USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 427 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 98:sc= 1.05 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.1: A 3 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 45 TYR OH : rot -163:sc= 0.592 USER MOD Set 3.1: A 14 TYR OH : rot -108:sc= -0.0719 USER MOD Set 3.2: A 16 THR OG1 : rot -84:sc= 1.75 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -2.25 (180deg=-2.6) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -7.04! C(o=-7!,f=-17!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= -0.316 (180deg=-1.05) USER MOD Single : A 25 THR OG1 : rot -160:sc= -0.64 USER MOD Single : A 28 ASN : amide:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= -0.0674 (180deg=-0.988) USER MOD Single : A 40 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.79 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.099 2.714 3.919 1.00 0.00 N ATOM 2 CA MET A 1 13.475 4.150 3.842 1.00 0.00 C ATOM 3 C MET A 1 12.399 4.963 3.126 1.00 0.00 C ATOM 4 O MET A 1 11.744 5.810 3.731 1.00 0.00 O ATOM 5 CB MET A 1 14.812 4.268 3.106 1.00 0.00 C ATOM 6 CG MET A 1 15.575 5.537 3.440 1.00 0.00 C ATOM 7 SD MET A 1 17.298 5.222 3.879 1.00 0.00 S ATOM 8 CE MET A 1 17.330 5.829 5.564 1.00 0.00 C ATOM 0 H1 MET A 1 13.922 2.155 4.222 1.00 0.00 H new ATOM 0 H2 MET A 1 12.327 2.594 4.606 1.00 0.00 H new ATOM 0 H3 MET A 1 12.784 2.387 2.983 1.00 0.00 H new ATOM 0 HA MET A 1 13.570 4.551 4.851 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.431 3.405 3.352 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.631 4.234 2.032 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.540 6.212 2.585 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.081 6.045 4.268 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.331 5.704 5.977 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.062 6.886 5.575 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.616 5.268 6.167 1.00 0.00 H new ATOM 20 N TYR A 2 12.215 4.693 1.837 1.00 0.00 N ATOM 21 CA TYR A 2 11.210 5.391 1.038 1.00 0.00 C ATOM 22 C TYR A 2 10.500 4.411 0.109 1.00 0.00 C ATOM 23 O TYR A 2 10.967 4.141 -0.997 1.00 0.00 O ATOM 24 CB TYR A 2 11.859 6.500 0.221 1.00 0.00 C ATOM 25 CG TYR A 2 13.022 6.026 -0.623 1.00 0.00 C ATOM 26 CD1 TYR A 2 14.251 5.750 -0.042 1.00 0.00 C ATOM 27 CD2 TYR A 2 12.886 5.843 -1.992 1.00 0.00 C ATOM 28 CE1 TYR A 2 15.312 5.304 -0.802 1.00 0.00 C ATOM 29 CE2 TYR A 2 13.942 5.397 -2.761 1.00 0.00 C ATOM 30 CZ TYR A 2 15.154 5.131 -2.160 1.00 0.00 C ATOM 31 OH TYR A 2 16.211 4.689 -2.922 1.00 0.00 O ATOM 0 H TYR A 2 12.750 3.994 1.321 1.00 0.00 H new ATOM 0 HA TYR A 2 10.478 5.833 1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 2 11.108 6.949 -0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 2 12.205 7.283 0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 2 14.379 5.886 1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 2 11.938 6.053 -2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 2 16.262 5.091 -0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 2 13.820 5.258 -3.825 1.00 0.00 H new ATOM 0 HH TYR A 2 15.932 4.619 -3.859 1.00 0.00 H new ATOM 41 N TYR A 3 9.375 3.869 0.571 1.00 0.00 N ATOM 42 CA TYR A 3 8.610 2.906 -0.214 1.00 0.00 C ATOM 43 C TYR A 3 7.256 3.485 -0.603 1.00 0.00 C ATOM 44 O TYR A 3 6.703 4.326 0.107 1.00 0.00 O ATOM 45 CB TYR A 3 8.404 1.611 0.575 1.00 0.00 C ATOM 46 CG TYR A 3 9.661 0.786 0.792 1.00 0.00 C ATOM 47 CD1 TYR A 3 10.869 1.379 1.146 1.00 0.00 C ATOM 48 CD2 TYR A 3 9.631 -0.595 0.649 1.00 0.00 C ATOM 49 CE1 TYR A 3 12.006 0.618 1.346 1.00 0.00 C ATOM 50 CE2 TYR A 3 10.764 -1.360 0.851 1.00 0.00 C ATOM 51 CZ TYR A 3 11.947 -0.749 1.197 1.00 0.00 C ATOM 52 OH TYR A 3 13.077 -1.510 1.397 1.00 0.00 O ATOM 0 H TYR A 3 8.974 4.081 1.485 1.00 0.00 H new ATOM 0 HA TYR A 3 9.176 2.686 -1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.978 1.859 1.547 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.670 0.997 0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.919 2.451 1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.706 -1.080 0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.936 1.094 1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.721 -2.433 0.738 1.00 0.00 H new ATOM 0 HH TYR A 3 12.864 -2.456 1.253 1.00 0.00 H new ATOM 62 N LEU A 4 6.722 3.032 -1.733 1.00 0.00 N ATOM 63 CA LEU A 4 5.425 3.509 -2.208 1.00 0.00 C ATOM 64 C LEU A 4 4.473 2.341 -2.410 1.00 0.00 C ATOM 65 O LEU A 4 4.914 1.213 -2.631 1.00 0.00 O ATOM 66 CB LEU A 4 5.584 4.288 -3.517 1.00 0.00 C ATOM 67 CG LEU A 4 6.860 5.125 -3.629 1.00 0.00 C ATOM 68 CD1 LEU A 4 7.098 5.909 -2.347 1.00 0.00 C ATOM 69 CD2 LEU A 4 8.056 4.239 -3.946 1.00 0.00 C ATOM 0 H LEU A 4 7.164 2.338 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 4 5.009 4.177 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.559 3.581 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.725 4.948 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 4 6.735 5.835 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.010 6.498 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.254 6.574 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.201 5.217 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.954 4.853 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.185 3.504 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.887 3.725 -4.892 1.00 0.00 H new ATOM 81 N VAL A 5 3.168 2.597 -2.336 1.00 0.00 N ATOM 82 CA VAL A 5 2.203 1.521 -2.517 1.00 0.00 C ATOM 83 C VAL A 5 1.067 1.901 -3.466 1.00 0.00 C ATOM 84 O VAL A 5 0.631 3.050 -3.505 1.00 0.00 O ATOM 85 CB VAL A 5 1.597 1.039 -1.178 1.00 0.00 C ATOM 86 CG1 VAL A 5 0.502 1.951 -0.686 1.00 0.00 C ATOM 87 CG2 VAL A 5 1.050 -0.353 -1.347 1.00 0.00 C ATOM 0 H VAL A 5 2.764 3.516 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 5 2.773 0.706 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 5 2.394 1.048 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.108 1.571 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.904 2.953 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.299 1.990 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.623 -0.693 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.277 -0.349 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.854 -1.026 -1.645 1.00 0.00 H new ATOM 97 N VAL A 6 0.587 0.908 -4.212 1.00 0.00 N ATOM 98 CA VAL A 6 -0.507 1.092 -5.149 1.00 0.00 C ATOM 99 