USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 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 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 168:sc= -2.33 (180deg=-2.52!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 20:sc= 0.725 USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= 1.17 (180deg=-1.17) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 1.02 (180deg=0.461) USER MOD Single : A 23 SER OG : rot -111:sc= 1.25 USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 2.39 (180deg=2.08) USER MOD Single : A 42 THR OG1 : rot -34:sc= 0.649 USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= 0.871 (180deg=0.334) USER MOD Single : A 47 LYS NZ :NH3+ 146:sc= 2.56 (180deg=1.97) USER MOD Single : A 48 ASN : amide:sc= 1.15 K(o=1.2,f=-0.052) USER MOD Single : A 50 GLN : amide:sc= -0.0779 X(o=-0.078,f=-0.16) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 8.033 20.325 5.586 1.00 0.00 N ATOM 2 CA MET A 4 7.481 19.375 4.589 1.00 0.00 C ATOM 3 C MET A 4 8.247 18.065 4.625 1.00 0.00 C ATOM 4 O MET A 4 9.466 18.056 4.792 1.00 0.00 O ATOM 5 CB MET A 4 7.552 19.966 3.178 1.00 0.00 C ATOM 6 CG MET A 4 6.643 21.162 2.968 1.00 0.00 C ATOM 7 SD MET A 4 6.777 21.855 1.311 1.00 0.00 S ATOM 8 CE MET A 4 5.636 23.229 1.433 1.00 0.00 C ATOM 0 HA MET A 4 6.437 19.190 4.844 1.00 0.00 H new ATOM 0 HB2 MET A 4 8.580 20.262 2.970 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.291 19.192 2.456 1.00 0.00 H new ATOM 0 HG2 MET A 4 5.610 20.865 3.151 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.887 21.932 3.700 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.605 23.762 0.483 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.640 22.855 1.672 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.967 23.908 2.219 1.00 0.00 H new ATOM 20 N VAL A 5 7.535 16.961 4.466 1.00 0.00 N ATOM 21 CA VAL A 5 8.167 15.651 4.475 1.00 0.00 C ATOM 22 C VAL A 5 8.251 15.099 3.060 1.00 0.00 C ATOM 23 O VAL A 5 7.247 14.687 2.482 1.00 0.00 O ATOM 24 CB VAL A 5 7.406 14.650 5.374 1.00 0.00 C ATOM 25 CG1 VAL A 5 8.107 13.299 5.404 1.00 0.00 C ATOM 26 CG2 VAL A 5 7.256 15.202 6.783 1.00 0.00 C ATOM 0 H VAL A 5 6.524 16.945 4.330 1.00 0.00 H new ATOM 0 HA VAL A 5 9.170 15.777 4.883 1.00 0.00 H new ATOM 0 HB VAL A 5 6.412 14.507 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.550 12.614 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.157 12.892 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 5 9.117 13.422 5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.718 14.483 7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.243 15.381 7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.700 16.139 6.749 1.00 0.00 H new ATOM 36 N ILE A 6 9.447 15.120 2.500 1.00 0.00 N ATOM 37 CA ILE A 6 9.675 14.593 1.165 1.00 0.00 C ATOM 38 C ILE A 6 10.545 13.346 1.253 1.00 0.00 C ATOM 39 O ILE A 6 11.585 13.355 1.912 1.00 0.00 O ATOM 40 CB ILE A 6 10.354 15.639 0.250 1.00 0.00 C ATOM 41 CG1 ILE A 6 9.525 16.928 0.197 1.00 0.00 C ATOM 42 CG2 ILE A 6 10.559 15.078 -1.154 1.00 0.00 C ATOM 43 CD1 ILE A 6 8.129 16.744 -0.369 1.00 0.00 C ATOM 0 H ILE A 6 10.280 15.498 2.951 1.00 0.00 H new ATOM 0 HA ILE A 6 8.708 14.343 0.729 1.00 0.00 H new ATOM 0 HB ILE A 6 11.332 15.874 0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 6 9.446 17.338 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.056 17.664 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.038 15.831 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 6 11.192 14.192 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.594 14.810 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.609 17.702 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.197 16.364 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.578 16.033 0.247 1.00 0.00 H new ATOM 55 N GLY A 7 10.111 12.277 0.602 1.00 0.00 N ATOM 56 CA GLY A 7 10.833 11.025 0.678 1.00 0.00 C ATOM 57 C GLY A 7 10.425 10.228 1.894 1.00 0.00 C ATOM 58 O GLY A 7 10.865 10.514 3.004 1.00 0.00 O ATOM 0 H GLY A 7 9.272 12.255 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.646 10.440 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.904 11.222 0.713 1.00 0.00 H new ATOM 62 N MET A 8 9.570 9.239 1.691 1.00 0.00 N ATOM 63 CA MET A 8 9.050 8.447 2.797 1.00 0.00 C ATOM 64 C MET A 8 9.281 6.963 2.556 1.00 0.00 C ATOM 65 O MET A 8 9.343 6.512 1.410 1.00 0.00 O ATOM 66 CB MET A 8 7.556 8.745 3.028 1.00 0.00 C ATOM 67 CG MET A 8 6.669 8.587 1.799 1.00 0.00 C ATOM 68 SD MET A 8 6.260 6.871 1.430 1.00 0.00 S ATOM 69 CE MET A 8 5.165 7.076 0.029 1.00 0.00 C ATOM 0 H MET A 8 9.221 8.965 0.773 1.00 0.00 H new ATOM 0 HA MET A 8 9.592 8.727 3.700 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.186 8.084 3.812 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.458 9.765 3.399 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.747 9.148 1.950 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.172 9.027 0.938 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.996 6.109 -0.446 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.213 7.485 0.368 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.618 7.759 -0.690 1.00 0.00 H new ATOM 79 N LYS A 9 9.449 6.221 3.642 1.00 0.00 N ATOM 80 CA LYS A 9 9.611 4.776 3.571 1.00 0.00 C ATOM 81 C LYS A 9 8.380 4.080 4.125 1.00 0.00 C ATOM 82 O LYS A 9 7.807 4.524 5.120 1.00 0.00 O ATOM 83 CB LYS A 9 10.835 4.328 4.369 1.00 0.00 C ATOM 84 CG LYS A 9 12.157 4.806 3.802 1.00 0.00 C ATOM 85 CD LYS A 9 13.306 4.450 4.728 1.00 0.00 C ATOM 86 CE LYS A 9 14.636 4.881 4.145 1.00 0.00 C ATOM 87 NZ LYS A 9 15.747 4.734 5.120 1.00 0.00 N ATOM 0 H LYS A 9 9.477 6.600 4.589 1.00 0.00 H new ATOM 0 HA LYS A 9 9.746 4.506 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.740 4.690 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.845 3.239 4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.321 4.356 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.125 5.886 3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.158 4.929 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.315 3.374 4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.852 4.286 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.571 5.921 3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.638 5.040 4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.555 5.321 5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.827 3.738 5.407 1.00 0.00 H new ATOM 101 N PHE A 10 7.977 2.997 3.485 1.00 0.00 N ATOM 102 CA PHE A 10 6.883 2.189 3.989 1.00 0.00 C ATOM 103 C PHE A 10 7.124 0.722 3.675 1.00 0.00 C ATOM 104 O PHE A 10 7.822 0.385 2.717 1.00 0.00 O ATOM 105 CB PHE A 10 5.536 2.656 3.419 1.00 0.00 C ATOM 106 CG PHE A 10 5.368 2.465 1.936 1.00 0.00 C ATOM 107 CD1 PHE A 10 5.842 3.411 1.045 1.00 0.00 C ATOM 108 CD2 PHE A 10 4.720 1.345 1.438 1.00 0.00 C ATOM 109 CE1 PHE A 10 5.678 3.244 -0.316 1.00 0.00 C ATOM 110 CE2 PHE A 10 4.551 1.172 0.079 1.00 0.00 C ATOM 111 CZ PHE A 10 5.029 2.123 -0.800 1.00 0.00 C ATOM 0 H PHE A 10 8.391 2.658 2.617 1.00 0.00 H new ATOM 0 HA PHE A 10 6.841 2.311 5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.737 2.120 3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.409 3.714 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.346 4.290 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.343 0.599 2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.056 3.988 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.046 0.294 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.896 1.992 -1.864 1.00 0.00 H new ATOM 121 N THR A 11 6.569 -0.149 4.494 1.00 0.00 N ATOM 122 CA THR A 11 6.727 -1.573 4.290 1.00 0.00 C ATOM 123 C THR A 11 5.398 -2.185 3.864 1.00 0.00 C ATOM 124 O THR A 11 4.418 -2.130 4.606 1.00 0.00 O ATOM 125 CB THR A 11 7.227 -2.262 5.568 1.00 0.00 C ATOM 126 OG1 THR A 11 8.259 -1.470 6.168 1.00 0.00 O ATOM 127 CG2 THR A 11 7.772 -3.643 5.253 1.00 0.00 C ATOM 0 H THR A 11 6.006 0.105 5.306 1.00 0.00 H new ATOM 0 HA THR A 11 7.469 -1.724 3.506 1.00 0.00 H new ATOM 0 HB THR A 11 6.389 -2.364 6.258 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.576 -1.910 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.121 -4.115 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.985 -4.252 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.602 -3.555 4.552 