USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 278 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 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.29) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0711 X(o=-0.071,f=0) USER MOD Single : A 45 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0062) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.013) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.27) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0327 K(o=-0.033,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.572 12.418 -8.236 1.00 0.00 N ATOM 2 CA PHE A 17 34.819 11.543 -7.272 1.00 0.00 C ATOM 3 C PHE A 17 33.367 11.921 -6.981 1.00 0.00 C ATOM 4 O PHE A 17 33.022 13.071 -6.710 1.00 0.00 O ATOM 5 CB PHE A 17 35.682 11.449 -5.973 1.00 0.00 C ATOM 6 CG PHE A 17 35.055 10.678 -4.824 1.00 0.00 C ATOM 7 CD1 PHE A 17 34.554 9.371 -4.982 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.970 11.282 -3.556 1.00 0.00 C ATOM 9 CE1 PHE A 17 33.947 8.707 -3.905 1.00 0.00 C ATOM 10 CE2 PHE A 17 34.380 10.613 -2.476 1.00 0.00 C ATOM 11 CZ PHE A 17 33.863 9.325 -2.653 1.00 0.00 C ATOM 0 HA PHE A 17 34.689 10.573 -7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.634 10.982 -6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.903 12.460 -5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 17 34.638 8.877 -5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 17 35.366 12.277 -3.413 1.00 0.00 H new ATOM 0 HE1 PHE A 17 33.543 7.715 -4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 17 34.324 11.090 -1.509 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.400 8.809 -1.825 1.00 0.00 H new ATOM 23 N ASP A 18 32.472 10.907 -7.019 1.00 0.00 N ATOM 24 CA ASP A 18 31.123 11.030 -6.530 1.00 0.00 C ATOM 25 C ASP A 18 30.792 9.668 -5.930 1.00 0.00 C ATOM 26 O ASP A 18 31.419 8.663 -6.270 1.00 0.00 O ATOM 27 CB ASP A 18 30.159 11.412 -7.696 1.00 0.00 C ATOM 28 CG ASP A 18 28.793 11.922 -7.243 1.00 0.00 C ATOM 29 OD1 ASP A 18 28.599 12.112 -6.013 1.00 0.00 O ATOM 30 OD2 ASP A 18 27.935 12.131 -8.138 1.00 0.00 O ATOM 0 H ASP A 18 32.689 9.985 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 18 31.014 11.818 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.635 12.178 -8.308 1.00 0.00 H new ATOM 0 HB3 ASP A 18 30.015 10.539 -8.333 1.00 0.00 H new ATOM 35 N VAL A 19 29.801 9.606 -5.019 1.00 0.00 N ATOM 36 CA VAL A 19 29.335 8.362 -4.441 1.00 0.00 C ATOM 37 C VAL A 19 27.821 8.357 -4.552 1.00 0.00 C ATOM 38 O VAL A 19 27.156 9.354 -4.272 1.00 0.00 O ATOM 39 CB VAL A 19 29.846 8.170 -3.006 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.385 9.295 -2.055 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.456 6.778 -2.471 1.00 0.00 C ATOM 0 H VAL A 19 29.309 10.429 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 19 29.737 7.506 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 19 30.934 8.230 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.775 9.108 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.758 10.253 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.296 9.319 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.828 6.662 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.371 6.678 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.894 6.008 -3.107 1.00 0.00 H new ATOM 51 N VAL A 20 27.240 7.232 -5.022 1.00 0.00 N ATOM 52 CA VAL A 20 25.804 7.062 -5.201 1.00 0.00 C ATOM 53 C VAL A 20 25.408 5.728 -4.617 1.00 0.00 C ATOM 54 O VAL A 20 26.254 4.862 -4.408 1.00 0.00 O ATOM 55 CB VAL A 20 25.325 7.149 -6.656 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.587 8.565 -7.208 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.033 6.083 -7.521 1.00 0.00 C ATOM 0 H VAL A 20 27.777 6.407 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 20 25.323 7.894 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 20 24.253 6.954 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.245 8.622 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.047 9.296 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.655 8.780 -7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.682 6.158 -8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.110 6.248 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 20 25.807 5.090 -7.132 1.00 0.00 H new ATOM 67 N SER A 21 24.107 5.508 -4.324 1.00 0.00 N ATOM 68 CA SER A 21 23.627 4.230 -3.827 1.00 0.00 C ATOM 69 C SER A 21 23.530 3.159 -4.912 1.00 0.00 C ATOM 70 O SER A 21 23.321 3.445 -6.089 1.00 0.00 O ATOM 71 CB SER A 21 22.265 4.395 -3.096 1.00 0.00 C ATOM 72 OG SER A 21 21.246 4.893 -3.962 1.00 0.00 O ATOM 0 H SER A 21 23.378 6.214 -4.429 1.00 0.00 H new ATOM 0 HA SER A 21 24.374 3.881 -3.114 1.00 0.00 H new ATOM 0 HB2 SER A 21 21.955 3.433 -2.688 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.387 5.075 -2.253 1.00 0.00 H new ATOM 0 HG SER A 21 20.407 4.980 -3.463 1.00 0.00 H new ATOM 78 N CYS A 22 23.716 1.873 -4.523 1.00 0.00 N ATOM 79 CA CYS A 22 23.818 0.758 -5.458 1.00 0.00 C ATOM 80 C CYS A 22 22.639 -0.202 -5.309 1.00 0.00 C ATOM 81 O CYS A 22 22.524 -1.186 -6.034 1.00 0.00 O ATOM 82 CB CYS A 22 25.190 0.064 -5.229 1.00 0.00 C ATOM 83 SG CYS A 22 25.690 -1.204 -6.434 1.00 0.00 S ATOM 0 H CYS A 22 23.798 1.594 -3.545 1.00 0.00 H new ATOM 0 HA CYS A 22 23.771 1.118 -6.486 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.960 0.835 -5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 22 25.176 -0.396 -4.241 1.00 0.00 H new ATOM 88 N ASN A 23 21.710 0.104 -4.370 1.00 0.00 N ATOM 89 CA ASN A 23 20.457 -0.599 -4.107 1.00 0.00 C ATOM 90 C ASN A 23 20.614 -2.082 -3.744 1.00 0.00 C ATOM 91 O ASN A 23 19.893 -2.951 -4.229 1.00 0.00 O ATOM 92 CB ASN A 23 19.479 -0.395 -5.308 1.00 0.00 C ATOM 93 CG ASN A 23 18.029 -0.725 -4.939 1.00 0.00 C ATOM 94 OD1 ASN A 23 17.528 -0.268 -3.910 1.00 0.00 O ATOM 95 ND2 ASN A 23 17.337 -1.524 -5.793 1.00 0.00 N ATOM 0 H ASN A 23 21.836 0.900 -3.744 1.00 0.00 H new ATOM 0 HA ASN A 23 20.035 -0.151 -3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.538 0.638 -5.651 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.792 -1.025 -6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.367 -1.765 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.788 -1.882 -6.635 1.00 0.00 H new ATOM 102 N LYS A 24 21.567 -2.395 -2.842 1.00 0.00 N ATOM 103 CA LYS A 24 21.749 -3.721 -2.287 1.00 0.00 C ATOM 104 C LYS A 24 22.109 -3.498 -0.827 1.00 0.00 C ATOM 105 O LYS A 24 22.742 -2.495 -0.502 1.00 0.00 O ATOM 106 CB LYS A 24 22.861 -4.505 -3.034 1.00 0.00 C ATOM 107 CG LYS A 24 23.089 -5.959 -2.571 1.00 0.00 C ATOM 108 CD LYS A 24 21.954 -6.931 -2.941 1.00 0.00 C ATOM 109 CE LYS A 24 22.016 -7.384 -4.402 1.00 0.00 C ATOM 110 NZ LYS A 24 20.875 -8.273 -4.699 1.00 0.00 N ATOM 0 H LYS A 24 22.234 -1.712 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 24 20.849 -4.327 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.619 -4.517 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.798 -3.959 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 24 24.019 -6.324 -3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 24 23.219 -5.966 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.004 -7.805 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.994 -6.450 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.995 -6.517 -5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.954 -7.906 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.922 -8.578 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.914 -9.107 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.984 -7.761 -4.535 1.00 0.00 H new ATOM 124 N ASN A 25 21.660 -4.375 0.101 1.00 0.00 N ATOM 125 CA ASN A 25 21.872 -4.224 1.531 1.00 0.00 C ATOM 126 C ASN A 25 22.775 -5.337 2.055 1.00 0.00 C ATOM 127 O ASN A 25 22.586 -6.506 1.724 1.00 0.00 O ATOM 128 CB ASN A 25 20.500 -4.231 2.265 1.00 0.00 C ATOM 129 CG ASN A 25 20.615 -3.953 3.769 1.00 0.00 C ATOM 130 OD1 ASN A 25 20.871 -2.821 4.184 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.457 -5.020 4.594 1.00 0.00 N ATOM 0 H ASN A 25 21.134 -5.215 -0.142 1.00 0.00 H new ATOM 0 HA ASN A 25 22.367 -3.272 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 25 19.850 -3.482 1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.022 -5.199 2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.550 -4.903 5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.246 -5.939 4.205 1.00 0.00 H new ATOM 138 N CYS A 26 23.757 -4.988 2.922 1.00 0.00 N ATOM 139 CA CYS A 26 24.569 -5.944 3.657 1.00 0.00 C ATOM 140 C CYS A 26 24.055 -6.013 5.085 1.00 0.00 C ATOM 141 O CYS A 26 23.535 -5.036 5.627 1.00 0.00 O ATOM 142 CB CYS A 26 26.069 -5.566 3.777 1.00 0.00 C ATOM 143 SG CYS A 26 26.949 -5.373 2.210 1.00 0.00 S ATOM 0 H CYS A 26 23.997 -4.017 3.121 1.00 0.00 H new ATOM 0 HA CYS A 26 24.493 -6.877 3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.147 -4.633 4.335 1.00 0.00 H new ATOM 0 HB3 CYS A 26 26.573 -6.333 4.365 1.00 0.00 H new ATOM 148 N THR A 27 24.232 -7.174 5.745 1.00 0.00 N ATOM 149 CA THR A 27 23.872 -7.378 7.143 1.00 0.00 C ATOM 150 C THR A 27 25.152 -7.937 7.712 1.00 0.00 C ATOM 151 O THR A 27 25.965 -8.466 6.964 1.00 0.00 O ATOM 152 CB THR A 27 22.741 -8.376 7.389 1.00 0.00 C ATOM 153 OG1 THR A 27 21.592 -8.017 6.632 1.00 0.00 O ATOM 154 CG2 THR A 27 22.264 -8.396 8.856 1.00 0.00 C ATOM 0 H THR A 27 24.635 -8.002 5.307 1.00 0.00 H new ATOM 0 HA THR A 27 23.500 -6.453 7.583 1.00 0.00 H new ATOM 0 HB THR A 27 23.151 -9.346 7.109 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.876 -8.665 6.797 1.00 0.00 H new ATOM 0 HG21 THR A 27 21.460 -9.124 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.095 -8.671 9.505 1.00 0.00 H new ATOM 0 HG23 THR A 27 21.899 -7.407 9.133 1.00 0.00 H new ATOM 162 N SER A 28 25.366 -7.888 9.039 1.00 0.00 N ATOM 163 CA SER A 28 26.621 -8.180 9.718 1.00 0.00 C ATOM 164 C SER A 28 27.275 -9.509 9.346 1.00 0.00 C ATOM 165 O SER A 28 28.489 -9.576 9.169 1.00 0.00 O ATOM 166 CB SER A 28 26.345 -8.135 11.241 1.00 0.00 C ATOM 167 OG SER A 28 27.495 -8.418 12.020 1.00 0.00 O ATOM 0 H SER A 28 24.625 -7.630 9.691 1.00 0.00 H new ATOM 0 HA SER A 28 27.340 -7.427 9.396 1.00 0.00 H new ATOM 0 HB2 SER A 28 25.966 -7.148 11.507 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.562 -8.853 11.484 1.00 0.00 H new ATOM 0 HG SER A 28 27.264 -8.375 12.971 1.00 0.00 H new ATOM 173 N GLY A 29 26.488 -10.594 9.179 1.00 0.00 N ATOM 174 CA GLY A 29 27.021 -11.893 8.794 1.00 0.00 C ATOM 175 C GLY A 29 27.345 -12.075 7.326 1.00 0.00 C ATOM 176 O GLY A 29 27.805 -13.150 6.951 1.00 0.00 O ATOM 0 H GLY A 29 25.476 -10.582 9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 29 27.928 -12.075 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 29 26.301 -12.658 9.083 1.00 0.00 H new ATOM 180 N GLN A 30 27.109 -11.073 6.443 1.00 0.00 N ATOM 181 CA GLN A 30 27.417 -11.229 5.030 1.00 0.00 C ATOM 182 C GLN A 30 27.881 -9.929 4.384 1.00 0.00 C ATOM 183 O GLN A 30 27.292 -8.864 4.550 1.00 0.00 O ATOM 184 CB GLN A 30 26.190 -11.795 4.252 1.00 0.00 C ATOM 185 CG GLN A 30 24.918 -10.911 4.311 1.00 0.00 C ATOM 186 CD GLN A 30 23.749 -11.565 3.567 1.00 0.00 C ATOM 187 OE1 GLN A 30 23.750 -11.663 2.338 1.00 0.00 O ATOM 188 NE2 GLN A 30 22.712 -12.009 4.325 1.00 0.00 N ATOM 0 H GLN A 30 26.712 -10.168 6.695 1.00 0.00 H new ATOM 0 HA GLN A 30 28.242 -11.939 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 30 26.472 -11.932 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.949 -12.781 4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.640 -10.740 5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.130 -9.936 3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 30 22.744 -11.912 5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 30 21.902 -12.439 3.879 1.00 0.00 H new ATOM 197 N ASN A 31 28.956 -9.983 3.564 1.00 0.00 N ATOM 198 CA ASN A 31 29.381 -8.838 2.778 1.00 0.00 C ATOM 199 C ASN A 31 28.824 -9.043 1.383 1.00 0.00 C ATOM 200 O ASN A 31 29.344 -9.839 0.605 1.00 0.00 O ATOM 201 CB ASN A 31 30.925 -8.712 2.712 1.00 0.00 C ATOM 202 CG ASN A 31 31.524 -8.520 4.107 1.00 0.00 C ATOM 203 OD1 ASN A 31 32.325 -9.342 4.558 1.00 0.00 O ATOM 204 ND2 ASN A 31 31.148 -7.417 4.806 1.00 0.00 N ATOM 0 H ASN A 31 29.534 -10.814 3.441 1.00 0.00 H new ATOM 0 HA ASN A 31 29.015 -7.920 3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 31 31.346 -9.606 2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 31 31.197 -7.869 2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 