USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 218 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 12 HIS : no HD1:sc= 0.734 K(o=1.4,f=-2.5) USER MOD Set 1.2: A 13 SER OG : rot 21:sc= 0.645 USER MOD Single : A 1 LYS N :NH3+ 163:sc= 0.349 (180deg=0.231) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.0671 K(o=0.067,f=-3.1) USER MOD Single : A 8 HIS : no HE2:sc= -0.169 K(o=-0.17,f=-2.8) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= 0.924 K(o=0.92,f=-3.3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 1.89 (180deg=1.86) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.525 9.284 -0.888 1.00 0.00 N ATOM 2 CA LYS A 1 -14.529 9.726 -2.307 1.00 0.00 C ATOM 3 C LYS A 1 -14.238 8.563 -3.245 1.00 0.00 C ATOM 4 O LYS A 1 -13.174 7.950 -3.176 1.00 0.00 O ATOM 5 CB LYS A 1 -13.536 10.873 -2.587 1.00 0.00 C ATOM 6 CG LYS A 1 -13.944 12.184 -1.901 1.00 0.00 C ATOM 7 CD LYS A 1 -13.060 13.370 -2.346 1.00 0.00 C ATOM 8 CE LYS A 1 -13.490 14.701 -1.694 1.00 0.00 C ATOM 9 NZ LYS A 1 -14.754 15.243 -2.286 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.437 10.113 -0.266 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.413 8.786 -0.677 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.722 8.643 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.533 10.107 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.543 10.581 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.467 11.036 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.987 12.403 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.873 12.065 -0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.021 13.162 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -13.107 13.468 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -13.629 14.550 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.693 15.435 -1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -15.002 16.137 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.616 15.413 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -15.523 14.556 -2.151 1.00 0.00 H new ATOM 17 N TYR A 2 -15.171 8.239 -4.138 1.00 0.00 N ATOM 18 CA TYR A 2 -14.907 7.527 -5.374 1.00 0.00 C ATOM 19 C TYR A 2 -14.153 8.448 -6.353 1.00 0.00 C ATOM 20 O TYR A 2 -14.397 9.664 -6.378 1.00 0.00 O ATOM 21 CB TYR A 2 -16.266 7.051 -5.905 1.00 0.00 C ATOM 22 CG TYR A 2 -16.206 6.188 -7.155 1.00 0.00 C ATOM 23 CD1 TYR A 2 -15.915 6.762 -8.401 1.00 0.00 C ATOM 24 CD2 TYR A 2 -16.493 4.821 -7.052 1.00 0.00 C ATOM 25 CE1 TYR A 2 -15.848 5.954 -9.542 1.00 0.00 C ATOM 26 CE2 TYR A 2 -16.420 4.004 -8.192 1.00 0.00 C ATOM 27 CZ TYR A 2 -16.085 4.565 -9.451 1.00 0.00 C ATOM 28 OH TYR A 2 -16.029 3.796 -10.566 1.00 0.00 O ATOM 0 H TYR A 2 -16.156 8.473 -4.013 1.00 0.00 H new ATOM 0 HA TYR A 2 -14.263 6.660 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -16.769 6.488 -5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -16.882 7.925 -6.115 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -15.743 7.825 -8.480 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -16.770 4.396 -6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -15.613 6.396 -10.499 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -16.619 2.946 -8.110 1.00 0.00 H new ATOM 0 HH TYR A 2 -16.215 2.863 -10.330 1.00 0.00 H new ATOM 36 N TYR A 3 -13.243 7.881 -7.155 1.00 0.00 N ATOM 37 CA TYR A 3 -12.346 8.625 -8.041 1.00 0.00 C ATOM 38 C TYR A 3 -12.318 8.075 -9.481 1.00 0.00 C ATOM 39 O TYR A 3 -12.553 6.884 -9.694 1.00 0.00 O ATOM 40 CB TYR A 3 -10.940 8.602 -7.431 1.00 0.00 C ATOM 41 CG TYR A 3 -10.741 9.535 -6.248 1.00 0.00 C ATOM 42 CD1 TYR A 3 -10.678 10.920 -6.502 1.00 0.00 C ATOM 43 CD2 TYR A 3 -10.551 9.051 -4.928 1.00 0.00 C ATOM 44 CE1 TYR A 3 -10.403 11.820 -5.462 1.00 0.00 C ATOM 45 CE2 TYR A 3 -10.235 9.955 -3.903 1.00 0.00 C ATOM 46 CZ TYR A 3 -10.164 11.334 -4.169 1.00 0.00 C ATOM 47 OH TYR A 3 -9.808 12.204 -3.190 1.00 0.00 O ATOM 0 H TYR A 3 -13.109 6.871 -7.205 1.00 0.00 H new ATOM 0 HA TYR A 3 -12.720 9.646 -8.121 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -10.714 7.584 -7.114 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -10.219 8.862 -8.206 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -10.842 11.290 -7.503 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -10.649 7.997 -4.714 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.376 12.882 -5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.045 9.590 -2.904 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.678 11.716 -2.350 1.00 0.00 H new ATOM 55 N GLY A 4 -12.047 8.932 -10.472 1.00 0.00 N ATOM 56 CA GLY A 4 -12.199 8.625 -11.904 1.00 0.00 C ATOM 57 C GLY A 4 -11.273 7.556 -12.483 1.00 0.00 C ATOM 58 O GLY A 4 -11.574 6.980 -13.525 1.00 0.00 O ATOM 0 H GLY A 4 -11.709 9.879 -10.300 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.229 8.312 -12.