USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ 177:sc= 0 (180deg=-0.01) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 131:sc= -0.0554 USER MOD Single : A 8 ASN : amide:sc= -1.58! C(o=-1.6!,f=-4.8!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.455 F(o=-2.7,f=-0.46) USER MOD Single : A 15 THR OG1 : rot 102:sc= 0.178 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0637 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 171:sc= -9.48! (180deg=-9.99!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -3.51! C(o=-3.5!,f=-4.8!) USER MOD Single : A 43 MET CE :methyl -179:sc= -2.86 (180deg=-2.92) USER MOD Single : A 44 GLN : amide:sc= -0.295 K(o=-0.29,f=-2.2!) USER MOD Single : A 46 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.7!) USER MOD Single : A 53 THR OG1 : rot 90:sc= -2.53! USER MOD Single : A 54 THR OG1 : rot -150:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -157:sc= -0.346 (180deg=-0.986) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.31! C(o=-2.3!,f=-2!) USER MOD Single : A 63 TYR OH : rot 180:sc=-0.00197 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 58:sc= 0.714 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -7.794 13.347 -8.826 1.00 0.00 N ATOM 2 CA ASN A 1 -8.777 12.435 -8.175 1.00 0.00 C ATOM 3 C ASN A 1 -8.436 10.977 -8.488 1.00 0.00 C ATOM 4 O ASN A 1 -9.299 10.180 -8.793 1.00 0.00 O ATOM 5 CB ASN A 1 -10.129 12.812 -8.781 1.00 0.00 C ATOM 6 CG ASN A 1 -10.741 13.966 -7.987 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.730 15.098 -8.430 1.00 0.00 O ATOM 8 ND2 ASN A 1 -11.277 13.728 -6.822 1.00 0.00 N ATOM 0 H1 ASN A 1 -8.066 14.335 -8.648 1.00 0.00 H new ATOM 0 H2 ASN A 1 -6.846 13.173 -8.434 1.00 0.00 H new ATOM 0 H3 ASN A 1 -7.783 13.171 -9.851 1.00 0.00 H new ATOM 0 HA ASN A 1 -8.775 12.534 -7.090 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -10.004 13.101 -9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -10.798 11.952 -8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -11.686 14.491 -6.283 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -11.287 12.779 -6.449 1.00 0.00 H new ATOM 17 N LYS A 2 -7.182 10.623 -8.418 1.00 0.00 N ATOM 18 CA LYS A 2 -6.788 9.216 -8.713 1.00 0.00 C ATOM 19 C LYS A 2 -6.740 8.398 -7.420 1.00 0.00 C ATOM 20 O LYS A 2 -6.337 8.885 -6.382 1.00 0.00 O ATOM 21 CB LYS A 2 -5.395 9.317 -9.337 1.00 0.00 C ATOM 22 CG LYS A 2 -5.512 9.259 -10.861 1.00 0.00 C ATOM 23 CD LYS A 2 -4.348 8.447 -11.433 1.00 0.00 C ATOM 24 CE LYS A 2 -3.064 9.278 -11.365 1.00 0.00 C ATOM 25 NZ LYS A 2 -2.273 8.860 -12.555 1.00 0.00 N ATOM 0 H LYS A 2 -6.414 11.246 -8.170 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.496 8.719 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.916 10.248 -9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.765 8.503 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.461 8.805 -11.146 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.504 10.267 -11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.225 7.522 -10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.558 8.167 -12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.283 10.346 -11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.518 9.087 -10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.377 9.387 -12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.074 7.841 -12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.815 9.060 -13.420 1.00 0.00 H new ATOM 39 N ALA A 3 -7.148 7.160 -7.474 1.00 0.00 N ATOM 40 CA ALA A 3 -7.125 6.315 -6.246 1.00 0.00 C ATOM 41 C ALA A 3 -5.683 5.958 -5.877 1.00 0.00 C ATOM 42 O ALA A 3 -4.934 5.446 -6.684 1.00 0.00 O ATOM 43 CB ALA A 3 -7.911 5.057 -6.618 1.00 0.00 C ATOM 0 H ALA A 3 -7.496 6.697 -8.314 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.556 6.825 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.941 4.381 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.928 5.333 -6.898 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.426 4.560 -7.458 1.00 0.00 H new ATOM 49 N SER A 4 -5.288 6.226 -4.661 1.00 0.00 N ATOM 50 CA SER A 4 -3.894 5.903 -4.242 1.00 0.00 C ATOM 51 C SER A 4 -3.855 4.546 -3.535 1.00 0.00 C ATOM 52 O SER A 4 -4.860 3.874 -3.403 1.00 0.00 O ATOM 53 CB SER A 4 -3.502 7.021 -3.278 1.00 0.00 C ATOM 54 OG SER A 4 -2.084 7.115 -3.220 1.00 0.00 O ATOM 0 H SER A 4 -5.870 6.654 -3.941 1.00 0.00 H new ATOM 0 HA SER A 4 -3.212 5.838 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.928 7.968 -3.609 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.906 6.820 -2.286 1.00 0.00 H new ATOM 0 HG SER A 4 -1.813 8.050 -3.336 1.00 0.00 H new ATOM 60 N VAL A 5 -2.703 4.136 -3.080 1.00 0.00 N ATOM 61 CA VAL A 5 -2.599 2.823 -2.382 1.00 0.00 C ATOM 62 C VAL A 5 -2.848 2.999 -0.881 1.00 0.00 C ATOM 63 O VAL A 5 -2.139 3.719 -0.206 1.00 0.00 O ATOM 64 CB VAL A 5 -1.169 2.352 -2.638 1.00 0.00 C ATOM 65 CG1 VAL A 5 -0.890 1.094 -1.815 1.00 0.00 C ATOM 66 CG2 VAL A 5 -0.997 2.035 -4.125 1.00 0.00 C ATOM 0 H VAL A 5 -1.828 4.654 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.335 2.104 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.471 3.137 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.131 0.758 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.014 1.318 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.588 0.308 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.023 1.699 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.696 1.249 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.196 2.931 -4.713 1.00 0.00 H new ATOM 76 N VAL A 6 -3.848 2.349 -0.354 1.00 0.00 N ATOM 77 CA VAL A 6 -4.137 2.482 1.104 1.00 0.00 C ATOM 78 C VAL A 6 -4.211 1.098 1.756 1.00 0.00 C ATOM 79 O VAL A 6 -5.204 0.405 1.652 1.00 0.00 O ATOM 80 CB VAL A 6 -5.495 3.184 1.181 1.00 0.00 C ATOM 81 CG1 VAL A 6 -5.703 3.741 2.591 1.00 0.00 C ATOM 82 CG2 VAL A 6 -5.539 4.333 0.170 1.00 0.00 C ATOM 0 H VAL A 6 -4.477 1.732 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.361 3.040 1.628 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.284 2.468 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.670 4.241 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.675 2.924 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.912 4.455 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.507 4.831 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.749 5.048 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.393 3.939 -0.836 1.00 0.00 H new ATOM 92 N ALA A 7 -3.168 0.691 2.427 1.00 0.00 N ATOM 93 CA ALA A 7 -3.181 -0.647 3.085 1.00 0.00 C ATOM 94 C ALA A 7 -4.487 -0.839 3.862 1.00 0.00 C ATOM 95 O ALA A 7 -4.768 -0.128 4.806 1.00 0.00 O ATOM 96 CB ALA A 7 -1.986 -0.632 4.038 1.00 0.00 C ATOM 0 H ALA A 7 -2.308 1.226 2.548 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.116 -1.463 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.927 -1.586 4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.070 -0.473 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.108 0.173 4.762 1.00 0.00 H new ATOM 102 N ASN A 8 -5.286 -1.794 3.472 1.00 0.00 N ATOM 103 CA ASN A 8 -6.572 -2.029 4.188 1.00 0.00 C ATOM 104 C ASN A 8 -6.324 -2.819 5.476 1.00 0.00 C ATOM 105 O ASN A 8 -6.562 -2.337 6.566 1.00 0.00 O ATOM 106 CB ASN A 8 -7.424 -2.842 3.214 1.00 0.00 C ATOM 107 CG ASN A 8 -8.552 -1.965 2.665 1.00 0.00 C ATOM 108 OD1 ASN A 8 -8.585 -1.663 1.490 1.00 0.00 O ATOM 109 ND2 ASN A 8 -9.484 -1.541 3.475 1.00 0.00 N ATOM 0 H ASN A 8 -5.104 -2.422 2.689 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.060 -1.098 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.806 -3.212 2.396 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.840 -3.714 3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.240 -0.956 3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.456 -1.795 4.462 1.00 0.00 H new ATOM 116 N GLN A 9 -5.851 -4.029 5.359 1.00 0.00 N ATOM 117 CA GLN A 9 -5.592 -4.849 6.578 1.00 0.00 C ATOM 118 C GLN A 9 -4.324 -4.362 7.287 1.00 0.00 C ATOM 119 O GLN A 9 -3.313 -4.103 6.664 1.00 0.00 O ATOM 120 CB GLN A 9 -5.401 -6.276 6.060 1.00 0.00 C ATOM 121 CG GLN A 9 -4.770 -7.137 7.156 1.00 0.00 C ATOM 122 CD GLN A 9 -5.566 -8.436 7.306 1.00 0.00 C ATOM 123 OE1 GLN A 9 -5.404 -9.354 6.527 1.00 0.00 O ATOM 124 NE2 GLN A 