USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 63 MET CE :methyl -178:sc= 0 (180deg=-0.00581) USER MOD Single : A 1 MET CE :methyl 147:sc= -0.182 (180deg=-1.22) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.88 (180deg=0.117) USER MOD Single : A 2 MET CE :methyl 143:sc= -0.503 (180deg=-3.49!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.48 K(o=-1.5,f=-2) USER MOD Single : A 7 TYR OH : rot -179:sc= -0.169! USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0557 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0477 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0163 USER MOD Single : A 15 GLN : amide:sc= -3.08 K(o=-3.1,f=-6.6!) USER MOD Single : A 16 MET CE :methyl 175:sc= 0 (180deg=-0.0374) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -13! C(o=-13!,f=-25!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.503 K(o=-0.5,f=-3.5!) USER MOD Single : A 61 LYS NZ :NH3+ 160:sc=-0.00496 (180deg=-0.13) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0876) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.947 -10.837 -8.297 1.00 0.00 N ATOM 2 CA MET A 1 4.457 -9.440 -8.318 1.00 0.00 C ATOM 3 C MET A 1 3.315 -8.434 -8.226 1.00 0.00 C ATOM 4 O MET A 1 2.970 -7.789 -9.217 1.00 0.00 O ATOM 5 CB MET A 1 5.244 -9.231 -9.614 1.00 0.00 C ATOM 6 CG MET A 1 6.344 -8.189 -9.495 1.00 0.00 C ATOM 7 SD MET A 1 7.494 -8.232 -10.883 1.00 0.00 S ATOM 8 CE MET A 1 7.083 -6.698 -11.711 1.00 0.00 C ATOM 0 H1 MET A 1 4.639 -11.466 -8.753 1.00 0.00 H new ATOM 0 H2 MET A 1 3.801 -11.138 -7.312 1.00 0.00 H new ATOM 0 H3 MET A 1 3.044 -10.885 -8.811 1.00 0.00 H new ATOM 0 HA MET A 1 5.103 -9.280 -7.455 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.685 -10.180 -9.919 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.555 -8.932 -10.404 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.895 -7.198 -9.431 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.894 -8.351 -8.568 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.979 -6.281 -12.170 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.336 -6.889 -12.482 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.683 -5.989 -10.986 1.00 0.00 H new ATOM 20 N MET A 2 2.729 -8.293 -7.038 1.00 0.00 N ATOM 21 CA MET A 2 1.630 -7.350 -6.854 1.00 0.00 C ATOM 22 C MET A 2 2.160 -5.928 -6.662 1.00 0.00 C ATOM 23 O MET A 2 2.802 -5.623 -5.660 1.00 0.00 O ATOM 24 CB MET A 2 0.765 -7.765 -5.662 1.00 0.00 C ATOM 25 CG MET A 2 -0.536 -8.439 -6.061 1.00 0.00 C ATOM 26 SD MET A 2 -1.716 -7.292 -6.797 1.00 0.00 S ATOM 27 CE MET A 2 -1.842 -7.954 -8.457 1.00 0.00 C ATOM 0 H MET A 2 2.993 -8.812 -6.200 1.00 0.00 H new ATOM 0 HA MET A 2 1.013 -7.364 -7.753 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.336 -8.443 -5.028 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.539 -6.883 -5.063 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.323 -9.240 -6.769 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.985 -8.902 -5.182 1.00 0.00 H new ATOM 0 HE1 MET A 2 -2.870 -7.862 -8.808 1.00 0.00 H new ATOM 0 HE2 MET A 2 -1.180 -7.398 -9.121 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.553 -9.005 -8.453 1.00 0.00 H new ATOM 37 N LYS A 3 1.885 -5.059 -7.632 1.00 0.00 N ATOM 38 CA LYS A 3 2.337 -3.671 -7.568 1.00 0.00 C ATOM 39 C LYS A 3 1.591 -2.910 -6.481 1.00 0.00 C ATOM 40 O LYS A 3 0.366 -2.801 -6.509 1.00 0.00 O ATOM 41 CB LYS A 3 2.138 -2.984 -8.922 1.00 0.00 C ATOM 42 CG LYS A 3 3.435 -2.506 -9.556 1.00 0.00 C ATOM 43 CD LYS A 3 3.612 -3.065 -10.959 1.00 0.00 C ATOM 44 CE LYS A 3 5.069 -3.381 -11.254 1.00 0.00 C ATOM 45 NZ LYS A 3 5.816 -2.179 -11.717 1.00 0.00 N ATOM 0 H LYS A 3 1.352 -5.291 -8.470 1.00 0.00 H new ATOM 0 HA LYS A 3 3.399 -3.669 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.644 -3.677 -9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.470 -2.132 -8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.442 -1.417 -9.594 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.278 -2.809 -8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.013 -3.969 -11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.240 -2.345 -11.688 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.543 -3.779 -10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.125 -4.159 -12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.805 -2.437 -11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.380 -1.813 -12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.785 -1.446 -10.980 1.00 0.00 H new ATOM 59 N ILE A 4 2.343 -2.393 -5.517 1.00 0.00 N ATOM 60 CA ILE A 4 1.760 -1.649 -4.409 1.00 0.00 C ATOM 61 C ILE A 4 2.450 -0.302 -4.217 1.00 0.00 C ATOM 62 O ILE A 4 3.666 -0.228 -4.048 1.00 0.00 O ATOM 63 CB ILE A 4 1.836 -2.467 -3.101 1.00 0.00 C ATOM 64 CG1 ILE A 4 0.801 -3.589 -3.129 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.630 -1.582 -1.880 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.412 -4.962 -3.022 1.00 0.00 C ATOM 0 H ILE A 4 3.359 -2.476 -5.481 1.00 0.00 H new ATOM 0 HA ILE A 4 0.714 -1.466 -4.655 1.00 0.00 H new ATOM 0 HB ILE A 4 2.833 -2.902 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.098 -3.446 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.229 -3.524 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.690 -2.189 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.403 -0.814 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.650 -1.108 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.624 -5.714 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.094 -5.123 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.961 -5.044 -2.084 1.00 0.00 H new ATOM 78 N GLN A 5 1.655 0.757 -4.237 1.00 0.00 N ATOM 79 CA GLN A 5 2.168 2.110 -4.054 1.00 0.00 C ATOM 80 C GLN A 5 1.697 2.677 -2.720 1.00 0.00 C ATOM 81 O GLN A 5 0.561 2.443 -2.309 1.00 0.00 O ATOM 82 CB GLN A 5 1.715 3.023 -5.199 1.00 0.00 C ATOM 83 CG GLN A 5 1.435 2.294 -6.505 1.00 0.00 C ATOM 84 CD GLN A 5 2.550 1.344 -6.900 1.00 0.00 C ATOM 85 OE1 GLN A 5 3.714 1.561 -6.563 1.00 0.00 O ATOM 86 NE2 GLN A 5 2.198 0.283 -7.617 1.00 0.00 N ATOM 0 H GLN A 5 0.646 0.707 -4.379 1.00 0.00 H new ATOM 0 HA GLN A 5 3.257 2.064 -4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.814 3.553 -4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.483 3.776 -5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.504 1.735 -6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.289 3.025 -7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.221 0.143 -7.874 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.905 -0.391 -7.911 1.00 0.00 H new ATOM 95 N ILE A 6 2.564 3.426 -2.046 1.00 0.00 N ATOM 96 CA ILE A 6 2.209 4.019 -0.761 1.00 0.00 C ATOM 97 C ILE A 6 2.547 5.501 -0.744 1.00 0.00 C ATOM 98 O ILE A 6 3.717 5.883 -0.814 1.00 0.00 O ATOM 99 CB ILE A 6 2.920 3.321 0.420 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.327 2.861 0.019 1.00 0.00 C ATOM 101 CG2 ILE A 6 2.088 2.145 0.916 1.00 0.00 C ATOM 102 CD1 ILE A 6 4.346 1.621 -0.852 1.00 0.00 C ATOM 0 H ILE A 6 3.510 3.636 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 6 1.134 3.883 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 6 3.023 4.040 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.826 3.672 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.906 2.667 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.600 1.662 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.114 2.503 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.954 1.427 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.377 1.361 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.878 0.794 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.797 1.815 -1.773 1.00 0.00 H new ATOM 114 N TYR A 7 1.515 6.338 -0.676 1.00 0.00 N ATOM 115 CA TYR A 7 1.716 7.776 -0.678 1.00 0.00 C ATOM 116 C TYR A 7 1.624 8.367 0.720 1.00 0.00 C ATOM 117 O TYR A 7 0.563 8.371 1.344 1.00 0.00 O ATOM 118 CB TYR A 7 0.717 8.429 -1.633 1.00 0.00 C ATOM 119 CG TYR A 7 0.738 7.787 -3.007 1.00 0.00 C ATOM 120 CD1 TYR A 7 0.086 6.584 -3.225 1.00 0.00 C ATOM 121 CD2 TYR A 7 1.433 8.354 -4.070 1.00 0.00 C ATOM 122 CE1 TYR A 7 0.116 5.964 -4.457 1.00 0.00 C ATOM 123 CE2 TYR A 7 2.019 8.191 -6.118 1.00 0.00 C ATOM 124 CZ TYR A 7 0.810 6.543 -5.495 1.00 0.00 C ATOM 125 OH TYR A 7 0.846 5.926 -6.725 1.00 0.00 O ATOM 0 H TYR A 7 0.540 6.044 -0.619 1.00 0.00 H new ATOM 0 HA TYR A 7 2.727 7.983 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.286 8.355 -1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.946 9.491 -1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.457 6.122 -2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.861 9.274 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.403 5.029 -4.606 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.566 8.643 -6.932 1.00 0.00 H new ATOM 0 HH TYR A 7 1.390 6.458 -7.342 1.00 0.00 H new ATOM 135 N GLY A 8 2.762 8.865 1.202 1.00 0.00 N ATOM 136 CA GLY A 8 2.816 9.457 2.525 1.00 0.00 C ATOM 137 C GLY A 8 4.234 9.767 2.962 1.00 0.00 C ATOM 138 O GLY A 8 4.812 10.775 2.551 1.00 0.00 O ATOM 0 H GLY A 8 3.648 8.868 