1.00 0.00 H new ATOM 135 N VAL A 12 5.367 -2.753 2.670 1.00 0.00 N ATOM 136 CA VAL A 12 4.144 -3.321 2.129 1.00 0.00 C ATOM 137 C VAL A 12 4.245 -4.844 2.042 1.00 0.00 C ATOM 138 O VAL A 12 5.247 -5.382 1.574 1.00 0.00 O ATOM 139 CB VAL A 12 3.821 -2.722 0.736 1.00 0.00 C ATOM 140 CG1 VAL A 12 4.978 -2.927 -0.237 1.00 0.00 C ATOM 141 CG2 VAL A 12 2.537 -3.311 0.173 1.00 0.00 C ATOM 0 H VAL A 12 6.177 -2.833 2.056 1.00 0.00 H new ATOM 0 HA VAL A 12 3.330 -3.066 2.808 1.00 0.00 H new ATOM 0 HB VAL A 12 3.676 -1.649 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.720 -2.496 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.871 -2.438 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.170 -3.994 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.334 -2.874 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.646 -4.391 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.710 -3.091 0.848 1.00 0.00 H new ATOM 151 N ILE A 13 3.225 -5.540 2.521 1.00 0.00 N ATOM 152 CA ILE A 13 3.216 -6.990 2.448 1.00 0.00 C ATOM 153 C ILE A 13 2.615 -7.422 1.109 1.00 0.00 C ATOM 154 O ILE A 13 1.519 -6.992 0.726 1.00 0.00 O ATOM 155 CB ILE A 13 2.477 -7.633 3.668 1.00 0.00 C ATOM 156 CG1 ILE A 13 3.072 -9.008 4.017 1.00 0.00 C ATOM 157 CG2 ILE A 13 0.978 -7.758 3.427 1.00 0.00 C ATOM 158 CD1 ILE A 13 2.766 -10.099 3.015 1.00 0.00 C ATOM 0 H ILE A 13 2.402 -5.128 2.960 1.00 0.00 H new ATOM 0 HA ILE A 13 4.242 -7.355 2.502 1.00 0.00 H new ATOM 0 HB ILE A 13 2.625 -6.961 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.154 -8.909 4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.697 -9.314 4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.506 -8.209 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.553 -6.769 3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.801 -8.385 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.225 -11.032 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.687 -10.232 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.166 -9.820 2.040 1.00 0.00 H new ATOM 170 N THR A 14 3.385 -8.219 0.381 1.00 0.00 N ATOM 171 CA THR A 14 3.004 -8.690 -0.939 1.00 0.00 C ATOM 172 C THR A 14 3.281 -10.189 -1.068 1.00 0.00 C ATOM 173 O THR A 14 3.624 -10.842 -0.084 1.00 0.00 O ATOM 174 CB THR A 14 3.751 -7.911 -2.039 1.00 0.00 C ATOM 175 OG1 THR A 14 5.106 -7.663 -1.635 1.00 0.00 O ATOM 176 CG2 THR A 14 3.058 -6.590 -2.339 1.00 0.00 C ATOM 0 H THR A 14 4.295 -8.557 0.693 1.00 0.00 H new ATOM 0 HA THR A 14 1.935 -8.517 -1.066 1.00 0.00 H new ATOM 0 HB THR A 14 3.747 -8.518 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.356 -8.291 -0.925 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.606 -6.061 -3.119 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.040 -6.782 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.031 -5.980 -1.436 1.00 0.00 H new ATOM 184 N ASP A 15 3.156 -10.733 -2.277 1.00 0.00 N ATOM 185 CA ASP A 15 3.260 -12.180 -2.473 1.00 0.00 C ATOM 186 C ASP A 15 4.712 -12.656 -2.379 1.00 0.00 C ATOM 187 O ASP A 15 4.970 -13.800 -2.004 1.00 0.00 O ATOM 188 CB ASP A 15 2.646 -12.604 -3.815 1.00 0.00 C ATOM 189 CG ASP A 15 3.576 -12.401 -4.997 1.00 0.00 C ATOM 190 OD1 ASP A 15 3.949 -11.246 -5.274 1.00 0.00 O ATOM 191 OD2 ASP A 15 3.935 -13.402 -5.651 1.00 0.00 O ATOM 0 H ASP A 15 2.984 -10.200 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 15 2.695 -12.655 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.365 -13.656 -3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.730 -12.037 -3.982 1.00 0.00 H new ATOM 196 N ASP A 16 5.658 -11.777 -2.702 1.00 0.00 N ATOM 197 CA ASP A 16 7.076 -12.125 -2.609 1.00 0.00 C ATOM 198 C ASP A 16 7.576 -11.929 -1.186 1.00 0.00 C ATOM 199 O ASP A 16 8.705 -12.290 -0.853 1.00 0.00 O ATOM 200 CB ASP A 16 7.927 -11.293 -3.581 1.00 0.00 C ATOM 201 CG ASP A 16 8.089 -9.841 -3.165 1.00 0.00 C ATOM 202 OD1 ASP A 16 7.232 -9.015 -3.540 1.00 0.00 O ATOM 203 OD2 ASP A 16 9.094 -9.515 -2.490 1.00 0.00 O ATOM 0 H ASP A 16 5.473 -10.828 -3.027 1.00 0.00 H new ATOM 0 HA ASP A 16 7.176 -13.175 -2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.913 -11.749 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.471 -11.329 -4.571 1.00 0.00 H new ATOM 208 N GLY A 17 6.717 -11.375 -0.343 1.00 0.00 N ATOM 209 CA GLY A 17 7.080 -11.117 1.030 1.00 0.00 C ATOM 210 C GLY A 17 6.724 -9.708 1.441 1.00 0.00 C ATOM 211 O GLY A 17 6.072 -8.979 0.687 1.00 0.00 O ATOM 0 H GLY A 17 5.767 -11.098 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.571 -11.827 1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.150 -11.276 1.160 1.00 0.00 H new ATOM 215 N LYS A 18 7.132 -9.322 2.637 1.00 0.00 N ATOM 216 CA LYS A 18 6.885 -7.976 3.121 1.00 0.00 C ATOM 217 C LYS A 18 8.048 -7.069 2.739 1.00 0.00 C ATOM 218 O LYS A 18 9.136 -7.151 3.313 1.00 0.00 O ATOM 219 CB LYS A 18 6.661 -7.987 4.632 1.00 0.00 C ATOM 220 CG LYS A 18 6.119 -6.680 5.162 1.00 0.00 C ATOM 221 CD LYS A 18 5.507 -6.846 6.539 1.00 0.00 C ATOM 222 CE LYS A 18 4.703 -5.620 6.921 1.00 0.00 C ATOM 223 NZ LYS A 18 3.846 -5.862 8.108 1.00 0.00 N ATOM 0 H LYS A 18 7.636 -9.922 3.291 1.00 0.00 H new ATOM 0 HA LYS A 18 5.980 -7.586 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.968 -8.790 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.604 -8.211 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.922 -5.944 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.368 -6.291 4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.865 -7.727 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.294 -7.014 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.381 -4.792 7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.079 -5.319 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.917 -5.417 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.722 -6.886 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.297 -5.453 8.951 1.00 0.00 H new ATOM 237 N LYS A 19 7.803 -6.211 1.763 1.00 0.00 N ATOM 238 CA LYS A 19 8.856 -5.429 1.140 1.00 0.00 C ATOM 239 C LYS A 19 8.836 -3.987 1.632 1.00 0.00 C ATOM 240 O LYS A 19 7.832 -3.286 1.501 1.00 0.00 O ATOM 241 CB LYS A 19 8.671 -5.454 -0.377 1.00 0.00 C ATOM 242 CG LYS A 19 9.959 -5.301 -1.165 1.00 0.00 C ATOM 243 CD LYS A 19 10.871 -6.501 -0.969 1.00 0.00 C ATOM 244 CE LYS A 19 11.528 -6.922 -2.275 1.00 0.00 C ATOM 245 NZ LYS A 19 10.522 -7.350 -3.287 1.00 0.00 N ATOM 0 H LYS A 19 6.873 -6.038 1.382 1.00 0.00 H new ATOM 0 HA LYS A 19 9.817 -5.867 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.196 -6.394 -0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.987 -4.654 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.729 -5.186 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.475 -4.394 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.640 -6.259 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.296 -7.334 -0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.113 -6.092 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.223 -7.740 -2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.982 -7.948 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.767 -7.890 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.114 -6.511 -3.747 1.00 0.00 H new ATOM 259 N ILE A 20 9.943 -3.554 2.213 1.00 0.00 N ATOM 260 CA ILE A 20 10.109 -2.160 2.592 1.00 0.00 C ATOM 261 C ILE A 20 10.783 -1.406 1.446 1.00 0.00 C ATOM 262 O ILE A 20 11.826 -1.821 0.937 1.00 0.00 O ATOM 263 CB ILE A 20 10.918 -2.015 3.924 1.00 0.00 C ATOM 264 CG1 ILE A 20 10.942 -0.555 4.437 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.336 -2.556 3.773 1.00 0.00 C ATOM 266 CD1 ILE A 20 11.885 0.378 3.697 1.00 0.00 C ATOM 0 H ILE A 20 10.742 -4.149 2.433 1.00 0.00 H new ATOM 0 HA ILE A 20 9.127 -1.726 2.778 1.00 0.00 H new ATOM 0 HB ILE A 20 10.400 -2.615 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.932 -0.149 4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.218 -0.562 5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 20 12.872 -2.441 4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.296 -3.612 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 20 12.855 -2.003 2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.827 1.375 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 20 12.906 0.005 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.600 