C VAL A 6 -1.518 -0.050 -5.035 1.00 0.00 C ATOM 100 O VAL A 6 -1.216 -1.203 -5.330 1.00 0.00 O ATOM 101 CB VAL A 6 0.020 1.176 -6.597 1.00 0.00 C ATOM 102 CG1 VAL A 6 1.122 2.216 -6.700 1.00 0.00 C ATOM 103 CG2 VAL A 6 0.531 -0.178 -7.055 1.00 0.00 C ATOM 0 H VAL A 6 0.949 -0.045 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.004 2.029 -4.899 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.803 1.475 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.483 2.263 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.731 3.191 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.944 1.942 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.899 -0.101 -8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.341 -0.501 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.280 -0.905 -7.015 1.00 0.00 H new ATOM 113 N ASN A 7 -2.720 0.288 -4.600 1.00 0.00 N ATOM 114 CA ASN A 7 -3.788 -0.694 -4.433 1.00 0.00 C ATOM 115 C ASN A 7 -4.501 -0.960 -5.756 1.00 0.00 C ATOM 116 O ASN A 7 -4.918 -0.028 -6.444 1.00 0.00 O ATOM 117 CB ASN A 7 -4.788 -0.205 -3.370 1.00 0.00 C ATOM 118 CG ASN A 7 -6.104 -0.971 -3.357 1.00 0.00 C ATOM 119 OD1 ASN A 7 -6.384 -1.783 -4.239 1.00 0.00 O ATOM 120 ND2 ASN A 7 -6.924 -0.710 -2.346 1.00 0.00 N ATOM 0 H ASN A 7 -2.986 1.241 -4.353 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.345 -1.632 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.324 -0.284 -2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.996 0.851 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.822 -1.189 -2.281 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.656 -0.030 -1.634 1.00 0.00 H new ATOM 127 N LYS A 8 -4.653 -2.238 -6.100 1.00 0.00 N ATOM 128 CA LYS A 8 -5.335 -2.608 -7.335 1.00 0.00 C ATOM 129 C LYS A 8 -6.300 -3.771 -7.099 1.00 0.00 C ATOM 130 O LYS A 8 -5.884 -4.885 -6.791 1.00 0.00 O ATOM 131 CB LYS A 8 -4.303 -2.979 -8.412 1.00 0.00 C ATOM 132 CG LYS A 8 -4.888 -3.612 -9.667 1.00 0.00 C ATOM 133 CD LYS A 8 -3.993 -4.711 -10.211 1.00 0.00 C ATOM 134 CE LYS A 8 -3.841 -4.623 -11.719 1.00 0.00 C ATOM 135 NZ LYS A 8 -2.534 -5.159 -12.184 1.00 0.00 N ATOM 0 H LYS A 8 -4.316 -3.026 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.916 -1.752 -7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.757 -2.080 -8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.578 -3.668 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.873 -4.022 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.028 -2.846 -10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.011 -4.645 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.408 -5.683 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.649 -5.176 -12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.938 -3.583 -12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.474 -5.079 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.761 -4.615 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.451 -6.159 -11.909 1.00 0.00 H new ATOM 149 N GLY A 9 -7.587 -3.507 -7.261 1.00 0.00 N ATOM 150 CA GLY A 9 -8.588 -4.540 -7.072 1.00 0.00 C ATOM 151 C GLY A 9 -9.478 -4.703 -8.288 1.00 0.00 C ATOM 152 O GLY A 9 -8.988 -4.887 -9.403 1.00 0.00 O ATOM 0 H GLY A 9 -7.959 -2.593 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.094 -5.487 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.201 -4.295 -6.205 1.00 0.00 H new ATOM 156 N GLN A 10 -10.785 -4.634 -8.073 1.00 0.00 N ATOM 157 CA GLN A 10 -11.742 -4.775 -9.164 1.00 0.00 C ATOM 158 C GLN A 10 -12.479 -3.461 -9.418 1.00 0.00 C ATOM 159 O GLN A 10 -12.882 -3.173 -10.541 1.00 0.00 O ATOM 160 CB GLN A 10 -12.747 -5.883 -8.847 1.00 0.00 C ATOM 161 CG GLN A 10 -13.458 -5.697 -7.516 1.00 0.00 C ATOM 162 CD GLN A 10 -14.946 -5.974 -7.606 1.00 0.00 C ATOM 163 OE1 GLN A 10 -15.764 -5.055 -7.572 1.00 0.00 O ATOM 164 NE2 GLN A 10 -15.309 -7.247 -7.724 1.00 0.00 N ATOM 0 H GLN A 10 -11.206 -4.482 -7.157 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.190 -5.040 -10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.490 -5.927 -9.643 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.229 -6.842 -8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.013 -6.361 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.303 -4.677 -7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.600 -7.979 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.297 -7.492 -7.790 1.00 0.00 H new ATOM 173 N ASN A 11 -12.656 -2.670 -8.365 1.00 0.00 N ATOM 174 CA ASN A 11 -13.343 -1.395 -8.469 1.00 0.00 C ATOM 175 C ASN A 11 -12.809 -0.392 -7.448 1.00 0.00 C ATOM 176 O ASN A 11 -13.576 0.316 -6.798 1.00 0.00 O ATOM 177 CB ASN A 11 -14.839 -1.603 -8.253 1.00 0.00 C ATOM 178 CG ASN A 11 -15.677 -0.517 -8.909 1.00 0.00 C ATOM 179 OD1 ASN A 11 -15.583 -0.290 -10.114 1.00 0.00 O ATOM 180 ND2 ASN A 11 -16.500 0.157 -8.114 1.00 0.00 N ATOM 0 H ASN A 11 -12.329 -2.895 -7.425 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.165 -0.991 -9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.129 -2.574 -8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -15.049 -1.624 -7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.087 0.897 -8.498 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -16.545 -0.066 -7.120 1.00 0.00 H new ATOM 187 N ALA A 12 -11.487 -0.337 -7.306 1.00 0.00 N ATOM 188 CA ALA A 12 -10.864 0.581 -6.355 1.00 0.00 C ATOM 189 C ALA A 12 -9.352 0.650 -6.545 1.00 0.00 C ATOM 190 O ALA A 12 -8.669 -0.369 -6.535 1.00 0.00 O ATOM 191 CB ALA A 12 -11.204 0.170 -4.934 1.00 0.00 C ATOM 0 H ALA A 12 -10.830 -0.913 -7.833 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.262 1.578 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.735 0.861 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.285 0.193 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.837 -0.839 -4.749 1.00 0.00 H new ATOM 197 N PHE A 13 -8.842 1.866 -6.712 1.00 0.00 N ATOM 198 CA PHE A 13 -7.411 2.087 -6.893 1.00 0.00 C ATOM 199 C PHE A 13 -6.902 3.132 -5.902 1.00 0.00 C ATOM 200 O PHE A 13 -7.313 4.294 -5.950 1.00 0.00 O ATOM 201 CB PHE A 13 -7.122 2.541 -8.327 1.00 0.00 C ATOM 202 CG PHE A 13 -6.388 1.520 -9.147 1.00 0.00 C ATOM 203 CD1 PHE A 13 -6.891 0.239 -9.300 1.00 0.00 C ATOM 204 CD2 PHE A 13 -5.184 1.841 -9.758 1.00 0.00 C ATOM 205 CE1 PHE A 13 -6.216 -0.701 -10.055 1.00 0.00 C ATOM 206 CE2 PHE A 13 -4.506 0.905 -10.515 1.00 0.00 C ATOM 207 CZ PHE A 13 -5.023 -0.367 -10.663 1.00 0.00 C ATOM 0 H PHE A 13 -9.402 2.718 -6.726 