0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.227 10.374 2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.358 8.777 3.243 1.00 0.00 H new ATOM 142 N THR A 9 4.796 8.899 3.796 1.00 0.00 N ATOM 143 CA THR A 9 6.156 9.080 4.288 1.00 0.00 C ATOM 144 C THR A 9 6.298 10.391 5.055 1.00 0.00 C ATOM 145 O THR A 9 6.371 11.466 4.458 1.00 0.00 O ATOM 146 CB THR A 9 7.178 9.064 3.135 1.00 0.00 C ATOM 147 OG1 THR A 9 6.670 8.291 2.041 1.00 0.00 O ATOM 148 CG2 THR A 9 8.507 8.484 3.598 1.00 0.00 C ATOM 0 H THR A 9 4.330 8.062 4.146 1.00 0.00 H new ATOM 0 HA THR A 9 6.359 8.246 4.959 1.00 0.00 H new ATOM 0 HB THR A 9 7.341 10.091 2.809 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.324 8.287 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.213 8.483 2.767 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.905 9.091 4.411 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.356 7.463 3.947 1.00 0.00 H new ATOM 156 N GLY A 10 6.337 10.295 6.380 1.00 0.00 N ATOM 157 CA GLY A 10 6.474 11.480 7.206 1.00 0.00 C ATOM 158 C GLY A 10 5.199 11.825 7.951 1.00 0.00 C ATOM 159 O GLY A 10 5.244 12.416 9.030 1.00 0.00 O ATOM 0 H GLY A 10 6.276 9.417 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.279 11.326 7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.763 12.323 6.579 1.00 0.00 H new ATOM 163 N CYS A 11 4.059 11.459 7.375 1.00 0.00 N ATOM 164 CA CYS A 11 2.768 11.738 7.996 1.00 0.00 C ATOM 165 C CYS A 11 1.823 10.547 7.860 1.00 0.00 C ATOM 166 O CYS A 11 1.201 10.123 8.832 1.00 0.00 O ATOM 167 CB CYS A 11 2.133 12.981 7.368 1.00 0.00 C ATOM 168 SG CYS A 11 2.252 13.045 5.565 1.00 0.00 S ATOM 0 H CYS A 11 4.002 10.970 6.482 1.00 0.00 H new ATOM 0 HA CYS A 11 2.939 11.921 9.057 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.082 13.021 7.653 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.610 13.868 7.784 1.00 0.00 H new ATOM 0 HG CYS A 11 1.685 14.131 5.131 1.00 0.00 H new ATOM 174 N ALA A 12 1.720 10.014 6.646 1.00 0.00 N ATOM 175 CA ALA A 12 0.849 8.873 6.386 1.00 0.00 C ATOM 176 C ALA A 12 1.438 7.590 6.964 1.00 0.00 C ATOM 177 O ALA A 12 2.618 7.295 6.776 1.00 0.00 O ATOM 178 CB ALA A 12 0.609 8.728 4.890 1.00 0.00 C ATOM 0 H ALA A 12 2.228 10.353 5.829 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.107 9.051 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.042 7.873 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.136 9.633 4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.561 8.574 4.382 1.00 0.00 H new ATOM 184 N ASN A 13 0.604 6.829 7.670 1.00 0.00 N ATOM 185 CA ASN A 13 1.033 5.573 8.282 1.00 0.00 C ATOM 186 C ASN A 13 1.155 4.441 7.256 1.00 0.00 C ATOM 187 O ASN A 13 1.142 3.266 7.623 1.00 0.00 O ATOM 188 CB ASN A 13 0.054 5.165 9.385 1.00 0.00 C ATOM 189 CG ASN A 13 -0.184 6.279 10.387 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.669 6.565 11.227 1.00 0.00 O ATOM 191 ND2 ASN A 13 -1.348 6.911 10.303 1.00 0.00 N ATOM 0 H ASN A 13 -0.376 7.061 7.833 1.00 0.00 H new ATOM 0 HA ASN A 13 2.022 5.742 8.708 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.896 4.875 8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.441 4.289 9.905 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.565 7.668 10.951 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.025 6.640 9.590 1.00 0.00 H new ATOM 198 N CYS A 14 1.268 4.791 5.977 1.00 0.00 N ATOM 199 CA CYS A 14 1.388 3.785 4.918 1.00 0.00 C ATOM 200 C CYS A 14 2.564 2.844 5.179 1.00 0.00 C ATOM 201 O CYS A 14 2.597 1.721 4.675 1.00 0.00 O ATOM 202 CB CYS A 14 1.556 4.453 3.550 1.00 0.00 C ATOM 203 SG CYS A 14 2.763 5.801 3.520 1.00 0.00 S ATOM 0 H CYS A 14 1.279 5.756 5.647 1.00 0.00 H new ATOM 0 HA CYS A 14 0.468 3.200 4.918 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.856 3.697 2.824 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.589 4.840 3.227 1.00 0.00 H new ATOM 0 HG CYS A 14 2.831 6.296 2.320 1.00 0.00 H new ATOM 209 N GLN A 15 3.530 3.312 5.963 1.00 0.00 N ATOM 210 CA GLN A 15 4.709 2.527 6.292 1.00 0.00 C ATOM 211 C GLN A 15 4.328 1.235 7.016 1.00 0.00 C ATOM 212 O GLN A 15 4.980 0.204 6.848 1.00 0.00 O ATOM 213 CB GLN A 15 5.658 3.392 7.137 1.00 0.00 C ATOM 214 CG GLN A 15 5.980 2.841 8.522 1.00 0.00 C ATOM 215 CD GLN A 15 4.842 3.031 9.507 1.00 0.00 C ATOM 216 OE1 GLN A 15 4.310 2.065 10.054 1.00 0.00 O ATOM 217 NE2 GLN A 15 4.464 4.283 9.737 1.00 0.00 N ATOM 0 H GLN A 15 3.516 4.241 6.385 1.00 0.00 H new ATOM 0 HA GLN A 15 5.218 2.230 5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.591 3.521 6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.216 4.382 7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.212 1.779 8.441 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.873 3.334 8.906 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.934 5.053 9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.704 4.475 10.390 1.00 0.00 H new ATOM 226 N MET A 16 3.271 1.297 7.819 1.00 0.00 N ATOM 227 CA MET A 16 2.810 0.131 8.565 1.00 0.00 C ATOM 228 C MET A 16 2.325 -0.963 7.620 1.00 0.00 C ATOM 229 O MET A 16 2.880 -2.061 7.587 1.00 0.00 O ATOM 230 CB MET A 16 1.687 0.525 9.526 1.00 0.00 C ATOM 231 CG MET A 16 1.359 -0.549 10.550 1.00 0.00 C ATOM 232 SD MET A 16 0.395 0.084 11.936 1.00 0.00 S ATOM 233 CE MET A 16 -1.133 0.523 11.112 1.00 0.00 C ATOM 0 H MET A 16 2.718 2.141 7.970 1.00 0.00 H new ATOM 0 HA MET A 16 3.651 -0.257 9.140 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.971 1.439 10.048 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.790 0.752 8.950 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.805 -1.352 10.064 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.286 -0.983 10.925 1.00 0.00 H new ATOM 0 HE1 MET A 16 -1.865 0.848 11.852 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.946 1.333 10.406 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.519 -0.344 10.576 1.00 0.00 H new ATOM 243 N LEU A 17 1.287 -0.655 6.850 1.00 0.00 N ATOM 244 CA LEU A 17 0.725 -1.609 5.902 1.00 0.00 C ATOM 245 C LEU A 17 1.765 -2.013 4.864 1.00 0.00 C ATOM 246 O LEU A 17 1.772 -3.144 4.387 1.00 0.00 O ATOM 247 CB LEU A 17 -0.499 -1.005 5.209 1.00 0.00 C ATOM 248 CG LEU A 17 -1.566 -2.006 4.762 1.00 0.00 C ATOM 249 CD1 LEU A 17 -1.030 -2.904 3.660 1.00 0.00 C ATOM 250 CD2 LEU A 17 -2.050 -2.835 5.940 1.00 0.00 C ATOM 0 H LEU A 17 0.817 0.250 6.864 1.00 0.00 H new ATOM 0 HA LEU A 17 0.420 -2.500 6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.961 -0.287 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.161 -0.447 4.336 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.414 -1.447 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.804 -3.609 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.737 -2.295 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.163 -3.453 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.808 -3.541 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.211 -3.382 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.479 -2.177 6.696 1.00 0.00 H new ATOM 262 N GLU A 18 2.643 -1.080 4.517 1.00 0.00 N ATOM 263 CA GLU A 18 3.691 -1.365 3.525 1.00 0.00 C ATOM 264 C GLU A 18 4.530 -2.567 3.957 1.00 0.00 C ATOM 265 O GLU A 18 4.907 -3.400 3.134 1.00 0.00 O ATOM 266 CB GLU A 18 4.618 -0.156 3.282 1.00 0.00 C ATOM 267 CG GLU A 18 5.699 -0.429 2.248 1.00 0.00 C ATOM 268 CD GLU A 18 7.061 -0.657 2.875 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.111 -1.044 4.062 1.00 0.00 O ATOM 270 OE2 GLU A 18 8.077 -0.450 2.179 1.00 0.00 O ATOM 0 H GLU A 18 2.658 -0.133 4.896 1.00 0.00 H new ATOM 0 HA GLU A 18 3.179 -1.588 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.018 0.694 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.088 0.128 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.422 -1.305 1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.757 0.412 1.558 1.00 0.00 H new ATOM 277 N LYS A 19 4.824 -2.646 5.253 1.00 0.00 N ATOM 278 CA LYS A 19 5.625 -3.740 5.794 1.00 0.00 C ATOM 279 C LYS A 19 4.837 -5.049 5.849 1.00 0.00 C ATOM 280 O LYS A 19 5.297 -6.081 5.353 1.00 0.00 O ATOM 281 CB LYS A 19 6.127 -3.380 7.193 1.00 0.00 C ATOM 282 CG LYS A 19 7.415 -4.089 7.579 1.00 0.00 C ATOM 283 CD LYS A 19 7.554 -4.205 9.089 1.00 0.00 C ATOM 284 CE LYS A 19 8.302 -5.468 9.484 1.00 0.00 C ATOM 285 NZ LYS A 19 8.620 -5.494 10.939 1.00 0.00 N ATOM 0 H LYS A 19 4.519 -1.965 5.948 1.00 0.00 H new ATOM 0 HA LYS A 19 6.473 -3.888 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.285 -2.303 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.354 -3.626 7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.432 -5.083 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.268 -3.543 7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.081 -3.333 9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.565 -4.208 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.701 -6.341 9.228 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.226 -5.537 8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.130 -6.371 11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.215 -4.675 