9 -6.426 -8.549 8.281 1.00 0.00 N ATOM 0 H GLN A 9 -5.633 -4.486 4.474 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.405 -4.781 7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.361 -6.697 5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.764 -6.271 5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.733 -7.360 6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.760 -6.593 8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.561 -7.777 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.963 -9.409 8.390 1.00 0.00 H new ATOM 133 N LEU A 10 -4.370 -4.237 8.586 1.00 0.00 N ATOM 134 CA LEU A 10 -3.166 -3.769 9.333 1.00 0.00 C ATOM 135 C LEU A 10 -2.002 -4.737 9.115 1.00 0.00 C ATOM 136 O LEU A 10 -2.184 -5.937 9.052 1.00 0.00 O ATOM 137 CB LEU A 10 -3.590 -3.762 10.803 1.00 0.00 C ATOM 138 CG LEU A 10 -2.363 -3.546 11.687 1.00 0.00 C ATOM 139 CD1 LEU A 10 -2.773 -2.795 12.955 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.767 -4.902 12.070 1.00 0.00 C ATOM 0 H LEU A 10 -5.188 -4.438 9.162 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.829 -2.787 9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.321 -2.972 10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.073 -4.705 11.058 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.621 -2.962 11.142 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.897 -2.641 13.586 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.200 -1.829 12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.515 -3.379 13.500 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.891 -4.749 12.701 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.510 -5.485 12.615 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.475 -5.439 11.168 1.00 0.00 H new ATOM 152 N ILE A 11 -0.805 -4.229 8.995 1.00 0.00 N ATOM 153 CA ILE A 11 0.365 -5.127 8.776 1.00 0.00 C ATOM 154 C ILE A 11 1.490 -4.796 9.762 1.00 0.00 C ATOM 155 O ILE A 11 2.040 -3.712 9.733 1.00 0.00 O ATOM 156 CB ILE A 11 0.814 -4.845 7.342 1.00 0.00 C ATOM 157 CG1 ILE A 11 1.045 -3.342 7.166 1.00 0.00 C ATOM 158 CG2 ILE A 11 -0.268 -5.311 6.367 1.00 0.00 C ATOM 159 CD1 ILE A 11 2.466 -3.099 6.652 1.00 0.00 C ATOM 0 H ILE A 11 -0.587 -3.234 9.039 1.00 0.00 H new ATOM 0 HA ILE A 11 0.111 -6.176 8.930 1.00 0.00 H new ATOM 0 HB ILE A 11 1.741 -5.382 7.140 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.318 -2.932 6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.898 -2.827 8.115 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.052 -5.110 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.434 -6.381 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.195 -4.775 6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.630 -2.029 6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.185 -3.495 7.369 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.597 -3.600 5.693 1.00 0.00 H new ATOM 171 N PRO A 12 1.801 -5.748 10.602 1.00 0.00 N ATOM 172 CA PRO A 12 2.878 -5.559 11.602 1.00 0.00 C ATOM 173 C PRO A 12 4.247 -5.615 10.918 1.00 0.00 C ATOM 174 O PRO A 12 5.071 -6.450 11.230 1.00 0.00 O ATOM 175 CB PRO A 12 2.698 -6.737 12.553 1.00 0.00 C ATOM 176 CG PRO A 12 2.007 -7.788 11.742 1.00 0.00 C ATOM 177 CD PRO A 12 1.184 -7.076 10.698 1.00 0.00 C ATOM 0 HA PRO A 12 2.828 -4.597 12.113 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.658 -7.094 12.925 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.104 -6.455 13.422 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.733 -8.451 11.273 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.372 -8.408 12.376 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.213 -7.599 9.742 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.137 -7.009 10.993 1.00 0.00 H new ATOM 185 N ILE A 13 4.485 -4.732 9.983 1.00 0.00 N ATOM 186 CA ILE A 13 5.792 -4.722 9.259 1.00 0.00 C ATOM 187 C ILE A 13 6.259 -6.150 8.964 1.00 0.00 C ATOM 188 O ILE A 13 5.500 -7.096 9.059 1.00 0.00 O ATOM 189 CB ILE A 13 6.771 -4.010 10.197 1.00 0.00 C ATOM 190 CG1 ILE A 13 7.076 -4.893 11.409 1.00 0.00 C ATOM 191 CG2 ILE A 13 6.153 -2.694 10.670 1.00 0.00 C ATOM 192 CD1 ILE A 13 8.380 -4.432 12.060 1.00 0.00 C ATOM 0 H ILE A 13 3.825 -4.012 9.688 1.00 0.00 H new ATOM 0 HA ILE A 13 5.718 -4.217 8.296 1.00 0.00 H new ATOM 0 HB ILE A 13 7.698 -3.811 9.660 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.259 -4.837 12.128 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.159 -5.935 11.101 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.848 -2.185 11.338 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.946 -2.059 9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.223 -2.899 11.201 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.598 -5.061 12.923 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.194 -4.511 11.339 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.279 -3.396 12.382 1.00 0.00 H new ATOM 204 N ASN A 14 7.503 -6.311 8.599 1.00 0.00 N ATOM 205 CA ASN A 14 8.028 -7.674 8.291 1.00 0.00 C ATOM 206 C ASN A 14 6.987 -8.486 7.513 1.00 0.00 C ATOM 207 O ASN A 14 6.713 -9.626 7.831 1.00 0.00 O ATOM 208 CB ASN A 14 8.297 -8.310 9.655 1.00 0.00 C ATOM 209 CG ASN A 14 9.633 -7.804 10.201 1.00 0.00 C ATOM 210 OD1 ASN A 14 9.839 -6.520 10.305 1.00 0.00 O flip ATOM 211 ND2 ASN A 14 10.501 -8.587 10.536 1.00 0.00 N flip ATOM 0 H ASN A 14 8.181 -5.555 8.500 1.00 0.00 H new ATOM 0 HA ASN A 14 8.924 -7.640 7.672 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.492 -8.063 10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.317 -9.396 9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.341 -9.591 10.455 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.389 -8.240 10.898 1.00 0.00 H new ATOM 218 N THR A 15 6.404 -7.907 6.499 1.00 0.00 N ATOM 219 CA THR A 15 5.382 -8.648 5.705 1.00 0.00 C ATOM 220 C THR A 15 5.266 -8.053 4.300 1.00 0.00 C ATOM 221 O THR A 15 4.781 -6.954 4.118 1.00 0.00 O ATOM 222 CB THR A 15 4.072 -8.465 6.474 1.00 0.00 C ATOM 223 OG1 THR A 15 4.258 -8.864 7.824 1.00 0.00 O ATOM 224 CG2 THR A 15 2.978 -9.319 5.832 1.00 0.00 C ATOM 0 H THR A 15 6.591 -6.954 6.186 1.00 0.00 H new ATOM 0 HA THR A 15 5.640 -9.700 5.583 1.00 0.00 H new ATOM 0 HB THR A 15 3.775 -7.417 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.369 -8.070 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.045 -9.188 6.381 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.836 -9.010 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.272 -10.368 5.861 1.00 0.00 H new ATOM 232 N ALA A 16 5.705 -8.772 3.303 1.00 0.00 N ATOM 233 CA ALA A 16 5.618 -8.248 1.909 1.00 0.00 C ATOM 234 C ALA A 16 4.158 -7.965 1.542 1.00 0.00 C ATOM 235 O ALA A 16 3.331 -8.854 1.521 1.00 0.00 O ATOM 236 CB ALA A 16 6.186 -9.363 1.031 1.00 0.00 C ATOM 0 H ALA A 16 6.120 -9.699 3.393 1.00 0.00 H new ATOM 0 HA ALA A 16 6.164 -7.313 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.157 -9.054 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.217 -9.565 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.590 -10.266 1.159 1.00 0.00 H new ATOM 242 N LEU A 17 3.837 -6.733 1.255 1.00 0.00 N ATOM 243 CA LEU A 17 2.431 -6.396 0.891 1.00 0.00 C ATOM 244 C LEU A 17 2.130 -6.848 -0.541 1.00 0.00 C ATOM 245 O LEU A 17 2.855 -6.538 -1.465 1.00 0.00 O ATOM 246 CB LEU A 17 2.348 -4.874 1.001 1.00 0.00 C ATOM 247 CG LEU A 17 2.732 -4.444 2.417 1.00 0.00 C ATOM 248 CD1 LEU A 17 3.411 -3.074 2.369 1.00 0.00 C ATOM 249 CD2 LEU A 17 1.471 -4.357 3.280 1.00 0.00 C ATOM 0 H LEU A 17 4.486 -5.946 1.257 1.00 0.00 H new ATOM 0 HA LEU A 17 1.708 -6.892 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.015 -4.409 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.338 -4.536 0.768 1.00 0.00 H new ATOM 0 HG LEU A 17 3.419 -5.174 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.685 -2.768 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.308 -3.134 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.725 -2.343 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.742 -4.051 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.786 -3.626 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.986 -5.332 3.315 1.00 0.00 H new ATOM 261 N THR A 18 1.066 -7.579 -0.730 1.00 0.00 N ATOM 262 CA THR A 18 0.720 -8.050 -2.102 1.00 0.00 C ATOM 263 C THR A 18 -0.377 -7.167 -2.701 1.00 0.00 C ATOM 264 O THR A 18 -0.734 -6.144 -2.152 1.00 0.00 O ATOM 265 CB THR A 18 0.212 -9.483 -1.919 1.00 0.00 C ATOM 266 OG1 THR A 18 0.050 -9.759 -0.534 1.00 0.00 O ATOM 267 CG2 THR A 18 1.219 -10.465 -2.522 1.00 0.00 C ATOM 0 H THR A 18 0.422 -7.871 0.005 1.00 0.00 H new ATOM 0 HA THR A 18 1.573 -8.005 -2.779 1.00 0.00 H new ATOM 0 HB THR A 18 -0.748 -9.593 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.277 -10.676 -0.419 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.856 -11.484 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.339 -10.256 -3.585 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.180 -10.355 -2.020 1.00 0.00 H new ATOM 275 N LEU A 19 -0.915 -7.554 -3.825 1.00 0.00 N ATOM 276 CA LEU A 19 -1.990 -6.738 -4.458 1.00 0.00 C ATOM 277 C LEU A 19 -3.270 -6.815 -3.623 1.00 0.00 C ATOM 278 O LEU A 19 -3.910 -5.817 -3.357 1.00 0.00 O ATOM 279 CB LEU A 19 -2.208 -7.368 -5.834 1.00 0.00 C ATOM 280 CG LEU A 19 -3.440 -6.744 -6.492 1.00 0.00 C ATOM 281 CD1 LEU A 19 -3.067 -6.220 -7.879 1.00 0.00 C ATOM 282 CD2 LEU A 19 -4.536 -7.803 -6.627 1.00 0.00 C ATOM 0 H LEU A 19 -0.657 -8.400 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.721 -5.684 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.330 -7.212 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.342 -8.445 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.802 -5.920 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.945 -5.775 -8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.285 -5.467 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.705 -7.044 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.415 -7.360 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.173 -8.626 -7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.803 -8.179 -5.639 1.00 0.00 H new ATOM 294 N ILE A 20 -3.647 -7.994 -3.208 1.00 0.00 N ATOM 295 CA ILE A 20 -4.885 -8.136 -2.390 1.00 0.00 C ATOM 296 C ILE A 20 -4.694 -7.477 -1.020 1.00 0.00 C ATOM 297 O ILE A 20 -5.627 -7.330 -0.257 1.00 0.00 O ATOM 298 CB ILE A 20 -5.086 -9.643 -2.239 1.00 0.00 C ATOM 299 CG1 ILE A 20 -3.870 -10.251 -1.537 1.00 0.00 C ATOM 300 CG2 ILE A 20 -5.244 -10.279 -3.621 1.00 0.00 C ATOM 301 CD1 ILE A 20 -4.290 -10.804 -0.174 1.00 0.00 C ATOM 0 H ILE A 20 -3.151 -8.865 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.746 -7.654 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.982 -9.832 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.444 -11.047 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.094 -9.496 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.387 -11.354 -3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.109 -9.846 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.348 -10.090 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.423 -11.237 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.695 -9.997 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.051 -11.572 -0.312 1.00 0.00 H new ATOM 313 N MET A 21 -3.491 -7.081 -0.704 1.00 0.00 N ATOM 314 CA MET A 21 -3.245 -6.432 0.616 1.00 0.00 C ATOM 315 C MET A 21 -3.483 -4.924 0.515 1.00 0.00 C ATOM 316 O MET A 21 -3.850 -4.279 1.477 1.00 0.00 O ATOM 317 CB MET A 21 -1.777 -6.724 0.935 1.00 0.00 C ATOM 318 CG MET A 21 -1.621 -6.970 2.437 1.00 0.00 C ATOM 319 SD MET A 21 -1.641 -8.750 2.762 1.00 0.00 S ATOM 320 CE MET A 21 -0.887 -8.690 4.407 1.00 0.00 C ATOM 0 H MET A 21 -2.670 -7.178 -1.301 1.00 0.00 H new ATOM 0 HA MET A 21 -3.912 -6.808 1.392 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.439 -7.596 0.376 1.00 0.00 H new ATOM 0 HB3 MET A 21 -1.153 -5.885 0.626 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.687 -6.535 2.792 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.428 -6.481 2.982 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.801 -9.701 4.805 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.104 -8.242 4.337 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.510 -8.090 5.071 1.00 0.00 H new ATOM 330 N MET A 22 -3.276 -4.357 -0.642 1.00 0.00 N ATOM 331 CA MET A 22 -3.491 -2.890 -0.801 1.00 0.00 C ATOM 332 C MET A 22 -4.581 -2.625 -1.843 1.00 0.00 C ATOM 333 O MET A 22 -4.689 -3.319 -2.833 1.00 0.00 O ATOM 334 CB MET A 22 -2.148 -2.342 -1.282 1.00 0.00 C ATOM 335 CG MET A 22 -1.090 -2.552 -0.198 1.00 0.00 C ATOM 336 SD MET A 22 -0.609 -0.949 0.492 1.00 0.00 S ATOM 337 CE MET A 22 0.623 -1.567 1.666 1.00 0.00 C ATOM 0 H MET A 22 -2.968 -4.845 -1.483 1.00 0.00 H new ATOM 0 HA MET A 22 -3.816 -2.418 0.126 1.00 0.00 H new ATOM 0 HB2 MET A 22 -1.847 -2.845 -2.201 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.239 -1.281 -1.515 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.483 -3.196 0.589 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.219 -3.056 -0.617 1.00 0.00 H new ATOM 0 HE1 MET A 22 1.169 -0.727 2.096 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.123 -2.120 2.461 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.320 -2.226 1.149 1.00 0.00 H new ATOM 347 N LYS A 23 -5.390 -1.623 -1.627 1.00 0.00 N ATOM 348 CA LYS A 23 -6.470 -1.313 -2.606 1.00 0.00 C ATOM 349 C LYS A 23 -6.234 0.062 -3.238 1.00 0.00 C ATOM 350 O LYS A 23 -5.426 0.840 -2.769 1.00 0.00 O ATOM 351 CB LYS A 23 -7.760 -1.312 -1.787 1.00 0.00 C ATOM 352 CG LYS A 23 -8.060 -2.732 -1.304 1.00 0.00 C ATOM 353 CD LYS A 23 -9.478 -3.127 -1.721 1.00 0.00 C ATOM 354 CE LYS A 23 -9.653 -4.640 -1.570 1.00 0.00 C ATOM 355 NZ LYS A 23 -10.490 -5.046 -2.733 1.00 0.00 N ATOM 0 H LYS A 23 -5.349 -1.006 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.506 -2.035 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.661 -0.640 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.587 -0.940 -2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.338 -3.431 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.960 -2.787 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.209 -2.603 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.660 -2.831 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.691 -5.152 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.139 -4.889 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.655 -6.072 -2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.402 -4.548 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.999 -4.802 -3.616 1.00 0.00 H new ATOM 369 N ALA A 24 -6.932 0.366 -4.298 1.00 0.00 N ATOM 370 CA ALA A 24 -6.748 1.691 -4.959 1.00 0.00 C ATOM 371 C ALA A 24 -7.869 2.648 -4.547 1.00 0.00 C ATOM 372 O ALA A 24 -8.813 2.867 -5.279 1.00 0.00 O ATOM 373 CB ALA A 24 -6.819 1.397 -6.458 1.00 0.00 C ATOM 0 H ALA A 24 -7.622 -0.245 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.807 2.165 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.692 2.324 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.028 0.698 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.788 0.959 -6.697 1.00 0.00 H new ATOM 379 N GLU A 25 -7.773 3.221 -3.378 1.00 0.00 N ATOM 380 CA GLU A 25 -8.833 4.163 -2.919 1.00 0.00 C ATOM 381 C GLU A 25 -8.360 5.610 -3.088 1.00 0.00 C ATOM 382 O GLU A 25 -7.179 5.895 -3.063 1.00 0.00 O ATOM 383 CB GLU A 25 -9.039 3.835 -1.440 1.00 0.00 C ATOM 384 CG GLU A 25 -10.465 3.321 -1.224 1.00 0.00 C ATOM 385 CD GLU A 25 -10.431 1.812 -0.977 1.00 0.00 C ATOM 386 OE1 GLU A 25 -10.134 1.084 -1.910 1.00 0.00 O ATOM 387 OE2 GLU A 25 -10.703 1.409 0.143 1.00 0.00 O ATOM 0 H GLU A 25 -7.006 3.077 -2.721 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.755 4.061 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.318 3.083 -1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.865 4.723 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.921 3.829 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.079 3.544 -2.096 1.00 0.00 H new ATOM 394 N VAL A 26 -9.274 6.526 -3.260 1.00 0.00 N ATOM 395 CA VAL A 26 -8.875 7.954 -3.430 1.00 0.00 C ATOM 396 C VAL A 26 -8.812 8.651 -2.069 1.00 0.00 C ATOM 397 O VAL A 26 -8.768 9.863 -1.982 1.00 0.00 O ATOM 398 CB VAL A 26 -9.972 8.571 -4.299 1.00 0.00 C ATOM 399 CG1 VAL A 26 -11.247 8.738 -3.472 1.00 0.00 C ATOM 400 CG2 VAL A 26 -9.510 9.940 -4.805 1.00 0.00 C ATOM 0 H VAL A 26 -10.278 6.349 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.890 8.056 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.174 