31 31.531 -7.248 5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.483 -6.759 4.401 1.00 0.00 H new ATOM 211 N GLU A 32 27.712 -8.352 1.056 1.00 0.00 N ATOM 212 CA GLU A 32 26.905 -8.691 -0.095 1.00 0.00 C ATOM 213 C GLU A 32 26.637 -7.448 -0.922 1.00 0.00 C ATOM 214 O GLU A 32 25.685 -6.718 -0.663 1.00 0.00 O ATOM 215 CB GLU A 32 25.577 -9.307 0.417 1.00 0.00 C ATOM 216 CG GLU A 32 24.591 -9.827 -0.661 1.00 0.00 C ATOM 217 CD GLU A 32 25.166 -10.961 -1.511 1.00 0.00 C ATOM 218 OE1 GLU A 32 25.525 -12.021 -0.937 1.00 0.00 O ATOM 219 OE2 GLU A 32 25.241 -10.770 -2.753 1.00 0.00 O ATOM 0 H GLU A 32 27.366 -7.554 1.588 1.00 0.00 H new ATOM 0 HA GLU A 32 27.424 -9.409 -0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.820 -10.134 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.062 -8.556 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 32 23.680 -10.174 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.308 -9.001 -1.313 1.00 0.00 H new ATOM 226 N CYS A 33 27.454 -7.190 -1.966 1.00 0.00 N ATOM 227 CA CYS A 33 27.196 -6.148 -2.943 1.00 0.00 C ATOM 228 C CYS A 33 27.481 -6.738 -4.309 1.00 0.00 C ATOM 229 O CYS A 33 28.260 -7.692 -4.376 1.00 0.00 O ATOM 230 CB CYS A 33 28.080 -4.881 -2.772 1.00 0.00 C ATOM 231 SG CYS A 33 27.852 -4.019 -1.187 1.00 0.00 S ATOM 0 H CYS A 33 28.313 -7.711 -2.142 1.00 0.00 H new ATOM 0 HA CYS A 33 26.163 -5.825 -2.812 1.00 0.00 H new ATOM 0 HB2 CYS A 33 29.127 -5.167 -2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.862 -4.188 -3.584 1.00 0.00 H new ATOM 236 N PRO A 34 26.932 -6.244 -5.420 1.00 0.00 N ATOM 237 CA PRO A 34 27.459 -6.533 -6.750 1.00 0.00 C ATOM 238 C PRO A 34 28.803 -5.844 -6.956 1.00 0.00 C ATOM 239 O PRO A 34 29.147 -4.916 -6.223 1.00 0.00 O ATOM 240 CB PRO A 34 26.383 -5.969 -7.693 1.00 0.00 C ATOM 241 CG PRO A 34 25.770 -4.812 -6.903 1.00 0.00 C ATOM 242 CD PRO A 34 25.780 -5.336 -5.468 1.00 0.00 C ATOM 0 HA PRO A 34 27.646 -7.593 -6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.816 -5.626 -8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 34 25.636 -6.722 -7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 34 26.356 -3.899 -7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.760 -4.582 -7.242 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.884 -4.524 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.853 -5.857 -5.229 1.00 0.00 H new ATOM 250 N GLU A 35 29.608 -6.311 -7.936 1.00 0.00 N ATOM 251 CA GLU A 35 30.954 -5.813 -8.163 1.00 0.00 C ATOM 252 C GLU A 35 30.991 -4.351 -8.594 1.00 0.00 C ATOM 253 O GLU A 35 30.183 -3.893 -9.398 1.00 0.00 O ATOM 254 CB GLU A 35 31.710 -6.669 -9.218 1.00 0.00 C ATOM 255 CG GLU A 35 32.025 -8.123 -8.768 1.00 0.00 C ATOM 256 CD GLU A 35 33.084 -8.238 -7.663 1.00 0.00 C ATOM 257 OE1 GLU A 35 33.676 -7.199 -7.272 1.00 0.00 O ATOM 258 OE2 GLU A 35 33.311 -9.392 -7.218 1.00 0.00 O ATOM 0 H GLU A 35 29.328 -7.046 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 35 31.453 -5.892 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 35 31.115 -6.706 -10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 35 32.646 -6.170 -9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 35 31.103 -8.588 -8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.361 -8.692 -9.635 1.00 0.00 H new ATOM 265 N GLY A 36 31.953 -3.581 -8.029 1.00 0.00 N ATOM 266 CA GLY A 36 32.063 -2.140 -8.231 1.00 0.00 C ATOM 267 C GLY A 36 31.417 -1.343 -7.128 1.00 0.00 C ATOM 268 O GLY A 36 31.603 -0.130 -7.043 1.00 0.00 O ATOM 0 H GLY A 36 32.675 -3.960 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 36 33.116 -1.867 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.601 -1.875 -9.182 1.00 0.00 H new ATOM 272 N CYS A 37 30.649 -2.009 -6.242 1.00 0.00 N ATOM 273 CA CYS A 37 29.977 -1.389 -5.119 1.00 0.00 C ATOM 274 C CYS A 37 30.537 -1.925 -3.812 1.00 0.00 C ATOM 275 O CYS A 37 31.049 -3.042 -3.754 1.00 0.00 O ATOM 276 CB CYS A 37 28.442 -1.627 -5.175 1.00 0.00 C ATOM 277 SG CYS A 37 27.686 -0.884 -6.656 1.00 0.00 S ATOM 0 H CYS A 37 30.485 -3.014 -6.303 1.00 0.00 H new ATOM 0 HA CYS A 37 30.155 -0.315 -5.175 1.00 0.00 H new ATOM 0 HB2 CYS A 37 28.241 -2.698 -5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.978 -1.207 -4.282 1.00 0.00 H new ATOM 282 N PHE A 38 30.456 -1.132 -2.716 1.00 0.00 N ATOM 283 CA PHE A 38 30.881 -1.579 -1.396 1.00 0.00 C ATOM 284 C PHE A 38 29.752 -1.191 -0.462 1.00 0.00 C ATOM 285 O PHE A 38 28.996 -0.277 -0.780 1.00 0.00 O ATOM 286 CB PHE A 38 32.216 -0.919 -0.885 1.00 0.00 C ATOM 287 CG PHE A 38 32.106 0.529 -0.424 1.00 0.00 C ATOM 288 CD1 PHE A 38 31.954 1.601 -1.320 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.125 0.803 0.960 1.00 0.00 C ATOM 290 CE1 PHE A 38 31.778 2.907 -0.839 1.00 0.00 C ATOM 291 CE2 PHE A 38 31.982 2.110 1.440 1.00 0.00 C ATOM 292 CZ PHE A 38 31.812 3.164 0.537 1.00 0.00 C ATOM 0 H PHE A 38 30.096 -0.178 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 38 31.086 -2.649 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.601 -1.516 -0.058 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.954 -0.971 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 38 31.973 1.418 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.252 -0.009 1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.616 3.718 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 38 32.003 2.303 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 38 31.707 4.176 0.901 1.00 0.00 H new ATOM 302 N CYS A 39 29.612 -1.834 0.715 1.00 0.00 N ATOM 303 CA CYS A 39 28.692 -1.367 1.736 1.00 0.00 C ATOM 304 C CYS A 39 29.444 -0.820 2.918 1.00 0.00 C ATOM 305 O CYS A 39 30.504 -1.313 3.305 1.00 0.00 O ATOM 306 CB CYS A 39 27.684 -2.474 2.167 1.00 0.00 C ATOM 307 SG CYS A 39 28.430 -4.058 2.668 1.00 0.00 S ATOM 0 H CYS A 39 30.130 -2.676 0.968 1.00 0.00 H new ATOM 0 HA CYS A 39 28.103 -0.559 1.302 1.00 0.00 H new ATOM 0 HB2 CYS A 39 27.087 -2.095 2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 39 26.999 -2.660 1.340 1.00 0.00 H new ATOM 312 N GLY A 40 28.883 0.243 3.536 1.00 0.00 N ATOM 313 CA GLY A 40 29.471 0.898 4.692 1.00 0.00 C ATOM 314 C GLY A 40 29.065 0.188 5.945 1.00 0.00 C ATOM 315 O GLY A 40 28.244 0.685 6.710 1.00 0.00 O ATOM 0 H GLY A 40 28.004 0.662 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.557 0.904 4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 40 29.149 1.939 4.733 1.00 0.00 H new ATOM 319 N LEU A 41 29.616 -1.022 6.165 1.00 0.00 N ATOM 320 CA LEU A 41 29.191 -1.885 7.245 1.00 0.00 C ATOM 321 C LEU A 41 30.098 -1.602 8.433 1.00 0.00 C ATOM 322 O LEU A 41 31.323 -1.714 8.358 1.00 0.00 O ATOM 323 CB LEU A 41 29.275 -3.370 6.800 1.00 0.00 C ATOM 324 CG LEU A 41 28.467 -4.399 7.629 1.00 0.00 C ATOM 325 CD1 LEU A 41 28.906 -4.546 9.091 1.00 0.00 C ATOM 326 CD2 LEU A 41 26.960 -4.128 7.535 1.00 0.00 C ATOM 0 H LEU A 41 30.364 -1.412 5.592 1.00 0.00 H new ATOM 0 HA LEU A 41 28.154 -1.694 7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 41 28.941 -3.433 5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 41 30.323 -3.670 6.816 1.00 0.00 H new ATOM 0 HG LEU A 41 28.692 -5.361 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 41 28.280 -5.289 9.586 1.00 0.00 H new ATOM 0 HD12 LEU A 41 29.947 -4.866 9.128 1.00 0.00 H new ATOM 0 HD13 LEU A 41 28.803 -3.588 9.600 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.420 -4.867 8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 41 26.745 -3.130 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.643 -4.195 6.494 1.00 0.00 H new ATOM 338 N LEU A 42 29.511 -1.188 9.577 1.00 0.00 N ATOM 339 CA LEU A 42 30.257 -0.539 10.633 1.00 0.00 C ATOM 340 C LEU A 42 30.816 -1.580 11.591 1.00 0.00 C ATOM 341 O LEU A 42 30.226 -1.851 12.636 1.00 0.00 O ATOM 342 CB LEU A 42 29.381 0.429 11.475 1.00 0.00 C ATOM 343 CG LEU A 42 28.643 1.557 10.711 1.00 0.00 C ATOM 344 CD1 LEU A 42 29.485 2.266 9.633 1.00 0.00 C ATOM 345 CD2 LEU A 42 27.303 1.042 10.146 1.00 0.00 C ATOM 0 H LEU A 42 28.517 -1.301 9.776 1.00 0.00 H new ATOM 0 HA LEU A 42 31.048 0.028 10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 42 28.636 -0.164 12.006 1.00 0.00 H new ATOM 0 HB3 LEU A 42 30.017 0.891 12.230 1.00 0.00 H new ATOM 0 HG LEU A 42 28.444 2.333 11.450 1.00 0.00 H new ATOM 0 HD11 LEU A 42 28.885 3.039 9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 