11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.738 -5.454 11.488 1.00 0.00 H new ATOM 299 N ASN A 20 3.656 -5.010 6.460 1.00 0.00 N ATOM 300 CA ASN A 20 2.831 -6.214 6.577 1.00 0.00 C ATOM 301 C ASN A 20 2.391 -6.703 5.205 1.00 0.00 C ATOM 302 O ASN A 20 2.268 -7.906 4.973 1.00 0.00 O ATOM 303 CB ASN A 20 1.611 -5.986 7.484 1.00 0.00 C ATOM 304 CG ASN A 20 0.700 -4.870 7.020 1.00 0.00 C ATOM 305 OD1 ASN A 20 0.512 -4.655 5.824 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.121 -4.157 7.980 1.00 0.00 N ATOM 0 H ASN A 20 3.251 -4.172 6.877 1.00 0.00 H new ATOM 0 HA ASN A 20 3.447 -6.984 7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.036 -6.910 7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.958 -5.763 8.493 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.511 -3.393 7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.308 -4.373 8.959 1.00 0.00 H new ATOM 313 N ALA A 21 2.162 -5.766 4.297 1.00 0.00 N ATOM 314 CA ALA A 21 1.743 -6.102 2.943 1.00 0.00 C ATOM 315 C ALA A 21 2.808 -6.931 2.230 1.00 0.00 C ATOM 316 O ALA A 21 2.506 -7.968 1.646 1.00 0.00 O ATOM 317 CB ALA A 21 1.438 -4.841 2.154 1.00 0.00 C ATOM 0 H ALA A 21 2.259 -4.766 4.473 1.00 0.00 H new ATOM 0 HA ALA A 21 0.835 -6.701 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.126 -5.110 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.637 -4.289 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.331 -4.218 2.104 1.00 0.00 H new ATOM 323 N ARG A 22 4.056 -6.468 2.279 1.00 0.00 N ATOM 324 CA ARG A 22 5.160 -7.174 1.636 1.00 0.00 C ATOM 325 C ARG A 22 5.237 -8.621 2.115 1.00 0.00 C ATOM 326 O ARG A 22 5.514 -9.528 1.332 1.00 0.00 O ATOM 327 CB ARG A 22 6.486 -6.457 1.926 1.00 0.00 C ATOM 328 CG ARG A 22 7.147 -5.871 0.689 1.00 0.00 C ATOM 329 CD ARG A 22 8.663 -5.943 0.783 1.00 0.00 C ATOM 330 NE ARG A 22 9.171 -5.259 1.968 1.00 0.00 N ATOM 331 CZ ARG A 22 9.190 -3.935 2.110 1.00 0.00 C ATOM 332 NH1 ARG A 22 8.732 -3.151 1.142 1.00 0.00 N ATOM 333 NH2 ARG A 22 9.670 -3.394 3.221 1.00 0.00 N ATOM 0 H ARG A 22 4.326 -5.608 2.757 1.00 0.00 H new ATOM 0 HA ARG A 22 4.980 -7.177 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.307 -5.657 2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.174 -7.160 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.810 -6.411 -0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.837 -4.833 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.976 -6.987 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.103 -5.497 -0.109 1.00 0.00 H new ATOM 0 HE ARG A 22 9.533 -5.829 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.363 -3.562 0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.749 -2.137 1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.025 -3.992 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.684 -2.380 3.329 1.00 0.00 H new ATOM 347 N GLU A 23 4.993 -8.830 3.404 1.00 0.00 N ATOM 348 CA GLU A 23 5.041 -10.171 3.977 1.00 0.00 C ATOM 349 C GLU A 23 3.843 -11.005 3.525 1.00 0.00 C ATOM 350 O GLU A 23 4.003 -12.132 3.062 1.00 0.00 O ATOM 351 CB GLU A 23 5.088 -10.097 5.508 1.00 0.00 C ATOM 352 CG GLU A 23 4.883 -11.436 6.199 1.00 0.00 C ATOM 353 CD GLU A 23 5.985 -12.429 5.886 1.00 0.00 C ATOM 354 OE1 GLU A 23 6.203 -12.717 4.690 1.00 0.00 O ATOM 355 OE2 GLU A 23 6.632 -12.916 6.836 1.00 0.00 O ATOM 0 H GLU A 23 4.761 -8.093 4.069 1.00 0.00 H new ATOM 0 HA GLU A 23 5.948 -10.658 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.051 -9.687 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.322 -9.402 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.834 -11.281 7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.924 -11.855 5.894 1.00 0.00 H new ATOM 362 N ALA A 24 2.645 -10.447 3.667 1.00 0.00 N ATOM 363 CA ALA A 24 1.424 -11.148 3.280 1.00 0.00 C ATOM 364 C ALA A 24 1.398 -11.451 1.787 1.00 0.00 C ATOM 365 O ALA A 24 1.151 -12.587 1.383 1.00 0.00 O ATOM 366 CB ALA A 24 0.201 -10.335 3.677 1.00 0.00 C ATOM 0 H ALA A 24 2.493 -9.513 4.047 1.00 0.00 H new ATOM 0 HA ALA A 24 1.406 -12.100 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.702 -10.869 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.198 -10.185 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.229 -9.367 3.177 1.00 0.00 H new ATOM 372 N VAL A 25 1.650 -10.436 0.967 1.00 0.00 N ATOM 373 CA VAL A 25 1.648 -10.614 -0.481 1.00 0.00 C ATOM 374 C VAL A 25 2.582 -11.759 -0.881 1.00 0.00 C ATOM 375 O VAL A 25 2.158 -12.717 -1.527 1.00 0.00 O ATOM 376 CB VAL A 25 2.053 -9.299 -1.214 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.506 -8.938 -0.943 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.799 -9.425 -2.707 1.00 0.00 C ATOM 0 H VAL A 25 1.857 -9.487 1.278 1.00 0.00 H new ATOM 0 HA VAL A 25 0.632 -10.868 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 25 1.434 -8.492 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.756 -8.016 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.652 -8.796 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.152 -9.743 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.087 -8.499 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.388 -10.250 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.740 -9.616 -2.881 1.00 0.00 H new ATOM 388 N LYS A 26 3.843 -11.669 -0.474 1.00 0.00 N ATOM 389 CA LYS A 26 4.823 -12.708 -0.771 1.00 0.00 C ATOM 390 C LYS A 26 4.439 -14.023 -0.091 1.00 0.00 C ATOM 391 O LYS A 26 4.422 -15.078 -0.725 1.00 0.00 O ATOM 392 CB LYS A 26 6.212 -12.275 -0.296 1.00 0.00 C ATOM 393 CG LYS A 26 7.010 -11.516 -1.342 1.00 0.00 C ATOM 394 CD LYS A 26 8.329 -11.013 -0.778 1.00 0.00 C ATOM 395 CE LYS A 26 9.440 -12.033 -0.966 1.00 0.00 C ATOM 396 NZ LYS A 26 10.487 -11.916 0.086 1.00 0.00 N ATOM 0 H LYS A 26 4.212 -10.885 0.064 1.00 0.00 H new ATOM 0 HA LYS A 26 4.840 -12.860 -1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.104 -11.649 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.774 -13.159 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.202 -12.165 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.424 -10.673 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.604 -10.080 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.212 -10.792 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.017 -13.037 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.895 -11.897 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.226 -12.629 -0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.909 -10.966 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.059 -12.071 1.021 1.00 0.00 H new ATOM 410 N GLU A 27 4.135 -13.948 1.205 1.00 0.00 N ATOM 411 CA GLU A 27 3.758 -15.129 1.980 1.00 0.00 C ATOM 412 C GLU A 27 2.575 -15.853 1.348 1.00 0.00 C ATOM 413 O GLU A 27 2.596 -17.073 1.189 1.00 0.00 O ATOM 414 CB GLU A 27 3.417 -14.738 3.419 1.00 0.00 C ATOM 415 CG GLU A 27 3.089 -15.924 4.311 1.00 0.00 C ATOM 416 CD GLU A 27 2.608 -15.504 5.686 1.00 0.00 C ATOM 417 OE1 GLU A 27 3.049 -14.441 6.170 1.00 0.00 O ATOM 418 OE2 GLU A 27 1.790 -16.240 6.279 1.00 0.00 O ATOM 0 H GLU A 27 4.143 -13.080 1.740 1.00 0.00 H new ATOM 0 HA GLU A 27 4.612 -15.807 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.258 -14.194 3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.567 -14.055 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.322 -16.533 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.974 -16.551 4.416 1.00 0.00 H new ATOM 425 N LEU A 28 1.543 -15.095 0.983 1.00 0.00 N ATOM 426 CA LEU A 28 0.355 -15.672 0.361 1.00 0.00 C ATOM 427 C LEU A 28 0.736 -16.552 -0.827 1.00 0.00 C ATOM 428 O LEU A 28 -0.024 -17.432 -1.230 1.00 0.00 O ATOM 429 CB LEU A 28 -0.602 -14.564 -0.092 1.00 0.00 C ATOM 430 CG LEU A 28 -1.812 -14.343 0.815 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.738 -15.549 0.774 1.00 0.00 C ATOM 432 CD2 LEU A 28 -1.363 -14.062 2.242 1.00 0.00 C ATOM 0 H LEU A 28 1.506 -14.083 1.107 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.148 -16.293 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.045 -13.630 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.957 -14.800 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.362 -13.476 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.594 -15.373 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.086 -15.706 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.199 -16.433 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.237 -13.907 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.790 -14.910 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.740 -13.168 2.258 1.00 0.00 H new ATOM 444 N GLY A 29 1.920 -16.306 -1.382 1.00 0.00 N ATOM 445 CA GLY A 29 2.385 -17.083 -2.514 1.00 0.00 C ATOM 446 C GLY A 29 2.498 -16.252 -3.775 1.00 0.00 C ATOM 447 O GLY A 29 2.228 -16.739 -4.874 1.00 0.00 O ATOM 0 H GLY A 29 2.565 -15.581 -1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.357 -17.517 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.700 -17.912 -2.688 1.00 0.00 H new ATOM 451 N ILE A 30 2.902 -14.996 -3.617 1.00 0.00 N ATOM 452 CA ILE A 30 3.055 -14.094 -4.752 1.00 0.00 C ATOM 453 C ILE