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.048 9.546 -12.467 1.00 0.00 H new ATOM 62 N ASN A 5 -10.175 7.247 -11.788 1.00 0.00 N ATOM 63 CA ASN A 5 -9.290 6.102 -12.056 1.00 0.00 C ATOM 64 C ASN A 5 -9.882 4.744 -11.609 1.00 0.00 C ATOM 65 O ASN A 5 -9.326 3.692 -11.923 1.00 0.00 O ATOM 66 CB ASN A 5 -7.892 6.381 -11.456 1.00 0.00 C ATOM 67 CG ASN A 5 -7.862 6.408 -9.921 1.00 0.00 C ATOM 68 OD1 ASN A 5 -8.866 6.462 -9.227 1.00 0.00 O ATOM 69 ND2 ASN A 5 -6.683 6.374 -9.358 1.00 0.00 N ATOM 0 H ASN A 5 -9.863 7.806 -10.993 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.189 6.000 -13.137 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.198 5.618 -11.809 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.531 7.338 -11.833 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.603 6.393 -8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.843 6.329 -9.935 1.00 0.00 H new ATOM 74 N GLY A 6 -11.011 4.752 -10.875 1.00 0.00 N ATOM 75 CA GLY A 6 -11.751 3.579 -10.395 1.00 0.00 C ATOM 76 C GLY A 6 -11.614 3.291 -8.904 1.00 0.00 C ATOM 77 O GLY A 6 -12.226 2.356 -8.406 1.00 0.00 O ATOM 0 H GLY A 6 -11.451 5.626 -10.588 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -12.807 3.716 -10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.413 2.704 -10.950 1.00 0.00 H new ATOM 81 N VAL A 7 -10.801 4.052 -8.166 1.00 0.00 N ATOM 82 CA VAL A 7 -10.605 3.923 -6.714 1.00 0.00 C ATOM 83 C VAL A 7 -11.863 4.324 -5.928 1.00 0.00 C ATOM 84 O VAL A 7 -12.648 5.165 -6.348 1.00 0.00 O ATOM 85 CB VAL A 7 -9.386 4.801 -6.329 1.00 0.00 C ATOM 86 CG1 VAL A 7 -9.228 5.035 -4.827 1.00 0.00 C ATOM 87 CG2 VAL A 7 -8.079 4.169 -6.830 1.00 0.00 C ATOM 0 H VAL A 7 -10.241 4.801 -8.574 1.00 0.00 H new ATOM 0 HA VAL A 7 -10.416 2.881 -6.455 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.582 5.762 -6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.352 5.658 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.116 5.536 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.103 4.078 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.237 4.802 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.957 3.183 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.114 4.073 -7.915 1.00 0.00 H new ATOM 97 N HIS A 8 -12.023 3.753 -4.727 1.00 0.00 N ATOM 98 CA HIS A 8 -12.983 4.123 -3.678 1.00 0.00 C ATOM 99 C HIS A 8 -12.213 4.401 -2.376 1.00 0.00 C ATOM 100 O HIS A 8 -11.841 3.489 -1.641 1.00 0.00 O ATOM 101 CB HIS A 8 -14.078 3.026 -3.512 1.00 0.00 C ATOM 102 CG HIS A 8 -14.361 2.150 -4.708 1.00 0.00 C ATOM 103 ND1 HIS A 8 -14.467 2.564 -6.014 1.00 0.00 N ATOM 104 CD2 HIS A 8 -14.426 0.787 -4.683 1.00 0.00 C ATOM 105 CE1 HIS A 8 -14.562 1.460 -6.796 1.00 0.00 C ATOM 106 NE2 HIS A 8 -14.563 0.368 -6.002 1.00 0.00 N ATOM 0 H HIS A 8 -11.443 2.964 -4.442 1.00 0.00 H new ATOM 0 HA HIS A 8 -13.513 5.033 -3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.788 2.382 -2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -15.008 3.517 -3.225 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -14.473 3.531 -6.338 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.380 0.156 -3.808 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -14.626 1.455 -7.874 1.00 0.00 H new ATOM 113 N CYS A 9 -11.935 5.673 -2.085 1.00 0.00 N ATOM 114 CA CYS A 9 -11.321 6.100 -0.824 1.00 0.00 C ATOM 115 C CYS A 9 -12.369 6.230 0.307 1.00 0.00 C ATOM 116 O CYS A 9 -12.851 7.324 0.597 1.00 0.00 O ATOM 117 CB CYS A 9 -10.512 7.384 -1.041 1.00 0.00 C ATOM 118 SG CYS A 9 -8.986 7.224 -2.006 1.00 0.00 S ATOM 0 H CYS A 9 -12.131 6.444 -2.723 1.00 0.00 H new ATOM 0 HA CYS A 9 -10.626 5.329 -0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -11.154 8.112 -1.536 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -10.257 7.796 -0.065 1.00 0.00 H new ATOM 121 N GLY A 10 -12.695 5.090 0.934 1.00 0.00 N ATOM 122 CA GLY A 10 -13.486 5.001 2.177 1.00 0.00 C ATOM 