0.425 2.646 1.00 0.00 H new ATOM 278 N LEU A 21 10.159 -0.323 1.012 1.00 0.00 N ATOM 279 CA LEU A 21 10.725 0.505 -0.037 1.00 0.00 C ATOM 280 C LEU A 21 10.402 1.970 0.223 1.00 0.00 C ATOM 281 O LEU A 21 9.518 2.285 1.024 1.00 0.00 O ATOM 282 CB LEU A 21 10.218 0.051 -1.417 1.00 0.00 C ATOM 283 CG LEU A 21 8.693 0.002 -1.594 1.00 0.00 C ATOM 284 CD1 LEU A 21 8.155 1.344 -2.066 1.00 0.00 C ATOM 285 CD2 LEU A 21 8.309 -1.100 -2.569 1.00 0.00 C ATOM 0 H LEU A 21 9.261 0.002 1.370 1.00 0.00 H new ATOM 0 HA LEU A 21 11.809 0.393 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.630 0.722 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.619 -0.942 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 21 8.245 -0.218 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.073 1.281 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.397 2.112 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.609 1.602 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.225 -1.123 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.773 -0.908 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.653 -2.061 -2.186 1.00 0.00 H new ATOM 297 N GLU A 22 11.127 2.861 -0.430 1.00 0.00 N ATOM 298 CA GLU A 22 10.906 4.284 -0.256 1.00 0.00 C ATOM 299 C GLU A 22 10.341 4.905 -1.522 1.00 0.00 C ATOM 300 O GLU A 22 10.384 4.308 -2.598 1.00 0.00 O ATOM 301 CB GLU A 22 12.206 4.984 0.175 1.00 0.00 C ATOM 302 CG GLU A 22 13.407 4.712 -0.723 1.00 0.00 C ATOM 303 CD GLU A 22 13.549 5.711 -1.857 1.00 0.00 C ATOM 304 OE1 GLU A 22 13.971 6.856 -1.593 1.00 0.00 O ATOM 305 OE2 GLU A 22 13.264 5.350 -3.016 1.00 0.00 O ATOM 0 H GLU A 22 11.873 2.624 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 22 10.170 4.422 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.030 6.059 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.451 4.671 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.314 4.728 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.319 3.709 -1.141 1.00 0.00 H new ATOM 312 N SER A 23 9.781 6.088 -1.376 1.00 0.00 N ATOM 313 CA SER A 23 9.260 6.835 -2.499 1.00 0.00 C ATOM 314 C SER A 23 9.797 8.257 -2.447 1.00 0.00 C ATOM 315 O SER A 23 9.912 8.835 -1.364 1.00 0.00 O ATOM 316 CB SER A 23 7.727 6.830 -2.471 1.00 0.00 C ATOM 317 OG SER A 23 7.183 7.614 -3.521 1.00 0.00 O ATOM 0 H SER A 23 9.675 6.557 -0.476 1.00 0.00 H new ATOM 0 HA SER A 23 9.582 6.369 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.364 5.806 -2.556 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.379 7.213 -1.512 1.00 0.00 H new ATOM 0 HG SER A 23 6.757 8.413 -3.146 1.00 0.00 H new ATOM 323 N GLY A 24 10.137 8.803 -3.612 1.00 0.00 N ATOM 324 CA GLY A 24 10.679 10.150 -3.686 1.00 0.00 C ATOM 325 C GLY A 24 9.791 11.171 -3.005 1.00 0.00 C ATOM 326 O GLY A 24 10.277 12.087 -2.343 1.00 0.00 O ATOM 0 H GLY A 24 10.046 8.333 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.666 10.167 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.811 10.428 -4.732 1.00 0.00 H new ATOM 330 N ALA A 25 8.490 10.999 -3.159 1.00 0.00 N ATOM 331 CA ALA A 25 7.516 11.859 -2.513 1.00 0.00 C ATOM 332 C ALA A 25 6.370 11.018 -1.969 1.00 0.00 C ATOM 333 O ALA A 25 6.106 9.931 -2.485 1.00 0.00 O ATOM 334 CB ALA A 25 6.997 12.901 -3.495 1.00 0.00 C ATOM 0 H ALA A 25 8.081 10.262 -3.733 1.00 0.00 H new ATOM 0 HA ALA A 25 7.994 12.381 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.267 13.539 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.828 13.510 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.524 12.401 -4.340 1.00 0.00 H new ATOM 340 N PRO A 26 5.702 11.482 -0.900 1.00 0.00 N ATOM 341 CA PRO A 26 4.515 10.809 -0.363 1.00 0.00 C ATOM 342 C PRO A 26 3.415 10.712 -1.412 1.00 0.00 C ATOM 343 O PRO A 26 3.063 11.708 -2.046 1.00 0.00 O ATOM 344 CB PRO A 26 4.078 11.712 0.797 1.00 0.00 C ATOM 345 CG PRO A 26 5.295 12.489 1.160 1.00 0.00 C ATOM 346 CD PRO A 26 6.049 12.687 -0.125 1.00 0.00 C ATOM 0 HA PRO A 26 4.721 9.785 -0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.263 12.372 0.498 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.719 11.124 1.641 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.029 13.446 1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.900 11.951 1.890 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.742 13.599 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.123 12.763 0.044 1.00 0.00 H new ATOM 354 N ARG A 27 2.893 9.511 -1.613 1.00 0.00 N ATOM 355 CA ARG A 27 1.897 9.280 -2.650 1.00 0.00 C ATOM 356 C ARG A 27 0.693 8.552 -2.077 1.00 0.00 C ATOM 357 O ARG A 27 0.716 8.093 -0.936 1.00 0.00 O ATOM 358 CB ARG A 27 2.496 8.460 -3.802 1.00 0.00 C ATOM 359 CG ARG A 27 3.751 9.070 -4.406 1.00 0.00 C ATOM 360 CD ARG A 27 3.482 10.435 -5.018 1.00 0.00 C ATOM 361 NE ARG A 27 2.773 10.342 -6.291 1.00 0.00 N ATOM 362 CZ ARG A 27 2.609 11.366 -7.125 1.00 0.00 C ATOM 363 NH1 ARG A 27 3.016 12.581 -6.777 1.00 0.00 N ATOM 364 NH2 ARG A 27 2.009 11.178 -8.291 1.00 0.00 N ATOM 0 H ARG A 27 3.142 8.682 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 27 1.578 10.249 -3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.729 7.459 -3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.745 8.349 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.516 9.163 -3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.147 8.402 -5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.896 11.034 -4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.428 10.956 -5.169 1.00 0.00 H new ATOM 0 HE ARG A 27 2.380 9.439 -6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.455 12.731 -5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.889 13.364 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.674 10.250 -8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.882 11.962 -8.932 1.00 0.00 H new ATOM 378 N ARG A 28 -0.352 8.457 -2.875 1.00 0.00 N ATOM 379 CA ARG A 28 -1.560 7.751 -2.491 1.00 0.00 C ATOM 380 C ARG A 28 -1.348 6.241 -2.614 1.00 0.00 C ATOM 381 O ARG A 28 -0.480 5.795 -3.366 1.00 0.00 O ATOM 382 CB ARG A 28 -2.700 8.221 -3.396 1.00 0.00 C ATOM 383 CG ARG A 28 -4.062 7.641 -3.079 1.00 0.00 C ATOM 384 CD ARG A 28 -5.109 8.215 -4.018 1.00 0.00 C ATOM 385 NE ARG A 28 -5.188 9.668 -3.903 1.00 0.00 N ATOM 386 CZ ARG A 28 -5.086 10.504 -4.935 1.00 0.00 C ATOM 387 NH1 ARG A 28 -4.899 10.033 -6.163 1.00 0.00 N ATOM 388 NH2 ARG A 28 -5.153 11.813 -4.734 1.00 0.00 N ATOM 0 H ARG A 28 -0.388 8.867 -3.808 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.810 7.965 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.764 9.308 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.449 7.972 -4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.034 6.556 -3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.329 7.864 -2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.867 7.942 -5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.081 7.777 -3.792 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.330 10.068 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.833 9.027 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.822 10.677 -6.950 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.282 12.178 -3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.075 12.455 -5.523 1.00 0.00 H new ATOM 402 N ILE A 29 -2.124 5.463 -1.863 1.00 0.00 N ATOM 403 CA ILE A 29 -2.076 4.003 -1.959 1.00 0.00 C ATOM 404 C ILE A 29 -2.264 3.576 -3.411 1.00 0.00 C ATOM 405 O ILE A 29 -1.515 2.755 -3.948 1.00 0.00 O ATOM 406 CB ILE A 29 -3.183 3.338 -1.102 1.00 0.00 C ATOM 407 CG1 ILE A 29 -3.060 3.734 0.374 1.00 0.00 C ATOM 408 CG2 ILE A 29 -3.138 1.822 -1.248 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.807 3.219 1.048 1.00 0.00 C ATOM 0 H ILE A 29 -2.794 5.818 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.104 3.681 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.145 3.697 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.081 4.821 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.930 3.360 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.923 1.374 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.292 1.552 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.167 1.453 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.795 3.542 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.792 2.130 