A 30 3.789 -12.820 -4.346 1.00 0.00 C ATOM 454 O ILE A 30 3.271 -12.005 -3.585 1.00 0.00 O ATOM 455 CB ILE A 30 1.694 -13.710 -5.373 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.614 -13.608 -4.292 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.291 -14.721 -6.436 1.00 0.00 C ATOM 458 CD1 ILE A 30 -0.508 -12.657 -4.647 1.00 0.00 C ATOM 0 H ILE A 30 3.129 -14.580 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 30 3.640 -14.633 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 30 1.797 -12.733 -5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.197 -14.599 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.074 -13.282 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.330 -14.436 -6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.046 -14.743 -7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.208 -15.710 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.236 -12.635 -3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.103 -11.656 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.994 -12.994 -5.563 1.00 0.00 H new ATOM 470 N ASP A 31 4.998 -12.653 -4.870 1.00 0.00 N ATOM 471 CA ASP A 31 5.808 -11.484 -4.578 1.00 0.00 C ATOM 472 C ASP A 31 5.106 -10.220 -5.046 1.00 0.00 C ATOM 473 O ASP A 31 4.154 -10.280 -5.820 1.00 0.00 O ATOM 474 CB ASP A 31 7.176 -11.602 -5.251 1.00 0.00 C ATOM 475 CG ASP A 31 8.169 -10.581 -4.733 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.370 -10.521 -3.501 1.00 0.00 O ATOM 477 OD2 ASP A 31 8.745 -9.841 -5.557 1.00 0.00 O ATOM 0 H ASP A 31 5.438 -13.320 -5.504 1.00 0.00 H new ATOM 0 HA ASP A 31 5.950 -11.426 -3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.572 -12.604 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.059 -11.477 -6.327 1.00 0.00 H new ATOM 482 N ALA A 32 5.576 -9.079 -4.567 1.00 0.00 N ATOM 483 CA ALA A 32 5.005 -7.804 -4.930 1.00 0.00 C ATOM 484 C ALA A 32 6.088 -6.751 -4.917 1.00 0.00 C ATOM 485 O ALA A 32 7.208 -7.009 -4.476 1.00 0.00 O ATOM 486 CB ALA A 32 3.878 -7.436 -3.981 1.00 0.00 C ATOM 0 H ALA A 32 6.361 -9.017 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 32 4.585 -7.868 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.459 -6.472 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.100 -8.198 -4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.265 -7.374 -2.964 1.00 0.00 H new ATOM 492 N GLU A 33 5.760 -5.569 -5.389 1.00 0.00 N ATOM 493 CA GLU A 33 6.727 -4.494 -5.413 1.00 0.00 C ATOM 494 C GLU A 33 6.140 -3.255 -4.764 1.00 0.00 C ATOM 495 O GLU A 33 5.224 -2.634 -5.302 1.00 0.00 O ATOM 496 CB GLU A 33 7.166 -4.182 -6.844 1.00 0.00 C ATOM 497 CG GLU A 33 7.366 -5.419 -7.705 1.00 0.00 C ATOM 498 CD GLU A 33 8.342 -5.185 -8.843 1.00 0.00 C ATOM 499 OE1 GLU A 33 8.169 -4.191 -9.578 1.00 0.00 O ATOM 500 OE2 GLU A 33 9.279 -5.996 -8.996 1.00 0.00 O ATOM 0 H GLU A 33 4.840 -5.329 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 33 7.606 -4.811 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.419 -3.541 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.097 -3.617 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.729 -6.236 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.405 -5.732 -8.114 1.00 0.00 H new ATOM 507 N PHE A 34 6.659 -2.910 -3.598 1.00 0.00 N ATOM 508 CA PHE A 34 6.168 -1.756 -2.872 1.00 0.00 C ATOM 509 C PHE A 34 7.078 -0.557 -3.059 1.00 0.00 C ATOM 510 O PHE A 34 8.194 -0.514 -2.542 1.00 0.00 O ATOM 511 CB PHE A 34 6.018 -2.100 -1.395 1.00 0.00 C ATOM 512 CG PHE A 34 5.135 -3.293 -1.171 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.571 -4.567 -1.504 1.00 0.00 C ATOM 514 CD2 PHE A 34 3.862 -3.140 -0.649 1.00 0.00 C ATOM 515 CE1 PHE A 34 4.752 -5.663 -1.318 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.042 -4.233 -0.459 1.00 0.00 C ATOM 517 CZ PHE A 34 3.486 -5.495 -0.793 1.00 0.00 C ATOM 0 H PHE A 34 7.418 -3.412 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 34 5.191 -1.487 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.002 -2.295 -0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.605 -1.242 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.561 -4.703 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.507 -2.154 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.101 -6.650 -1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.052 -4.100 -0.049 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.844 -6.351 -0.644 1.00 0.00 H new ATOM 527 N GLU A 35 6.581 0.416 -3.808 1.00 0.00 N ATOM 528 CA GLU A 35 7.328 1.633 -4.081 1.00 0.00 C ATOM 529 C GLU A 35 6.662 2.835 -3.424 1.00 0.00 C ATOM 530 O GLU A 35 5.503 3.149 -3.703 1.00 0.00 O ATOM 531 CB GLU A 35 7.444 1.856 -5.591 1.00 0.00 C ATOM 532 CG GLU A 35 8.817 1.522 -6.151 1.00 0.00 C ATOM 533 CD GLU A 35 9.904 2.432 -5.612 1.00 0.00 C ATOM 534 OE1 GLU A 35 9.590 3.589 -5.264 1.00 0.00 O ATOM 535 OE2 GLU A 35 11.068 1.986 -5.538 1.00 0.00 O ATOM 0 H GLU A 35 5.657 0.385 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 35 8.328 1.521 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.696 1.247 -6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.213 2.897 -5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.062 0.488 -5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.790 1.598 -7.238 1.00 0.00 H new ATOM 542 N LYS A 36 7.403 3.508 -2.555 1.00 0.00 N ATOM 543 CA LYS A 36 6.886 4.680 -1.867 1.00 0.00 C ATOM 544 C LYS A 36 7.278 5.943 -2.620 1.00 0.00 C ATOM 545 O LYS A 36 8.395 6.056 -3.122 1.00 0.00 O ATOM 546 CB LYS A 36 7.409 4.736 -0.432 1.00 0.00 C ATOM 547 CG LYS A 36 7.348 3.397 0.290 1.00 0.00 C ATOM 548 CD LYS A 36 8.728 2.927 0.729 1.00 0.00 C ATOM 549 CE LYS A 36 8.796 2.723 2.235 1.00 0.00 C ATOM 550 NZ LYS A 36 8.968 4.011 2.963 1.00 0.00 N ATOM 0 H LYS A 36 8.362 3.262 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 36 5.799 4.611 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.441 5.087 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.829 5.469 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.699 3.483 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.902 2.650 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.973 1.993 0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.476 3.660 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.885 2.232 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.625 2.057 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.010 3.829 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.851 4.468 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.164 4.637 2.756 1.00 0.00 H new ATOM 564 N ILE A 37 6.351 6.888 -2.702 1.00 0.00 N ATOM 565 CA ILE A 37 6.606 8.138 -3.404 1.00 0.00 C ATOM 566 C ILE A 37 6.777 9.278 -2.402 1.00 0.00 C ATOM 567 O ILE A 37 6.665 9.070 -1.194 1.00 0.00 O ATOM 568 CB ILE A 37 5.462 8.464 -4.409 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.416 9.377 -3.776 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.801 7.184 -4.904 1.00 0.00 C ATOM 571 CD1 ILE A 37 3.827 8.805 -2.514 1.00 0.00 C ATOM 0 H ILE A 37 5.420 6.813 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 37 7.528 8.026 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 37 5.906 8.985 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.870 10.343 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.617 9.558 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.004 7.433 -5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.543 6.561 -5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.382 6.640 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.090 9.499 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.346 7.853 -2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.619 8.649 -1.781 1.00 0.00 H new ATOM 583 N LYS A 38 7.034 10.481 -2.899 1.00 0.00 N ATOM 584 CA LYS A 38 7.194 11.634 -2.023 1.00 0.00 C ATOM 585 C LYS A 38 6.878 12.927 -2.764 1.00 0.00 C ATOM 586 O LYS A 38 7.775 13.692 -3.120 1.00 0.00 O ATOM 587 CB LYS A 38 8.612 11.678 -1.454 1.00 0.00 C ATOM 588 CG LYS A 38 9.693 11.815 -2.515 1.00 0.00 C ATOM 589 CD LYS A 38 10.517 10.544 -2.642 1.00 0.00 C ATOM 590 CE LYS A 38 11.975 10.853 -2.946 1.00 0.00 C ATOM 591 NZ LYS A 38 12.279 10.714 -4.398 1.00 0.00 N ATOM 0 H LYS A 38 7.135 10.683 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 38 6.489 11.535 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.689 12.514 -0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.792 10.769 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.233 12.049 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.347 12.650 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.451 9.972 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.104 9.919 -3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.207 11.867 -2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.616 10.181 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.282 10.933 -4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.082 9.739 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.686 11.373 -4.942 1.00 0.00 H new ATOM 605 N GLU A 39 5.584 13.155 -2.979 1.00 0.00 N ATOM 606 CA GLU A 39 5.086 14.352 -3.671 1.00 0.00 C ATOM 607 C GLU A 39 3.652 14.123 -4.145 1.00 0.00 C ATOM 608 O GLU A 39 3.379 13.141 -4.835 1.00 0.00 O ATOM 609 CB GLU A 39 5.970 14.709 -4.876 1.00 0.00 C ATOM 610 CG GLU A 39 6.600 16.092 -4.784 1.00 0.00 C ATOM 611 CD GLU A 39 7.286 16.338 -3.454 1.00 0.00 C ATOM 612 OE1 GLU A 39 6.605 16.788 -2.508 1.00 0.00 O ATOM 613 OE2 GLU A 39 8.505 16.082 -3.358 1.00 0.00 O ATOM 0 H GLU A 39 4.847 12.517 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 39 5.114 15.181 -2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.761 13.965 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.371 14.652 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.325 16.210 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.830 16.848 -4.936 1.00 0.00 H new ATOM 620 N MET A 40 2.738 15.026 -3.782 1.00 0.00 N ATOM 621 CA MET A 40 1.341 14.891 -4.185 1.00 0.00 C ATOM 622 C MET A 40 1.230 14.702 -5.688 1.00 0.00 C ATOM 623 O MET A 40 0.312 14.040 -6.169 1.00 0.00 O ATOM 624 CB MET A 40 0.533 16.112 -3.744 1.00 0.00 C ATOM 625 CG MET A 40 0.617 16.391 -2.253 1.00 0.00 C ATOM 626 SD MET A 40 -0.529 17.677 -1.720 1.00 0.00 S ATOM 627 CE MET A 40 0.516 18.627 -0.618 1.00 0.00 C ATOM 0 H MET A 40 2.939 15.850 -3.215 1.00 0.00 H new ATOM 0 HA MET A 40 0.932 14.008 -3.695 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.886 16.987 -4.289 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.511 15.965 -4.019 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.408 15.473 -1.703 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.634 16.689 -2.000 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.052 19.461 -0.207 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.863 17.989 0.195 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.374 19.010 -1.170 1.00 0.00 H new ATOM 637 N ASP A 41 2.184 15.257 -6.433 1.00 0.00 N ATOM 638 CA ASP A 41 2.185 15.103 -7.880 1.00 0.00 C ATOM 639 C ASP A 41 2.070 13.623 -8.216 1.00 0.00 C ATOM 640 O ASP A 41 1.372 13.231 -9.150 1.00 0.00 O ATOM 641 CB ASP A 41 3.465 15.690 -8.484 1.00 0.00 C ATOM 642 CG ASP A 41 3.181 16.601 -9.663 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.194 16.347 -10.385 1.00 0.00 O ATOM 644 OD2 ASP A 41 3.947 17.567 -9.863 1.00 0.00 O ATOM 0 H ASP A 41 2.956 15.810 -6.061 1.00 0.00 H new ATOM 0 HA ASP A 41 1.338 15.643 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.003 16.248 -7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.118 14.878 -8.804 1.00 0.00 H new ATOM 649 N GLN A 42 2.744 12.808 -7.409 1.00 0.00 N ATOM 650 CA GLN A 42 2.713 11.363 -7.566 1.00 0.00 C ATOM 651 C GLN A 42 1.519 10.780 -6.816 1.00 0.00 C ATOM 652 O GLN A 42 0.914 9.800 -7.254 1.00 0.00 O ATOM 653 CB GLN A 42 4.012 10.744 -7.047 1.00 0.00 C ATOM 654 CG GLN A 42 5.265 11.383 -7.623 1.00 0.00 C ATOM 655 CD GLN A 42 6.356 10.371 -7.913 1.00 0.00 C ATOM 656 OE1 GLN A 42 6.215 9.186 -7.612 1.00 0.00 O ATOM 657 NE2 GLN A 42 7.453 10.835 -8.499 1.00 0.00 N ATOM 0 H GLN A 42 3.323 13.131 -6.634 1.00 0.00 H new ATOM 0 HA GLN A 42 2.614 11.129 -8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.037 10.831 -5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.016 9.680 -7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.010 11.910 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.643 12.128 -6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.527 11.825 -8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.222 10.201 -8.717 1.00 0.00 H new ATOM 666 N ILE A 43 1.188 11.389 -5.675 1.00 0.00 N ATOM 667 CA ILE A 43 0.071 10.930 -4.858 1.00 0.00 C ATOM 668 C ILE A 43 -1.251 11.046 -5.604 1.00 0.00 C ATOM 669 O ILE A 43 -1.988 10.071 -5.740 1.00 0.00 O ATOM 670 CB ILE A 43 -0.026 11.691 -3.518 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.358 11.828 -2.874 1.00 0.00 C ATOM 672 CG2 ILE A 43 -0.977 10.970 -2.572 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.335 12.508 -1.522 1.00 0.00 C ATOM 0 H ILE A 43 1.679 12.200 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 43 0.267 9.880 -4.641 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.415 12.690 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.798 10.837 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.006 12.393 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.037 11.516 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.967 10.915 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.608 9.962 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.350 12.569 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.925 13.513 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.714 11.933 -0.836 1.00 0.00 H new ATOM 685 N LEU A 44 -1.541 12.240 -6.089 1.00 0.00 N ATOM 686 CA LEU A 44 -2.777 12.488 -6.824 1.00 0.00 C ATOM 687 C LEU A 44 -2.817 11.673 -8.114 1.00 0.00 C ATOM 688 O LEU A 44 -3.881 11.218 -8.537 1.00 0.00 O ATOM 689 CB LEU A 44 -2.938 13.990 -7.114 1.00 0.00 C ATOM 690 CG LEU A 44 -2.529 14.466 -8.515 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.171 15.809 -8.826 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.015 14.562 -8.629 1.00 0.00 C ATOM 0 H LEU A 44 -0.939 13.057 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.615 12.169 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.982 14.258 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.351 14.544 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.881 13.735 -9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.872 16.133 -9.823 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.256 15.711 -8.787 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.846 16.546 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.746 14.901 -9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.639 15.272 -7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.574 13.582 -8.447 1.00 0.00 H new ATOM 704 N GLU A 45 -1.655 11.480 -8.731 1.00 0.00 N ATOM 705 CA GLU A 45 -1.570 10.708 -9.964 1.00 0.00 C ATOM 706 C GLU A 45 -2.088 9.293 -9.742 1.00 0.00 C ATOM 707 O GLU A 45 -2.524 8.625 -10.679 1.00 0.00 O ATOM 708 CB GLU A 45 -0.129 10.664 -10.472 1.00 0.00 C ATOM 709 CG GLU A 45 -0.019 10.516 -11.980 1.00 0.00 C ATOM 710 CD GLU A 45 0.499 9.153 -12.398 1.00 0.00 C ATOM 711 OE1 GLU A 45 0.312 8.187 -11.629 1.00 0.00 O ATOM 712 OE2 GLU A 45 1.089 9.052 -13.494 1.00 0.00 O ATOM 0 H GLU A 45 -0.763 11.846 -8.398 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.190 11.196 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.383 11.577 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.390 9.833 -9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.998 10.682 -12.430 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.645 11.288 -12.369 1.00 0.00 H new ATOM 719 N ALA A 46 -2.052 8.851 -8.489 1.00 0.00 N ATOM 720 CA ALA A 46 -2.534 7.528 -8.136 1.00 0.00 C ATOM 721 C ALA A 46 -4.051 7.504 -8.192 1.00 0.00 C ATOM 722 O ALA A 46 -4.655 6.516 -8.610 1.00 0.00 O ATOM 723 CB ALA A 46 -2.035 7.129 -6.754 1.00 0.00 C ATOM 0 H ALA A 46 -1.693 9.393 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.146 6.804 -8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.406 6.135 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.945 7.121 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.396 7.845 -6.016 1.00 0.00 H new ATOM 729 N GLY A 47 -4.666 8.615 -7.789 1.00 0.00 N ATOM 730 CA GLY A 47 -6.110 8.707 -7.825 1.00 0.00 C ATOM 731 C GLY A 47 -6.747 8.901 -6.460 1.00 0.00 C ATOM 732 O GLY A 47 -7.947 9.156 -6.371 1.00 0.00 O ATOM 0 H GLY A 47 -4.190 9.447 -7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.396 9.538 -8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.511 7.800 -8.277 1.00 0.00 H new ATOM 736 N LEU A 48 -5.961 8.780 -5.392 1.00 0.00 N ATOM 737 CA LEU A 48 -6.506 8.950 -4.048 1.00 0.00 C ATOM 738 C LEU A 48 -6.896 10.403 -3.789 1.00 0.00 C ATOM 739 O LEU A 48 -6.297 11.329 -4.334 1.00 0.00 O ATOM 740 CB LEU A 48 -5.522 8.466 -2.966 1.00 0.00 C ATOM 741 CG LEU A 48 -4.053 8.892 -3.109 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.256 7.840 -3.864 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.929 10.254 -3.776 1.00 0.00 C ATOM 0 H LEU A 48 -4.964 8.569 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.402 8.332 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.883 8.818 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.557 7.377 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.635 8.980 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.219 8.164 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.296 6.895 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.681 7.706 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.876 10.523 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.374 10.214 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.448 11.002 -3.176 1.00 0.00 H new ATOM 755 N THR A 49 -7.904 10.591 -2.944 1.00 0.00 N ATOM 756 CA THR A 49 -8.373 11.925 -2.595 1.00 0.00 C ATOM 757 C THR A 49 -7.737 12.388 -1.289 1.00 0.00 C ATOM 758 O THR