A 44 -8.556 7.767 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.277 6.141 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.117 7.337 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.338 9.076 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.926 7.497 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.087 8.758 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.504 9.676 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.259 9.380 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.210 8.532 0.007 1.00 0.00 H new ATOM 731 N GLU A 45 -5.807 4.905 -0.960 1.00 0.00 N ATOM 732 CA GLU A 45 -5.317 3.960 0.037 1.00 0.00 C ATOM 733 C GLU A 45 -3.889 4.299 0.453 1.00 0.00 C ATOM 734 O GLU A 45 -3.053 4.647 -0.382 1.00 0.00 O ATOM 735 CB GLU A 45 -5.376 2.532 -0.509 1.00 0.00 C ATOM 736 CG GLU A 45 -4.732 1.504 0.406 1.00 0.00 C ATOM 737 CD GLU A 45 -5.196 0.090 0.112 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.776 -0.468 -0.923 1.00 0.00 O ATOM 739 OE2 GLU A 45 -5.978 -0.457 0.916 1.00 0.00 O ATOM 0 H GLU A 45 -5.360 4.824 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.959 4.032 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.418 2.258 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.881 2.502 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.648 1.556 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.963 1.750 1.442 1.00 0.00 H new ATOM 746 N VAL A 46 -3.615 4.195 1.749 1.00 0.00 N ATOM 747 CA VAL A 46 -2.288 4.489 2.277 1.00 0.00 C ATOM 748 C VAL A 46 -1.678 3.262 2.945 1.00 0.00 C ATOM 749 O VAL A 46 -2.309 2.208 3.028 1.00 0.00 O ATOM 750 CB VAL A 46 -2.332 5.646 3.294 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.970 6.879 2.672 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.081 5.223 4.548 1.00 0.00 C ATOM 0 H VAL A 46 -4.295 3.909 2.454 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.668 4.783 1.430 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.310 5.899 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.993 7.686 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.388 7.192 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.988 6.644 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.103 6.052 5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.101 4.943 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.577 4.371 5.003 1.00 0.00 H new ATOM 762 N LYS A 47 -0.446 3.406 3.422 1.00 0.00 N ATOM 763 CA LYS A 47 0.251 2.311 4.086 1.00 0.00 C ATOM 764 C LYS A 47 0.690 2.717 5.489 1.00 0.00 C ATOM 765 O LYS A 47 1.588 3.543 5.654 1.00 0.00 O ATOM 766 CB LYS A 47 1.468 1.882 3.264 1.00 0.00 C ATOM 767 CG LYS A 47 1.953 0.478 3.583 1.00 0.00 C ATOM 768 CD LYS A 47 1.344 -0.549 2.643 1.00 0.00 C ATOM 769 CE LYS A 47 1.355 -1.941 3.257 1.00 0.00 C ATOM 770 NZ LYS A 47 0.280 -2.108 4.274 1.00 0.00 N ATOM 0 H LYS A 47 0.091 4.271 3.361 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.439 1.471 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.219 1.939 2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.281 2.587 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.040 0.442 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.696 0.228 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.320 -0.263 2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.899 -0.559 1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.230 -2.686 2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.324 -2.126 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.083 -3.082 4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.665 -1.915 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.494 -1.443 4.073 1.00 0.00 H new ATOM 784 N ILE A 48 0.051 2.130 6.496 1.00 0.00 N ATOM 785 CA ILE A 48 0.378 2.429 7.885 1.00 0.00 C ATOM 786 C ILE A 48 1.268 1.346 8.486 1.00 0.00 C ATOM 787 O ILE A 48 1.144 0.167 8.150 1.00 0.00 O ATOM 788 CB ILE A 48 -0.892 2.570 8.744 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.832 3.614 8.137 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.526 2.946 10.172 1.00 0.00 C ATOM 791 CD1 ILE A 48 -3.205 3.632 8.772 1.00 0.00 C ATOM 0 H ILE A 48 -0.695 1.445 6.376 1.00 0.00 H new ATOM 0 HA ILE A 48 0.914 3.378 7.886 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.409 1.610 8.762 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.380 4.601 8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.937 