7.917 -5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.028 9.178 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.576 7.764 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.047 9.392 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.291 10.381 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.308 10.593 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.601 9.822 -5.396 1.00 0.00 H new ATOM 410 N VAL A 27 -8.807 7.896 -1.005 1.00 0.00 N ATOM 411 CA VAL A 27 -8.746 8.518 0.349 1.00 0.00 C ATOM 412 C VAL A 27 -7.440 9.300 0.513 1.00 0.00 C ATOM 413 O VAL A 27 -6.396 8.890 0.044 1.00 0.00 O ATOM 414 CB VAL A 27 -8.795 7.345 1.328 1.00 0.00 C ATOM 415 CG1 VAL A 27 -8.922 7.876 2.757 1.00 0.00 C ATOM 416 CG2 VAL A 27 -10.002 6.461 1.003 1.00 0.00 C ATOM 0 H VAL A 27 -8.842 6.877 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.561 9.222 0.517 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.880 6.759 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.957 7.039 3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.063 8.506 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.837 8.462 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.038 5.624 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.917 7.047 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.912 6.082 -0.015 1.00 0.00 H new ATOM 426 N THR A 28 -7.488 10.422 1.177 1.00 0.00 N ATOM 427 CA THR A 28 -6.248 11.227 1.371 1.00 0.00 C ATOM 428 C THR A 28 -5.514 10.769 2.637 1.00 0.00 C ATOM 429 O THR A 28 -6.085 10.091 3.469 1.00 0.00 O ATOM 430 CB THR A 28 -6.733 12.669 1.523 1.00 0.00 C ATOM 431 OG1 THR A 28 -8.082 12.668 1.970 1.00 0.00 O ATOM 432 CG2 THR A 28 -6.640 13.387 0.176 1.00 0.00 C ATOM 0 H THR A 28 -8.331 10.816 1.594 1.00 0.00 H new ATOM 0 HA THR A 28 -5.549 11.118 0.542 1.00 0.00 H new ATOM 0 HB THR A 28 -6.109 13.187 2.251 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.394 13.592 2.070 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.986 14.415 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.605 13.388 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.263 12.871 -0.555 1.00 0.00 H new ATOM 440 N PRO A 29 -4.264 11.154 2.749 1.00 0.00 N ATOM 441 CA PRO A 29 -3.608 11.983 1.705 1.00 0.00 C ATOM 442 C PRO A 29 -3.278 11.131 0.475 1.00 0.00 C ATOM 443 O PRO A 29 -3.454 9.929 0.475 1.00 0.00 O ATOM 444 CB PRO A 29 -2.332 12.469 2.384 1.00 0.00 C ATOM 445 CG PRO A 29 -2.040 11.453 3.442 1.00 0.00 C ATOM 446 CD PRO A 29 -3.358 10.853 3.863 1.00 0.00 C ATOM 0 HA PRO A 29 -4.236 12.800 1.350 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.510 12.543 1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.469 13.460 2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.371 10.682 3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.540 11.916 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.272 9.779 4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.715 11.290 4.796 1.00 0.00 H new ATOM 454 N MET A 30 -2.803 11.744 -0.575 1.00 0.00 N ATOM 455 CA MET A 30 -2.466 10.967 -1.802 1.00 0.00 C ATOM 456 C MET A 30 -1.130 10.239 -1.622 1.00 0.00 C ATOM 457 O MET A 30 -0.085 10.739 -1.983 1.00 0.00 O ATOM 458 CB MET A 30 -2.361 12.012 -2.915 1.00 0.00 C ATOM 459 CG MET A 30 -3.765 12.459 -3.330 1.00 0.00 C ATOM 460 SD MET A 30 -4.518 11.188 -4.375 1.00 0.00 S ATOM 461 CE MET A 30 -6.066 12.062 -4.716 1.00 0.00 C ATOM 0 H MET A 30 -2.634 12.748 -0.636 1.00 0.00 H new ATOM 0 HA MET A 30 -3.213 10.205 -2.025 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.782 12.869 -2.570 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.833 11.594 -3.772 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.380 12.630 -2.446 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.713 13.405 -3.870 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.697 11.447 -5.358 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.586 12.260 -3.779 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.848 13.005 -5.217 1.00 0.00 H new ATOM 471 N GLY A 31 -1.160 9.058 -1.066 1.00 0.00 N ATOM 472 CA GLY A 31 0.105 8.294 -0.863 1.00 0.00 C ATOM 473 C GLY A 31 0.664 7.864 -2.218 1.00 0.00 C ATOM 474 O GLY A 31 0.468 8.522 -3.220 1.00 0.00 O ATOM 0 H GLY A 31 -2.006 8.589 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.834 8.910 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.082 7.419 -0.241 1.00 0.00 H new ATOM 478 N ILE A 32 1.365 6.766 -2.254 1.00 0.00 N ATOM 479 CA ILE A 32 1.943 6.295 -3.547 1.00 0.00 C ATOM 480 C ILE A 32 0.849 5.666 -4.413 1.00 0.00 C ATOM 481 O ILE A 32 0.015 4.929 -3.926 1.00 0.00 O ATOM 482 CB ILE A 32 2.998 5.252 -3.165 1.00 0.00 C ATOM 483 CG1 ILE A 32 3.748 5.716 -1.904 1.00 0.00 C ATOM 484 CG2 ILE A 32 3.981 5.087 -4.328 1.00 0.00 C ATOM 485 CD1 ILE A 32 5.106 5.011 -1.805 1.00 0.00 C ATOM 0 H ILE A 32 1.564 6.174 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 32 2.377 7.111 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 32 2.517 4.296 -2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.892 6.796 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.152 5.499 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.736 4.346 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.442 4.756 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.466 6.042 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.626 5.348 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.953 3.933 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.705 5.250 -2.684 1.00 0.00 H new ATOM 497 N PRO A 33 0.889 5.987 -5.678 1.00 0.00 N ATOM 498 CA PRO A 33 -0.113 5.454 -6.635 1.00 0.00 C ATOM 499 C PRO A 33 0.133 3.967 -6.902 1.00 0.00 C ATOM 500 O PRO A 33 1.138 3.411 -6.504 1.00 0.00 O ATOM 501 CB PRO A 33 0.120 6.282 -7.896 1.00 0.00 C ATOM 502 CG PRO A 33 1.539 6.744 -7.798 1.00 0.00 C ATOM 503 CD PRO A 33 1.865 6.865 -6.333 1.00 0.00 C ATOM 0 HA PRO A 33 -1.136 5.526 -6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.040 5.686 -8.795 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.568 7.126 -7.947 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.209 6.035 -8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.668 7.702 -8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.888 6.551 -6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.771 7.894 -5.987 1.00 0.00 H new ATOM 511 N ALA A 34 -0.779 3.320 -7.574 1.00 0.00 N ATOM 512 CA ALA A 34 -0.602 1.870 -7.867 1.00 0.00 C ATOM 513 C ALA A 34 0.040 1.681 -9.244 1.00 0.00 C ATOM 514 O ALA A 34 -0.305 0.784 -9.985 1.00 0.00 O ATOM 515 CB ALA A 34 -2.016 1.290 -7.851 1.00 0.00 C ATOM 0 H ALA A 34 -1.640 3.733 -7.933 1.00 0.00 H new ATOM 0 HA ALA A 34 0.050 1.379 -7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.973 0.221 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.464 1.451 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.620 1.784 -8.612 1.00 0.00 H new ATOM 521 N GLU A 35 0.973 2.522 -9.593 1.00 0.00 N ATOM 522 CA GLU A 35 1.637 2.389 -10.921 1.00 0.00 C ATOM 523 C GLU A 35 2.652 1.244 -10.891 1.00 0.00 C ATOM 524 O GLU A 35 2.973 0.659 -11.907 1.00 0.00 O ATOM 525 CB GLU A 35 2.344 3.727 -11.144 1.00 0.00 C ATOM 526 CG GLU A 35 2.077 4.215 -12.569 1.00 0.00 C ATOM 527 CD GLU A 35 3.341 4.040 -13.413 1.00 0.00 C ATOM 528 OE1 GLU A 35 3.740 2.906 -13.619 1.00 0.00 O ATOM 529 OE2 GLU A 35 3.889 5.044 -13.839 1.00 0.00 O ATOM 0 H GLU A 35 1.305 3.296 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 35 0.928 2.164 -11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.987 4.463 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.416 3.615 -10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.253 3.654 -13.009 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.778 5.263 -12.556 1.00 0.00 H new ATOM 536 N GLU A 36 3.166 0.924 -9.735 1.00 0.00 N ATOM 537 CA GLU A 36 4.167 -0.178 -9.639 1.00 0.00 C ATOM 538 C GLU A 36 3.531 -1.434 -9.033 1.00 0.00 C ATOM 539 O GLU A 36 4.124 -2.106 -8.212 1.00 0.00 O ATOM 540 CB GLU A 36 5.261 0.366 -8.721 1.00 0.00 C ATOM 541 CG GLU A 36 6.133 1.354 -9.497 1.00 0.00 C ATOM 542 CD GLU A 36 7.217 0.589 -10.258 1.00 0.00 C ATOM 543 OE1 GLU A 36 8.261 0.345 -9.676 1.00 0.00 O ATOM 544 OE2 GLU A 36 6.986 0.263 -11.410 1.00 0.00 O ATOM 