A 49 -7.694 13.580 -0.989 1.00 0.00 O ATOM 759 CB THR A 49 -9.906 11.971 -2.458 1.00 0.00 C ATOM 760 OG1 THR A 49 -10.497 10.892 -3.193 1.00 0.00 O ATOM 761 CG2 THR A 49 -10.456 13.296 -2.964 1.00 0.00 C ATOM 0 H THR A 49 -8.412 9.834 -2.488 1.00 0.00 H new ATOM 0 HA THR A 49 -8.079 12.593 -3.405 1.00 0.00 H new ATOM 0 HB THR A 49 -10.156 11.871 -1.402 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.472 10.928 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.541 13.304 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.028 14.113 -2.384 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.194 13.421 -4.015 1.00 0.00 H new ATOM 769 N ALA A 50 -7.237 11.425 -0.526 1.00 0.00 N ATOM 770 CA ALA A 50 -6.585 11.702 0.745 1.00 0.00 C ATOM 771 C ALA A 50 -5.071 11.656 0.581 1.00 0.00 C ATOM 772 O ALA A 50 -4.568 11.538 -0.536 1.00 0.00 O ATOM 773 CB ALA A 50 -7.039 10.696 1.791 1.00 0.00 C ATOM 0 H ALA A 50 -7.272 10.435 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.865 12.702 1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.547 10.910 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.119 10.767 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.777 9.689 1.465 1.00 0.00 H new ATOM 779 N LEU A 51 -4.342 11.756 1.687 1.00 0.00 N ATOM 780 CA LEU A 51 -2.888 11.726 1.626 1.00 0.00 C ATOM 781 C LEU A 51 -2.352 10.297 1.668 1.00 0.00 C ATOM 782 O LEU A 51 -1.637 9.873 0.760 1.00 0.00 O ATOM 783 CB LEU A 51 -2.279 12.564 2.754 1.00 0.00 C ATOM 784 CG LEU A 51 -1.430 13.750 2.292 1.00 0.00 C ATOM 785 CD1 LEU A 51 -2.232 14.651 1.365 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.915 14.534 3.489 1.00 0.00 C ATOM 0 H LEU A 51 -4.729 11.857 2.625 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.592 12.162 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.086 12.938 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.662 11.915 3.376 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.573 13.366 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.612 15.489 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.551 14.083 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.108 15.028 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.313 15.374 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.759 14.907 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.304 13.883 4.114 1.00 0.00 H new ATOM 798 N PRO A 52 -2.685 9.528 2.718 1.00 0.00 N ATOM 799 CA PRO A 52 -2.226 8.140 2.860 1.00 0.00 C ATOM 800 C PRO A 52 -2.843 7.213 1.813 1.00 0.00 C ATOM 801 O PRO A 52 -3.499 6.229 2.154 1.00 0.00 O ATOM 802 CB PRO A 52 -2.694 7.739 4.269 1.00 0.00 C ATOM 803 CG PRO A 52 -3.066 9.018 4.942 1.00 0.00 C ATOM 804 CD PRO A 52 -3.525 9.937 3.849 1.00 0.00 C ATOM 0 HA PRO A 52 -1.148 8.058 2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.544 7.058 4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.903 7.224 4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.856 8.858 5.676 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.215 9.440 5.476 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.586 9.812 3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.374 10.985 4.109 1.00 0.00 H new ATOM 812 N GLY A 53 -2.628 7.527 0.537 1.00 0.00 N ATOM 813 CA GLY A 53 -3.171 6.704 -0.524 1.00 0.00 C ATOM 814 C GLY A 53 -2.414 5.404 -0.696 1.00 0.00 C ATOM 815 O GLY A 53 -1.207 5.342 -0.461 1.00 0.00 O ATOM 0 H GLY A 53 -2.089 8.334 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.217 6.486 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.146 7.261 -1.460 1.00 0.00 H new ATOM 819 N LEU A 54 -3.128 4.365 -1.108 1.00 0.00 N ATOM 820 CA LEU A 54 -2.527 3.055 -1.318 1.00 0.00 C ATOM 821 C LEU A 54 -3.054 2.437 -2.605 1.00 0.00 C ATOM 822 O LEU A 54 -4.159 1.895 -2.633 1.00 0.00 O ATOM 823 CB LEU A 54 -2.833 2.137 -0.130 1.00 0.00 C ATOM 824 CG LEU A 54 -2.212 0.738 -0.195 1.00 0.00 C ATOM 825 CD1 LEU A 54 -2.977 -0.145 -1.169 1.00 0.00 C ATOM 826 CD2 LEU A 54 -0.743 0.818 -0.586 1.00 0.00 C ATOM 0 H LEU A 54 -4.128 4.405 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.447 3.174 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.488 2.626 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.915 2.031 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.278 0.291 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.520 -1.134 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.013 -0.235 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.947 0.300 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.322 -0.187 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.652 1.289 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.202 1.409 0.153 1.00 0.00 H new ATOM 838 N ALA A 55 -2.268 2.523 -3.674 1.00 0.00 N ATOM 839 CA ALA A 55 -2.687 1.968 -4.952 1.00 0.00 C ATOM 840 C ALA A 55 -2.084 0.591 -5.178 1.00 0.00 C ATOM 841 O ALA A 55 -0.866 0.429 -5.224 1.00 0.00 O ATOM 842 CB ALA A 55 -2.309 2.900 -6.090 1.00 0.00 C ATOM 0 H ALA A 55 -1.349 2.966 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.772 1.864 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.631 2.467 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.796 3.864 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.228 3.038 -6.103 1.00 0.00 H new ATOM 848 N VAL A 56 -2.955 -0.397 -5.322 1.00 0.00 N ATOM 849 CA VAL A 56 -2.529 -1.769 -5.547 1.00 0.00 C ATOM 850 C VAL A 56 -2.963 -2.252 -6.917 1.00 0.00 C ATOM 851 O VAL A 56 -4.075 -1.971 -7.365 1.00 0.00 O ATOM 852 CB VAL A 56 -3.079 -2.727 -4.477 1.00 0.00 C ATOM 853 CG1 VAL A 56 -2.065 -2.890 -3.363 1.00 0.00 C ATOM 854 CG2 VAL A 56 -4.415 -2.234 -3.934 1.00 0.00 C ATOM 0 H VAL A 56 -3.967 -0.272 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.441 -1.771 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.253 -3.700 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.460 -3.570 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.140 -3.298 -3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.865 -1.920 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.780 -2.931 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.284 -1.249 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.137 -2.169 -4.748 1.00 0.00 H new ATOM 864 N ASP A 57 -2.072 -2.973 -7.585 1.00 0.00 N ATOM 865 CA ASP A 57 -2.353 -3.488 -8.922 1.00 0.00 C ATOM 866 C ASP A 57 -2.942 -2.389 -9.806 1.00 0.00 C ATOM 867 O ASP A 57 -3.697 -2.664 -10.738 1.00 0.00 O ATOM 868 CB ASP A 57 -3.324 -4.670 -8.847 1.00 0.00 C ATOM 869 CG ASP A 57 -3.351 -5.477 -10.132 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.264 -5.831 -10.634 1.00 0.00 O ATOM 871 OD2 ASP A 57 -4.460 -5.756 -10.633 1.00 0.00 O ATOM 0 H ASP A 57 -1.149 -3.215 -7.225 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.415 -3.828 -9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.039 -5.319 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.327 -4.300 -8.632 1.00 0.00 H new ATOM 876 N GLY A 58 -2.597 -1.141 -9.494 1.00 0.00 N ATOM 877 CA GLY A 58 -3.105 -0.016 -10.255 1.00 0.00 C ATOM 878 C GLY A 58 -4.551 0.295 -9.925 1.00 0.00 C ATOM 879 O GLY A 58 -5.323 0.689 -10.800 1.00 0.00 O ATOM 0 H GLY A 58 -1.974 -0.891 -8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.492 0.862 -10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.016 -0.230 -11.320 1.00 0.00 H new ATOM 883 N GLU A 59 -4.921 0.115 -8.661 1.00 0.00 N ATOM 884 CA GLU A 59 -6.287 0.376 -8.223 1.00 0.00 C ATOM 885 C GLU A 59 -6.322 0.854 -6.773 1.00 0.00 C ATOM 886 O GLU A 59 -6.233 0.054 -5.842 1.00 0.00 O ATOM 887 CB GLU A 59 -7.141 -0.885 -8.378 1.00 0.00 C ATOM 888 CG GLU A 59 -8.488 -0.630 -9.035 1.00 0.00 C ATOM 889 CD GLU A 59 -9.427 -1.814 -8.918 1.00 0.00 C ATOM 890 OE1 GLU A 59 -8.931 -2.956 -8.809 1.00 0.00 O ATOM 891 OE2 GLU A 59 -10.657 -1.601 -8.936 1.00 0.00 O ATOM 0 H GLU A 59 -4.295 -0.210 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.696 1.167 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.590 -1.616 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.303 -1.327 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.952 0.244 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.336 -0.395 -10.088 1.00 0.00 H new ATOM 898 N LEU A 60 -6.460 2.166 -6.592 1.00 0.00 N ATOM 899 CA LEU A 60 -6.517 2.759 -5.256 1.00 0.00 C ATOM 900 C LEU A 60 -7.493 2.000 -4.363 1.00 0.00 C ATOM 901 O LEU A 60 -8.635 1.749 -4.750 1.00 0.00 O ATOM 902 CB LEU A 60 -6.932 4.234 -5.339 1.00 0.00 C ATOM 903 CG LEU A 60 -6.169 5.089 -6.359 1.00 0.00 C ATOM 904 CD1 LEU A 60 -4.742 4.589 -6.533 1.00 0.00 C ATOM 905 CD2 LEU A 60 -6.901 5.106 -7.695 1.00 0.00 C ATOM 0 H LEU A 60 -6.535 2.840 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.521 2.692 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.994 4.279 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.808 4.682 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.122 6.109 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.224 5.213 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.220 4.638 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.758 