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.930 3.614 0.536 1.00 0.00 H new ATOM 421 N LYS A 30 -3.261 4.176 -4.041 1.00 0.00 N ATOM 422 CA LYS A 30 -3.608 3.882 -5.421 1.00 0.00 C ATOM 423 C LYS A 30 -2.571 4.452 -6.392 1.00 0.00 C ATOM 424 O LYS A 30 -2.470 4.002 -7.529 1.00 0.00 O ATOM 425 CB LYS A 30 -4.992 4.453 -5.709 1.00 0.00 C ATOM 426 CG LYS A 30 -5.522 4.178 -7.106 1.00 0.00 C ATOM 427 CD LYS A 30 -6.959 4.652 -7.229 1.00 0.00 C ATOM 428 CE LYS A 30 -7.093 6.110 -6.816 1.00 0.00 C ATOM 429 NZ LYS A 30 -8.497 6.473 -6.493 1.00 0.00 N ATOM 0 H LYS A 30 -3.854 4.883 -3.607 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.618 2.802 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.695 4.045 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.963 5.531 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.901 4.685 -7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.465 3.111 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.299 4.530 -8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.604 4.033 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.461 6.300 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.730 6.749 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.530 7.449 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.081 6.398 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.864 5.826 -5.766 1.00 0.00 H new ATOM 443 N ASP A 31 -1.796 5.437 -5.947 1.00 0.00 N ATOM 444 CA ASP A 31 -0.727 5.987 -6.780 1.00 0.00 C ATOM 445 C ASP A 31 0.345 4.940 -6.995 1.00 0.00 C ATOM 446 O ASP A 31 0.711 4.629 -8.127 1.00 0.00 O ATOM 447 CB ASP A 31 -0.078 7.222 -6.148 1.00 0.00 C ATOM 448 CG ASP A 31 -0.900 8.484 -6.286 1.00 0.00 C ATOM 449 OD1 ASP A 31 -1.713 8.576 -7.230 1.00 0.00 O ATOM 450 OD2 ASP A 31 -0.716 9.399 -5.457 1.00 0.00 O ATOM 0 H ASP A 31 -1.885 5.867 -5.026 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.179 6.282 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.096 7.027 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.897 7.383 -6.607 1.00 0.00 H new ATOM 455 N VAL A 32 0.832 4.392 -5.890 1.00 0.00 N ATOM 456 CA VAL A 32 1.902 3.407 -5.926 1.00 0.00 C ATOM 457 C VAL A 32 1.421 2.103 -6.553 1.00 0.00 C ATOM 458 O VAL A 32 2.051 1.576 -7.471 1.00 0.00 O ATOM 459 CB VAL A 32 2.448 3.125 -4.507 1.00 0.00 C ATOM 460 CG1 VAL A 32 3.599 2.127 -4.549 1.00 0.00 C ATOM 461 CG2 VAL A 32 2.882 4.421 -3.838 1.00 0.00 C ATOM 0 H VAL A 32 0.500 4.616 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 32 2.704 3.821 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 32 1.646 2.682 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.963 1.948 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.251 1.189 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.408 2.530 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.264 4.205 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.665 4.893 -4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.029 5.095 -3.762 1.00 0.00 H new ATOM 471 N LEU A 33 0.290 1.599 -6.074 1.00 0.00 N ATOM 472 CA LEU A 33 -0.229 0.329 -6.554 1.00 0.00 C ATOM 473 C LEU A 33 -0.742 0.468 -7.988 1.00 0.00 C ATOM 474 O LEU A 33 -0.727 -0.493 -8.757 1.00 0.00 O ATOM 475 CB LEU A 33 -1.334 -0.183 -5.628 1.00 0.00 C ATOM 476 CG LEU A 33 -1.638 -1.678 -5.752 1.00 0.00 C ATOM 477 CD1 LEU A 33 -0.385 -2.496 -5.482 1.00 0.00 C ATOM 478 CD2 LEU A 33 -2.743 -2.081 -4.789 1.00 0.00 C ATOM 0 H LEU A 33 -0.281 2.049 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 33 0.582 -0.400 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.052 0.031 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.247 0.377 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.975 -1.876 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.616 -3.557 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.386 -2.229 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.025 -2.289 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.945 -3.147 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.430 -1.868 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.648 -1.517 -5.017 1.00 0.00 H new ATOM 490 N GLY A 34 -1.192 1.671 -8.342 1.00 0.00 N ATOM 491 CA GLY A 34 -1.595 1.945 -9.709 1.00 0.00 C ATOM 492 C GLY A 34 -0.429 1.870 -10.675 1.00 0.00 C ATOM 493 O GLY A 34 -0.569 1.358 -11.785 1.00 0.00 O ATOM 0 H GLY A 34 -1.284 2.461 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.361 1.231 -10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.045 2.936 -9.762 1.00 0.00 H new ATOM 497 N GLU A 35 0.728 2.371 -10.251 1.00 0.00 N ATOM 498 CA GLU A 35 1.941 2.302 -11.062 1.00 0.00 C ATOM 499 C GLU A 35 2.343 0.852 -11.306 1.00 0.00 C ATOM 500 O GLU A 35 2.771 0.490 -12.402 1.00 0.00 O ATOM 501 CB GLU A 35 3.092 3.049 -10.383 1.00 0.00 C ATOM 502 CG GLU A 35 2.934 4.559 -10.393 1.00 0.00 C ATOM 503 CD GLU A 35 3.009 5.144 -11.788 1.00 0.00 C ATOM 504 OE1 GLU A 35 1.974 5.177 -12.482 1.00 0.00 O ATOM 505 OE2 GLU A 35 4.106 5.583 -12.193 1.00 0.00 O ATOM 0 H GLU A 35 0.852 2.830 -9.349 1.00 0.00 H new ATOM 0 HA GLU A 35 1.730 2.777 -12.020 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.175 2.709 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.026 2.788 -10.881 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.977 4.823 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.712 5.006 -9.773 1.00 0.00 H new ATOM 512 N LEU A 36 2.184 0.023 -10.282 1.00 0.00 N ATOM 513 CA LEU A 36 2.520 -1.395 -10.380 1.00 0.00 C ATOM 514 C LEU A 36 1.458 -2.157 -11.174 1.00 0.00 C ATOM 515 O LEU A 36 1.694 -3.286 -11.607 1.00 0.00 O ATOM 516 CB LEU A 36 2.658 -2.004 -8.981 1.00 0.00 C ATOM 517 CG LEU A 36 3.737 -1.373 -8.098 1.00 0.00 C ATOM 518 CD1 LEU A 36 3.750 -2.019 -6.724 1.00 0.00 C ATOM 519 CD2 LEU A 36 5.103 -1.494 -8.755 1.00 0.00 C ATOM 0 H LEU A 36 1.824 0.307 -9.371 1.00 0.00 H new ATOM 0 HA LEU A 36 3.471 -1.481 -10.906 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.699 -1.921 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.873 -3.068 -9.085 1.00 0.00 H new ATOM 0 HG LEU A 36 3.504 -0.315 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.524 -1.556 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.779 -1.881 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.956 -3.085 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.857 -1.040 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.342 -2.547 -8.907 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.090 -0.982 -9.717 1.00 0.00 H new ATOM 531 N GLU A 37 0.301 -1.518 -11.360 1.00 0.00 N ATOM 532 CA GLU A 37 -0.842 -2.112 -12.047 1.00 0.00 C ATOM 533 C GLU A 37 -1.301 -3.386 -11.341 1.00 0.00 C ATOM 534 O GLU A 37 -1.017 -4.503 -11.778 1.00 0.00 O ATOM 535 CB GLU A 37 -0.533 -2.388 -13.525 1.00 0.00 C ATOM 536 CG GLU A 37 -1.752 -2.830 -14.325 1.00 0.00 C ATOM 537 CD GLU A 37 -1.443 -3.090 -15.784 1.00 0.00 C ATOM 538 OE1 GLU A 37 -1.364 -2.115 -16.564 1.00 0.00 O ATOM 539 OE2 GLU A 37 -1.284 -4.265 -16.164 1.00 0.00 O ATOM 0 H GLU A 37 0.132 -0.566 -11.034 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.657 -1.389 -12.011 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.119 -1.487 -13.976 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.235 -3.159 -13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.162 -3.736 -13.880 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.523 -2.063 -14.254 1.00 0.00 H new ATOM 546 N ILE A 38 -1.978 -3.202 -10.218 1.00 0.00 N ATOM 547 CA ILE A 38 -2.546 -4.308 -9.463 1.00 0.00 C ATOM 548 C ILE A 38 -3.977 -3.962 -9.067 1.00 0.00 C ATOM 549 O ILE A 38 -4.230 -2.863 -8.575 1.00 0.00 O ATOM 550 CB ILE A 38 -1.708 -4.624 -8.196 1.00 0.00 C ATOM 551 CG1 ILE A 38 -0.296 -5.070 -8.594 1.00 0.00 C ATOM 552 CG2 ILE A 38 -2.387 -5.693 -7.346 1.00 0.00 C ATOM 553 CD1 ILE A 38 0.622 -5.328 -7.419 1.00 0.00 C ATOM 0 H ILE A 38 -2.149 -2.285 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.537 -5.196 -10.095 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.634 -3.716 -7.598 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.368 -5.979 -9.192 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.150 -4.305 -9.229 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.780 -5.897 -6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.371 -5.341 