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.891 1.147 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.064 2.780 -8.820 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.536 3.459 -8.297 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.822 -0.029 -8.823 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.773 2.833 -9.641 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.621 -1.696 -10.169 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.573 1.168 -10.991 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.494 -1.100 -11.254 1.00 0.00 H new ATOM 217 N TYR A 14 -6.022 2.713 -5.004 1.00 0.00 N ATOM 218 CA TYR A 14 -5.472 3.617 -4.001 1.00 0.00 C ATOM 219 C TYR A 14 -3.971 3.395 -3.818 1.00 0.00 C ATOM 220 O TYR A 14 -3.534 2.296 -3.493 1.00 0.00 O ATOM 221 CB TYR A 14 -6.194 3.417 -2.663 1.00 0.00 C ATOM 222 CG TYR A 14 -5.352 3.784 -1.460 1.00 0.00 C ATOM 223 CD1 TYR A 14 -5.293 5.095 -1.008 1.00 0.00 C ATOM 224 CD2 TYR A 14 -4.605 2.823 -0.789 1.00 0.00 C ATOM 225 CE1 TYR A 14 -4.516 5.438 0.082 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.830 3.160 0.301 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.789 4.468 0.732 1.00 0.00 C ATOM 228 OH TYR A 14 -3.024 4.802 1.828 1.00 0.00 O ATOM 0 H TYR A 14 -5.674 1.756 -4.948 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.625 4.639 -4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.103 4.018 -2.657 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.501 2.375 -2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.863 5.859 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.632 1.797 -1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.480 6.463 0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.258 2.402 0.815 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.075 4.765 1.588 1.00 0.00 H new ATOM 238 N GLU A 15 -3.187 4.449 -3.996 1.00 0.00 N ATOM 239 CA GLU A 15 -1.749 4.361 -3.823 1.00 0.00 C ATOM 240 C GLU A 15 -1.261 5.501 -2.940 1.00 0.00 C ATOM 241 O GLU A 15 -1.667 6.650 -3.106 1.00 0.00 O ATOM 242 CB GLU A 15 -1.034 4.381 -5.182 1.00 0.00 C ATOM 243 CG GLU A 15 0.041 5.446 -5.302 1.00 0.00 C ATOM 244 CD GLU A 15 0.511 5.650 -6.730 1.00 0.00 C ATOM 245 OE1 GLU A 15 -0.193 5.199 -7.657 1.00 0.00 O ATOM 246 OE2 GLU A 15 1.585 6.260 -6.920 1.00 0.00 O ATOM 0 H GLU A 15 -3.525 5.374 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.513 3.415 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.584 3.404 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.774 4.537 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.343 6.389 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.892 5.168 -4.681 1.00 0.00 H new ATOM 253 N THR A 16 -0.393 5.170 -2.003 1.00 0.00 N ATOM 254 CA THR A 16 0.151 6.164 -1.089 1.00 0.00 C ATOM 255 C THR A 16 1.644 5.968 -0.857 1.00 0.00 C ATOM 256 O THR A 16 2.061 4.980 -0.261 1.00 0.00 O ATOM 257 CB THR A 16 -0.581 6.110 0.248 1.00 0.00 C ATOM 258 OG1 THR A 16 -1.116 4.819 0.466 1.00 0.00 O ATOM 259 CG2 THR A 16 -1.714 7.109 0.345 1.00 0.00 C ATOM 0 H THR A 16 -0.048 4.222 -1.852 1.00 0.00 H new ATOM 0 HA THR A 16 0.005 7.140 -1.551 1.00 0.00 H new ATOM 0 HB THR A 16 0.163 6.360 1.005 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.981 4.742 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.195 7.021 1.319 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.320 8.118 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.444 6.908 -0.439 1.00 0.00 H new ATOM 267 N LEU A 17 2.430 6.933 -1.313 1.00 0.00 N ATOM 268 CA LEU A 17 3.878 6.905 -1.141 1.00 0.00 C ATOM 269 C LEU A 17 4.260 7.534 0.199 1.00 0.00 C ATOM 270 O LEU A 17 4.063 8.731 0.411 1.00 0.00 O ATOM 271 CB LEU A 17 4.565 7.653 -2.282 1.00 0.00 C ATOM 272 CG LEU A 17 3.972 9.023 -2.615 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.896 10.126 -2.138 1.00 0.00 C ATOM 274 CD2 LEU A 17 3.717 9.136 -4.109 1.00 0.00 C ATOM 0 H LEU A 17 2.085 7.754 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 17 4.209 5.867 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.617 7.783 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.527 7.032 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 17 3.019 9.131 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.461 11.095 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.028 10.049 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.864 10.028 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.295 10.116 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.656 9.013 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.017 8.360 -4.418 1.00 0.00 H new ATOM 286 N THR A 18 4.796 6.719 1.103 1.00 0.00 N ATOM 287 CA THR A 18 5.192 7.195 2.427 1.00 0.00 C ATOM 288 C THR A 18 6.531 6.596 2.848 1.00 0.00 C ATOM 289 O THR A 18 6.890 5.495 2.422 1.00 0.00 O ATOM 290 CB THR A 18 4.096 6.866 3.457 1.00 0.00 C ATOM 291 OG1 THR A 18 3.611 8.052 4.060 1.00 0.00 O ATOM 292 CG2 THR A 18 4.537 5.937 4.579 1.00 0.00 C ATOM 0 H THR A 18 4.967 5.726 0.944 1.00 0.00 H new ATOM 0 HA THR A 18 5.314 8.277 2.382 1.00 0.00 H new ATOM 0 HB THR A 18 3.327 6.352 2.881 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.914 7.827 4.711 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.701 5.761 5.256 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.868 4.988 4.157 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.359 6.395 5.129 1.00 0.00 H new ATOM 300 N LYS A 19 7.264 7.316 3.694 1.00 0.00 N ATOM 301 CA LYS A 19 8.555 6.839 4.178 1.00 0.00 C ATOM 302 C LYS A 19 8.433 5.402 4.670 1.00 0.00 C ATOM 303 O LYS A 19 7.365 4.977 5.111 1.00 0.00 O ATOM 304 CB LYS A 19 9.082 7.743 5.294 1.00 0.00 C ATOM 305 CG LYS A 19 9.810 8.977 4.784 1.00 0.00 C ATOM 306 CD LYS A 19 11.059 8.606 4.002 1.00 0.00 C ATOM 307 CE LYS A 19 11.526 9.752 3.127 1.00 0.00 C ATOM 308 NZ LYS A 19 10.437 10.268 2.252 1.00 0.00 N ATOM 0 H LYS A 19 6.987 8.228 4.057 1.00 0.00 H new ATOM 0 HA LYS A 19 9.266 6.868 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.247 8.057 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.758 7.168 5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.141 9.558 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.083 9.613 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.854 8.328 4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.856 7.733 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.898 10.560 3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.360 