3.420 7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.434 3.042 10.767 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.109 2.171 10.601 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.010 3.895 10.172 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.818 4.395 8.293 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.676 2.657 8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.112 3.856 9.835 1.00 0.00 H new ATOM 803 N THR A 49 2.165 1.752 9.379 1.00 0.00 N ATOM 804 CA THR A 49 3.075 0.817 10.028 1.00 0.00 C ATOM 805 C THR A 49 2.978 0.920 11.546 1.00 0.00 C ATOM 806 O THR A 49 3.458 1.883 12.144 1.00 0.00 O ATOM 807 CB THR A 49 4.534 1.064 9.599 1.00 0.00 C ATOM 808 OG1 THR A 49 4.662 0.902 8.183 1.00 0.00 O ATOM 809 CG2 THR A 49 5.476 0.106 10.313 1.00 0.00 C ATOM 0 H THR A 49 2.281 2.723 9.669 1.00 0.00 H new ATOM 0 HA THR A 49 2.777 -0.184 9.715 1.00 0.00 H new ATOM 0 HB THR A 49 4.803 2.084 9.872 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.592 1.062 7.918 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.501 0.298 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.397 0.253 11.390 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.206 -0.921 10.066 1.00 0.00 H new ATOM 817 N VAL A 50 2.356 -0.079 12.164 1.00 0.00 N ATOM 818 CA VAL A 50 2.198 -0.102 13.613 1.00 0.00 C ATOM 819 C VAL A 50 2.821 -1.357 14.214 1.00 0.00 C ATOM 820 O VAL A 50 2.532 -2.472 13.783 1.00 0.00 O ATOM 821 CB VAL A 50 0.714 -0.035 14.017 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.575 0.035 15.530 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.035 1.156 13.356 1.00 0.00 C ATOM 0 H VAL A 50 1.953 -0.883 11.683 1.00 0.00 H new ATOM 0 HA VAL A 50 2.712 0.777 14.001 1.00 0.00 H new ATOM 0 HB VAL A 50 0.220 -0.944 13.672 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.481 0.082 15.797 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.023 -0.852 15.978 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.083 0.925 15.901 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.013 1.188 13.653 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.529 2.076 13.669 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.103 1.058 12.273 1.00 0.00 H new ATOM 833 N ASN A 51 3.678 -1.166 15.212 1.00 0.00 N ATOM 834 CA ASN A 51 4.342 -2.283 15.873 1.00 0.00 C ATOM 835 C ASN A 51 5.069 -3.162 14.859 1.00 0.00 C ATOM 836 O ASN A 51 5.157 -4.377 15.025 1.00 0.00 O ATOM 837 CB ASN A 51 3.326 -3.119 16.653 1.00 0.00 C ATOM 838 CG ASN A 51 2.892 -2.448 17.941 1.00 0.00 C ATOM 839 OD1 ASN A 51 3.696 -1.818 18.628 1.00 0.00 O ATOM 840 ND2 ASN A 51 1.613 -2.580 18.276 1.00 0.00 N ATOM 0 H ASN A 51 3.929 -0.248 15.580 1.00 0.00 H new ATOM 0 HA ASN A 51 5.077 -1.876 16.567 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.451 -3.299 16.028 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.760 -4.092 16.882 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.263 -2.150 19.132 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.981 -3.111 17.677 1.00 0.00 H new ATOM 847 N GLY A 52 5.587 -2.536 13.806 1.00 0.00 N ATOM 848 CA GLY A 52 6.299 -3.276 12.780 1.00 0.00 C ATOM 849 C GLY A 52 5.367 -4.063 11.881 1.00 0.00 C ATOM 850 O GLY A 52 5.790 -5.001 11.205 1.00 0.00 O ATOM 0 H GLY A 52 5.526 -1.531 13.645 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.883 -2.582 12.175 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.005 -3.959 13.253 1.00 0.00 H new ATOM 854 N LYS A 53 4.094 -3.682 11.872 1.00 0.00 N ATOM 855 CA LYS A 53 3.099 -4.359 11.050 1.00 0.00 C ATOM 856 C LYS A 53 2.534 -3.415 9.992 1.00 0.00 C ATOM 857 O LYS A 53 2.073 -2.317 10.307 1.00 0.00 O ATOM 858 CB LYS A 53 1.965 -4.898 11.925 1.00 0.00 C ATOM 859 CG LYS A 53 2.414 -5.954 12.920 1.00 0.00 C ATOM 860 CD LYS A 53 2.997 -7.169 12.218 1.00 0.00 C ATOM 861 CE LYS A 53 1.973 -7.834 11.312 1.00 0.00 C ATOM 862 NZ LYS A 53 2.467 -9.133 10.776 1.00 0.00 N ATOM 0 H LYS A 53 3.727 -2.907 12.425 1.00 0.00 H new ATOM 0 HA LYS A 53 3.588 -5.192 10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.511 -4.069 12.468 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.192 -5.321 11.283 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.159 -5.529 13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.567 -6.259 13.535 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.864 -6.869 11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.348 -7.886 12.960 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.049 -7.998 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.733 -7.167 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.740 -9.555 10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.335 -8.974 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.672 -9.779 11.565 1.00 0.00 H new ATOM 876 N THR A 54 2.572 -3.850 8.737 1.00 0.00 N ATOM 877 CA THR A 54 2.064 -3.044 7.633 1.00 0.00 C ATOM 878 C THR A 54 0.566 -3.251 7.446 1.00 0.00 C ATOM 879 O THR A 54 0.098 -4.381 7.305 1.00 0.00 O ATOM 880 CB THR A 54 2.786 -3.379 6.314 1.00 0.00 C ATOM 881 OG1 THR A 54 3.386 -4.677 6.400 1.00 0.00 O ATOM 882 CG2 THR A 54 3.854 -2.341 6.003 1.00 0.00 C ATOM 0 H THR A 54 2.949 -4.756 8.459 1.00 0.00 H new ATOM 0 HA THR A 54 2.255 -2.002 7.888 1.00 0.00 H new ATOM 0 HB THR A 54 2.050 -3.372 5.510 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.841 -4.883 5.557 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.350 -2.599 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.391 -1.359 5.910 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.587 -2.321 6.809 1.00 0.00 H new ATOM 890 N TYR A 55 -0.182 -2.153 7.444 1.00 0.00 N ATOM 891 CA TYR A 55 -1.629 -2.215 7.276 1.00 0.00 C ATOM 892 C TYR A 55 -2.081 -1.332 6.116 1.00 0.00 C ATOM 893 O TYR A 55 -1.487 -0.287 5.850 1.00 0.00 O ATOM 894 CB TYR A 55 -2.333 -1.783 8.564 1.00 0.00 C ATOM 895 CG TYR A 55 -2.089 -2.716 9.728 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.804 -3.902 9.855 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.146 -2.413 10.702 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.586 -4.757 10.917 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.921 -3.263 11.767 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.643 -4.434 11.870 1.00 0.00 C ATOM 901 OH TYR A 55 -1.422 -5.283 12.931 1.00 0.00 O ATOM 0 H TYR A 55 0.190 -1.210 7.557 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.899 -3.247 7.051 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.996 -0.782 8.834 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.405 -1.719 8.379 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.543 -4.159 9.110 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.579 -1.497 10.625 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.151 -5.674 11.001 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.184 -3.012 12.515 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.725 -4.909 13.510 1.00 0.00 H new ATOM 911 N GLU A 56 -3.136 -1.760 5.431 1.00 0.00 N ATOM 912 CA GLU A 56 -3.668 -1.008 4.300 1.00 0.00 C ATOM 913 C GLU A 56 -5.094 -0.543 4.578 1.00 0.00 C ATOM 914 O GLU A 56 -5.913 -1.298 5.102 1.00 0.00 O ATOM 915 CB GLU A 56 -3.636 -1.863 3.031 1.00 0.00 C ATOM 916 CG GLU A 56 -2.305 -1.820 2.301 1.00 0.00 C ATOM 917 CD GLU A 56 -2.453 -2.018 0.805 1.00 0.00 C ATOM 918 OE1 GLU A 56 -2.772 -3.150 0.385 1.00 0.00 O ATOM 919 OE2 GLU A 56 -2.249 -1.041 0.055 1.00 0.00 O ATOM 0 H GLU A 56 -3.639 -2.623 5.639 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.040 -0.129 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.863 -2.896 3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.422 -1.525 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.822 -0.862 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.649 -2.593 2.703 1.00 0.00 H new ATOM 926 N ARG A 57 -5.384 0.704 4.222 1.00 0.00 N ATOM 927 CA ARG A 57 -6.710 1.271 4.435 1.00 0.00 C ATOM 928 C ARG A 57 -6.984 2.399 3.444 1.00 0.00 C ATOM 929 O ARG A 57 -6.062 3.079 2.993 1.00 0.00 O ATOM 930 CB ARG A 57 -6.842 1.792 5.867 1.00 0.00 C ATOM 931 CG ARG A 57 -5.905 2.947 6.183 1.00 0.00 C ATOM 932 CD ARG A 57 -6.376 3.728 7.400 1.00 0.00 C ATOM 933 NE ARG A 57 -5.741 5.040 7.487 1.00 0.00 N ATOM 934 CZ ARG A 57 -5.940 5.889 8.490 1.00 0.00 C ATOM 935 NH1 ARG A 57 -6.753 5.564 9.485 1.00 0.00 N ATOM 936 NH2 ARG A 57 -5.326 7.065 8.498 1.00 0.00 N ATOM 0 H ARG A 57 -4.718 1.341 3.785 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.445 0.482 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.870 2.113 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.646 0.975 6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.900 2.564 6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.844 3.613 5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.458 3.851 7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.157 