0 H GLU A 36 2.936 1.378 -8.851 1.00 0.00 H new ATOM 0 HA GLU A 36 4.555 -0.467 -10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.814 0.859 -7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.871 -0.453 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.521 1.927 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.590 2.068 -8.812 1.00 0.00 H new ATOM 551 N ILE A 37 2.332 -1.758 -9.432 1.00 0.00 N ATOM 552 CA ILE A 37 1.663 -2.972 -8.880 1.00 0.00 C ATOM 553 C ILE A 37 2.645 -4.153 -8.849 1.00 0.00 C ATOM 554 O ILE A 37 2.784 -4.813 -7.837 1.00 0.00 O ATOM 555 CB ILE A 37 0.478 -3.230 -9.831 1.00 0.00 C ATOM 556 CG1 ILE A 37 -0.814 -2.736 -9.174 1.00 0.00 C ATOM 557 CG2 ILE A 37 0.335 -4.727 -10.141 1.00 0.00 C ATOM 558 CD1 ILE A 37 -0.596 -1.342 -8.582 1.00 0.00 C ATOM 0 H ILE A 37 1.786 -1.235 -10.116 1.00 0.00 H new ATOM 0 HA ILE A 37 1.324 -2.842 -7.852 1.00 0.00 H new ATOM 0 HB ILE A 37 0.663 -2.695 -10.762 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.618 -2.707 -9.909 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.123 -3.429 -8.391 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.509 -4.880 -10.814 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.247 -5.089 -10.615 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.165 -5.276 -9.215 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.519 -0.996 -8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.195 -1.384 -7.833 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.309 -0.651 -9.374 1.00 0.00 H new ATOM 570 N PRO A 38 3.290 -4.389 -9.962 1.00 0.00 N ATOM 571 CA PRO A 38 4.255 -5.511 -10.051 1.00 0.00 C ATOM 572 C PRO A 38 5.554 -5.165 -9.316 1.00 0.00 C ATOM 573 O PRO A 38 6.387 -6.018 -9.078 1.00 0.00 O ATOM 574 CB PRO A 38 4.497 -5.657 -11.550 1.00 0.00 C ATOM 575 CG PRO A 38 4.189 -4.314 -12.132 1.00 0.00 C ATOM 576 CD PRO A 38 3.185 -3.647 -11.224 1.00 0.00 C ATOM 0 HA PRO A 38 3.887 -6.429 -9.593 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.527 -5.948 -11.756 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.856 -6.428 -11.979 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.095 -3.713 -12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.787 -4.416 -13.140 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.415 -2.591 -11.085 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.177 -3.703 -11.636 1.00 0.00 H new ATOM 584 N ASN A 39 5.731 -3.927 -8.952 1.00 0.00 N ATOM 585 CA ASN A 39 6.977 -3.535 -8.230 1.00 0.00 C ATOM 586 C ASN A 39 6.703 -3.412 -6.729 1.00 0.00 C ATOM 587 O ASN A 39 7.566 -3.648 -5.909 1.00 0.00 O ATOM 588 CB ASN A 39 7.369 -2.181 -8.819 1.00 0.00 C ATOM 589 CG ASN A 39 8.700 -2.313 -9.560 1.00 0.00 C ATOM 590 OD1 ASN A 39 9.743 -2.000 -9.019 1.00 0.00 O ATOM 591 ND2 ASN A 39 8.710 -2.769 -10.782 1.00 0.00 N ATOM 0 H ASN A 39 5.070 -3.169 -9.122 1.00 0.00 H new ATOM 0 HA ASN A 39 7.771 -4.273 -8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.594 -1.831 -9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.454 -1.438 -8.026 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.593 -2.863 -11.284 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.835 -3.032 -11.236 1.00 0.00 H new ATOM 598 N LEU A 40 5.504 -3.044 -6.365 1.00 0.00 N ATOM 599 CA LEU A 40 5.177 -2.908 -4.916 1.00 0.00 C ATOM 600 C LEU A 40 4.814 -4.274 -4.328 1.00 0.00 C ATOM 601 O LEU A 40 5.291 -4.654 -3.278 1.00 0.00 O ATOM 602 CB LEU A 40 3.975 -1.965 -4.868 1.00 0.00 C ATOM 603 CG LEU A 40 4.464 -0.528 -4.685 1.00 0.00 C ATOM 604 CD1 LEU A 40 5.115 -0.381 -3.310 1.00 0.00 C ATOM 605 CD2 LEU A 40 5.490 -0.200 -5.771 1.00 0.00 C ATOM 0 H LEU A 40 4.739 -2.832 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 40 6.017 -2.525 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.396 -2.049 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.313 -2.243 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 40 3.619 0.156 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.463 0.644 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.386 -0.617 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.961 -1.064 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.840 0.824 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.334 -0.885 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.027 -0.305 -6.752 1.00 0.00 H new ATOM 617 N VAL A 41 3.973 -5.014 -4.997 1.00 0.00 N ATOM 618 CA VAL A 41 3.581 -6.355 -4.474 1.00 0.00 C ATOM 619 C VAL A 41 4.814 -7.094 -3.947 1.00 0.00 C ATOM 620 O VAL A 41 5.620 -7.598 -4.705 1.00 0.00 O ATOM 621 CB VAL A 41 2.986 -7.090 -5.675 1.00 0.00 C ATOM 622 CG1 VAL A 41 2.892 -8.584 -5.363 1.00 0.00 C ATOM 623 CG2 VAL A 41 1.588 -6.541 -5.965 1.00 0.00 C ATOM 0 H VAL A 41 3.540 -4.749 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 41 2.873 -6.288 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 41 3.624 -6.941 -6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.468 -9.108 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.888 -8.976 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.253 -8.734 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.162 -7.064 -6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.950 -6.691 -5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.654 -5.476 -6.187 1.00 0.00 H new ATOM 633 N GLY A 42 4.966 -7.163 -2.653 1.00 0.00 N ATOM 634 CA GLY A 42 6.147 -7.868 -2.077 1.00 0.00 C ATOM 635 C GLY A 42 7.043 -6.860 -1.358 1.00 0.00 C ATOM 636 O GLY A 42 8.164 -7.158 -0.996 1.00 0.00 O ATOM 0 H GLY A 42 4.324 -6.762 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.819 -8.640 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.706 -8.368 -2.868 1.00 0.00 H new ATOM 640 N MET A 43 6.558 -5.667 -1.146 1.00 0.00 N ATOM 641 CA MET A 43 7.384 -4.640 -0.448 1.00 0.00 C ATOM 642 C MET A 43 7.281 -4.819 1.069 1.00 0.00 C ATOM 643 O MET A 43 6.208 -4.997 1.611 1.00 0.00 O ATOM 644 CB MET A 43 6.786 -3.298 -0.873 1.00 0.00 C ATOM 645 CG MET A 43 7.553 -2.161 -0.197 1.00 0.00 C ATOM 646 SD MET A 43 6.898 -0.571 -0.761 1.00 0.00 S ATOM 647 CE MET A 43 8.355 -0.045 -1.697 1.00 0.00 C ATOM 0 H MET A 43 5.627 -5.359 -1.425 1.00 0.00 H new ATOM 0 HA MET A 43 8.441 -4.715 -0.704 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.837 -3.192 -1.957 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.732 -3.254 -0.598 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.462 -2.240 0.886 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.615 -2.233 -0.433 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.175 0.941 -2.126 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.218 0.000 -1.032 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.551 -0.759 -2.497 1.00 0.00 H new ATOM 657 N GLN A 44 8.388 -4.773 1.758 1.00 0.00 N ATOM 658 CA GLN A 44 8.352 -4.942 3.240 1.00 0.00 C ATOM 659 C GLN A 44 8.531 -3.590 3.934 1.00 0.00 C ATOM 660 O GLN A 44 9.256 -2.733 3.471 1.00 0.00 O ATOM 661 CB GLN A 44 9.526 -5.869 3.561 1.00 0.00 C ATOM 662 CG GLN A 44 9.000 -7.160 4.194 1.00 0.00 C ATOM 663 CD GLN A 44 9.472 -8.361 3.371 1.00 0.00 C ATOM 664 OE1 GLN A 44 9.727 -8.239 2.189 1.00 0.00 O ATOM 665 NE2 GLN A 44 9.598 -9.523 3.950 1.00 0.00 N ATOM 0 H GLN A 44 9.316 -4.626 1.360 1.00 0.00 H new ATOM 0 HA GLN A 44 7.402 -5.351 3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.082 -6.098 2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.219 -5.374 4.242 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.357 -7.246 5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.911 -7.140 4.236 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.384 -9.624 4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.911 -10.330 3.411 1.00 0.00 H new ATOM 674 N VAL A 45 7.874 -3.393 5.045 1.00 0.00 N ATOM 675 CA VAL A 45 8.006 -2.098 5.773 1.00 0.00 C ATOM 676 C VAL A 45 8.576 -2.342 7.173 1.00 0.00 C ATOM 677 O VAL A 45 8.524 -3.439 7.692 1.00 0.00 O ATOM 678 CB VAL A 45 6.582 -1.546 5.857 1.00 0.00 C ATOM 679 CG1 VAL A 45 5.971 -1.494 4.456 1.00 0.00 C ATOM 680 CG2 VAL A 45 5.734 -2.456 6.747 1.00 0.00 C ATOM 0 H VAL A 45 7.251 -4.073 5.480 1.00 0.00 H new ATOM 0 HA VAL A 45 8.680 -1.403 5.272 1.00 0.00 H new ATOM 0 HB VAL A 45 6.607 -0.542 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.956 -1.101 