42 30.360 2.722 10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.806 1.540 8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 42 26.799 1.848 9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.491 0.215 9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.671 0.698 10.965 1.00 0.00 H new ATOM 357 N GLY A 43 31.973 -2.202 11.261 1.00 0.00 N ATOM 358 CA GLY A 43 32.739 -3.014 12.209 1.00 0.00 C ATOM 359 C GLY A 43 32.039 -4.254 12.704 1.00 0.00 C ATOM 360 O GLY A 43 32.150 -4.592 13.878 1.00 0.00 O ATOM 0 H GLY A 43 32.392 -2.149 10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.676 -3.309 11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.997 -2.394 13.068 1.00 0.00 H new ATOM 364 N GLN A 44 31.275 -4.918 11.807 1.00 0.00 N ATOM 365 CA GLN A 44 30.383 -6.054 12.027 1.00 0.00 C ATOM 366 C GLN A 44 29.425 -5.930 13.214 1.00 0.00 C ATOM 367 O GLN A 44 29.194 -6.871 13.971 1.00 0.00 O ATOM 368 CB GLN A 44 31.142 -7.425 12.024 1.00 0.00 C ATOM 369 CG GLN A 44 32.211 -7.661 13.120 1.00 0.00 C ATOM 370 CD GLN A 44 32.986 -8.971 12.928 1.00 0.00 C ATOM 371 OE1 GLN A 44 34.216 -8.990 13.008 1.00 0.00 O ATOM 372 NE2 GLN A 44 32.265 -10.092 12.670 1.00 0.00 N ATOM 0 H GLN A 44 31.275 -4.639 10.826 1.00 0.00 H new ATOM 0 HA GLN A 44 29.728 -6.031 11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.400 -8.219 12.104 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.626 -7.538 11.054 1.00 0.00 H new ATOM 0 HG2 GLN A 44 32.913 -6.827 13.121 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.726 -7.671 14.096 1.00 0.00 H new ATOM 0 HE21 GLN A 44 31.248 -10.042 12.610 1.00 0.00 H new ATOM 0 HE22 GLN A 44 32.740 -10.984 12.536 1.00 0.00 H new ATOM 381 N ASN A 45 28.786 -4.742 13.357 1.00 0.00 N ATOM 382 CA ASN A 45 27.720 -4.529 14.325 1.00 0.00 C ATOM 383 C ASN A 45 26.321 -4.814 13.786 1.00 0.00 C ATOM 384 O ASN A 45 25.627 -5.684 14.304 1.00 0.00 O ATOM 385 CB ASN A 45 27.756 -3.071 14.864 1.00 0.00 C ATOM 386 CG ASN A 45 28.932 -2.898 15.830 1.00 0.00 C ATOM 387 OD1 ASN A 45 28.850 -3.334 16.981 1.00 0.00 O ATOM 388 ND2 ASN A 45 30.037 -2.258 15.376 1.00 0.00 N ATOM 0 H ASN A 45 29.006 -3.917 12.799 1.00 0.00 H new ATOM 0 HA ASN A 45 27.911 -5.247 15.122 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.850 -2.370 14.034 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.820 -2.839 15.372 1.00 0.00 H new ATOM 0 HD21 ASN A 45 30.838 -2.123 15.993 1.00 0.00 H new ATOM 0 HD22 ASN A 45 30.068 -1.911 14.417 1.00 0.00 H new ATOM 395 N LYS A 46 25.859 -4.083 12.741 1.00 0.00 N ATOM 396 CA LYS A 46 24.463 -4.126 12.315 1.00 0.00 C ATOM 397 C LYS A 46 24.307 -4.425 10.832 1.00 0.00 C ATOM 398 O LYS A 46 24.396 -5.574 10.399 1.00 0.00 O ATOM 399 CB LYS A 46 23.711 -2.810 12.678 1.00 0.00 C ATOM 400 CG LYS A 46 23.556 -2.587 14.195 1.00 0.00 C ATOM 401 CD LYS A 46 22.849 -1.266 14.563 1.00 0.00 C ATOM 402 CE LYS A 46 21.389 -1.134 14.113 1.00 0.00 C ATOM 403 NZ LYS A 46 20.546 -2.145 14.782 1.00 0.00 N ATOM 0 H LYS A 46 26.445 -3.460 12.185 1.00 0.00 H new ATOM 0 HA LYS A 46 24.011 -4.952 12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 46 24.247 -1.964 12.248 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.723 -2.828 12.219 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.994 -3.419 14.619 1.00 0.00 H new ATOM 0 HG3 LYS A 46 24.543 -2.601 14.657 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.886 -1.147 15.646 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.417 -0.441 14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.020 -0.135 14.344 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.324 -1.256 13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.553 -2.008 14.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.856 -3.097 14.