123 C GLY A 10 -12.688 5.475 3.389 1.00 0.00 C ATOM 124 O GLY A 10 -12.191 4.656 4.169 1.00 0.00 O ATOM 0 H GLY A 10 -12.409 4.176 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.389 5.603 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.806 3.971 2.332 1.00 0.00 H new ATOM 128 N LYS A 11 -12.507 6.793 3.518 1.00 0.00 N ATOM 129 CA LYS A 11 -11.673 7.525 4.500 1.00 0.00 C ATOM 130 C LYS A 11 -10.154 7.297 4.358 1.00 0.00 C ATOM 131 O LYS A 11 -9.401 8.260 4.236 1.00 0.00 O ATOM 132 CB LYS A 11 -12.157 7.295 5.937 1.00 0.00 C ATOM 133 CG LYS A 11 -13.636 7.688 6.175 1.00 0.00 C ATOM 134 CD LYS A 11 -14.013 7.537 7.657 1.00 0.00 C ATOM 135 CE LYS A 11 -15.510 7.768 7.906 1.00 0.00 C ATOM 136 NZ LYS A 11 -15.934 9.179 7.649 1.00 0.00 N ATOM 0 H LYS A 11 -12.978 7.440 2.886 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.814 8.578 4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.026 6.243 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.526 7.867 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.798 8.718 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.286 7.061 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.740 6.538 7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.435 8.246 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.086 7.099 7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.746 7.506 8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.953 9.274 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.407 9.820 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.737 9.426 6.658 1.00 0.00 H new ATOM 142 N HIS A 12 -9.725 6.025 4.360 1.00 0.00 N ATOM 143 CA HIS A 12 -8.319 5.553 4.405 1.00 0.00 C ATOM 144 C HIS A 12 -7.957 4.442 3.395 1.00 0.00 C ATOM 145 O HIS A 12 -6.767 4.216 3.142 1.00 0.00 O ATOM 146 CB HIS A 12 -8.022 5.073 5.844 1.00 0.00 C ATOM 147 CG HIS A 12 -9.100 4.206 6.477 1.00 0.00 C ATOM 148 ND1 HIS A 12 -9.664 3.028 5.987 1.00 0.00 N ATOM 149 CD2 HIS A 12 -9.704 4.489 7.672 1.00 0.00 C ATOM 150 CE1 HIS A 12 -10.606 2.637 6.876 1.00 0.00 C ATOM 151 NE2 HIS A 12 -10.645 3.503 7.907 1.00 0.00 N ATOM 0 H HIS A 12 -10.384 5.247 4.329 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.699 6.400 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.087 4.513 5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.865 5.947 6.476 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.486 5.329 8.314 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.232 1.763 6.774 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.260 3.442 8.718 1.00 0.00 H new ATOM 158 N SER A 13 -8.940 3.723 2.829 1.00 0.00 N ATOM 159 CA SER A 13 -8.651 2.432 2.177 1.00 0.00 C ATOM 160 C SER A 13 -8.207 2.543 0.704 1.00 0.00 C ATOM 161 O SER A 13 -7.348 1.778 0.269 1.00 0.00 O ATOM 162 CB SER A 13 -9.871 1.521 2.286 1.00 0.00 C ATOM 163 OG SER A 13 -10.200 1.342 3.657 1.00 0.00 O ATOM 0 H SER A 13 -9.920 4.004 2.808 1.00 0.00 H new ATOM 0 HA SER A 13 -7.799 2.010 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.715 1.958 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.663 0.557 1.821 1.00 0.00 H new ATOM 0 HG SER A 13 -9.811 2.071 4.185 1.00 0.00 H new ATOM 167 N CYS A 14 -8.746 3.513 -0.048 1.00 0.00 N ATOM 168 CA CYS A 14 -8.457 3.800 -1.468 1.00 0.00 C ATOM 169 C CYS A 14 -8.346 2.539 -2.358 1.00 0.00 C ATOM 170 O CYS A 14 -7.370 2.321 -3.081 1.00 0.00 O ATOM 171 CB CYS A 14 -7.254 4.740 -1.532 1.00 0.00 C ATOM 172 SG CYS A 14 -7.566 6.374 -0.792 1.00 0.00 S ATOM 0 H CYS A 14 -9.436 4.158 0.337 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.313 4.308 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.412 4.274 -1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.962 4.872 -2.574 1.00 0.00 H new ATOM 175 N THR A 15 -9.392 1.706 -2.327 1.00 0.00 N ATOM 176 CA THR A 15 -9.477 0.395 -3.001 1.00 0.00 C ATOM 177 C THR A 15 -10.207 0.527 -4.334 1.00 0.00 C ATOM 178 O THR A 15 -11.349 0.989 -4.357 1.00 0.00 O ATOM 179 CB THR A 15 -10.210 -0.600 -2.067 1.00 0.00 C ATOM 180 OG1 THR A 15 -9.424 -0.815 -0.923 1.00 0.00 O ATOM 181 CG2 THR A 15 -10.440 -1.970 -2.698 1.00 0.00 C ATOM 0 H THR A 15 -10.242 1.932 -1.810 1.00 0.00 H new ATOM 0 HA THR A 15 -8.474 0.022 -3.209 1.00 0.00 H new ATOM 0 HB THR A 15 -11.178 -0.151 -1.845 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.881 -1.443 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.958 -2.615 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.046 -1.859 -3.597 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.480 -2.416 -2.960 1.00 0.00 H new ATOM 189 N VAL A 16 -9.606 0.086 -5.448 1.00 0.00 N ATOM 190 CA VAL A 16 -10.325 -0.235 -6.704 1.00 0.00 C ATOM 191 C VAL A 16 -11.160 -1.509 -6.505 1.00 0.00 C ATOM 192 O VAL A 16 -12.372 -1.550 -6.698 1.00 0.00 O ATOM 193 CB VAL A 16 -9.324 -0.481 -7.857 1.00 0.00 C ATOM 194 CG1 VAL A 16 -10.009 -0.725 -9.203 1.00 0.00 C ATOM 195 CG2 VAL A 16 -8.338 0.664 -8.064 1.00 0.00 C ATOM 0 H VAL A 16 -8.599 -0.062 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.968 0.608 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.790 -1.375 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.253 -0.891 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.652 -1.603 -9.130 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.611 0.144 -9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.667 0.422 -8.888 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.885 1.577 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.756 0.812 -7.154 1.00 0.00 H new ATOM 205 N ASP A 17 -10.427 -2.554 -6.128 1.00 0.00 N ATOM 206 CA ASP A 17 -10.775 -3.933 -5.810 1.00 0.00 C ATOM 207 C ASP A 17 -9.490 -4.640 -5.352 1.00 0.00 C ATOM 208 O ASP A 17 -9.450 -5.345 -4.344 1.00 0.00 O ATOM 209 CB ASP A 17 -11.355 -4.628 -7.057 1.00 0.00 C ATOM 210 CG ASP A 17 -11.579 -6.135 -6.809 1.00 0.00 C ATOM 211 OD1 ASP A 17 -12.557 -6.480 -6.115 1.00 0.00 O ATOM 212 OD2 ASP A 17 -10.808 -6.971 -7.331 1.00 0.00 O ATOM 0 H ASP A 17 -9.420 -2.428 -6.024 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.529 -3.971 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.300 -4.158 -7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.676 -4.493 -7.899 1.00 0.00 H new ATOM 215 N TRP A 18 -8.384 -4.374 -6.064 1.00 0.00 N ATOM 216 CA TRP A 18 -7.007 -4.867 -5.826 1.00 0.00 C ATOM 217 C TRP A 18 -6.194 -4.132 -4.714 1.00 0.00 C ATOM 218 O TRP A 18 -4.954 -4.099 -4.708 1.00 0.00 O ATOM 219 CB TRP A 18 -6.275 -4.982 -7.177 1.00 0.00 C ATOM 220 CG TRP A 18 -5.685 -3.782 -7.853 1.00 0.00 C ATOM 221 CD1 TRP A 18 -4.931 -3.832 -8.978 1.00 0.00 C ATOM 222 CD2 TRP A 18 -5.668 -2.388 -7.442 1.00 0.00 C ATOM 223 NE1 TRP A 18 -4.355 -2.595 -9.225 1.00 0.00 N ATOM 224 CE2 TRP A 18 -4.731 -1.684 -8.261 1.00 0.00 C ATOM 225 CE3 TRP A 18 -6.308 -1.656 -6.441 1.00 0.00 C ATOM 226 CZ2 TRP A 18 -4.365 -0.353 -8.003 1.00 0.00 C ATOM 227 CZ3 TRP A 18 -5.930 -0.349 -6.153 1.00 0.00 C ATOM 228 CH2 TRP A 18 -4.957 0.295 -6.905 1.00 0.00 C ATOM 0 H TRP A 18 -8.425 -3.765 -6.881 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.098 -5.859 -5.383 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.465 -5.698 -7.038 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.977 -5.429 -7.881 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.798 -4.709 -9.594 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.739 -2.388 -10.011 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -7.111 -2.112 -5.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.649 0.158 -8.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.400 0.172 -5.332 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.653 1.298 -6.645 1.00 0.00 H new ATOM 237 N GLY A 19 -6.883 -3.471 -3.775 1.00 0.00 N ATOM 238 CA GLY A 19 -6.247 -2.660 -2.722 1.00 0.00 C ATOM 239 C GLY A 19 -5.332 -3.460 -1.778 1.00 0.00 C ATOM 240 O GLY A 19 -4.431 -2.887 -1.163 1.00 0.00 O ATOM 0 H GLY A 19 -7.902 -3.482 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.663 -1.868 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.025 -2.176 -2.132 1.00 0.00 H new ATOM 244 N THR A 20 -5.520 -4.782 -1.710 1.00 0.00 N ATOM 245 CA THR A 20 -4.574 -5.737 -1.114 1.00 0.00 C ATOM 246 C THR A 20 -3.246 -5.830 -1.880 1.00 0.00 C ATOM 247 O THR A 20 -2.189 -5.929 -1.262 1.00 0.00 O ATOM 248 CB THR A 20 -5.212 -7.141 -1.012 1.00 0.00 C ATOM 249 OG1 THR A 20 -6.446 -7.044 -0.331 1.00 0.00 O ATOM 250 CG2 THR A 20 -4.350 -8.151 -0.271 1.00 0.00 C ATOM 0 H THR A 20 -6.358 -5.232 -2.078 1.00 0.00 H new ATOM 0 HA THR A 20 -4.346 -5.357 -0.118 1.00 0.00 H new ATOM 0 HB THR A 20 -5.332 -7.496 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.854 -7.932 -0.266 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.862 -9.113 -0.239 