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.574 -0.846 3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.946 -2.498 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.719 -2.063 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.710 -3.460 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.168 -2.495 7.746 1.00 0.00 H new ATOM 690 N ASN A 46 9.123 -1.328 7.790 1.00 0.00 N ATOM 691 CA ASN A 46 9.697 -1.511 9.154 1.00 0.00 C ATOM 692 C ASN A 46 8.848 -0.772 10.193 1.00 0.00 C ATOM 693 O ASN A 46 9.147 -0.780 11.371 1.00 0.00 O ATOM 694 CB ASN A 46 11.099 -0.907 9.081 1.00 0.00 C ATOM 695 CG ASN A 46 12.044 -1.698 9.988 1.00 0.00 C ATOM 696 OD1 ASN A 46 11.623 -2.602 10.682 1.00 0.00 O ATOM 697 ND2 ASN A 46 13.314 -1.393 10.013 1.00 0.00 N ATOM 0 H ASN A 46 9.197 -0.384 7.410 1.00 0.00 H new ATOM 0 HA ASN A 46 9.720 -2.559 9.452 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.462 -0.928 8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.073 0.138 9.389 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.952 -1.914 10.615 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.668 -0.634 9.430 1.00 0.00 H new ATOM 704 N ARG A 47 7.793 -0.132 9.769 1.00 0.00 N ATOM 705 CA ARG A 47 6.931 0.605 10.738 1.00 0.00 C ATOM 706 C ARG A 47 5.504 0.048 10.713 1.00 0.00 C ATOM 707 O ARG A 47 4.854 0.024 9.686 1.00 0.00 O ATOM 708 CB ARG A 47 6.949 2.058 10.263 1.00 0.00 C ATOM 709 CG ARG A 47 8.180 2.767 10.832 1.00 0.00 C ATOM 710 CD ARG A 47 7.771 3.612 12.041 1.00 0.00 C ATOM 711 NE ARG A 47 7.246 2.633 13.033 1.00 0.00 N ATOM 712 CZ ARG A 47 7.838 2.492 14.187 1.00 0.00 C ATOM 713 NH1 ARG A 47 9.103 2.174 14.237 1.00 0.00 N ATOM 714 NH2 ARG A 47 7.166 2.672 15.292 1.00 0.00 N ATOM 0 H ARG A 47 7.490 -0.087 8.796 1.00 0.00 H new ATOM 0 HA ARG A 47 7.290 0.508 11.763 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.966 2.095 9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.041 2.568 10.585 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.932 2.034 11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.633 3.400 10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.621 4.164 12.443 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.012 4.346 11.771 1.00 0.00 H new ATOM 0 HE ARG A 47 6.423 2.073 12.810 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.629 2.036 13.374 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.566 2.064 15.139 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.178 2.923 15.253 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.629 2.562 16.194 1.00 0.00 H new ATOM 728 N ALA A 48 5.016 -0.402 11.835 1.00 0.00 N ATOM 729 CA ALA A 48 3.633 -0.960 11.879 1.00 0.00 C ATOM 730 C ALA A 48 2.658 -0.024 11.158 1.00 0.00 C ATOM 731 O ALA A 48 2.747 1.183 11.262 1.00 0.00 O ATOM 732 CB ALA A 48 3.289 -1.051 13.366 1.00 0.00 C ATOM 0 H ALA A 48 5.514 -0.408 12.725 1.00 0.00 H new ATOM 0 HA ALA A 48 3.564 -1.929 11.384 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.283 -1.454 13.483 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.003 -1.706 13.865 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.336 -0.057 13.812 1.00 0.00 H new ATOM 738 N VAL A 49 1.726 -0.575 10.429 1.00 0.00 N ATOM 739 CA VAL A 49 0.742 0.278 9.700 1.00 0.00 C ATOM 740 C VAL A 49 -0.687 -0.120 10.081 1.00 0.00 C ATOM 741 O VAL A 49 -1.033 -1.283 10.050 1.00 0.00 O ATOM 742 CB VAL A 49 1.000 -0.003 8.219 1.00 0.00 C ATOM 743 CG1 VAL A 49 0.254 1.022 7.363 1.00 0.00 C ATOM 744 CG2 VAL A 49 2.501 0.093 7.938 1.00 0.00 C ATOM 0 H VAL A 49 1.603 -1.580 10.306 1.00 0.00 H new ATOM 0 HA VAL A 49 0.851 1.335 9.941 1.00 0.00 H new ATOM 0 HB VAL A 49 0.646 -1.004 7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.440 0.819 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.815 0.954 7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.605 2.025 7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.687 -0.107 6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.854 1.094 8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.032 -0.640 8.545 1.00 0.00 H new ATOM 754 N PRO A 50 -1.471 0.865 10.428 1.00 0.00 N ATOM 755 CA PRO A 50 -2.882 0.612 10.820 1.00 0.00 C ATOM 756 C PRO A 50 -3.707 0.178 9.605 1.00 0.00 C ATOM 757 O PRO A 50 -3.182 -0.024 8.528 1.00 0.00 O ATOM 758 CB PRO A 50 -3.353 1.967 11.347 1.00 0.00 C ATOM 759 CG PRO A 50 -2.460 2.966 10.682 1.00 0.00 C ATOM 760 CD PRO A 50 -1.130 2.290 10.486 1.00 0.00 C ATOM 0 HA PRO A 50 -2.988 -0.186 11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.400 2.146 11.100 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.268 2.021 12.432 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.878 3.284 9.727 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.353 3.860 11.296 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.643 2.623 9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.446 2.505 11.307 1.00 0.00 H new ATOM 768 N LEU A 51 -4.993 0.028 9.771 1.00 0.00 N ATOM 769 CA LEU A 51 -5.847 -0.398 8.625 1.00 0.00 C ATOM 770 C LEU A 51 -6.146 0.798 7.714 1.00 0.00 C ATOM 771 O LEU A 51 -6.128 1.935 8.141 1.00 0.00 O ATOM 772 CB LEU A 51 -7.134 -0.920 9.266 1.00 0.00 C ATOM 773 CG LEU A 51 -7.139 -2.449 9.229 1.00 0.00 C ATOM 774 CD1 LEU A 51 -6.959 -2.995 10.647 1.00 0.00 C ATOM 775 CD2 LEU A 51 -8.473 -2.938 8.660 1.00 0.00 C ATOM 0 H LEU A 51 -5.489 0.182 10.649 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.363 -1.154 8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.208 -0.570 10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.002 -0.530 8.734 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.322 -2.801 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.963 -4.085 10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.010 -2.645 11.054 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.776 -2.645 11.278 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.479 -4.028 8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.289 -2.586 9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.602 -2.549 7.650 1.00 0.00 H new ATOM 787 N GLY A 52 -6.421 0.548 6.462 1.00 0.00 N ATOM 788 CA GLY A 52 -6.719 1.670 5.524 1.00 0.00 C ATOM 789 C GLY A 52 -5.649 2.752 5.665 1.00 0.00 C ATOM 790 O GLY A 52 -5.943 3.930 5.703 1.00 0.00 O ATOM 0 H GLY A 52 -6.452 -0.384 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.746 1.303 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.703 2.087 5.740 1.00 0.00 H new ATOM 794 N THR A 53 -4.406 2.362 5.740 1.00 0.00 N ATOM 795 CA THR A 53 -3.315 3.369 5.877 1.00 0.00 C ATOM 796 C THR A 53 -2.783 3.765 4.498 1.00 0.00 C ATOM 797 O THR A 53 -2.532 2.928 3.655 1.00 0.00 O ATOM 798 CB THR A 53 -2.228 2.663 6.689 1.00 0.00 C ATOM 799 OG1 THR A 53 -2.779 2.189 7.910 1.00 0.00 O ATOM 800 CG2 THR A 53 -1.091 3.643 6.984 1.00 0.00 C ATOM 0 H THR A 53 -4.098 1.390 5.712 1.00 0.00 H new ATOM 0 HA THR A 53 -3.656 4.285 6.359 1.00 0.00 H new ATOM 0 HB THR A 53 -1.839 1.820 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.127 1.282 7.781 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.317 3.139 7.563 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.667 4.002 6.046 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.478 4.488 7.554 1.00 0.00 H new ATOM 808 N THR A 54 -2.607 5.036 4.261 1.00 0.00 N ATOM 809 CA THR A 54 -2.091 5.483 2.935 1.00 0.00 C ATOM 810 C THR A 54 -0.641 5.027 2.754 1.00 0.00 C ATOM 811 O THR A 54 0.146 5.049 3.680 1.00 0.00 O ATOM 812 CB THR A 54 -2.170 7.010 2.971 1.00 0.00 C ATOM 813 OG1 THR A 54 -3.527 7.414 2.842 1.00 0.00 O ATOM 814 CG2 THR A 54 -1.349 7.592 1.819 1.00 0.00 C ATOM 0 H THR A 54 -2.798 5.784 4.927 1.00 0.00 H new ATOM 0 HA THR A 54 -2.664 5.065 2.107 1.00 0.00 H new ATOM 0 HB THR A 54 -1.771 7.374 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.568 8.288 2.400 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.406 8.680 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.309 7.280 1.919 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.746 7.231 0.870 1.00 0.00 H new ATOM 822 N LEU A 55 -0.282 4.616 1.570 1.00 0.00 N ATOM 823 CA LEU A 55 1.117 4.162 1.334 1.00 0.00 C ATOM 824 C LEU A 55 2.091 5.315 1.588 1.00 0.00 C ATOM 825 O LEU A 55 2.289 6.171 0.747 1.00 0.00 O ATOM 826 CB