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.634 -2.043 15.813 1.00 0.00 H new ATOM 417 N LYS A 47 23.996 -3.393 10.021 1.00 0.00 N ATOM 418 CA LYS A 47 23.597 -3.537 8.643 1.00 0.00 C ATOM 419 C LYS A 47 23.990 -2.276 7.910 1.00 0.00 C ATOM 420 O LYS A 47 24.248 -1.249 8.538 1.00 0.00 O ATOM 421 CB LYS A 47 22.076 -3.818 8.547 1.00 0.00 C ATOM 422 CG LYS A 47 21.175 -2.698 9.103 1.00 0.00 C ATOM 423 CD LYS A 47 19.717 -3.144 9.313 1.00 0.00 C ATOM 424 CE LYS A 47 19.563 -4.089 10.509 1.00 0.00 C ATOM 425 NZ LYS A 47 18.143 -4.428 10.712 1.00 0.00 N ATOM 0 H LYS A 47 24.022 -2.422 10.332 1.00 0.00 H new ATOM 0 HA LYS A 47 24.099 -4.388 8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.817 -3.988 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.857 -4.741 9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.582 -2.350 10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.194 -1.851 8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.089 -2.266 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.358 -3.641 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 47 20.141 -4.998 10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.964 -3.619 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.052 -5.069 11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.601 -3.559 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.772 -4.895 9.860 1.00 0.00 H new ATOM 439 N GLY A 48 24.098 -2.331 6.565 1.00 0.00 N ATOM 440 CA GLY A 48 24.540 -1.175 5.805 1.00 0.00 C ATOM 441 C GLY A 48 24.235 -1.337 4.347 1.00 0.00 C ATOM 442 O GLY A 48 24.194 -2.444 3.818 1.00 0.00 O ATOM 0 H GLY A 48 23.886 -3.156 6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.050 -0.278 6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.612 -1.035 5.942 1.00 0.00 H new ATOM 446 N HIS A 49 24.029 -0.207 3.645 1.00 0.00 N ATOM 447 CA HIS A 49 23.559 -0.190 2.274 1.00 0.00 C ATOM 448 C HIS A 49 24.742 -0.052 1.326 1.00 0.00 C ATOM 449 O HIS A 49 25.729 0.612 1.645 1.00 0.00 O ATOM 450 CB HIS A 49 22.544 0.969 2.096 1.00 0.00 C ATOM 451 CG HIS A 49 21.809 1.023 0.784 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.960 -0.016 0.442 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.688 2.045 -0.107 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.348 0.396 -0.650 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.745 1.637 -1.025 1.00 0.00 N ATOM 0 H HIS A 49 24.190 0.723 4.031 1.00 0.00 H new ATOM 0 HA HIS A 49 23.053 -1.126 2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 49 21.808 0.903 2.897 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.076 1.911 2.228 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.222 2.984 -0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.614 -0.188 -1.185 1.00 0.00 H new ATOM 0 HE2 HIS A 49 20.410 2.166 -1.830 1.00 0.00 H new ATOM 463 N CYS A 50 24.700 -0.718 0.146 1.00 0.00 N ATOM 464 CA CYS A 50 25.785 -0.676 -0.823 1.00 0.00 C ATOM 465 C CYS A 50 25.802 0.629 -1.610 1.00 0.00 C ATOM 466 O CYS A 50 24.762 1.148 -2.029 1.00 0.00 O ATOM 467 CB CYS A 50 25.737 -1.849 -1.847 1.00 0.00 C ATOM 468 SG CYS A 50 25.886 -3.503 -1.096 1.00 0.00 S ATOM 0 H CYS A 50 23.909 -1.293 -0.145 1.00 0.00 H new ATOM 0 HA CYS A 50 26.690 -0.764 -0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.799 -1.796 -2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.541 -1.717 -2.571 1.00 0.00 H new ATOM 473 N TYR A 51 27.013 1.178 -1.848 1.00 0.00 N ATOM 474 CA TYR A 51 27.225 2.420 -2.565 1.00 0.00 C ATOM 475 C TYR A 51 28.165 2.111 -3.719 1.00 0.00 C ATOM 476 O TYR A 51 29.013 1.225 -3.618 1.00 0.00 O ATOM 477 CB TYR A 51 27.956 3.532 -1.766 1.00 0.00 C ATOM 478 CG TYR A 51 27.353 3.872 -0.429 1.00 0.00 C ATOM 479 CD1 TYR A 51 28.255 4.211 0.591 1.00 0.00 C ATOM 480 CD2 TYR A 51 25.983 3.792 -0.121 1.00 0.00 C ATOM 481 CE1 TYR A 51 27.826 4.370 1.913 1.00 0.00 C ATOM 482 CE2 TYR A 51 25.544 3.965 1.201 1.00 0.00 C ATOM 483 CZ TYR A 51 26.467 4.220 2.224 1.00 0.00 C ATOM 484 OH TYR A 51 26.022 4.287 3.562 1.00 0.00 O ATOM 0 H TYR A 51 27.881 0.746 -1.532 1.00 0.00 H new ATOM 0 HA TYR A 51 26.231 2.782 -2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 51 28.990 3.224 -1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 51 27.981 4.436 -2.374 1.00 0.00 H new ATOM 0 HD1 TYR A 51 29.299 4.352 0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 51 25.266 3.597 -0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 51 28.538 4.607 2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 51 24.491 3.901 1.431 1.00 0.00 H new ATOM 0 