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.397 -8.264 -0.788 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.172 -7.801 0.746 1.00 0.00 H new ATOM 258 N ALA A 21 -3.275 -5.769 -3.215 1.00 0.00 N ATOM 259 CA ALA A 21 -2.089 -5.758 -4.072 1.00 0.00 C ATOM 260 C ALA A 21 -1.246 -4.504 -3.825 1.00 0.00 C ATOM 261 O ALA A 21 -0.106 -4.631 -3.383 1.00 0.00 O ATOM 262 CB ALA A 21 -2.473 -5.866 -5.562 1.00 0.00 C ATOM 0 H ALA A 21 -4.147 -5.725 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.490 -6.631 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.570 -5.855 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.014 -6.797 -5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.107 -5.023 -5.837 1.00 0.00 H new ATOM 268 N ILE A 22 -1.806 -3.301 -4.040 1.00 0.00 N ATOM 269 CA ILE A 22 -1.067 -2.044 -3.763 1.00 0.00 C ATOM 270 C ILE A 22 -0.685 -1.894 -2.280 1.00 0.00 C ATOM 271 O ILE A 22 0.413 -1.437 -1.984 1.00 0.00 O ATOM 272 CB ILE A 22 -1.819 -0.791 -4.251 1.00 0.00 C ATOM 273 CG1 ILE A 22 -3.276 -0.757 -3.737 1.00 0.00 C ATOM 274 CG2 ILE A 22 -1.764 -0.696 -5.788 1.00 0.00 C ATOM 275 CD1 ILE A 22 -3.878 0.635 -3.640 1.00 0.00 C ATOM 0 H ILE A 22 -2.751 -3.166 -4.398 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.145 -2.124 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.317 0.082 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.896 -1.362 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.312 -1.224 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.300 0.194 -6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.725 -0.635 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.228 -1.581 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.901 0.564 -3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.286 1.240 -2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.879 1.100 -4.626 1.00 0.00 H new ATOM 285 N GLY A 23 -1.536 -2.379 -1.365 1.00 0.00 N ATOM 286 CA GLY A 23 -1.283 -2.438 0.085 1.00 0.00 C ATOM 287 C GLY A 23 -0.023 -3.248 0.425 1.00 0.00 C ATOM 288 O GLY A 23 0.868 -2.754 1.120 1.00 0.00 O ATOM 0 H GLY A 23 -2.450 -2.754 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.177 -1.425 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.144 -2.883 0.584 1.00 0.00 H new ATOM 292 N ASN A 24 0.089 -4.473 -0.086 1.00 0.00 N ATOM 293 CA ASN A 24 1.266 -5.334 0.080 1.00 0.00 C ATOM 294 C ASN A 24 2.558 -4.709 -0.477 1.00 0.00 C ATOM 295 O ASN A 24 3.573 -4.663 0.226 1.00 0.00 O ATOM 296 CB ASN A 24 0.960 -6.697 -0.564 1.00 0.00 C ATOM 297 CG ASN A 24 2.126 -7.645 -0.382 1.00 0.00 C ATOM 298 OD1 ASN A 24 2.401 -8.119 0.722 1.00 0.00 O ATOM 299 ND2 ASN A 24 2.858 -7.969 -1.428 1.00 0.00 N ATOM 0 H ASN A 24 -0.650 -4.907 -0.639 1.00 0.00 H new ATOM 0 HA ASN A 24 1.459 -5.461 1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.063 -7.124 -0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.753 -6.565 -1.626 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.646 -8.608 -1.321 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.637 -7.581 -2.345 1.00 0.00 H new ATOM 304 N ILE A 25 2.512 -4.230 -1.733 1.00 0.00 N ATOM 305 CA ILE A 25 3.656 -3.563 -2.414 1.00 0.00 C ATOM 306 C ILE A 25 4.129 -2.327 -1.623 1.00 0.00 C ATOM 307 O ILE A 25 5.326 -2.172 -1.369 1.00 0.00 O ATOM 308 CB ILE A 25 3.288 -3.199 -3.869 1.00 0.00 C ATOM 309 CG1 ILE A 25 3.033 -4.460 -4.720 1.00 0.00 C ATOM 310 CG2 ILE A 25 4.412 -2.384 -4.539 1.00 0.00 C ATOM 311 CD1 ILE A 25 2.293 -4.191 -6.035 1.00 0.00 C ATOM 0 H ILE A 25 1.677 -4.291 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 25 4.489 -4.265 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 25 2.377 -2.603 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.989 -4.933 -4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.456 -5.172 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.125 -2.142 -5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.576 -1.462 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.331 -2.971 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.154 -5.129 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.320 -3.748 -5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.878 -3.505 -6.648 1.00 0.00 H new ATOM 321 N GLY A 26 3.188 -1.488 -1.174 1.00 0.00 N ATOM 322 CA GLY A 26 3.419 -0.319 -0.307 1.00 0.00 C ATOM 323 C GLY A 26 4.118 -0.683 1.012 1.00 0.00 