LEU A 55 1.152 3.736 -0.133 1.00 0.00 C ATOM 827 CG LEU A 55 1.993 2.468 -0.275 1.00 0.00 C ATOM 828 CD1 LEU A 55 3.435 2.764 0.141 1.00 0.00 C ATOM 829 CD2 LEU A 55 1.417 1.373 0.624 1.00 0.00 C ATOM 0 H LEU A 55 -0.896 4.575 0.756 1.00 0.00 H new ATOM 0 HA LEU A 55 1.409 3.348 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.140 3.556 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.572 4.534 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 55 1.976 2.133 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.036 1.860 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.845 3.545 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.453 3.098 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.016 0.468 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.435 1.707 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.389 1.163 0.328 1.00 0.00 H new ATOM 841 N MET A 56 2.699 5.346 2.744 1.00 0.00 N ATOM 842 CA MET A 56 3.656 6.446 3.056 1.00 0.00 C ATOM 843 C MET A 56 5.099 5.950 2.924 1.00 0.00 C ATOM 844 O MET A 56 5.406 4.827 3.273 1.00 0.00 O ATOM 845 CB MET A 56 3.354 6.832 4.504 1.00 0.00 C ATOM 846 CG MET A 56 1.841 6.964 4.692 1.00 0.00 C ATOM 847 SD MET A 56 1.487 8.377 5.768 1.00 0.00 S ATOM 848 CE MET A 56 1.093 9.566 4.462 1.00 0.00 C ATOM 0 H MET A 56 2.574 4.657 3.485 1.00 0.00 H new ATOM 0 HA MET A 56 3.549 7.291 2.376 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.751 6.077 5.183 1.00 0.00 H new ATOM 0 HB3 MET A 56 3.845 7.773 4.751 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.354 7.098 3.726 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.437 6.051 5.129 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.840 10.527 4.909 1.00 0.00 H new ATOM 0 HE2 MET A 56 1.956 9.687 3.807 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.245 9.201 3.882 1.00 0.00 H new ATOM 858 N PRO A 57 5.939 6.814 2.423 1.00 0.00 N ATOM 859 CA PRO A 57 7.371 6.472 2.239 1.00 0.00 C ATOM 860 C PRO A 57 8.106 6.487 3.584 1.00 0.00 C ATOM 861 O PRO A 57 9.302 6.283 3.650 1.00 0.00 O ATOM 862 CB PRO A 57 7.889 7.581 1.329 1.00 0.00 C ATOM 863 CG PRO A 57 6.971 8.740 1.564 1.00 0.00 C ATOM 864 CD PRO A 57 5.635 8.180 1.982 1.00 0.00 C ATOM 0 HA PRO A 57 7.521 5.476 1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.920 7.840 1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.874 7.272 0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.371 9.396 2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.870 9.339 0.659 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.190 8.768 2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.926 8.183 1.154 1.00 0.00 H new ATOM 872 N ASP A 58 7.403 6.731 4.656 1.00 0.00 N ATOM 873 CA ASP A 58 8.068 6.763 5.992 1.00 0.00 C ATOM 874 C ASP A 58 8.190 5.348 6.565 1.00 0.00 C ATOM 875 O ASP A 58 9.127 5.035 7.272 1.00 0.00 O ATOM 876 CB ASP A 58 7.153 7.618 6.869 1.00 0.00 C ATOM 877 CG ASP A 58 7.959 8.207 8.027 1.00 0.00 C ATOM 878 OD1 ASP A 58 8.943 8.876 7.757 1.00 0.00 O ATOM 879 OD2 ASP A 58 7.580 7.980 9.165 1.00 0.00 O ATOM 0 H ASP A 58 6.399 6.909 4.666 1.00 0.00 H new ATOM 0 HA ASP A 58 9.079 7.168 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.709 8.418 6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.332 7.013 7.254 1.00 0.00 H new ATOM 884 N MET A 59 7.251 4.491 6.271 1.00 0.00 N ATOM 885 CA MET A 59 7.319 3.100 6.808 1.00 0.00 C ATOM 886 C MET A 59 7.943 2.158 5.773 1.00 0.00 C ATOM 887 O MET A 59 8.033 0.966 5.982 1.00 0.00 O ATOM 888 CB MET A 59 5.867 2.709 7.081 1.00 0.00 C ATOM 889 CG MET A 59 5.212 3.763 7.974 1.00 0.00 C ATOM 890 SD MET A 59 3.445 3.857 7.600 1.00 0.00 S ATOM 891 CE MET A 59 2.844 3.699 9.300 1.00 0.00 C ATOM 0 H MET A 59 6.441 4.692 5.684 1.00 0.00 H new ATOM 0 HA MET A 59 7.935 3.036 7.705 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.320 2.623 6.142 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.827 1.733 7.564 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.359 3.508 9.024 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.681 4.734 7.813 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.819 3.328 9.291 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.478 3.001 9.847 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.873 4.673 9.788 1.00 0.00 H new ATOM 901 N VAL A 60 8.371 2.685 4.659 1.00 0.00 N ATOM 902 CA VAL A 60 8.985 1.815 3.615 1.00 0.00 C ATOM 903 C VAL A 60 10.485 2.099 3.501 1.00 0.00 C ATOM 904 O VAL A 60 10.923 2.835 2.640 1.00 0.00 O ATOM 905 CB VAL A 60 8.268 2.190 2.319 1.00 0.00 C ATOM 906 CG1 VAL A 60 8.711 1.248 1.200 1.00 0.00 C ATOM 907 CG2 VAL A 60 6.756 2.064 2.521 1.00 0.00 C ATOM 0 H VAL A 60 8.323 3.677 4.426 1.00 0.00 H new ATOM 0 HA VAL A 60 8.882 0.755 3.848 1.00 0.00 H new ATOM 0 HB VAL A 60 8.517 3.216 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.199 1.515 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.788 1.334 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.462 0.221 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.242 2.331 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.509 1.037 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.439 2.734 3.320 1.00 0.00 H new ATOM 917 N LYS A 61 11.276 1.517 4.361 1.00 0.00 N ATOM 918 CA LYS A 61 12.747 1.753 4.295 1.00 0.00 C ATOM 919 C LYS A 61 13.287 1.310 2.934 1.00 0.00 C ATOM 920 O LYS A 61 14.165 1.931 2.370 1.00 0.00 O ATOM 921 CB LYS A 61 13.339 0.900 5.418 1.00 0.00 C ATOM 922 CG LYS A 61 13.290 -0.577 5.021 1.00 0.00 C ATOM 923 CD LYS A 61 13.822 -1.433 6.173 1.00 0.00 C ATOM 924 CE LYS A 61 13.796 -2.908 5.765 1.00 0.00 C ATOM 925 NZ LYS A 61 14.640 -3.602 6.778 1.00 0.00 N ATOM 0 H LYS A 61 10.969 0.890 5.105 1.00 0.00 H new ATOM 0 HA LYS A 61 13.005 2.806 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.368 1.201 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.781 1.058 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.267 -0.866 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.887 -0.744 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.839 -1.132 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.214 -1.280 7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.779 -3.299 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.192 -3.047 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.671 -4.620 6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.604 -3.213 6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.235 -3.458 7.725 1.00 0.00 H new ATOM 939 N ASN A 62 12.762 0.241 2.397 1.00 0.00 N ATOM 940 CA ASN A 62 13.240 -0.237 1.067 1.00 0.00 C ATOM 941 C ASN A 62 12.260 0.199 -0.025 1.00 0.00 C ATOM 942 O ASN A 62 11.503 -0.594 -0.548 1.00 0.00 O ATOM 943 CB ASN A 62 13.282 -1.763 1.176 1.00 0.00 C ATOM 944 CG ASN A 62 11.956 -2.279 1.739 1.00 0.00 C ATOM 945 OD1 ASN A 62 10.898 -1.857 1.317 1.00 0.00 O ATOM 946 ND2 ASN A 62 11.969 -3.181 2.682 1.00 0.00 N ATOM 0 H ASN A 62 12.024 -0.321 2.821 1.00 0.00 H new ATOM 0 HA ASN A 62 14.216 0.173 0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.467 -2.202 0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.105 -2.068 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.091 -3.532 3.065 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.857 -3.535 3.036 1.00 0.00 H new ATOM 953 N TYR A 63 12.268 1.459 -0.370 1.00 0.00 N ATOM 954 CA TYR A 63 11.336 1.954 -1.423 1.00 0.00 C ATOM 955 C TYR A 63 11.342 1.012 -2.631 1.00 0.00 C ATOM 956 O TYR A 63 12.104 0.068 -2.693 1.00 0.00 O ATOM 957 CB TYR A 63 11.878 3.328 -1.814 1.00 0.00 C ATOM 958 CG TYR A 63 10.732 4.300 -1.964 1.00 0.00 C ATOM 959 CD1 TYR A 63 9.795 4.441 -0.933 1.00 0.00 C ATOM 960 CD2 TYR A 63 10.606 5.060 -3.132 1.00 0.00 C ATOM 961 CE1 TYR A 63 8.732 5.342 -1.072 1.00 0.00 C ATOM 962 CE2 TYR A 63 9.544 5.961 -3.271 1.00 0.00 C ATOM 963 CZ TYR A 63 8.607 6.103 -2.240 1.00 0.00 C ATOM 964 OH TYR A 63 7.560 6.992 -2.377 1.00 0.00 O ATOM 0 H TYR A 63 12.881 2.168 0.033 1.00 0.00 H new ATOM 0 HA TYR A 63 10.306 2.004 -1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 63 12.574 3.685 -1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 63 12.434 3.258 -2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 63 9.892 3.855 -0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 