3.159 8.303 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.110 5.320 6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.227 4.661 9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.904 6.217 10.254 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.700 7.319 7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.480 7.715 9.269 1.00 0.00 H new ATOM 950 N GLN A 58 -8.256 2.590 3.110 1.00 0.00 N ATOM 951 CA GLN A 58 -8.650 3.635 2.172 1.00 0.00 C ATOM 952 C GLN A 58 -9.380 4.765 2.891 1.00 0.00 C ATOM 953 O GLN A 58 -10.245 4.523 3.731 1.00 0.00 O ATOM 954 CB GLN A 58 -9.543 3.053 1.074 1.00 0.00 C ATOM 955 CG GLN A 58 -10.966 2.776 1.530 1.00 0.00 C ATOM 956 CD GLN A 58 -11.845 2.251 0.412 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.548 1.253 0.576 1.00 0.00 O ATOM 958 NE2 GLN A 58 -11.811 2.923 -0.733 1.00 0.00 N ATOM 0 H GLN A 58 -9.031 2.036 3.474 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.746 4.041 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.568 3.746 0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.100 2.126 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.948 2.051 2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.401 3.693 1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.214 3.745 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.382 2.617 -1.521 1.00 0.00 H new ATOM 967 N GLY A 59 -9.023 6.001 2.555 1.00 0.00 N ATOM 968 CA GLY A 59 -9.653 7.150 3.178 1.00 0.00 C ATOM 969 C GLY A 59 -10.001 8.234 2.178 1.00 0.00 C ATOM 970 O GLY A 59 -9.615 8.159 1.011 1.00 0.00 O ATOM 0 H GLY A 59 -8.309 6.227 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.559 6.829 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.985 7.560 3.936 1.00 0.00 H new ATOM 974 N PHE A 60 -10.734 9.245 2.634 1.00 0.00 N ATOM 975 CA PHE A 60 -11.137 10.348 1.769 1.00 0.00 C ATOM 976 C PHE A 60 -10.178 11.527 1.909 1.00 0.00 C ATOM 977 O PHE A 60 -9.659 11.794 2.993 1.00 0.00 O ATOM 978 CB PHE A 60 -12.562 10.792 2.105 1.00 0.00 C ATOM 979 CG PHE A 60 -13.523 9.650 2.268 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.641 8.994 3.483 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.309 9.232 1.206 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.525 7.943 3.636 1.00 0.00 C ATOM 983 CE2 PHE A 60 -15.195 8.181 1.354 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.303 7.535 2.570 1.00 0.00 C ATOM 0 H PHE A 60 -11.061 9.323 3.597 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.106 9.998 0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.545 11.376 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.924 11.451 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.035 9.308 4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.229 9.733 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.608 7.441 4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.803 7.865 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.994 6.713 2.687 1.00 0.00 H new ATOM 994 N VAL A 61 -9.947 12.229 0.804 1.00 0.00 N ATOM 995 CA VAL A 61 -9.052 13.379 0.802 1.00 0.00 C ATOM 996 C VAL A 61 -9.427 14.365 -0.298 1.00 0.00 C ATOM 997 O VAL A 61 -10.044 14.009 -1.302 1.00 0.00 O ATOM 998 CB VAL A 61 -7.585 12.949 0.613 1.00 0.00 C ATOM 999 CG1 VAL A 61 -7.027 12.373 1.905 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.468 11.944 -0.523 1.00 0.00 C ATOM 0 H VAL A 61 -10.368 12.021 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.158 13.864 1.772 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.997 13.829 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.990 12.075 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.076 13.127 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.615 11.504 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.425 11.651 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.068 11.064 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.826 12.397 -1.448 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.045 15.637 -0.108 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.330 16.702 -1.075 1.00 0.00 C ATOM 1012 C PRO A 62 -8.523 16.549 -2.360 1.00 0.00 C ATOM 1013 O PRO A 62 -7.305 16.725 -2.364 1.00 0.00 O ATOM 1014 CB PRO A 62 -8.916 17.975 -0.332 1.00 0.00 C ATOM 1015 CG PRO A 62 -7.899 17.523 0.657 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.306 16.134 1.065 1.00 0.00 C ATOM 0 HA PRO A 