C ATOM 324 O GLY A 26 5.087 -0.019 1.372 1.00 0.00 O ATOM 0 H GLY A 26 2.203 -1.607 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.024 0.411 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.464 0.158 -0.087 1.00 0.00 H new ATOM 328 N ASN A 27 3.667 -1.732 1.714 1.00 0.00 N ATOM 329 CA ASN A 27 4.276 -2.140 2.980 1.00 0.00 C ATOM 330 C ASN A 27 5.647 -2.832 2.800 1.00 0.00 C ATOM 331 O ASN A 27 6.540 -2.648 3.621 1.00 0.00 O ATOM 332 CB ASN A 27 3.289 -2.993 3.792 1.00 0.00 C ATOM 333 CG ASN A 27 3.717 -3.130 5.246 1.00 0.00 C ATOM 334 OD1 ASN A 27 4.172 -4.164 5.714 1.00 0.00 O ATOM 335 ND2 ASN A 27 3.596 -2.057 6.007 1.00 0.00 N ATOM 0 H ASN A 27 2.880 -2.312 1.422 1.00 0.00 H new ATOM 0 HA ASN A 27 4.491 -1.234 3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.298 -2.542 3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.210 -3.983 3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.882 -2.091 6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.216 -1.195 5.616 1.00 0.00 H new ATOM 340 N ASN A 28 5.859 -3.546 1.686 1.00 0.00 N ATOM 341 CA ASN A 28 7.168 -4.094 1.298 1.00 0.00 C ATOM 342 C ASN A 28 8.211 -2.977 1.042 1.00 0.00 C ATOM 343 O ASN A 28 9.332 -3.046 1.539 1.00 0.00 O ATOM 344 CB ASN A 28 6.964 -5.015 0.080 1.00 0.00 C ATOM 345 CG ASN A 28 8.279 -5.607 -0.392 1.00 0.00 C ATOM 346 OD1 ASN A 28 8.887 -6.427 0.275 1.00 0.00 O ATOM 347 ND2 ASN A 28 8.778 -5.190 -1.545 1.00 0.00 N ATOM 0 H ASN A 28 5.117 -3.762 1.020 1.00 0.00 H new ATOM 0 HA ASN A 28 7.582 -4.681 2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.274 -5.818 0.340 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.505 -4.451 -0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.671 -5.555 -1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.269 -4.504 -2.103 1.00 0.00 H new ATOM 352 N ALA A 29 7.810 -1.906 0.337 1.00 0.00 N ATOM 353 CA ALA A 29 8.624 -0.695 0.210 1.00 0.00 C ATOM 354 C ALA A 29 8.837 -0.001 1.565 1.00 0.00 C ATOM 355 O ALA A 29 9.969 0.326 1.929 1.00 0.00 O ATOM 356 CB ALA A 29 7.989 0.247 -0.827 1.00 0.00 C ATOM 0 H ALA A 29 6.918 -1.859 -0.156 1.00 0.00 H new ATOM 0 HA ALA A 29 9.616 -0.978 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.596 1.148 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.937 -0.257 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.984 0.519 -0.504 1.00 0.00 H new ATOM 362 N ALA A 30 7.788 0.192 2.359 1.00 0.00 N ATOM 363 CA ALA A 30 7.879 0.789 3.697 1.00 0.00 C ATOM 364 C ALA A 30 8.670 -0.037 4.719 1.00 0.00 C ATOM 365 O ALA A 30 9.038 0.523 5.743 1.00 0.00 O ATOM 366 CB ALA A 30 6.478 1.133 4.223 1.00 0.00 C ATOM 0 H ALA A 30 6.837 -0.063 2.092 1.00 0.00 H new ATOM 0 HA ALA A 30 8.460 1.703 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.561 1.575 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.000 1.843 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.877 0.225 4.279 1.00 0.00 H new ATOM 372 N ALA A 31 9.027 -1.295 4.454 1.00 0.00 N ATOM 373 CA ALA A 31 9.966 -2.116 5.253 1.00 0.00 C ATOM 374 C ALA A 31 11.380 -2.218 4.651 1.00 0.00 C ATOM 375 O ALA A 31 12.373 -2.447 5.357 1.00 0.00 O ATOM 376 CB ALA A 31 9.364 -3.502 5.515 1.00 0.00 C ATOM 0 H ALA A 31 8.660 -1.799 3.646 1.00 0.00 H new ATOM 0 HA ALA A 31 10.101 -1.597 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.063 -4.097 6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.428 -3.394 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.173 -4.001 4.565 1.00 0.00 H new ATOM 382 N ASN A 32 11.513 -1.902 3.356 1.00 0.00 N ATOM 383 CA ASN A 32 12.669 -1.189 2.821 1.00 0.00 C ATOM 384 C ASN A 32 12.772 0.241 3.359 1.00 0.00 C ATOM 385 O ASN A 32 13.792 0.840 3.045 1.00 0.00 O ATOM 386 CB ASN A 32 12.680 -1.289 1.286 1.00 0.00 C ATOM 387 CG ASN A 32 13.054 -2.645 0.748 1.00 0.00 C ATOM 388 OD1 ASN A 32 14.197 -2.894 0.409 1.00 0.00 O ATOM 389 ND2 ASN A 32 12.110 -3.549 0.674 1.00 0.00 N ATOM 0 H ASN A 32 10.815 -2.137 2.650 1.00 0.00 H new ATOM 0 HA ASN A 32 13.579 -1.672 3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 32 11.692 -1.024 0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.379 -0.551 0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 32 12.325 -4.484 0.327 1.00 0.00 H new ATOM 0 HD22 ASN A 32 11.159 -3.319 0.963 1.00 0.00 H new ATOM 394 N TRP A 33 11.823 0.710 4.202 1.00 0.00 N ATOM 395 CA TRP A 33 11.878 1.667 