9.419 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.822 10.485 1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.692 9.548 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.036 11.132 2.670 1.00 0.00 H new ATOM 322 N ALA A 20 9.518 4.647 4.565 1.00 0.00 N ATOM 323 CA ALA A 20 9.508 3.249 4.970 1.00 0.00 C ATOM 324 C ALA A 20 10.511 2.936 6.066 1.00 0.00 C ATOM 325 O ALA A 20 10.499 1.841 6.617 1.00 0.00 O ATOM 326 CB ALA A 20 9.776 2.366 3.767 1.00 0.00 C ATOM 0 H ALA A 20 10.413 4.978 4.204 1.00 0.00 H new ATOM 0 HA ALA A 20 8.518 3.047 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.768 1.320 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.003 2.530 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.750 2.612 3.345 1.00 0.00 H new ATOM 332 N VAL A 21 11.387 3.880 6.361 1.00 0.00 N ATOM 333 CA VAL A 21 12.412 3.672 7.381 1.00 0.00 C ATOM 334 C VAL A 21 13.287 2.470 7.022 1.00 0.00 C ATOM 335 O VAL A 21 14.456 2.622 6.662 1.00 0.00 O ATOM 336 CB VAL A 21 11.791 3.449 8.775 1.00 0.00 C ATOM 337 CG1 VAL A 21 12.872 3.377 9.840 1.00 0.00 C ATOM 338 CG2 VAL A 21 10.790 4.549 9.094 1.00 0.00 C ATOM 0 H VAL A 21 11.413 4.796 5.914 1.00 0.00 H new ATOM 0 HA VAL A 21 13.022 4.575 7.414 1.00 0.00 H new ATOM 0 HB VAL A 21 11.261 2.496 8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.412 3.219 10.815 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.546 2.550 9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.435 4.310 9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.362 4.376 10.081 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.295 5.515 9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.995 4.545 8.348 1.00 0.00 H new ATOM 348 N ASP A 22 12.702 1.276 7.098 1.00 0.00 N ATOM 349 CA ASP A 22 13.392 0.045 6.762 1.00 0.00 C ATOM 350 C ASP A 22 12.563 -0.749 5.753 1.00 0.00 C ATOM 351 O ASP A 22 11.684 -0.196 5.092 1.00 0.00 O ATOM 352 CB ASP A 22 13.642 -0.787 8.023 1.00 0.00 C ATOM 353 CG ASP A 22 15.023 -1.412 8.039 1.00 0.00 C ATOM 354 OD1 ASP A 22 16.015 -0.660 8.144 1.00 0.00 O ATOM 355 OD2 ASP A 22 15.114 -2.654 7.950 1.00 0.00 O ATOM 0 H ASP A 22 11.736 1.141 7.395 1.00 0.00 H new ATOM 0 HA ASP A 22 14.357 0.287 6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.523 -0.154 8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.890 -1.573 8.091 1.00 0.00 H new ATOM 360 N ALA A 23 12.838 -2.039 5.641 1.00 0.00 N ATOM 361 CA ALA A 23 12.109 -2.895 4.709 1.00 0.00 C ATOM 362 C ALA A 23 10.856 -3.478 5.354 1.00 0.00 C ATOM 363 O ALA A 23 9.738 -3.097 5.012 1.00 0.00 O ATOM 364 CB ALA A 23 13.006 -4.006 4.196 1.00 0.00 C ATOM 0 H ALA A 23 13.558 -2.518 6.181 1.00 0.00 H new ATOM 0 HA ALA A 23 11.796 -2.279 3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.447 -4.634 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.864 -3.573 3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.353 -4.610 5.034 1.00 0.00 H new ATOM 370 N GLU A 24 11.049 -4.397 6.297 1.00 0.00 N ATOM 371 CA GLU A 24 9.928 -5.018 6.993 1.00 0.00 C ATOM 372 C GLU A 24 9.134 -3.967 7.756 1.00 0.00 C ATOM 373 O GLU A 24 7.966 -4.166 8.085 1.00 0.00 O ATOM 374 CB GLU A 24 10.413 -6.096 7.954 1.00 0.00 C ATOM 375 CG GLU A 24 11.334 -7.120 7.310 1.00 0.00 C ATOM 376 CD GLU A 24 10.574 -8.198 6.562 1.00 0.00 C ATOM 377 OE1 GLU A 24 9.907 -7.865 5.559 1.00 0.00 O ATOM 378 OE2 GLU A 24 10.647 -9.373 6.976 1.00 0.00 O ATOM 0 H GLU A 24 11.967 -4.726 6.595 1.00 0.00 H new ATOM 0 HA GLU A 24 9.284 -5.484 6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.936 -5.621 8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.549 -6.611 8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.010 -6.613 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.951 -7.583 8.080 1.00 0.00 H new ATOM 385 N THR A 25 9.774 -2.832 7.990 1.00 0.00 N ATOM 386 CA THR A 25 9.145 -1.715 8.662 1.00 0.00 C ATOM 387 C THR A 25 8.148 -1.117 7.700 1.00 0.00 C ATOM 388 O THR A 25 7.032 -0.772 8.069 1.00 0.00 O ATOM 389 CB THR A 25 10.184 -0.671 9.079 1.00 0.00 C ATOM 390 OG1 THR A 25 11.274 -1.286 9.740 1.00 0.00 O ATOM 391 CG2 THR A 25 9.626 0.392 10.000 1.00 0.00 C ATOM 0 H THR A 25 10.743 -2.663 7.718 1.00 0.00 H new ATOM 0 HA THR A 25 8.648 -2.051 9.572 1.00 0.00 H new ATOM 0 HB THR A 25 10.504 -0.194 8.153 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.757 -0.616 10.268 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.414 1.100 10.258 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.814 0.919 9.498 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.248 -0.076 10.909 1.00 0.00 H new ATOM 399 N ALA A 26 8.548 -1.064 6.435 1.00 0.00 N ATOM 400 CA ALA A 26 7.671 -0.586 5.395 1.00 0.00 C ATOM 401 C ALA A 26 6.622 -1.651 5.145 1.00 0.00 C ATOM 402 O ALA A 26 5.534 -1.376 4.651 1.00 0.00 O ATOM 403 CB ALA A 26 8.461 -0.303 4.130 1.00 0.00 C ATOM 0 H ALA A 26 9.474 -1.347 6.114 1.00 0.00 H new ATOM 0 HA ALA A 26 7.192 0.345 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.787 0.057 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.217 0.455 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.948 -1.218 3.793 1.00 0.00 H new ATOM 409 N ARG A 27 6.967 -2.881 5.515 1.00 0.00 N ATOM 410 CA ARG A 27 6.066 -4.007 5.357 1.00 0.00 C ATOM 411 C ARG A 27 5.031 -4.010 6.463 1.00 0.00 C ATOM 412 O ARG A 27 3.856 -4.246 6.212 1.00 0.00 O ATOM 413 CB ARG A 27 6.850 -5.323 5.373 1.00 0.00 C ATOM 414 CG ARG A 27 5.973 -6.559 5.235 1.00 0.00 C ATOM 415 CD ARG A 27 5.358 -6.655 3.848 1.00 0.00 C ATOM 416 NE ARG A 27 5.523 -7.987 3.268 1.00 0.00 N ATOM 417 CZ ARG A 27 5.479 -8.239 1.961 1.00 0.00 C ATOM 418 NH1 ARG A 27 5.275 -7.255 1.093 1.00 0.00 N ATOM 419 NH2 ARG A 27 5.640 -9.479 1.521 1.00 0.00 N ATOM 0 H ARG A 27 7.869 -3.119 5.928 1.00 0.00 H new ATOM 0 HA ARG A 27 5.558 -3.911 4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.578 -5.312 4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.412 -5.389 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.567 -7.451 5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.181 -6.530 5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.297 -6.413 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.820 -5.915 3.194 1.00 0.00 H new ATOM 0 HE ARG A 27 5.681 -8.770 3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.151 -6.299 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.243 -7.455 0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.797 -10.239 2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.607 -9.673 0.520 1.00 0.00 H new ATOM 433 N ASN A 28 5.478 -3.751 7.687 1.00 0.00 N ATOM 434 CA ASN A 28 4.583 -3.739 8.841 1.00 0.00 C ATOM 435 C ASN A 28 4.015 -2.349 9.117 1.00 0.00 C ATOM 436 O ASN A 28 2.814 -2.194 9.311 1.00 0.00 O ATOM 437 CB ASN A 28 5.319 -4.253 10.079 1.00 0.00 C ATOM 438 CG ASN A 28 4.377 -4.550 11.230 1.00 0.00 C ATOM 439 OD1 ASN A 28 3.933 -5.685 11.404 1.00 0.00 O ATOM 440 ND2 ASN A 28 4.068 -3.530 12.021 1.00 0.00 N ATOM 0 H ASN A 28 6.453 -3.547 7.907 1.00 0.00 H new ATOM 0 HA ASN A 28 3.745 -4.396 8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.870 -5.158 9.821 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.053 -3.512 10.396 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.439 -3.670 12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.460 -2.606 11.839 1.00 0.00 H new ATOM 447 N ALA A 29 4.884 -1.347 9.158 1.00 0.00 N ATOM 448 CA ALA A 29 4.460 0.024 9.438 1.00 0.00 C ATOM 449 C ALA A 29 3.581 0.595 8.330 1.00 0.00 C ATOM 450 O ALA A 29 2.514 1.149 8.596 1.00 0.00 O ATOM 451 CB ALA A 29 5.676 0.915 9.641 1.00 0.00 C ATOM 0 H ALA A 29 5.886 -1.455 9.001 1.00 0.00 H new ATOM 0 HA ALA A 29 3.864 -0.002 10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.350 1.934 9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.263 0.543 10.481 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.288 0.907 8.739 1.00 0.00 H new ATOM 457 N PHE A 30 4.045 0.479 7.093 1.00 0.00 N ATOM 458 CA PHE A 30 3.313 1.005 5.949 1.00 0.00 C ATOM 459 C PHE A 30 1.997 0.271 5.722 1.00 0.00 C ATOM 460 O PHE A 30 0.951 0.898 5.563 1.00 0.00 O ATOM 461 CB PHE A 30 4.183 0.893 4.701 1.00 0.00 C ATOM 462 CG PHE A 30 3.964 1.952 3.661 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.064 2.992 3.844 1.00 0.00 C ATOM 464 CD2 PHE A 30 4.682 1.893 2.484 1.00 0.00 C ATOM 465 CE1 PHE A 30 2.891 3.949 2.863 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.517 2.845 1.504 1.00 0.00 C ATOM 467 CZ PHE A 30 3.622 3.874 1.693 1.00 0.00 C ATOM 0 H PHE A 30 4.927 0.024 6.856 1.00 0.00 H new ATOM 0 HA PHE A 30 3.075 2.048 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.229 0.919 5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.008 -0.081 4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.495 3.054 4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.384 1.087 2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.186 4.754 3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.088 2.785 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.491 4.623 0.926 1.00 0.00 H new ATOM 477 N ILE A 31 2.050 -1.056 5.681 1.00 0.00 N ATOM 478 CA ILE A 31 0.868 -1.853 5.447 1.00 0.00 C ATOM 479 C ILE A 31 -0.302 -1.446 6.337 1.00 0.00 C ATOM 480 O ILE A 31 -1.453 -1.514 5.917 1.00 0.00 O ATOM 481 CB ILE A 31 1.189 -3.333 5.638 1.00 0.00 C ATOM 482 CG1 ILE A 31 0.092 -4.195 5.056 1.00 0.00 C ATOM 483 CG2 ILE A 31 1.430 -3.670 7.088 1.00 0.00 C ATOM 484 CD1 ILE A 31 0.647 -5.342 4.260 1.00 0.00 C ATOM 0 H ILE A 31 2.905 -1.597 5.808 1.00 0.00 H new ATOM 0 HA ILE A 31 0.559 -1.674 4.417 1.00 0.00 H new ATOM 0 HB ILE A 31 2.114 -3.543 5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.533 -4.580 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.549 -3.586 4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.655 -4.732 7.182 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.271 -3.086 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.538 -3.435 7.669 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.173 -5.937 3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.251 -4.956 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.267 -5.966 4.904 1.00 0.00 H new ATOM 496 N GLN A 32 -0.008 -1.017 7.555 1.00 0.00 N ATOM 497 CA GLN A 32 -1.062 -0.599 8.479 1.00 0.00 C ATOM 498 C GLN A 32 -1.762 0.648 7.961 1.00 0.00 C ATOM 499 O GLN A 32 -2.990 0.706 7.898 1.00 0.00 O ATOM 500 CB GLN A 32 -0.494 -0.321 9.872 1.00 0.00 C ATOM 501 CG GLN A 32 0.518 -1.351 10.336 1.00 0.00 C ATOM 502 CD GLN A 32 0.150 -1.972 11.670 1.00 0.00 C ATOM 503 OE1 GLN A 32 -0.564 -2.973 11.727 1.00 0.00 O ATOM 504 NE2 GLN A 32 0.638 -1.377 12.753 1.00 0.00 N ATOM 0 H GLN A 32 0.939 -0.948 7.928 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.782 -1.415 8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.024 0.663 9.873 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.315 -0.283 10.588 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.602 -2.136 9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.498 -0.881 10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.226 -0.549 12.659 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.425 -1.748 13.679 1.00 0.00 H new ATOM 513 N SER A 33 -0.969 1.645 7.596 1.00 0.00 N ATOM 514 CA SER A 33 -1.500 2.900 7.085 1.00 0.00 C ATOM 515 C SER A 33 -2.026 2.727 5.671 1.00 0.00 C ATOM 516 O SER A 33 -3.098 3.229 5.333 1.00 0.00 O ATOM 517 CB SER A 33 -0.423 3.987 7.117 1.00 0.00 C ATOM 518 OG SER A 33 -0.781 5.085 6.295 1.00 0.00 O ATOM 0 H SER A 33 0.049 1.608 7.645 1.00 0.00 H new ATOM 0 HA SER A 33 -2.327 3.205 7.726 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.277 4.328 8.142 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.527 3.572 6.781 1.00 0.00 H new ATOM 0 HG SER A 33 -0.077 5.766 6.334 1.00 0.00 H new ATOM 524 N LEU A 34 -1.278 2.005 4.849 1.00 0.00 N ATOM 525 CA LEU A 34 -1.696 1.764 3.481 1.00 0.00 C ATOM 526 C LEU A 34 -3.009 1.002 3.487 1.00 0.00 C ATOM 527 O LEU A 34 -3.902 1.270 2.684 1.00 0.00 O ATOM 528 CB LEU A 34 -0.590 1.020 2.713 1.00 0.00 C ATOM 529 CG LEU A 34 -1.009 -0.090 1.736 1.00 0.00 C ATOM 530 CD1 LEU A 34 -1.475 -1.332 2.475 1.00 0.00 C ATOM 531 CD2 LEU A 34 -2.082 0.383 0.797 1.00 0.00 C ATOM 0 H LEU A 34 -0.387 1.580 5.105 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.860 2.710 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.018 1.759 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.088 0.581 3.446 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.127 -0.348 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.764 -2.097 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.665 -1.709 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.331 -1.083 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.355 -0.426 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.958 0.688 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.713 