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.496 -6.607 -7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.601 -5.639 -7.784 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.727 -4.416 -6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.201 -6.115 -6.794 1.00 0.00 H new ATOM 565 N PRO A 39 -4.937 -4.871 -9.318 1.00 0.00 N ATOM 566 CA PRO A 39 -6.351 -4.646 -8.989 1.00 0.00 C ATOM 567 C PRO A 39 -6.581 -4.378 -7.500 1.00 0.00 C ATOM 568 O PRO A 39 -6.794 -5.300 -6.709 1.00 0.00 O ATOM 569 CB PRO A 39 -7.044 -5.944 -9.420 1.00 0.00 C ATOM 570 CG PRO A 39 -5.950 -6.949 -9.546 1.00 0.00 C ATOM 571 CD PRO A 39 -4.729 -6.180 -9.956 1.00 0.00 C ATOM 0 HA PRO A 39 -6.738 -3.760 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.784 -6.258 -8.684 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.570 -5.814 -10.366 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.786 -7.468 -8.602 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.201 -7.708 -10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.814 -6.659 -9.607 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.651 -6.094 -11.040 1.00 0.00 H new ATOM 579 N ILE A 40 -6.534 -3.105 -7.133 1.00 0.00 N ATOM 580 CA ILE A 40 -6.709 -2.680 -5.747 1.00 0.00 C ATOM 581 C ILE A 40 -8.183 -2.746 -5.344 1.00 0.00 C ATOM 582 O ILE A 40 -8.536 -2.630 -4.171 1.00 0.00 O ATOM 583 CB ILE A 40 -6.164 -1.243 -5.556 1.00 0.00 C ATOM 584 CG1 ILE A 40 -6.160 -0.846 -4.077 1.00 0.00 C ATOM 585 CG2 ILE A 40 -6.976 -0.248 -6.379 1.00 0.00 C ATOM 586 CD1 ILE A 40 -5.494 0.485 -3.808 1.00 0.00 C ATOM 0 H ILE A 40 -6.374 -2.337 -7.785 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.147 -3.358 -5.105 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.133 -1.224 -5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.188 -0.807 -3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.650 -1.620 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.578 0.756 -6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.913 -0.512 -7.435 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.018 -0.276 -6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.529 0.700 -2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.455 0.445 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.017 1.270 -4.354 1.00 0.00 H new ATOM 598 N GLU A 41 -9.033 -2.964 -6.335 1.00 0.00 N ATOM 599 CA GLU A 41 -10.473 -2.993 -6.132 1.00 0.00 C ATOM 600 C GLU A 41 -10.925 -4.291 -5.462 1.00 0.00 C ATOM 601 O GLU A 41 -11.744 -4.270 -4.544 1.00 0.00 O ATOM 602 CB GLU A 41 -11.176 -2.839 -7.481 1.00 0.00 C ATOM 603 CG GLU A 41 -12.694 -2.851 -7.400 1.00 0.00 C ATOM 604 CD GLU A 41 -13.336 -2.857 -8.768 1.00 0.00 C ATOM 605 OE1 GLU A 41 -13.520 -1.770 -9.344 1.00 0.00 O ATOM 606 OE2 GLU A 41 -13.649 -3.953 -9.277 1.00 0.00 O ATOM 0 H GLU A 41 -8.745 -3.125 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.739 -2.168 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.856 -1.904 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.853 -3.645 -8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.020 -3.729 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.034 -1.977 -6.844 1.00 0.00 H new ATOM 613 N THR A 42 -10.376 -5.415 -5.909 1.00 0.00 N ATOM 614 CA THR A 42 -10.884 -6.716 -5.494 1.00 0.00 C ATOM 615 C THR A 42 -10.108 -7.295 -4.310 1.00 0.00 C ATOM 616 O THR A 42 -10.472 -8.345 -3.784 1.00 0.00 O ATOM 617 CB THR A 42 -10.866 -7.722 -6.670 1.00 0.00 C ATOM 618 OG1 THR A 42 -11.454 -8.967 -6.271 1.00 0.00 O ATOM 619 CG2 THR A 42 -9.447 -7.965 -7.170 1.00 0.00 C ATOM 0 H THR A 42 -9.586 -5.452 -6.553 1.00 0.00 H new ATOM 0 HA THR A 42 -11.913 -6.555 -5.173 1.00 0.00 H new ATOM 0 HB THR A 42 -11.449 -7.289 -7.483 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.249 -9.138 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.469 -8.676 -7.996 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.016 -7.024 -7.512 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.840 -8.369 -6.360 1.00 0.00 H new ATOM 627 N VAL A 43 -9.043 -6.629 -3.890 1.00 0.00 N ATOM 628 CA VAL A 43 -8.259 -7.123 -2.765 1.00 0.00 C ATOM 629 C VAL A 43 -8.329 -6.157 -1.587 1.00 0.00 C ATOM 630 O VAL A 43 -8.800 -5.027 -1.726 1.00 0.00 O ATOM 631 CB VAL A 43 -6.786 -7.400 -3.145 1.00 0.00 C ATOM 632 CG1 VAL A 43 -6.708 -8.357 -4.320 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.036 -6.121 -3.457 1.00 0.00 C ATOM 0 H VAL A 43 -8.705 -5.759 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.702 -8.075 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.308 -7.862 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.663 -8.539 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.187 -9.299 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.218 -7.921 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.005 -6.359 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.515 -5.613 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.047 -5.470 -2.583 1.00 0.00 H new ATOM 643 N VAL A 44 -7.866 -6.608 -0.430 1.00 0.00 N ATOM 644 CA VAL A 44 -7.993 -5.837 0.794 1.00 0.00 C ATOM 645 C VAL A 44 -6.722 -5.062 1.097 1.00 0.00 C ATOM 646 O VAL A 44 -5.637 -5.636 1.196 1.00 0.00 O ATOM 647 CB VAL A 44 -8.338 -6.747 1.994 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.531 -5.925 3.263 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.581 -7.575 1.697 1.00 0.00 C ATOM 0 H VAL A 44 -7.398 -7.507 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.807 -5.129 0.639 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.501 -7.427 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.773 -6.589 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.613 -5.382 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.345 -5.215 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.809 -8.210 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.423 -6.911 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.402 -8.198 0.821 1.00 0.00 H new ATOM 659 N VAL A 45 -6.870 -3.752 1.232 1.00 0.00 N ATOM 660 CA VAL A 45 -5.759 -2.892 1.598 1.00 0.00 C ATOM 661 C VAL A 45 -5.875 -2.488 3.064 1.00 0.00 C ATOM 662 O VAL A 45 -6.909 -1.982 3.506 1.00 0.00 O ATOM 663 CB VAL A 45 -5.710 -1.626 0.715 1.00 0.00 C ATOM 664 CG1 VAL A 45 -4.523 -0.754 1.089 1.00 0.00 C ATOM 665 CG2 VAL A 45 -5.655 -2.003 -0.757 1.00 0.00 C ATOM 0 H VAL A 45 -7.754 -3.262 1.092 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.837 -3.453 1.442 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.621 -1.053 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.508 0.132 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.608 -0.451 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.600 -1.316 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.621 -1.098 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.763 -2.600 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.541 -2.581 -1.018 1.00 0.00 H new ATOM 675 N LYS A 46 -4.815 -2.723 3.811 1.00 0.00 N ATOM 676 CA LYS A 46 -4.779 -2.389 5.221 1.00 0.00 C ATOM 677 C LYS A 46 -3.669 -1.390 5.505 1.00 0.00 C ATOM 678 O LYS A 46 -2.488 -1.699 5.358 1.00 0.00 O ATOM 679 CB LYS A 46 -4.570 -3.656 6.046 1.00 0.00 C ATOM 680 CG LYS A 46 -5.838 -4.437 6.345 1.00 0.00 C ATOM 681 CD LYS A 46 -5.509 -5.875 6.710 1.00 0.00 C ATOM 682 CE LYS A 46 -6.626 -6.526 7.503 1.00 0.00 C ATOM 683 NZ LYS A 46 -6.640 -6.053 8.911 1.00 0.00 N ATOM 0 H LYS A 46 -3.957 -3.149 3.460 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.730 -1.934 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.875 -4.307 5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.096 -3.385 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.378 -3.963 7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.496 -4.418 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.327 -6.448 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.588 -5.900 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.584 -6.304 7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.505 -7.609 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.621 -6.011 9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.095 -6.711 9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.214 -5.106 8.963 1.00 0.00 H new ATOM 697 N LYS A 47 -4.052 -0.195 5.911 1.00 0.00 N ATOM 698 CA LYS A 47 -3.086 0.829 