5.325 1.00 0.00 C ATOM 396 C TRP A 33 12.923 2.780 5.132 1.00 0.00 C ATOM 397 O TRP A 33 12.603 3.941 4.873 1.00 0.00 O ATOM 398 CB TRP A 33 12.110 0.926 6.672 1.00 0.00 C ATOM 399 CG TRP A 33 11.620 1.708 7.836 1.00 0.00 C ATOM 400 CD1 TRP A 33 12.160 2.852 8.307 1.00 0.00 C ATOM 401 CD2 TRP A 33 10.375 1.510 8.565 1.00 0.00 C ATOM 402 NE1 TRP A 33 11.305 3.411 9.238 1.00 0.00 N ATOM 403 CE2 TRP A 33 10.124 2.698 9.309 1.00 0.00 C ATOM 404 CE3 TRP A 33 9.394 0.488 8.614 1.00 0.00 C ATOM 405 CZ2 TRP A 33 8.877 2.958 9.896 1.00 0.00 C ATOM 406 CZ3 TRP A 33 8.139 0.743 9.177 1.00 0.00 C ATOM 407 CH2 TRP A 33 7.863 1.995 9.758 1.00 0.00 C ATOM 0 H TRP A 33 10.866 0.375 4.090 1.00 0.00 H new ATOM 0 HA TRP A 33 10.906 2.160 5.349 1.00 0.00 H new ATOM 0 HB2 TRP A 33 11.603 -0.039 6.646 1.00 0.00 H new ATOM 0 HB3 TRP A 33 13.174 0.724 6.795 1.00 0.00 H new ATOM 0 HD1 TRP A 33 13.111 3.265 8.004 1.00 0.00 H new ATOM 0 HE1 TRP A 33 11.517 4.238 9.797 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.616 -0.491 8.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 8.701 3.874 10.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 7.379 -0.024 9.166 1.00 0.00 H new ATOM 0 HH2 TRP A 33 6.863 2.217 10.101 1.00 0.00 H new ATOM 416 N ALA A 34 14.174 2.362 5.266 1.00 0.00 N ATOM 417 CA ALA A 34 15.421 3.078 5.096 1.00 0.00 C ATOM 418 C ALA A 34 15.534 3.803 3.736 1.00 0.00 C ATOM 419 O ALA A 34 16.165 4.865 3.705 1.00 0.00 O ATOM 420 CB ALA A 34 16.463 1.977 5.253 1.00 0.00 C ATOM 0 H ALA A 34 14.355 1.393 5.529 1.00 0.00 H new ATOM 0 HA ALA A 34 15.534 3.891 5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.461 2.402 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.368 1.524 6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.306 1.216 4.488 1.00 0.00 H new ATOM 426 N THR A 35 14.927 3.294 2.647 1.00 0.00 N ATOM 427 CA THR A 35 14.635 4.159 1.477 1.00 0.00 C ATOM 428 C THR A 35 13.391 3.809 0.617 1.00 0.00 C ATOM 429 O THR A 35 12.850 4.699 -0.039 1.00 0.00 O ATOM 430 CB THR A 35 15.899 4.435 0.615 1.00 0.00 C ATOM 431 OG1 THR A 35 15.996 5.816 0.350 1.00 0.00 O ATOM 432 CG2 THR A 35 15.921 3.762 -0.754 1.00 0.00 C ATOM 0 H THR A 35 14.635 2.322 2.548 1.00 0.00 H new ATOM 0 HA THR A 35 14.327 5.091 1.950 1.00 0.00 H new ATOM 0 HB THR A 35 16.717 4.030 1.210 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.794 5.990 -0.192 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.845 4.020 -1.272 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.865 2.681 -0.629 1.00 0.00 H new ATOM 0 HG23 THR A 35 15.069 4.104 -1.341 1.00 0.00 H new ATOM 440 N GLY A 36 12.934 2.551 0.597 1.00 0.00 N ATOM 441 CA GLY A 36 11.955 2.010 -0.352 1.00 0.00 C ATOM 442 C GLY A 36 12.534 0.899 -1.238 1.00 0.00 C ATOM 443 O GLY A 36 11.804 0.077 -1.781 1.00 0.00 O ATOM 0 H GLY A 36 13.250 1.853 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.099 1.620 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.585 2.817 -0.985 1.00 0.00 H new ATOM 447 N GLY A 37 13.867 0.810 -1.290 1.00 0.00 N ATOM 448 CA GLY A 37 14.697 -0.280 -1.820 1.00 0.00 C ATOM 449 C GLY A 37 16.118 -0.183 -1.276 1.00 0.00 C ATOM 450 O GLY A 37 17.064 -0.089 -2.052 1.00 0.00 O ATOM 0 H GLY A 37 14.447 1.568 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.262 -1.242 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.714 -0.235 -2.909 1.00 0.00 H new ATOM 454 N ASN A 38 16.258 -0.164 0.048 1.00 0.00 N ATOM 455 CA ASN A 38 17.550 -0.043 0.745 1.00 0.00 C ATOM 456 C ASN A 38 17.811 -1.235 1.690 1.00 0.00 C ATOM 457 O ASN A 38 18.432 -2.229 1.305 1.00 0.00 O ATOM 458 CB ASN A 38 17.643 1.331 1.424 1.00 0.00 C ATOM 459 CG ASN A 38 19.027 1.616 1.954 1.00 0.00 C ATOM 460 OD1 ASN A 38 19.308 1.473 3.132 1.00 0.00 O ATOM 461 ND2 ASN A 38 19.941 2.027 1.107 1.00 0.00 N ATOM 0 H ASN A 38 15.464 -0.233 0.685 1.00 0.00 H new ATOM 0 HA ASN A 38 18.360 -0.094 0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.363 2.106 0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.926 1.378 2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.886 2.227 1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.706 2.147 0.122 1.00 0.00 H new ATOM 466 N ALA A 39 17.318 -1.144 2.933 1.00 0.00 N ATOM 467 CA ALA A 39 17.641 -2.101 3.989 1.00 0.00 C ATOM 468 C ALA A 39 16.942 -3.476 3.863 1.00 0.00 C ATOM 469 O ALA A 39 17.311 -4.421 4.564 1.00 0.00 O