3.558 -6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.346 5.717 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.984 4.089 -8.078 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.898 5.524 -7.558 1.00 0.00 H new ATOM 917 N LYS A 61 -7.035 1.626 -3.172 1.00 0.00 N ATOM 918 CA LYS A 61 -7.875 0.883 -2.239 1.00 0.00 C ATOM 919 C LYS A 61 -7.885 1.512 -0.845 1.00 0.00 C ATOM 920 O LYS A 61 -8.720 1.155 -0.013 1.00 0.00 O ATOM 921 CB LYS A 61 -7.400 -0.568 -2.145 1.00 0.00 C ATOM 922 CG LYS A 61 -8.399 -1.492 -1.467 1.00 0.00 C ATOM 923 CD LYS A 61 -8.143 -2.950 -1.816 1.00 0.00 C ATOM 924 CE LYS A 61 -9.316 -3.561 -2.566 1.00 0.00 C ATOM 925 NZ LYS A 61 -9.582 -2.860 -3.852 1.00 0.00 N ATOM 0 H LYS A 61 -6.094 1.823 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.894 0.915 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.196 -0.941 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.459 -0.599 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.341 -1.361 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.410 -1.218 -1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.242 -3.026 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.960 -3.516 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.112 -4.614 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.207 -3.520 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.135 -3.480 -4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.118 -1.988 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.680 -2.621 -4.310 1.00 0.00 H new ATOM 939 N ILE A 62 -6.966 2.440 -0.579 1.00 0.00 N ATOM 940 CA ILE A 62 -6.911 3.082 0.733 1.00 0.00 C ATOM 941 C ILE A 62 -6.623 4.574 0.620 1.00 0.00 C ATOM 942 O ILE A 62 -5.757 4.991 -0.145 1.00 0.00 O ATOM 943 CB ILE A 62 -5.843 2.437 1.639 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.776 0.923 1.409 1.00 0.00 C ATOM 945 CG2 ILE A 62 -6.142 2.742 3.099 1.00 0.00 C ATOM 946 CD1 ILE A 62 -7.008 0.182 1.880 1.00 0.00 C ATOM 0 H ILE A 62 -6.260 2.760 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.895 2.940 1.181 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.872 2.861 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.632 0.732 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.903 0.524 1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.382 2.282 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.137 3.821 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.122 2.342 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.888 -0.884 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.142 0.342 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.882 0.553 1.345 1.00 0.00 H new ATOM 958 N MET A 63 -7.359 5.374 1.389 1.00 0.00 N ATOM 959 CA MET A 63 -7.184 6.822 1.376 1.00 0.00 C ATOM 960 C MET A 63 -7.440 7.429 2.752 1.00 0.00 C ATOM 961 O MET A 63 -8.440 7.119 3.399 1.00 0.00 O ATOM 962 CB MET A 63 -8.126 7.452 0.353 1.00 0.00 C ATOM 963 CG MET A 63 -7.574 7.433 -1.058 1.00 0.00 C ATOM 964 SD MET A 63 -8.445 6.281 -2.138 1.00 0.00 S ATOM 965 CE MET A 63 -9.924 7.219 -2.512 1.00 0.00 C ATOM 0 H MET A 63 -8.082 5.043 2.028 1.00 0.00 H new ATOM 0 HA MET A 63 -6.150 7.030 1.101 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.078 6.922 0.371 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.330 8.483 0.643 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.636 8.436 -1.480 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.518 7.165 -1.026 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.582 6.623 -3.144 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.440 7.470 -1.585 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.651 8.136 -3.034 1.00 0.00 H new ATOM 975 N GLY A 64 -6.541 8.311 3.191 1.00 0.00 N ATOM 976 CA GLY A 64 -6.715 8.955 4.484 1.00 0.00 C ATOM 977 C GLY A 64 -6.218 8.114 5.644 1.00 0.00 C ATOM 978 O GLY A 64 -6.195 8.575 6.786 1.00 0.00 O ATOM 0 H GLY A 64 -5.703 8.589 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.186 9.908 4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.772 9.178 4.632 1.00 0.00 H new ATOM 982 N ARG A 65 -5.822 6.880 5.356 1.00 0.00 N ATOM 983 CA ARG A 65 -5.325 5.972 6.386 1.00 0.00 C ATOM 984 C ARG A 65 -5.098 4.584 5.803 1.00 0.00 C ATOM 985 O ARG A 65 -6.049 3.835 5.579 1.00 0.00 O ATOM 986 CB ARG A 65 -6.314 5.892 7.556 1.00 0.00 C ATOM 987 CG ARG A 65 -5.693 6.230 8.902 1.00 0.00 C ATOM 988 CD ARG A 65 -6.704 6.873 9.836 1.00 0.00 C ATOM 989 NE ARG A 65 -7.991 6.181 9.815 1.00 0.00 N ATOM 990 CZ ARG A 65 -8.199 4.985 10.359 1.00 0.00 C ATOM 991 NH1 ARG A 65 -7.209 4.345 10.971 1.00 0.00 N ATOM 992 NH2 ARG A 65 -9.400 4.427 10.292 1.00 0.00 N ATOM 0 H ARG A 65 -5.835 6.483 4.416 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.376 6.360 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.144 6.573 7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.731 4.886 7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.299 5.323 9.360 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.850 6.906 8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.309 6.873 10.852 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.849 7.915 9.551 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.776 6.642 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.284 4.770 11.026 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.374 3.428 11.386 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.164 4.915 9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.560 3.510 10.709 1.00 0.00 H new ATOM 1006 N VAL A 66 -3.837 4.246 5.551 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.496 2.948 4.984 1.00 0.00 C ATOM 1008 C VAL A 66 -4.193 1.813 5.734 1.00 0.00 C ATOM 1009 O VAL A 66 -4.563 1.963 6.900 1.00 0.00 O ATOM 1010 CB VAL A 66 -1.970 2.713 4.993 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.461 2.438 6.402 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.604 1.575 4.053 1.00 0.00 C ATOM 0 H VAL A 66 -3.037 4.852 5.730 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.844 2.952 3.951 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.485 3.623 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.383 2.277 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.684 3.291 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.951 1.549 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.525 1.421 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.106 0.662 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.919 1.825 3.040 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.375 0.684 5.059 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.033 -0.470 5.663 1.00 0.00 C ATOM 1024 C ALA A 67 -4.225 -1.012 6.838 1.00 0.00 C ATOM 1025 O ALA A 67 -3.152 -0.501 7.156 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.252 -1.557 4.619 1.00 0.00 C ATOM 0 H ALA A 67 -4.077 0.542 4.094 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.002 -0.148 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.744 -2.413 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.879 -1.169 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.291 -1.868 4.211 1.00 0.00 H new ATOM 1032 N SER A 68 -4.751 -2.053 7.479 1.00 0.00 N ATOM 1033 CA SER A 68 -4.081 -2.668 8.620 1.00 0.00 C ATOM 1034 C SER A 68 -3.555 -4.055 8.263 1.00 0.00 C ATOM 1035 O SER A 68 -3.875 -4.598 7.206 1.00 0.00 O ATOM 1036 CB SER A 68 -5.040 -2.764 9.808 1.00 0.00 C ATOM 1037 OG SER A 68 -5.408 -1.477 10.273 1.00 0.00 O ATOM 0 H SER A 68 -5.639 -2.488 7.227 1.00 0.00 H new ATOM 0 HA SER A 68 -3.234 -2.039 8.894 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.932 -3.317 9.515 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.569 -3.325 10.615 1.00 0.00 H new ATOM 0 HG SER A 68 -6.022 -1.566 11.031 1.00 0.00 H new ATOM 1043 N LYS A 69 -2.744 -4.622 9.150 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.168 -5.946 8.930 1.00 0.00 C ATOM 1045 C LYS A 69 -3.258 -6.999 8.740 1.00 0.00 C ATOM 1046 O LYS A 69 -3.180 -7.829 7.835 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.271 -6.335 10.107 1.00 0.00 C ATOM 1048 CG LYS A 69 -0.599 -7.689 9.939 1.00 0.00 C ATOM 1049 CD LYS A 69 0.287 -8.021 11.128 1.00 0.00 C ATOM 1050 CE LYS A 69 0.748 -9.469 11.092 1.00 0.00 C ATOM 1051 NZ LYS A 69 -0.293 -10.398 11.610 1.00 0.00 N ATOM 0 H LYS A 69 -2.470 -4.185 10.030 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.571 -5.904 8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.504 -5.572 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.867 -6.345 11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.359 -8.462 9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.002 -7.690 9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.155 -7.362 11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.259 -7.835 12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.002 -9.743 10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.656 -9.575 11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.062 -11.375 11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.517 -10.153 12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.152 -10.316 11.029 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.267 -6.966 9.601 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.366 -7.921 9.526 1.00 0.00 C ATOM 1067 C GLU A 70 -6.279 -7.614 8.343 1.00 0.00 C ATOM 1068 O GLU A 70 -6.900 -8.512 7.775 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.173 -7.905 10.825 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.297 -8.928 10.857 1.00 0.00 C ATOM 1071 CD GLU A 70 -8.458 -8.491 11.727 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.577 -7.276 11.992 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -9.249 -9.363 12.143 1.00 0.00 O ATOM 0 H GLU A 70 -4.347 -6.289 10.359 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.940 -8.914 9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.501 -8.090 11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.595 -6.910 10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.654 -9.102 9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.909 -9.877 11.226 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.363 -6.338 7.980 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.207 -5.910 6.871 1.00 0.00 C ATOM 1082 C GLU A 71 -6.603 -6.308 5.526 1.00 0.00 C ATOM 1083 O GLU A 71 -7.299 -6.833 4.655 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.419 -4.395 6.922 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.838 -3.993 7.290 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.173 -4.297 8.737 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -8.238 -4.373 9.560 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.373 -4.460 9.047 1.00 0.00 O ATOM 0 H GLU A 71 -5.856 -5.581 8.439 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.170 -6.412 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.728 -3.964 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.169 -3.968 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.969 -2.926 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.540 -4.516 6.641 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.311 -6.050 5.356 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.626 -6.379 4.110 1.00 0.00 C ATOM 1097 C ILE A 72 -4.657 -7.882 3.845 1.00 0.00 C ATOM 1098 O ILE A 72 -4.954 -8.318 2.733 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.163 -5.875 4.118 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -2.592 -5.863 2.696 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.296 -6.719 5.043 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -2.341 -7.243 2.122 1.00 0.00 C ATOM 0 H ILE A 72 -4.718 -5.615 6.063 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.160 -5.871 3.307 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.159 -4.854 4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.282 -5.329 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.656 -5.305 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.274 -6.341 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.688 -6.665 6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.305 -7.755 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.937 -7.150 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.627 -7.774 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.278 -7.799 2.088 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.352 -8.669 4.872 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.350 -10.121 4.744 1.00 0.00 C ATOM 1116 C LYS A 73 -5.753 -10.641 4.450 1.00 0.00 C ATOM 1117 O LYS A 73 -5.924 -11.637 3.748 1.00 0.00 O ATOM 1118 CB LYS A 73 -3.809 -10.766 6.022 1.00 0.00 C ATOM 1119 CG LYS A 73 -2.941 -11.987 5.767 1.00 0.00 C ATOM 1120 CD LYS A 73 -3.494 -13.224 6.455 1.00 0.00 C ATOM 1121 CE LYS A 73 -2.795 -14.488 5.980 1.00 0.00 C ATOM 1122 NZ LYS A 73 -3.589 -15.207 4.946 1.00 0.00 N ATOM 0 H LYS A 73 -4.104 -8.326 5.800 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.701 -10.388 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.229 -10.027 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.647 -11.053 6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.873 -12.167 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.929 -11.795 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.375 -13.125 7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.563 -13.303 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.817 -14.231 5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.623 -15.149 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.028 -15.995 4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.461 -15.578 5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.833 -14.551 4.177 1.00 0.00 H new ATOM 1136 N LYS A 74 -6.754 -9.956 4.992 1.00 0.00 N ATOM 1137 CA LYS A 74 -8.146 -10.342 4.788 1.00 0.00 C ATOM 1138 C LYS A 74 -8.608 -9.987 3.379 1.00 0.00 C ATOM 1139 O LYS A 74 -9.492 -10.639 2.823 1.00 0.00 O ATOM 1140 CB LYS A 74 -9.043 -9.657 5.820 1.00 0.00 C ATOM 1141 CG LYS A 74 -9.213 -10.454 7.104 1.00 0.00 C ATOM 1142 CD LYS A 74 -10.625 -10.328 7.657 1.00 0.00 C ATOM 1143 CE LYS A 74 -11.403 -11.627 7.510 1.00 0.00 C ATOM 1144 NZ LYS A 74 -12.346 -11.581 6.359 1.00 0.00 N ATOM 0 H LYS A 74 -6.627 -9.130 5.577 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.220 -11.422 4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.624 -8.680 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.024 -9.483 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.988 -11.504 6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.497 -10.104 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.580 -10.047 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.150 -9.528 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.706 -12.454 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.958 -11.823 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.857 -12.484 6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.027 -10.807 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.814 -11.419 5.480 1.00 0.00 H new ATOM 1158 N ILE A 75 -7.999 -8.956 2.803 1.00 0.00 N ATOM 1159 CA ILE A 75 -8.342 -8.521 1.457 1.00 0.00 C ATOM 1160 C ILE A 75 -7.747 -9.475 0.429 1.00 0.00 C ATOM 1161 O ILE A 75 -8.347 -9.740 -0.612 1.00 0.00 O ATOM 1162 CB ILE A 75 -7.845 -7.080 1.188 1.00 0.00 C ATOM 1163 CG1 ILE A 75 -8.804 -6.062 1.811 1.00 0.00 C ATOM 1164 CG2 ILE A 75 -7.701 -6.819 -0.308 1.00 0.00 C ATOM 1165 CD1 ILE A 75 -10.188 -6.083 1.202 1.00 0.00 C ATOM 0 H ILE A 75 -7.265 -8.406 3.249 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.428 -8.528 1.370 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.863 -6.971 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.884 -6.257 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.382 -5.063 1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.350 -5.799 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.982 -7.520 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.667 -6.951 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.813 -5.336 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.121 -5.857 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.630 -7.070 1.336 1.00 0.00 H new ATOM 1177 N LEU A 76 -6.560 -9.984 0.735 1.00 0.00 N ATOM 1178 CA LEU A 76 -5.874 -10.907 -0.158 1.00 0.00 C ATOM 1179 C LEU A 76 -6.487 -12.302 -0.072 1.00 0.00 C ATOM 1180 O LEU A 76 -6.535 -13.031 -1.063 1.00 0.00 O ATOM 1181 CB LEU A 76 -4.382 -10.964 0.178 1.00 0.00 C ATOM 1182 CG LEU A 76 -3.444 -10.731 -1.007 1.00 0.00 C ATOM 1183 CD1 LEU A 76 -2.037 -10.420 -0.521 1.00 0.00 C ATOM 1184 CD2 LEU A 76 -3.436 -11.945 -1.924 1.00 0.00 C ATOM 0 H LEU A 76 -6.053 -9.773 1.595 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.991 -10.543 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.168 -10.218 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.160 -11.939 0.612 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.809 -9.873 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.384 -10.257 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.056 -9.522 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.662 -11.257 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.764 -11.763 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.095 -12.819 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.444 -12.124 -2.299 1.00 0.00 H new ATOM 1196 N SER A 77 -6.953 -12.667 1.118 1.00 0.00 N ATOM 1197 CA SER A 77 -7.561 -13.975 1.332 1.00 0.00 C ATOM 1198 C SER A 77 -8.771 -13.866 2.255 1.00 0.00 C ATOM 1199 O SER A 77 -9.903 -13.779 1.738 1.00 0.00 O ATOM 1200 CB SER A 77 -6.538 -14.946 1.925 1.00 0.00 C ATOM 1201 OG SER A 77 -6.765 -16.267 1.466 1.00 0.00 O ATOM 1202 OXT SER A 77 -8.575 -13.869 3.489 1.00 0.00 O ATOM 0 H SER A 77 -6.921 -12.076 1.948 1.00 0.00 H new ATOM 0 HA SER A 77 -7.895 -14.356 0.367 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.531 -14.630 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.596 -14.921 3.013 1.00 0.00 H new ATOM 0 HG SER A 77 -6.098 -16.869 1.857 1.00 0.00 H new TER 1208 SER A 77