1.230 0.220 1.00 0.00 H new ATOM 543 N LYS A 35 -3.134 0.089 4.433 1.00 0.00 N ATOM 544 CA LYS A 35 -4.357 -0.676 4.579 1.00 0.00 C ATOM 545 C LYS A 35 -5.381 0.170 5.304 1.00 0.00 C ATOM 546 O LYS A 35 -6.584 0.042 5.088 1.00 0.00 O ATOM 547 CB LYS A 35 -4.103 -1.966 5.342 1.00 0.00 C ATOM 548 CG LYS A 35 -3.415 -3.028 4.499 1.00 0.00 C ATOM 549 CD LYS A 35 -4.057 -4.394 4.687 1.00 0.00 C ATOM 550 CE LYS A 35 -3.607 -5.048 5.986 1.00 0.00 C ATOM 551 NZ LYS A 35 -2.643 -6.156 5.744 1.00 0.00 N ATOM 0 H LYS A 35 -2.406 -0.140 5.109 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.732 -0.943 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.489 -1.750 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.052 -2.358 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.461 -2.745 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.360 -3.081 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.142 -4.290 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.799 -5.037 3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.145 -4.299 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.476 -5.433 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.007 -6.248 6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.164 -7.046 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.084 -5.950 4.892 1.00 0.00 H new ATOM 565 N ASP A 36 -4.891 1.068 6.153 1.00 0.00 N ATOM 566 CA ASP A 36 -5.776 1.963 6.880 1.00 0.00 C ATOM 567 C ASP A 36 -6.659 2.714 5.889 1.00 0.00 C ATOM 568 O ASP A 36 -7.784 3.099 6.207 1.00 0.00 O ATOM 569 CB ASP A 36 -4.974 2.953 7.727 1.00 0.00 C ATOM 570 CG ASP A 36 -5.863 3.840 8.575 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.290 3.388 9.659 1.00 0.00 O ATOM 572 OD2 ASP A 36 -6.132 4.985 8.158 1.00 0.00 O ATOM 0 H ASP A 36 -3.898 1.193 6.351 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.400 1.373 7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.291 2.403 8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.363 3.575 7.073 1.00 0.00 H new ATOM 577 N ASP A 37 -6.137 2.904 4.673 1.00 0.00 N ATOM 578 CA ASP A 37 -6.879 3.592 3.623 1.00 0.00 C ATOM 579 C ASP A 37 -7.633 2.595 2.743 1.00 0.00 C ATOM 580 O ASP A 37 -8.825 2.759 2.484 1.00 0.00 O ATOM 581 CB ASP A 37 -5.933 4.438 2.770 1.00 0.00 C ATOM 582 CG ASP A 37 -6.013 5.913 3.110 1.00 0.00 C ATOM 583 OD1 ASP A 37 -5.897 6.255 4.306 1.00 0.00 O ATOM 584 OD2 ASP A 37 -6.195 6.727 2.180 1.00 0.00 O ATOM 0 H ASP A 37 -5.207 2.591 4.396 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.608 4.248 4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.910 4.090 2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.174 4.297 1.716 1.00 0.00 H new ATOM 589 N GLY A 38 -6.927 1.566 2.281 1.00 0.00 N ATOM 590 CA GLY A 38 -7.543 0.560 1.429 1.00 0.00 C ATOM 591 C GLY A 38 -7.206 -0.856 1.858 1.00 0.00 C ATOM 592 O GLY A 38 -6.732 -1.661 1.055 1.00 0.00 O ATOM 0 H GLY A 38 -5.939 1.410 2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.625 0.692 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.216 0.711 0.400 1.00 0.00 H new ATOM 596 N VAL A 39 -7.446 -1.154 3.129 1.00 0.00 N ATOM 597 CA VAL A 39 -7.167 -2.478 3.688 1.00 0.00 C ATOM 598 C VAL A 39 -7.774 -3.593 2.839 1.00 0.00 C ATOM 599 O VAL A 39 -7.151 -4.635 2.636 1.00 0.00 O ATOM 600 CB VAL A 39 -7.699 -2.607 5.136 1.00 0.00 C ATOM 601 CG1 VAL A 39 -9.008 -1.849 5.312 1.00 0.00 C ATOM 602 CG2 VAL A 39 -7.877 -4.069 5.513 1.00 0.00 C ATOM 0 H VAL A 39 -7.837 -0.493 3.800 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.082 -2.584 3.691 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.960 -2.163 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.357 -1.958 6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.849 -0.793 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.757 -2.252 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.252 -4.138 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.589 -4.536 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.918 -4.582 5.443 1.00 0.00 H new ATOM 612 N GLN A 40 -9.004 -3.372 2.386 1.00 0.00 N ATOM 613 CA GLN A 40 -9.755 -4.349 1.579 1.00 0.00 C ATOM 614 C GLN A 40 -8.851 -5.206 0.696 1.00 0.00 C ATOM 615 O GLN A 40 -9.169 -6.357 0.400 1.00 0.00 O ATOM 616 CB GLN A 40 -10.775 -3.633 0.690 1.00 0.00 C ATOM 617 CG GLN A 40 -11.379 -2.389 1.315 1.00 0.00 C ATOM 618 CD GLN A 40 -12.582 -1.880 0.556 1.00 0.00 C ATOM 619 OE1 GLN A 40 -13.100 -2.556 -0.332 1.00 0.00 O ATOM 620 NE2 GLN A 40 -13.035 -0.682 0.903 1.00 0.00 N ATOM 0 H GLN A 40 -9.517 -2.509 2.565 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.259 -5.008 2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.293 -3.357 -0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.577 -4.329 0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.669 -2.608 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.623 -1.605 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.573 -0.158 1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.845 -0.286 0.427 1.00 0.00 H new ATOM 629 N GLY A 41 -7.733 -4.637 0.274 1.00 0.00 N ATOM 630 CA GLY A 41 -6.811 -5.364 -0.579 1.00 0.00 C ATOM 631 C GLY A 41 -5.528 -5.756 0.128 1.00 0.00 C ATOM 632 O GLY A 41 -5.175 -5.186 1.160 1.00 0.00 O ATOM 0 H GLY A 41 -7.446 -3.686 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.302 -6.263 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.568 -4.751 -1.447 1.00 0.00 H new ATOM 636 N VAL A 42 -4.822 -6.718 -0.453 1.00 0.00 N ATOM 637 CA VAL A 42 -3.550 -7.183 0.093 1.00 0.00 C ATOM 638 C VAL A 42 -2.443 -6.880 -0.903 1.00 0.00 C ATOM 639 O VAL A 42 -2.630 -7.072 -2.105 1.00 0.00 O ATOM 640 CB VAL A 42 -3.574 -8.695 0.399 1.00 0.00 C ATOM 641 CG1 VAL A 42 -3.731 -9.500 -0.882 1.00 0.00 C ATOM 642 CG2 VAL A 42 -2.317 -9.109 1.147 1.00 0.00 C ATOM 0 H VAL A 42 -5.110 -7.195 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.371 -6.660 1.033 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.433 -8.902 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.746 -10.564 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.665 -9.225 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.895 -9.289 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.352 -10.179 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.441 -8.886 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.255 -8.560 2.086 1.00 0.00 H new ATOM 652 N TRP A 43 -1.311 -6.361 -0.437 