ATOM 470 CB ALA A 39 17.303 -1.452 5.336 1.00 0.00 C ATOM 0 H ALA A 39 16.684 -0.402 3.230 1.00 0.00 H new ATOM 0 HA ALA A 39 18.704 -2.327 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 39 17.535 -2.147 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 39 17.891 -0.543 5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.242 -1.204 5.364 1.00 0.00 H new ATOM 476 N GLY A 40 15.963 -3.611 2.968 1.00 0.00 N ATOM 477 CA GLY A 40 15.220 -4.856 2.750 1.00 0.00 C ATOM 478 C GLY A 40 15.880 -5.758 1.709 1.00 0.00 C ATOM 479 O GLY A 40 16.337 -6.853 2.047 1.00 0.00 O ATOM 0 H GLY A 40 15.658 -2.848 2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.138 -5.396 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.206 -4.618 2.429 1.00 0.00 H new ATOM 483 N TRP A 41 15.936 -5.306 0.454 1.00 0.00 N ATOM 484 CA TRP A 41 16.255 -6.153 -0.705 1.00 0.00 C ATOM 485 C TRP A 41 17.406 -5.644 -1.598 1.00 0.00 C ATOM 486 O TRP A 41 17.583 -6.116 -2.731 1.00 0.00 O ATOM 487 CB TRP A 41 14.966 -6.427 -1.492 1.00 0.00 C ATOM 488 CG TRP A 41 14.939 -7.719 -2.253 1.00 0.00 C ATOM 489 CD1 TRP A 41 14.862 -7.862 -3.600 1.00 0.00 C ATOM 490 CD2 TRP A 41 14.973 -9.077 -1.715 1.00 0.00 C ATOM 491 NE1 TRP A 41 14.827 -9.209 -3.917 1.00 0.00 N ATOM 492 CE2 TRP A 41 14.890 -10.000 -2.798 1.00 0.00 C ATOM 493 CE3 TRP A 41 15.061 -9.609 -0.404 1.00 0.00 C ATOM 494 CZ2 TRP A 41 14.892 -11.395 -2.600 1.00 0.00 C ATOM 495 CZ3 TRP A 41 15.050 -11.003 -0.187 1.00 0.00 C ATOM 496 CH2 TRP A 41 14.966 -11.895 -1.277 1.00 0.00 C ATOM 0 H TRP A 41 15.760 -4.332 0.208 1.00 0.00 H new ATOM 0 HA TRP A 41 16.655 -7.089 -0.315 1.00 0.00 H new ATOM 0 HB2 TRP A 41 14.127 -6.417 -0.796 1.00 0.00 H new ATOM 0 HB3 TRP A 41 14.808 -5.608 -2.194 1.00 0.00 H new ATOM 0 HD1 TRP A 41 14.833 -7.052 -4.313 1.00 0.00 H new ATOM 0 HE1 TRP A 41 14.762 -9.570 -4.869 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.137 -8.939 0.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 14.838 -12.070 -3.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.106 -11.390 0.820 1.00 0.00 H new ATOM 0 HH2 TRP A 41 14.958 -12.961 -1.102 1.00 0.00 H new ATOM 505 N ASN A 42 18.211 -4.698 -1.107 1.00 0.00 N ATOM 506 CA ASN A 42 19.293 -4.054 -1.873 1.00 0.00 C ATOM 507 C ASN A 42 20.639 -3.990 -1.113 1.00 0.00 C ATOM 508 O ASN A 42 21.450 -3.088 -1.341 1.00 0.00 O ATOM 509 CB ASN A 42 18.773 -2.674 -2.309 1.00 0.00 C ATOM 510 CG ASN A 42 19.482 -2.088 -3.522 1.00 0.00 C ATOM 511 OD1 ASN A 42 20.141 -1.061 -3.453 1.00 0.00 O ATOM 512 ND2 ASN A 42 19.366 -2.721 -4.666 1.00 0.00 N ATOM 0 H ASN A 42 18.132 -4.349 -0.152 1.00 0.00 H new ATOM 0 HA ASN A 42 19.536 -4.657 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.708 -2.754 -2.529 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.875 -1.981 -1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.826 -2.356 -5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.816 -3.578 -4.721 1.00 0.00 H new ATOM 517 N LYS A 43 20.896 -4.982 -0.260 1.00 0.00 N ATOM 518 CA LYS A 43 22.183 -5.203 0.461 1.00 0.00 C ATOM 519 C LYS A 43 22.766 -6.617 0.289 1.00 0.00 C ATOM 520 O LYS A 43 21.988 -7.565 0.027 1.00 0.00 O ATOM 521 CB LYS A 43 22.095 -4.736 1.921 1.00 0.00 C ATOM 522 CG LYS A 43 21.557 -5.724 2.960 1.00 0.00 C ATOM 523 CD LYS A 43 20.049 -5.996 2.861 1.00 0.00 C ATOM 524 CE LYS A 43 19.668 -7.013 3.939 1.00 0.00 C ATOM 525 NZ LYS A 43 18.201 -7.087 4.135 1.00 0.00 N ATOM 526 OXT LYS A 43 24.004 -6.771 0.405 1.00 0.00 O ATOM 0 H LYS A 43 20.197 -5.689 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 43 22.922 -4.566 -0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 43 23.093 -4.432 2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.467 -3.846 1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 43 22.091 -6.668 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.779 -5.341 3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 43 19.488 -5.072 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 43 19.797 -6.380 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 43 20.047 -7.996 3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 43 20.147 -6.741 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.978 -7.856 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.857 -6.185 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.738 -7.271 3.222 1.00 0.00 H new TER 532 LYS A 43