6.257 1.00 0.00 C ATOM 699 C LYS A 47 -2.808 0.792 7.752 1.00 0.00 C ATOM 700 O LYS A 47 -3.679 1.102 8.570 1.00 0.00 O ATOM 701 CB LYS A 47 -3.583 2.212 5.836 1.00 0.00 C ATOM 702 CG LYS A 47 -2.639 3.340 6.206 1.00 0.00 C ATOM 703 CD LYS A 47 -3.144 4.674 5.688 1.00 0.00 C ATOM 704 CE LYS A 47 -2.289 5.818 6.203 1.00 0.00 C ATOM 705 NZ LYS A 47 -2.713 7.133 5.656 1.00 0.00 N ATOM 0 H LYS A 47 -5.026 0.091 6.009 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.159 0.630 5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.738 2.219 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.553 2.396 6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.531 3.386 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.650 3.139 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.136 4.671 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.179 4.820 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.342 5.846 7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.247 5.637 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.564 7.872 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.151 7.354 4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.721 7.095 5.403 1.00 0.00 H new ATOM 719 N ASN A 48 -1.601 0.360 8.090 1.00 0.00 N ATOM 720 CA ASN A 48 -1.143 0.245 9.472 1.00 0.00 C ATOM 721 C ASN A 48 -1.962 -0.805 10.225 1.00 0.00 C ATOM 722 O ASN A 48 -1.951 -0.859 11.454 1.00 0.00 O ATOM 723 CB ASN A 48 -1.215 1.604 10.182 1.00 0.00 C ATOM 724 CG ASN A 48 -0.086 1.796 11.176 1.00 0.00 C ATOM 725 OD1 ASN A 48 -0.201 1.437 12.348 1.00 0.00 O ATOM 726 ND2 ASN A 48 1.012 2.379 10.719 1.00 0.00 N ATOM 0 H ASN A 48 -0.901 0.075 7.405 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.102 -0.078 9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.182 2.401 9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.170 1.690 10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.800 2.544 11.345 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.070 2.662 9.741 1.00 0.00 H new ATOM 733 N GLY A 49 -2.660 -1.651 9.471 1.00 0.00 N ATOM 734 CA GLY A 49 -3.464 -2.699 10.069 1.00 0.00 C ATOM 735 C GLY A 49 -4.949 -2.503 9.827 1.00 0.00 C ATOM 736 O GLY A 49 -5.707 -3.472 9.748 1.00 0.00 O ATOM 0 H GLY A 49 -2.682 -1.627 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.157 -3.663 9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.275 -2.730 11.142 1.00 0.00 H new ATOM 740 N GLN A 50 -5.365 -1.251 9.689 1.00 0.00 N ATOM 741 CA GLN A 50 -6.776 -0.926 9.525 1.00 0.00 C ATOM 742 C GLN A 50 -7.170 -0.954 8.052 1.00 0.00 C ATOM 743 O GLN A 50 -6.400 -0.530 7.192 1.00 0.00 O ATOM 744 CB GLN A 50 -7.077 0.453 10.120 1.00 0.00 C ATOM 745 CG GLN A 50 -6.817 0.544 11.617 1.00 0.00 C ATOM 746 CD GLN A 50 -7.703 -0.389 12.417 1.00 0.00 C ATOM 747 OE1 GLN A 50 -7.349 -1.540 12.672 1.00 0.00 O ATOM 748 NE2 GLN A 50 -8.868 0.096 12.811 1.00 0.00 N ATOM 0 H GLN A 50 -4.744 -0.442 9.687 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.361 -1.677 10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.470 1.200 9.609 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.120 0.703 9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.772 0.307 11.816 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.980 1.569 11.949 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.125 1.056 12.580 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.509 -0.489 13.346 1.00 0.00 H new ATOM 757 N ILE A 51 -8.360 -1.464 7.764 1.00 0.00 N ATOM 758 CA ILE A 51 -8.866 -1.497 6.396 1.00 0.00 C ATOM 759 C ILE A 51 -9.194 -0.081 5.930 1.00 0.00 C ATOM 760 O ILE A 51 -10.037 0.597 6.519 1.00 0.00 O ATOM 761 CB ILE A 51 -10.130 -2.389 6.251 1.00 0.00 C ATOM 762 CG1 ILE A 51 -9.800 -3.871 6.485 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.763 -2.209 4.875 1.00 0.00 C ATOM 764 CD1 ILE A 51 -9.621 -4.246 7.941 1.00 0.00 C ATOM 0 H ILE A 51 -8.994 -1.861 8.458 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.081 -1.930 5.775 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.842 -2.072 7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -10.598 -4.480 6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.887 -4.118 5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.646 -2.843 4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.051 -1.166 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.045 -2.489 4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.391 -5.309 8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.803 -3.666 8.368 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.540 -4.034 8.487 1.00 0.00 H new ATOM 776 N VAL A 52 -8.517 0.365 4.883 1.00 0.00 N ATOM 777 CA VAL A 52 -8.714 1.710 4.370 1.00 0.00 C ATOM 778 C VAL A 52 -9.129 1.680 2.909 1.00 0.00 C ATOM 779 O VAL A 52 -9.098 0.631 2.259 1.00 0.00 O ATOM 780 CB VAL A 52 -7.442 2.574 4.509 1.00 0.00 C ATOM 781 CG1 VAL A 52 -7.069 2.750 5.974 1.00 0.00 C ATOM 782 CG2 VAL A 52 -6.290 1.965 3.724 1.00 0.00 C ATOM 0 H VAL A 52 -7.827 -0.186 4.373 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.507 2.156 4.970 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.650 3.560 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.170 3.362 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.887 3.240 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.882 1.774 6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.404 2.589 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.080 0.965 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.560 1.904 2.670 1.00 0.00 H new ATOM 792 N ILE A 53 -9.533 2.832 2.404 1.00 0.00 N ATOM 793 CA ILE A 53 -9.870 2.972 1.000 1.00 0.00 C ATOM 794 C ILE A 53 -8.632 3.318 0.174 1.00 0.00 C ATOM 795 O ILE A 53 -7.595 3.704 0.717 1.00 0.00 O ATOM 796 CB ILE A 53 -10.990 4.019 0.765 1.00 0.00 C ATOM 797 CG1 ILE A 53 -10.882 5.216 1.727 1.00 0.00 C ATOM 798 CG2 ILE A 53 -12.355 3.362 0.904 1.00 0.00 C ATOM 799 CD1 ILE A 53 -9.677 6.103 1.500 1.00 0.00 C ATOM 0 H ILE A 53 -9.636 3.688 2.949 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.254 2.007 0.669 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.867 4.403 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.784 5.821 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.853 4.841 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -13.135 4.105 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -12.451 2.564 0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -12.458 2.946 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.684 6.919 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.766 5.517 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -9.712 6.513 0.491 1.00 0.00 H new ATOM 811 N ASP A 54 -8.757 3.187 -1.140 1.00 0.00 N ATOM 812 CA ASP A 54 -7.633 3.377 -2.055 1.00 0.00 C ATOM 813 C ASP A 54 -7.215 4.841 -2.154 1.00 0.00 C ATOM 814 O ASP A 54 -6.160 5.157 -2.707 1.00 0.00 O ATOM 815 CB ASP A 54 -7.995 2.851 -3.447 1.00 0.00 C ATOM 816 CG ASP A 54 -9.222 3.524 -4.030 1.00 0.00 C ATOM 817 OD1 ASP A 54 -10.346 3.043 -3.771 1.00 0.00 O ATOM 818 OD2 ASP A 54 -9.074 4.528 -4.752 1.00 0.00 O ATOM 0 H ASP A 54 -9.634 2.947 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.789 2.816 -1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.150 3.003 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.168 1.776 -3.390 1.00 0.00 H new ATOM 823 N GLU A 55 -8.030 5.725 -1.601 1.00 0.00 N ATOM 824 CA GLU A 55 -7.787 7.155 -1.710 1.00 0.00 C ATOM 825 C GLU A 55 -6.798 7.637 -0.647 1.00 0.00 C ATOM 826 O GLU A 55 -6.333 8.775 -0.695 1.00 0.00 O ATOM 827 CB GLU A 55 -9.102 7.922 -1.585 1.00 0.00 C ATOM 828 CG GLU A 55 -9.222 9.079 -2.563 1.00 0.00 C ATOM 829 CD GLU A 55 -9.346 8.614 -4.002 1.00 0.00 C ATOM 830 OE1 GLU A 55 -8.310 8.451 -4.678 1.00 0.00 O ATOM 831 OE2 GLU A 55 -10.488 8.409 -4.467 1.00 0.00 O ATOM 0 H GLU A 55 -8.866 5.478 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.348 7.346 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.932 7.234 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.196 8.304 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.093 9.681 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.348 9.724 -2.467 1.00 0.00 H new ATOM 838 N GLU A 56 -6.475 6.766 0.307 1.00 0.00 N ATOM 839 CA GLU A 56 -5.569 7.120 1.398 1.00 