62 -10.373 16.697 -1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.501 18.715 -1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.769 18.440 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.901 17.524 0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.869 18.190 1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.440 15.511 1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.930 16.144 1.959 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.211 16.221 -3.449 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.558 16.047 -4.741 1.00 0.00 C ATOM 1026 C ALA A 63 -7.887 17.339 -5.195 1.00 0.00 C ATOM 1027 O ALA A 63 -6.887 17.311 -5.912 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.564 15.578 -5.782 1.00 0.00 C ATOM 0 H ALA A 63 -10.220 16.071 -3.462 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.785 15.286 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.063 15.452 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.994 14.626 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.357 16.319 -5.881 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.444 18.470 -4.774 1.00 0.00 N ATOM 1035 CA ALA A 64 -7.898 19.772 -5.137 1.00 0.00 C ATOM 1036 C ALA A 64 -6.508 19.970 -4.541 1.00 0.00 C ATOM 1037 O ALA A 64 -5.774 20.874 -4.941 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.833 20.882 -4.680 1.00 0.00 C ATOM 0 H ALA A 64 -9.273 18.511 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.808 19.811 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.413 21.849 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.805 20.758 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.952 20.835 -3.597 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.154 19.120 -3.584 1.00 0.00 N ATOM 1045 CA TYR A 65 -4.853 19.204 -2.931 1.00 0.00 C ATOM 1046 C TYR A 65 -3.896 18.153 -3.486 1.00 0.00 C ATOM 1047 O TYR A 65 -2.717 18.121 -3.131 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.005 19.024 -1.420 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.316 20.308 -0.685 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.163 21.261 -1.240 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.764 20.570 0.563 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.450 22.436 -0.573 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.047 21.741 1.238 1.00 0.00 C ATOM 1054 CZ TYR A 65 -5.890 22.671 0.666 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.173 23.840 1.334 1.00 0.00 O ATOM 0 H TYR A 65 -6.749 18.365 -3.243 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.437 20.191 -3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.799 18.303 -1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.085 18.599 -1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.604 21.079 -2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.102 19.845 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.109 23.167 -1.019 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.611 21.928 2.208 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.700 23.849 2.192 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.412 17.296 -4.361 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.605 16.244 -4.968 1.00 0.00 C ATOM 1067 C VAL A 66 -3.831 16.178 -6.474 1.00 0.00 C ATOM 1068 O VAL A 66 -4.580 16.977 -7.036 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.920 14.868 -4.351 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.703 14.895 -2.846 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.343 14.448 -4.686 1.00 0.00 C ATOM 0 H VAL A 66 -5.385 17.309 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.562 16.492 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.238 14.133 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.931 13.914 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.665 15.148 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.358 15.642 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.549 13.474 -4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.043 15.183 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.459 14.386 -5.768 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.179 15.219 -7.123 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.310 15.045 -8.565 1.00 0.00 C ATOM 1083 C LYS A 67 -2.988 13.611 -8.971 1.00 0.00 C ATOM 1084 O LYS A 67 -2.354 12.869 -8.221 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.383 