63 11.329 4.951 -3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.008 5.450 -0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 63 9.447 6.547 -4.173 1.00 0.00 H new ATOM 0 HH TYR A 63 7.623 7.440 -3.247 1.00 0.00 H new ATOM 974 N GLU A 64 10.500 1.269 -3.594 1.00 0.00 N ATOM 975 CA GLU A 64 10.458 0.392 -4.802 1.00 0.00 C ATOM 976 C GLU A 64 11.332 0.987 -5.914 1.00 0.00 C ATOM 977 O GLU A 64 12.285 1.694 -5.650 1.00 0.00 O ATOM 978 CB GLU A 64 8.974 0.324 -5.214 1.00 0.00 C ATOM 979 CG GLU A 64 8.315 1.709 -5.139 1.00 0.00 C ATOM 980 CD GLU A 64 9.215 2.760 -5.791 1.00 0.00 C ATOM 981 OE1 GLU A 64 10.142 3.206 -5.136 1.00 0.00 O ATOM 982 OE2 GLU A 64 8.963 3.100 -6.936 1.00 0.00 O ATOM 0 H GLU A 64 9.840 2.046 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 64 10.849 -0.606 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.893 -0.066 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.444 -0.370 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.348 1.687 -5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.128 1.975 -4.099 1.00 0.00 H new ATOM 989 N ASP A 65 11.027 0.711 -7.154 1.00 0.00 N ATOM 990 CA ASP A 65 11.853 1.267 -8.263 1.00 0.00 C ATOM 991 C ASP A 65 11.861 2.797 -8.204 1.00 0.00 C ATOM 992 O ASP A 65 11.104 3.460 -8.886 1.00 0.00 O ATOM 993 CB ASP A 65 11.172 0.784 -9.543 1.00 0.00 C ATOM 994 CG ASP A 65 12.184 0.775 -10.690 1.00 0.00 C ATOM 995 OD1 ASP A 65 13.262 0.239 -10.498 1.00 0.00 O ATOM 996 OD2 ASP A 65 11.862 1.304 -11.742 1.00 0.00 O ATOM 0 H ASP A 65 10.244 0.126 -7.446 1.00 0.00 H new ATOM 0 HA ASP A 65 12.892 0.943 -8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.765 -0.216 -9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.334 1.436 -9.789 1.00 0.00 H new ATOM 1001 N GLY A 66 12.713 3.363 -7.392 1.00 0.00 N ATOM 1002 CA GLY A 66 12.773 4.849 -7.286 1.00 0.00 C ATOM 1003 C GLY A 66 14.197 5.320 -7.585 1.00 0.00 C ATOM 1004 O GLY A 66 15.119 5.053 -6.841 1.00 0.00 O ATOM 0 H GLY A 66 13.371 2.859 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.073 5.304 -7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.475 5.166 -6.287 1.00 0.00 H new ATOM 1008 N THR A 67 14.386 6.018 -8.672 1.00 0.00 N ATOM 1009 CA THR A 67 15.753 6.503 -9.019 1.00 0.00 C ATOM 1010 C THR A 67 15.993 7.895 -8.429 1.00 0.00 C ATOM 1011 O THR A 67 16.718 8.697 -8.983 1.00 0.00 O ATOM 1012 CB THR A 67 15.777 6.557 -10.547 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.820 5.643 -11.066 1.00 0.00 O ATOM 1014 CG2 THR A 67 17.171 6.181 -11.052 1.00 0.00 C ATOM 0 H THR A 67 13.654 6.273 -9.334 1.00 0.00 H new ATOM 0 HA THR A 67 16.532 5.854 -8.620 1.00 0.00 H new ATOM 0 HB THR A 67 15.534 7.566 -10.879 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.832 5.677 -12.045 1.00 0.00 H new ATOM 0 HG21 THR A 67 17.186 6.220 -12.141 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.904 6.883 -10.654 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.418 5.172 -10.722 1.00 0.00 H new ATOM 1022 N THR A 68 15.392 8.189 -7.309 1.00 0.00 N ATOM 1023 CA THR A 68 15.590 9.531 -6.688 1.00 0.00 C ATOM 1024 C THR A 68 16.488 9.416 -5.453 1.00 0.00 C ATOM 1025 O THR A 68 17.121 10.368 -5.044 1.00 0.00 O ATOM 1026 CB THR A 68 14.189 9.997 -6.292 1.00 0.00 C ATOM 1027 OG1 THR A 68 13.359 10.024 -7.446 1.00 0.00 O ATOM 1028 CG2 THR A 68 14.269 11.399 -5.685 1.00 0.00 C ATOM 0 H THR A 68 14.773 7.560 -6.797 1.00 0.00 H new ATOM 0 HA THR A 68 16.074 10.232 -7.368 1.00 0.00 H new ATOM 0 HB THR A 68 13.769 9.310 -5.557 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.459 10.321 -7.195 1.00 0.00 H new ATOM 0 HG21 THR A 68 13.270 11.731 -5.403 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.907 11.377 -4.802 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.687 12.089 -6.418 1.00 0.00 H new ATOM 1036 N SER A 69 16.551 8.256 -4.858 1.00 0.00 N ATOM 1037 CA SER A 69 17.412 8.083 -3.652 1.00 0.00 C ATOM 1038 C SER A 69 17.387 6.624 -3.186 1.00 0.00 C ATOM 1039 O SER A 69 18.408 5.965 -3.158 1.00 0.00 O ATOM 1040 CB SER A 69 16.799 8.995 -2.592 1.00 0.00 C ATOM 1041 OG SER A 69 17.649 10.118 -2.391 1.00 0.00 O ATOM 0 H SER A 69 16.045 7.421 -5.154 1.00 0.00 H new ATOM 0 HA SER A 69 18.454 8.333 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.809 9.325 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.670 8.450 -1.657 1.00 0.00 H new ATOM 0 HG SER A 69 17.765 10.596 -3.238 1.00 0.00 H new ATOM 1047 N PRO A 70 16.215 6.168 -2.832 1.00 0.00 N ATOM 1048 CA PRO A 70 16.051 4.771 -2.360 1.00 0.00 C ATOM 1049 C PRO A 70 16.205 3.788 -3.524 1.00 0.00 C ATOM 1050 O PRO A 70 15.904 4.103 -4.659 1.00 0.00 O ATOM 1051 CB PRO A 70 14.628 4.744 -1.809 1.00 0.00 C ATOM 1052 CG PRO A 70 13.917 5.845 -2.529 1.00 0.00 C ATOM 1053 CD PRO A 70 14.945 6.901 -2.840 1.00 0.00 C ATOM 0 HA PRO A 70 16.796 4.480 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.152 3.781 -1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.618 4.906 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.456 5.473 -3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.117 6.255 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 70 14.759 7.368 -3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 70 14.938 7.697 -2.096 1.00 0.00 H new ATOM 1061 N GLY A 71 16.671 2.599 -3.252 1.00 0.00 N ATOM 1062 CA GLY A 71 16.842 1.598 -4.343 1.00 0.00 C ATOM 1063 C GLY A 71 17.808 0.503 -3.888 1.00 0.00 C ATOM 1064 O GLY A 71 17.538 -0.673 -4.028 1.00 0.00 O ATOM 0 H GLY A 71 16.940 2.278 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 71 15.878 1.161 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.225 2.085 -5.240 1.00 0.00 H new ATOM 1068 N LEU A 72 18.933 0.879 -3.347 1.00 0.00 N ATOM 1069 CA LEU A 72 19.917 -0.143 -2.886 1.00 0.00 C ATOM 1070 C LEU A 72 19.524 -0.675 -1.504 1.00 0.00 C ATOM 1071 O LEU A 72 19.350 0.076 -0.566 1.00 0.00 O ATOM 1072 CB LEU A 72 21.251 0.597 -2.814 1.00 0.00 C ATOM 1073 CG LEU A 72 22.102 0.241 -4.034 1.00 0.00 C ATOM 1074 CD1 LEU A 72 22.333 -1.272 -4.074 1.00 0.00 C ATOM 1075 CD2 LEU A 72 21.373 0.677 -5.307 1.00 0.00 C ATOM 0 H LEU A 72 19.215 1.849 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 72 19.962 -1.002 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 72 21.080 1.673 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 72 21.779 0.328 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 72 23.062 0.753 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 72 22.939 -1.525 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 72 22.851 -1.585 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 72 21.373 -1.785 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 72 21.978 0.424 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 72 20.413 0.164 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 72 21.207 1.754 -5.281 1.00 0.00 H new ATOM 1087 N LYS A 73 19.384 -1.966 -1.374 1.00 0.00 N ATOM 1088 CA LYS A 73 19.005 -2.544 -0.053 1.00 0.00 C ATOM 1089 C LYS A 73 20.256 -2.778 0.799 1.00 0.00 C ATOM 1090 O LYS A 73 21.318 -2.946 0.222 1.00 0.00 O ATOM 1091 CB LYS A 73 18.323 -3.872 -0.383 1.00 0.00 C ATOM 1092 CG LYS A 73 19.358 -4.850 -0.945 1.00 0.00 C ATOM 1093 CD LYS A 73 18.687 -6.193 -1.236 1.00 0.00 C ATOM 1094 CE LYS A 73 19.758 -7.274 -1.400 1.00 0.00 C ATOM 1095 NZ LYS A 73 19.069 -8.550 -1.062 1.00 0.00 N ATOM 1096 OXT LYS A 73 20.130 -2.787 2.013 1.00 0.00 O ATOM 0 H LYS A 73 19.515 -2.645 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 73 18.352 -1.882 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 73 17.861 -4.289 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.525 -3.713 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.798 -4.446 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 73 20.171 -4.985 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.010 -6.457 -0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.085 -6.122 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.148 -7.293 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.605 -7.095 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.739 -9.340 -1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.715 -8.505 -0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.272 -8.697 -1.713 1.00 0.00 H new TER 1110 LYS A 73