0.00 C ATOM 840 C GLU A 56 -4.146 7.369 0.904 1.00 0.00 C ATOM 841 O GLU A 56 -3.706 6.780 -0.080 1.00 0.00 O ATOM 842 CB GLU A 56 -5.565 6.025 2.462 1.00 0.00 C ATOM 843 CG GLU A 56 -6.564 6.267 3.578 1.00 0.00 C ATOM 844 CD GLU A 56 -6.241 7.516 4.369 1.00 0.00 C ATOM 845 OE1 GLU A 56 -5.300 7.475 5.188 1.00 0.00 O ATOM 846 OE2 GLU A 56 -6.917 8.547 4.171 1.00 0.00 O ATOM 0 H GLU A 56 -6.827 5.810 0.347 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.936 8.049 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.785 5.068 1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.565 5.947 2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.565 6.355 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.575 5.407 4.247 1.00 0.00 H new ATOM 853 N GLU A 57 -3.433 8.247 1.598 1.00 0.00 N ATOM 854 CA GLU A 57 -2.065 8.586 1.231 1.00 0.00 C ATOM 855 C GLU A 57 -1.074 7.905 2.169 1.00 0.00 C ATOM 856 O GLU A 57 -1.402 7.606 3.319 1.00 0.00 O ATOM 857 CB GLU A 57 -1.877 10.103 1.268 1.00 0.00 C ATOM 858 CG GLU A 57 -2.917 10.856 0.450 1.00 0.00 C ATOM 859 CD GLU A 57 -2.787 12.360 0.570 1.00 0.00 C ATOM 860 OE1 GLU A 57 -2.793 12.873 1.708 1.00 0.00 O ATOM 861 OE2 GLU A 57 -2.704 13.039 -0.476 1.00 0.00 O ATOM 0 H GLU A 57 -3.781 8.739 2.421 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.876 8.231 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.922 10.443 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.883 10.349 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.823 10.571 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.913 10.556 0.774 1.00 0.00 H new ATOM 868 N ILE A 58 0.126 7.649 1.672 1.00 0.00 N ATOM 869 CA ILE A 58 1.153 6.974 2.457 1.00 0.00 C ATOM 870 C ILE A 58 2.110 7.992 3.076 1.00 0.00 C ATOM 871 O ILE A 58 2.445 8.998 2.448 1.00 0.00 O ATOM 872 CB ILE A 58 1.965 5.990 1.589 1.00 0.00 C ATOM 873 CG1 ILE A 58 1.033 5.122 0.744 1.00 0.00 C ATOM 874 CG2 ILE A 58 2.846 5.114 2.470 1.00 0.00 C ATOM 875 CD1 ILE A 58 1.757 4.217 -0.229 1.00 0.00 C ATOM 0 H ILE A 58 0.415 7.898 0.726 1.00 0.00 H new ATOM 0 HA ILE A 58 0.645 6.418 3.245 1.00 0.00 H new ATOM 0 HB ILE A 58 2.601 6.567 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.420 4.511 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.354 5.769 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.414 4.424 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.534 5.742 3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.221 4.548 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.030 3.633 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.348 4.821 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.415 3.544 0.321 1.00 0.00 H new ATOM 887 N PHE A 59 2.556 7.719 4.296 1.00 0.00 N ATOM 888 CA PHE A 59 3.469 8.606 5.003 1.00 0.00 C ATOM 889 C PHE A 59 4.707 7.836 5.460 1.00 0.00 C ATOM 890 O PHE A 59 4.754 6.610 5.350 1.00 0.00 O ATOM 891 CB PHE A 59 2.771 9.254 6.202 1.00 0.00 C ATOM 892 CG PHE A 59 1.633 10.157 5.813 1.00 0.00 C ATOM 893 CD1 PHE A 59 1.880 11.438 5.347 1.00 0.00 C ATOM 894 CD2 PHE A 59 0.321 9.723 5.908 1.00 0.00 C ATOM 895 CE1 PHE A 59 0.840 12.271 4.983 1.00 0.00 C ATOM 896 CE2 PHE A 59 -0.724 10.552 5.544 1.00 0.00 C ATOM 897 CZ PHE A 59 -0.464 11.827 5.081 1.00 0.00 C ATOM 0 H PHE A 59 2.297 6.883 4.819 1.00 0.00 H new ATOM 0 HA PHE A 59 3.781 9.396 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.395 8.471 6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.502 9.827 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.898 11.790 5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.112 8.727 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.046 13.268 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.743 10.203 5.622 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.279 12.476 4.796 1.00 0.00 H new ATOM 907 N ASP A 60 5.701 8.556 5.970 1.00 0.00 N ATOM 908 CA ASP A 60 6.977 7.951 6.353 1.00 0.00 C ATOM 909 C ASP A 60 6.835 7.087 7.601 1.00 0.00 C ATOM 910 O ASP A 60 6.397 7.561 8.650 1.00 0.00 O ATOM 911 CB ASP A 60 8.029 9.033 6.596 1.00 0.00 C ATOM 912 CG ASP A 60 9.377 8.451 6.967 1.00 0.00 C ATOM 913 OD1 ASP A 60 10.113 8.027 6.054 1.00 0.00 O ATOM 914 OD2 ASP A 60 9.715 8.427 8.171 1.00 0.00 O ATOM 0 H ASP A 60 5.649 9.562 6.129 1.00 0.00 H new ATOM 0 HA ASP A 60 7.296 7.313 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.134 9.643 5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.689 9.694 7.393 1.00 0.00 H new ATOM 919 N GLY A 61 7.200 5.821 7.476 1.00 0.00 N ATOM 920 CA GLY A 61 7.182 4.922 8.612 1.00 0.00 C ATOM 921 C GLY A 61 5.869 4.180 8.741 1.00 0.00 C ATOM 922 O GLY A 61 5.589 3.578 9.780 1.00 0.00 O ATOM 0 H GLY A 61 7.511 5.397 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.995 4.202 8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.366 5.490 9.524 1.00 0.00 H new ATOM 926 N ASP A 62 5.062 4.215 7.692 1.00 0.00 N ATOM 927 CA ASP A 62 3.765 3.556 7.718 1.00 0.00 C ATOM 928 C ASP A 62 3.884 2.127 7.191 1.00 0.00 C ATOM 929 O ASP A 62 4.856 1.779 6.515 1.00 0.00 O ATOM 930 CB ASP A 62 2.739 4.343 6.899 1.00 0.00 C ATOM 931 CG ASP A 62 1.321 4.184 7.426 1.00 0.00 C ATOM 932 OD1 ASP A 62 1.036 3.171 8.106 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.491 5.082 7.175 1.00 0.00 O ATOM 0 H ASP A 62 5.280 4.690 6.816 1.00 0.00 H new ATOM 0 HA ASP A 62 3.421 3.520 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.008 5.399 6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.776 4.011 5.862 1.00 0.00 H new ATOM 938 N ILE A 63 2.897 1.311 7.506 1.00 0.00 N ATOM 939 CA ILE A 63 2.906 -0.095 7.140 1.00 0.00 C ATOM 940 C ILE A 63 1.703 -0.410 6.257 1.00 0.00 C ATOM 941 O ILE A 63 0.573 -0.103 6.615 1.00 0.00 O ATOM 942 CB ILE A 63 2.871 -0.994 8.399 1.00 0.00 C ATOM 943 CG1 ILE A 63 4.049 -0.679 9.331 1.00 0.00 C ATOM 944 CG2 ILE A 63 2.882 -2.462 8.009 1.00 0.00 C ATOM 945 CD1 ILE A 63 5.409 -0.905 8.704 1.00 0.00 C ATOM 0 H ILE A 63 2.067 1.602 8.022 1.00 0.00 H new ATOM 0 HA ILE A 63 3.826 -0.298 6.592 1.00 0.00 H new ATOM 0 HB ILE A 63 1.946 -0.785 8.936 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.977 0.360 9.652 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.966 -1.296 10.226 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.857 -3.078 8.908 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.009 -2.682 7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.788 -2.682 7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.188 -0.660 9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.504 -1.950 8.408 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.515 -0.268 7.826 1.00 0.00 H new ATOM 957 N ILE A 64 1.940 -1.015 5.105 1.00 0.00 N ATOM 958 CA ILE A 64 0.865 -1.293 4.163 1.00 0.00 C ATOM 959 C ILE A 64 0.690 -2.796 3.964 1.00 0.00 C ATOM 960 O ILE A 64 1.586 -3.477 3.473 1.00 0.00 O ATOM 961 CB ILE A 64 1.125 -0.621 2.794 1.00 0.00 C ATOM 962 CG1 ILE A 64 1.370 0.885 2.967 1.00 0.00 C ATOM 963 CG2 ILE A 64 -0.044 -0.866 1.849 1.00 0.00 C ATOM 964 CD1 ILE A 64 0.216 1.625 3.612 1.00 0.00 C ATOM 0 H ILE A 64 2.863 -1.323 4.799 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.049 -0.878 4.588 1.00 0.00 H new ATOM 0 HB ILE A 64 2.020 -1.066 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.265 1.030 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.570 1.325 1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.156 -0.386 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.172 -1.938 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.954 -0.449 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.465 2.682 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.677 1.512 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.028 1.213 4.604 1.00 0.00 H new ATOM 976 N GLU A 65 -0.462 -3.311 4.348 1.00 0.00 N ATOM 977 CA GLU A 65 -0.747 -4.727 4.182 1.00 0.00 C ATOM 978 C GLU A 65 -1.699 -4.939 3.010 1.00 0.00 C ATOM 979 O GLU A 65 -2.849 -4.504 3.059 1.00 0.00 O ATOM 980 CB GLU A 65 -1.377 -5.303 5.453 1.00 0.00 C ATOM 981 CG GLU A 65 -0.582 -5.053 6.720 1.00 0.00 C ATOM 982 CD GLU A 65 0.765 -5.734 6.707 1.00 0.00 C ATOM 983 OE1 GLU A 65 0.804 -6.980 6.691 1.00 0.00 O ATOM 984 OE2 GLU A 65 1.786 -5.031 6.719 1.00 0.00 O ATOM 0 H GLU A 65 -1.216 -2.773 4.776 1.00 0.00 H new ATOM 0 HA GLU A 65 0.194 -5.241 