16.015 -9.302 1.00 0.00 C ATOM 1086 CG LYS A 67 -2.891 17.447 -9.319 1.00 0.00 C ATOM 1087 CD LYS A 67 -2.319 18.227 -10.491 1.00 0.00 C ATOM 1088 CE LYS A 67 -3.379 18.505 -11.546 1.00 0.00 C ATOM 1089 NZ LYS A 67 -3.365 17.483 -12.629 1.00 0.00 N ATOM 0 H LYS A 67 -2.554 14.550 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.343 15.259 -8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.400 15.993 -8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.254 15.672 -10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.979 17.447 -9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.621 17.941 -8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.903 19.169 -10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.498 17.665 -10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.363 18.523 -11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.213 19.493 -11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.102 17.708 -13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.435 17.483 -13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.549 16.544 -12.222 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.430 13.225 -10.164 1.00 0.00 N ATOM 1104 CA LYS A 68 -3.187 11.881 -10.672 1.00 0.00 C ATOM 1105 C LYS A 68 -1.903 11.833 -11.494 1.00 0.00 C ATOM 1106 O LYS A 68 -1.610 12.751 -12.260 1.00 0.00 O ATOM 1107 CB LYS A 68 -4.369 11.415 -11.525 1.00 0.00 C ATOM 1108 CG LYS A 68 -4.570 9.909 -11.517 1.00 0.00 C ATOM 1109 CD LYS A 68 -5.998 9.535 -11.878 1.00 0.00 C ATOM 1110 CE LYS A 68 -6.184 8.026 -11.921 1.00 0.00 C ATOM 1111 NZ LYS A 68 -5.824 7.461 -13.250 1.00 0.00 N ATOM 0 H LYS A 68 -3.959 13.825 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.076 11.212 -9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.278 11.896 -11.165 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.218 11.747 -12.552 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.882 9.445 -12.224 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.328 9.514 -10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.684 9.967 -11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.253 9.962 -12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.568 7.562 -11.150 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.221 7.781 -11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.516 6.731 -13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.829 8.219 -13.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.875 7.037 -13.202 1.00 0.00 H new ATOM 1125 N LEU A 69 -1.142 10.757 -11.331 1.00 0.00 N ATOM 1126 CA LEU A 69 0.111 10.588 -12.059 1.00 0.00 C ATOM 1127 C LEU A 69 -0.149 10.133 -13.491 1.00 0.00 C ATOM 1128 O LEU A 69 0.519 10.578 -14.425 1.00 0.00 O ATOM 1129 CB LEU A 69 1.007 9.575 -11.345 1.00 0.00 C ATOM 1130 CG LEU A 69 1.981 10.148 -10.315 1.00 0.00 C ATOM 1131 CD1 LEU A 69 2.992 11.063 -10.988 1.00 0.00 C ATOM 1132 CD2 LEU A 69 1.226 10.895 -9.225 1.00 0.00 C ATOM 0 H LEU A 69 -1.370 9.988 -10.701 1.00 0.00 H new ATOM 0 HA LEU A 69 0.617 11.553 -12.090 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.370 8.845 -10.846 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.582 9.035 -12.097 1.00 0.00 H new ATOM 0 HG LEU A 69 2.521 9.321 -9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.677 11.461 -10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.555 10.499 -11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.470 11.886 -11.476 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.935 11.296 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.660 11.713 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.542 10.211 -8.723 1.00 0.00 H new ATOM 1144 N ASP A 70 -1.124 9.247 -13.657 1.00 0.00 N ATOM 1145 CA ASP A 70 -1.475 8.734 -14.977 1.00 0.00 C ATOM 1146 C ASP A 70 -1.889 9.869 -15.908 1.00 0.00 C ATOM 1147 O ASP A 70 -2.654 9.663 -16.852 1.00 0.00 O ATOM 1148 CB ASP A 70 -2.606 7.711 -14.865 1.00 0.00 C ATOM 1149 CG ASP A 70 -2.224 6.515 -14.016 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -1.202 5.868 -14.328 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -2.945 6.227 -13.039 1.00 0.00 O ATOM 0 H ASP A 70 -1.686 8.869 -12.894 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.595 8.247 -15.397 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.485 8.192 -14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.884 7.371 -15.862 1.00 0.00 H new TER 1156 ASP A 70