1.00 0.00 N ATOM 653 CA TRP A 43 -0.251 -6.005 -1.370 1.00 0.00 C ATOM 654 C TRP A 43 0.819 -7.063 -1.574 1.00 0.00 C ATOM 655 O TRP A 43 1.064 -7.926 -0.731 1.00 0.00 O ATOM 656 CB TRP A 43 0.403 -4.672 -0.991 1.00 0.00 C ATOM 657 CG TRP A 43 1.338 -4.697 0.192 1.00 0.00 C ATOM 658 CD1 TRP A 43 2.075 -5.743 0.687 1.00 0.00 C ATOM 659 CD2 TRP A 43 1.650 -3.575 1.015 1.00 0.00 C ATOM 660 NE1 TRP A 43 2.817 -5.325 1.765 1.00 0.00 N ATOM 661 CE2 TRP A 43 2.570 -3.997 1.984 1.00 0.00 C ATOM 662 CE3 TRP A 43 1.231 -2.253 1.017 1.00 0.00 C ATOM 663 CZ2 TRP A 43 3.081 -3.132 2.945 1.00 0.00 C ATOM 664 CZ3 TRP A 43 1.735 -1.394 1.969 1.00 0.00 C ATOM 665 CH2 TRP A 43 2.649 -1.830 2.920 1.00 0.00 C ATOM 0 H TRP A 43 -1.108 -6.183 0.547 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.764 -5.914 -2.328 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.956 -4.304 -1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.387 -3.949 -0.787 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.072 -6.747 0.288 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.449 -5.909 2.313 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.520 -1.902 0.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.792 -3.472 3.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.414 -0.363 1.976 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.026 -1.132 3.653 1.00 0.00 H new ATOM 676 N THR A 44 1.474 -6.926 -2.721 1.00 0.00 N ATOM 677 CA THR A 44 2.579 -7.771 -3.128 1.00 0.00 C ATOM 678 C THR A 44 3.708 -6.857 -3.573 1.00 0.00 C ATOM 679 O THR A 44 3.708 -6.357 -4.698 1.00 0.00 O ATOM 680 CB THR A 44 2.164 -8.710 -4.256 1.00 0.00 C ATOM 681 OG1 THR A 44 1.009 -8.223 -4.921 1.00 0.00 O ATOM 682 CG2 THR A 44 1.861 -10.100 -3.760 1.00 0.00 C ATOM 0 H THR A 44 1.243 -6.207 -3.406 1.00 0.00 H new ATOM 0 HA THR A 44 2.901 -8.400 -2.298 1.00 0.00 H new ATOM 0 HB THR A 44 3.011 -8.751 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.762 -8.840 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.570 -10.731 -4.600 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.748 -10.517 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.045 -10.059 -3.038 1.00 0.00 H new ATOM 690 N TYR A 45 4.631 -6.584 -2.664 1.00 0.00 N ATOM 691 CA TYR A 45 5.724 -5.665 -2.954 1.00 0.00 C ATOM 692 C TYR A 45 6.956 -6.361 -3.513 1.00 0.00 C ATOM 693 O TYR A 45 7.270 -7.497 -3.158 1.00 0.00 O ATOM 694 CB TYR A 45 6.066 -4.852 -1.699 1.00 0.00 C ATOM 695 CG TYR A 45 7.535 -4.583 -1.466 1.00 0.00 C ATOM 696 CD1 TYR A 45 8.436 -5.610 -1.209 1.00 0.00 C ATOM 697 CD2 TYR A 45 8.015 -3.279 -1.496 1.00 0.00 C ATOM 698 CE1 TYR A 45 9.772 -5.347 -0.993 1.00 0.00 C ATOM 699 CE2 TYR A 45 9.351 -3.010 -1.280 1.00 0.00 C ATOM 700 CZ TYR A 45 10.226 -4.047 -1.031 1.00 0.00 C ATOM 701 OH TYR A 45 11.559 -3.781 -0.817 1.00 0.00 O ATOM 0 H TYR A 45 4.647 -6.982 -1.725 1.00 0.00 H new ATOM 0 HA TYR A 45 5.382 -4.991 -3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.546 -3.896 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.671 -5.378 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.084 -6.630 -1.178 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.333 -2.465 -1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.459 -6.156 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.710 -1.992 -1.306 1.00 0.00 H new ATOM 0 HH TYR A 45 11.673 -2.831 -0.607 1.00 0.00 H new ATOM 711 N ASP A 46 7.657 -5.638 -4.381 1.00 0.00 N ATOM 712 CA ASP A 46 8.874 -6.126 -5.001 1.00 0.00 C ATOM 713 C ASP A 46 10.083 -5.450 -4.371 1.00 0.00 C ATOM 714 O ASP A 46 9.961 -4.394 -3.746 1.00 0.00 O ATOM 715 CB ASP A 46 8.845 -5.841 -6.502 1.00 0.00 C ATOM 716 CG ASP A 46 9.184 -7.062 -7.328 1.00 0.00 C ATOM 717 OD1 ASP A 46 8.279 -7.891 -7.551 1.00 0.00 O ATOM 718 OD2 ASP A 46 10.352 -7.187 -7.750 1.00 0.00 O ATOM 0 H ASP A 46 7.393 -4.697 -4.672 1.00 0.00 H new ATOM 0 HA ASP A 46 8.945 -7.202 -4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.855 -5.480 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.551 -5.043 -6.731 1.00 0.00 H new ATOM 723 N ASP A 47 11.249 -6.048 -4.560 1.00 0.00 N ATOM 724 CA ASP A 47 12.486 -5.499 -4.035 1.00 0.00 C ATOM 725 C ASP A 47 13.154 -4.681 -5.119 1.00 0.00 C ATOM 726 O ASP A 47 13.765 -3.642 -4.866 1.00 0.00 O ATOM 727 CB ASP A 47 13.401 -6.627 -3.582 1.00 0.00 C ATOM 728 CG ASP A 47 13.781 -6.532 -2.123 1.00 0.00 C ATOM 729 OD1 ASP A 47 14.517 -5.589 -1.763 1.00 0.00 O ATOM 730 OD2 ASP A 47 13.340 -7.395 -1.335 1.00 0.00 O ATOM 0 H ASP A 47 11.363 -6.920 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 47 12.276 -4.862 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.907 -7.582 -3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.307 -6.618 -4.189 1.00 0.00 H new ATOM 735 N ALA A 48 12.999 -5.165 -6.332 1.00 0.00 N ATOM 736 CA ALA A 48 13.545 -4.521 -7.512 1.00 0.00 C ATOM 737 C ALA A 48 12.977 -3.120 -7.657 1.00 0.00 C ATOM 738 O ALA A 48 13.663 -2.188 -8.079 1.00 0.00 O ATOM 739 CB ALA A 48 13.194 -5.349 -8.723 1.00 0.00 C ATOM 0 H ALA A 48 12.486 -6.024 -6.531 1.00 0.00 H new ATOM 0 HA ALA A 48 14.628 -4.444 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.599 -4.875 -9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.619 -6.347 -8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.110 -5.424 -8.811 1.00 0.00 H new ATOM 745 N THR A 49 11.704 -2.991 -7.312 1.00 0.00 N ATOM 746 CA THR A 49 11.004 -1.715 -7.403 1.00 0.00 C ATOM 747 C THR A 49 10.927 -1.030 -6.042 1.00 0.00 C ATOM 748 O THR A 49 11.019 0.193 -5.950 1.00 0.00 O ATOM 749 CB THR A 49 9.594 -1.927 -7.956 1.00 0.00 C ATOM 750 OG1 THR A 49 8.726 -2.405 -6.944 1.00 0.00 O ATOM 751 CG2 THR A 49 9.539 -2.903 -9.103 1.00 0.00 C ATOM 0 H THR A 49 11.130 -3.759 -6.964 1.00 0.00 H new ATOM 0 HA THR A 49 11.566 -1.071 -8.079 1.00 0.00 H new ATOM 0 HB THR A 49 9.279 -0.949 -8.320 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.213 -1.657 -6.573 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.509 -3.005 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.159 -2.538 -9.922 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.909 -3.874 -8.773 1.00 0.00 H new ATOM 759 N LYS A 50 10.743 -1.830 -4.992 1.00 0.00 N ATOM 760 CA LYS A 50 10.638 -1.311 -3.630 1.00 0.00 C ATOM 761 C LYS A 50 9.255 -0.721 -3.401 1.00 0.00 C ATOM 762 O LYS A 50 9.090 0.295 -2.718 1.00 0.00 O ATOM 763 CB LYS A 50 11.699 -0.248 -3.367 1.00 0.00 C ATOM 764 CG LYS A 50 13.079 -0.627 -3.880 1.00 0.00 C ATOM 765 CD LYS A 50 13.952 -1.188 -2.769 1.00 0.00 C ATOM 766 CE LYS A 50 14.423 -0.095 -1.823 1.00 0.00 C ATOM 767 NZ LYS A 50 15.809 0.353 -2.138 1.00 0.00 N ATOM 0 H LYS A 50 10.663 -2.845 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 50 10.799 -2.139 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.390 0.686 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.757 -0.062 -2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.982 -1.365 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.560 0.249 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.393 -1.938 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.816 -1.692 -3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.744 0.755 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.384 -0.461 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.093 1.099 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.461 -0.453 -2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.841 0.726 -3.108 1.00 0.00 H new ATOM 781 N THR A 51 8.266 -1.362 -3.998 1.00 0.00 N ATOM 782 CA THR A 51 6.892 -0.911 -3.892 1.00 0.00 C ATOM 783 C THR A 51 5.943 -2.078 -3.678 1.00 0.00 C ATOM 784 O THR A 51 6.219 -3.195 -4.110 1.00 0.00 O ATOM 785 CB THR A 51 6.502 -0.138 -5.149 1.00 0.00 C ATOM 786 OG1 THR A 51 7.443 -0.356 -6.188 1.00 0.00 O ATOM 787 CG2 THR A 51 6.411 1.350 -4.919 1.00 0.00 C ATOM 0 H THR A 51 8.391 -2.201 -4.564 1.00 0.00 H new ATOM 0 HA THR A 51 6.815 -0.254 -3.025 1.00 0.00 H new ATOM 0 HB THR A 51 5.517 -0.512 -5.428 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.173 0.147 -6.985 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.130 1.845 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.659 1.555 -4.157 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.378 1.726 -4.585 1.00 0.00 H new ATOM 795 N PHE A 52 4.818 -1.806 -3.029 1.00 0.00 N ATOM 796 CA PHE A 52 3.815 -2.825 -2.774 1.00 0.00 C ATOM 797 C PHE A 52 2.508 -2.448 -3.452 1.00 0.00 C ATOM 798 O PHE A 52 2.210 -1.269 -3.628 1.00 0.00 O ATOM 799 CB PHE A 52 3.592 -3.042 -1.266 1.00 0.00 C ATOM 800 CG PHE A 52 4.582 -2.350 -0.359 1.00 0.00 C ATOM 801 CD1 PHE A 52 4.717 -0.972 -0.369 1.00 0.00 C ATOM 802 CD2 PHE A 52 5.382 -3.088 0.504 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.629 -0.348 0.457 1.00 0.00 C ATOM 804 CE2 PHE A 52 6.291 -2.470 1.329 1.00 0.00 C ATOM 805 CZ PHE A 52 6.417 -1.099 1.307 1.00 0.00 C ATOM 0 H PHE A 52 4.579 -0.882 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 52 4.180 -3.764 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.589 -2.698 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.624 -4.112 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.102 -0.380 -1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.288 -4.164 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.727 0.727 0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.906 -3.059 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.131 -0.611 1.954 1.00 0.00 H new ATOM 815 N THR A 53 1.735 -3.448 -3.848 1.00 0.00 N ATOM 816 CA THR A 53 0.468 -3.202 -4.511 1.00 0.00 C ATOM 817 C THR A 53 -0.667 -3.877 -3.748 1.00 0.00 C ATOM 818 O THR A 53 -0.857 -5.086 -3.864 1.00 0.00 O ATOM 819 CB THR A 53 0.531 -3.719 -5.953 1.00 0.00 C ATOM 820 OG1 THR A 53 1.216 -2.804 -6.787 1.00 0.00 O ATOM 821 CG2 THR A 53 -0.827 -3.974 -6.569 1.00 0.00 C ATOM 0 H THR A 53 1.964 -4.434 -3.721 1.00 0.00 H new ATOM 0 HA THR A 53 0.276 -2.129 -4.530 1.00 0.00 H new ATOM 0 HB THR A 53 1.061 -4.669 -5.888 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.246 -3.154 -7.702 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.701 -4.338 -7.589 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.359 -4.721 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.400 -3.047 -6.582 1.00 0.00 H new ATOM 829 N VAL A 54 -1.422 -3.100 -2.970 1.00 0.00 N ATOM 830 CA VAL A 54 -2.527 -3.657 -2.192 1.00 0.00 C ATOM 831 C VAL A 54 -3.706 -3.974 -3.100 1.00 0.00 C ATOM 832 O VAL A 54 -4.518 -3.114 -3.426 1.00 0.00 O ATOM 833 CB VAL A 54 -2.957 -2.707 -1.040 1.00 0.00 C ATOM 834 CG1 VAL A 54 -4.466 -2.708 -0.819 1.00 0.00 C ATOM 835 CG2 VAL A 54 -2.249 -3.092 0.244 1.00 0.00 C ATOM 0 H VAL A 54 -1.290 -2.094 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.178 -4.583 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.670 -1.697 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.715 -2.029 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.967 -2.381 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.796 -3.715 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.557 -2.420 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.509 -4.117 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.171 -3.016 0.102 1.00 0.00 H new ATOM 845 N GLN A 55 -3.772 -5.224 -3.520 1.00 0.00 N ATOM 846 CA GLN A 55 -4.818 -5.676 -4.405 1.00 0.00 C ATOM 847 C GLN A 55 -5.865 -6.492 -3.653 1.00 0.00 C ATOM 848 O GLN A 55 -5.536 -7.410 -2.901 1.00 0.00 O ATOM 849 CB GLN A 55 -4.187 -6.496 -5.531 1.00 0.00 C ATOM 850 CG GLN A 55 -5.087 -7.582 -6.098 1.00 0.00 C ATOM 851 CD GLN A 55 -4.596 -8.109 -7.432 1.00 0.00 C ATOM 852 OE1 GLN A 55 -3.487 -8.634 -7.535 1.00 0.00 O ATOM 853 NE2 GLN A 55 -5.423 -7.974 -8.462 1.00 0.00 N ATOM 0 H GLN A 55 -3.103 -5.948 -3.256 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.332 -4.812 -4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.899 -5.822 -6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.272 -6.957 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.149 -8.406 -5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.096 -7.187 -6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.333 -7.532 -8.331 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.148 -8.312 -9.384 1.00 0.00 H new ATOM 862 N ALA A 56 -7.126 -6.144 -3.867 1.00 0.00 N ATOM 863 CA ALA A 56 -8.234 -6.836 -3.219 1.00 0.00 C ATOM 864 C ALA A 56 -8.973 -7.732 -4.207 1.00 0.00 C ATOM 865 O ALA A 56 -8.410 -8.013 -5.285 1.00 0.00 O ATOM 866 CB ALA A 56 -9.192 -5.831 -2.597 1.00 0.00 C ATOM 867 OXT ALA A 56 -10.109 -8.145 -3.893 1.00 0.00 O ATOM 0 H ALA A 56 -7.409 -5.384 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.825 -7.468 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.014 -6.361 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.662 -5.235 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.587 -5.176 -3.374 1.00 0.00 H new TER 873 ALA A 56