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.373 -4.877 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.504 -6.378 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.441 -3.980 6.849 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.154 -5.405 7.578 1.00 0.00 H new ATOM 991 N VAL A 66 -1.230 -5.584 1.949 1.00 0.00 N ATOM 992 CA VAL A 66 -2.107 -5.919 0.842 1.00 0.00 C ATOM 993 C VAL A 66 -2.437 -7.405 0.861 1.00 0.00 C ATOM 994 O VAL A 66 -1.579 -8.257 0.622 1.00 0.00 O ATOM 995 CB VAL A 66 -1.510 -5.516 -0.523 1.00 0.00 C ATOM 996 CG1 VAL A 66 -2.323 -6.104 -1.668 1.00 0.00 C ATOM 997 CG2 VAL A 66 -1.472 -4.001 -0.637 1.00 0.00 C ATOM 0 H VAL A 66 -0.261 -5.881 1.835 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.025 -5.345 0.972 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.496 -5.911 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.881 -5.805 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.323 -7.191 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.348 -5.737 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.050 -3.719 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.484 -3.604 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.855 -3.591 0.163 1.00 0.00 H new ATOM 1007 N ILE A 67 -3.684 -7.706 1.174 1.00 0.00 N ATOM 1008 CA ILE A 67 -4.141 -9.078 1.251 1.00 0.00 C ATOM 1009 C ILE A 67 -5.148 -9.349 0.143 1.00 0.00 C ATOM 1010 O ILE A 67 -6.260 -8.816 0.157 1.00 0.00 O ATOM 1011 CB ILE A 67 -4.784 -9.382 2.621 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -3.800 -9.052 3.750 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -5.220 -10.841 2.695 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -4.380 -9.241 5.134 1.00 0.00 C ATOM 0 H ILE A 67 -4.402 -7.011 1.380 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.274 -9.728 1.130 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.669 -8.757 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.917 -9.682 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.469 -8.019 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.671 -11.037 3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.948 -11.043 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.353 -11.487 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.628 -8.989 5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.246 -8.591 5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.685 -10.280 5.262 1.00 0.00 H new ATOM 1026 N ARG A 68 -4.741 -10.143 -0.836 1.00 0.00 N ATOM 1027 CA ARG A 68 -5.629 -10.510 -1.926 1.00 0.00 C ATOM 1028 C ARG A 68 -6.785 -11.352 -1.396 1.00 0.00 C ATOM 1029 O ARG A 68 -6.657 -12.024 -0.370 1.00 0.00 O ATOM 1030 CB ARG A 68 -4.880 -11.291 -3.011 1.00 0.00 C ATOM 1031 CG ARG A 68 -4.473 -12.679 -2.566 1.00 0.00 C ATOM 1032 CD ARG A 68 -4.195 -13.597 -3.745 1.00 0.00 C ATOM 1033 NE ARG A 68 -3.972 -14.980 -3.317 1.00 0.00 N ATOM 1034 CZ ARG A 68 -4.347 -16.048 -4.021 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -4.965 -15.901 -5.185 1.00 0.00 N ATOM 1036 NH2 ARG A 68 -4.100 -17.269 -3.566 1.00 0.00 N ATOM 0 H ARG A 68 -3.805 -10.544 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.017 -9.592 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.512 -11.370 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.990 -10.734 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.583 -12.613 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.263 -13.109 -1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.035 -13.562 -4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.320 -13.238 -4.286 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.501 -15.135 -2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.156 -14.967 -5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.249 -16.722 -5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.621 -17.394 -2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.389 -18.083 -4.108 1.00 0.00 H new ATOM 1050 N VAL A 69 -7.902 -11.324 -2.100 1.00 0.00 N ATOM 1051 CA VAL A 69 -9.060 -12.105 -1.705 1.00 0.00 C ATOM 1052 C VAL A 69 -8.910 -13.536 -2.209 1.00 0.00 C ATOM 1053 O VAL A 69 -8.292 -13.772 -3.250 1.00 0.00 O ATOM 1054 CB VAL A 69 -10.373 -11.487 -2.250 1.00 0.00 C ATOM 1055 CG1 VAL A 69 -10.420 -11.545 -3.771 1.00 0.00 C ATOM 1056 CG2 VAL A 69 -11.592 -12.168 -1.645 1.00 0.00 C ATOM 0 H VAL A 69 -8.032 -10.770 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.116 -12.103 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.391 -10.438 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.353 -11.104 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.578 -10.989 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.363 -12.583 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -12.499 -11.714 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.577 -13.229 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -11.575 -12.049 -0.562 1.00 0.00 H new ATOM 1066 N ILE A 70 -9.440 -14.490 -1.461 1.00 0.00 N ATOM 1067 CA ILE A 70 -9.376 -15.879 -1.867 1.00 0.00 C ATOM 1068 C ILE A 70 -10.460 -16.176 -2.902 1.00 0.00 C ATOM 1069 O ILE A 70 -11.657 -16.181 -2.601 1.00 0.00 O ATOM 1070 CB ILE A 70 -9.487 -16.849 -0.663 1.00 0.00 C ATOM 1071 CG1 ILE A 70 -9.445 -18.304 -1.144 1.00 0.00 C ATOM 1072 CG2 ILE A 70 -10.749 -16.581 0.146 1.00 0.00 C ATOM 1073 CD1 ILE A 70 -9.415 -19.315 -0.018 1.00 0.00 C ATOM 0 H ILE A 70 -9.917 -14.327 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.397 -16.044 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 70 -8.633 -16.676 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.316 -18.496 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.565 -18.445 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.799 -17.277 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.729 -15.559 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.624 -16.715 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.386 -20.322 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.529 -19.150 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.308 -19.202 0.596 1.00 0.00 H new ATOM 1085 N TYR A 71 -10.034 -16.369 -4.135 1.00 0.00 N ATOM 1086 CA TYR A 71 -10.945 -16.716 -5.208 1.00 0.00 C ATOM 1087 C TYR A 71 -10.385 -17.891 -5.988 1.00 0.00 C ATOM 1088 O TYR A 71 -9.358 -17.767 -6.658 1.00 0.00 O ATOM 1089 CB TYR A 71 -11.168 -15.519 -6.138 1.00 0.00 C ATOM 1090 CG TYR A 71 -12.167 -15.788 -7.242 1.00 0.00 C ATOM 1091 CD1 TYR A 71 -13.525 -15.873 -6.964 1.00 0.00 C ATOM 1092 CD2 TYR A 71 -11.754 -15.963 -8.557 1.00 0.00 C ATOM 1093 CE1 TYR A 71 -14.442 -16.125 -7.964 1.00 0.00 C ATOM 1094 CE2 TYR A 71 -12.667 -16.215 -9.564 1.00 0.00 C ATOM 1095 CZ TYR A 71 -14.011 -16.295 -9.261 1.00 0.00 C ATOM 1096 OH TYR A 71 -14.926 -16.543 -10.256 1.00 0.00 O ATOM 0 H TYR A 71 -9.058 -16.291 -4.419 1.00 0.00 H new ATOM 0 HA TYR A 71 -11.907 -16.994 -4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.512 -14.670 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.215 -15.233 -6.583 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.869 -15.740 -5.949 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.703 -15.901 -8.796 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.494 -16.189 -7.730 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.331 -16.348 -10.582 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.460 -16.637 -11.113 1.00 0.00 H new ATOM 1106 N GLY A 72 -11.041 -19.029 -5.879 1.00 0.00 N ATOM 1107 CA GLY A 72 -10.578 -20.208 -6.571 1.00 0.00 C ATOM 1108 C GLY A 72 -11.143 -21.477 -5.981 1.00 0.00 C ATOM 1109 O GLY A 72 -10.433 -22.227 -5.312 1.00 0.00 O ATOM 0 H GLY A 72 -11.887 -19.159 -5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.858 -20.143 -7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.489 -20.245 -6.532 1.00 0.00 H new ATOM 1113 N GLY A 73 -12.425 -21.712 -6.220 1.00 0.00 N ATOM 1114 CA GLY A 73 -13.055 -22.920 -5.737 1.00 0.00 C ATOM 1115 C GLY A 73 -12.607 -24.128 -6.529 1.00 0.00 C ATOM 1116 O GLY A 73 -12.526 -25.232 -5.954 1.00 0.00 O ATOM 1117 OXT GLY A 73 -12.319 -23.974 -7.735 1.00 0.00 O ATOM 0 H GLY A 73 -13.039 -21.086 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.813 -23.063 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.138 -22.820 -5.804 1.00 0.00 H new TER 1121 GLY A 73