HH TYR A 51 25.050 4.163 3.590 1.00 0.00 H new ATOM 494 N LYS A 52 28.058 2.867 -4.828 1.00 0.00 N ATOM 495 CA LYS A 52 28.962 2.787 -5.961 1.00 0.00 C ATOM 496 C LYS A 52 29.956 3.933 -5.861 1.00 0.00 C ATOM 497 O LYS A 52 29.566 5.077 -5.618 1.00 0.00 O ATOM 498 CB LYS A 52 28.202 2.906 -7.304 1.00 0.00 C ATOM 499 CG LYS A 52 29.072 2.730 -8.564 1.00 0.00 C ATOM 500 CD LYS A 52 28.330 3.004 -9.889 1.00 0.00 C ATOM 501 CE LYS A 52 26.991 2.283 -10.038 1.00 0.00 C ATOM 502 NZ LYS A 52 26.466 2.488 -11.404 1.00 0.00 N ATOM 0 H LYS A 52 27.321 3.561 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 52 29.464 1.820 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 52 27.408 2.159 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 52 27.721 3.883 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 52 29.930 3.399 -8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 52 29.462 1.712 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 52 28.160 4.077 -9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.976 2.714 -10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.116 1.218 -9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.280 2.661 -9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.555 1.997 -11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.331 3.505 -11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.142 2.107 -12.097 1.00 0.00 H new ATOM 516 N ILE A 53 31.268 3.656 -6.065 1.00 0.00 N ATOM 517 CA ILE A 53 32.295 4.683 -6.175 1.00 0.00 C ATOM 518 C ILE A 53 32.640 4.891 -7.631 1.00 0.00 C ATOM 519 O ILE A 53 32.995 3.964 -8.357 1.00 0.00 O ATOM 520 CB ILE A 53 33.557 4.385 -5.358 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.221 4.380 -3.848 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.716 5.362 -5.687 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.347 3.846 -2.953 1.00 0.00 C ATOM 0 H ILE A 53 31.629 2.706 -6.156 1.00 0.00 H new ATOM 0 HA ILE A 53 31.879 5.596 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 53 33.912 3.393 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 53 32.978 5.396 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.328 3.776 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.587 5.110 -5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.971 5.281 -6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.405 6.383 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.029 3.877 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.577 2.818 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.236 4.463 -3.080 1.00 0.00 H new ATOM 535 N ILE A 54 32.526 6.156 -8.075 1.00 0.00 N ATOM 536 CA ILE A 54 32.876 6.623 -9.396 1.00 0.00 C ATOM 537 C ILE A 54 33.794 7.815 -9.258 1.00 0.00 C ATOM 538 O ILE A 54 33.706 8.578 -8.298 1.00 0.00 O ATOM 539 CB ILE A 54 31.664 6.971 -10.264 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.683 7.980 -9.597 1.00 0.00 C ATOM 541 CG2 ILE A 54 30.981 5.680 -10.755 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.588 7.354 -8.711 1.00 0.00 C ATOM 0 H ILE A 54 32.168 6.904 -7.481 1.00 0.00 H new ATOM 0 HA ILE A 54 33.379 5.806 -9.914 1.00 0.00 H new ATOM 0 HB ILE A 54 32.028 7.510 -11.139 1.00 0.00 H new ATOM 0 HG12 ILE A 54 31.262 8.676 -8.991 1.00 0.00 H new ATOM 0 HG13 ILE A 54 30.201 8.564 -10.381 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.120 5.936 -11.372 1.00 0.00 H new ATOM 0 HG22 ILE A 54 31.688 5.096 -11.344 1.00 0.00 H new ATOM 0 HG23 ILE A 54 30.651 5.094 -9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.961 8.143 -8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 54 28.975 6.681 -9.311 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.053 6.795 -7.899 1.00 0.00 H new ATOM 554 N GLY A 55 34.722 8.007 -10.219 1.00 0.00 N ATOM 555 CA GLY A 55 35.647 9.117 -10.163 1.00 0.00 C ATOM 556 C GLY A 55 36.660 8.969 -11.249 1.00 0.00 C ATOM 557 O GLY A 55 36.507 8.158 -12.159 1.00 0.00 O ATOM 0 H GLY A 55 34.836 7.401 -11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.110 10.059 -10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 55 36.140 9.146 -9.191 1.00 0.00 H new ATOM 561 N ASN A 56 37.733 9.771 -11.164 1.00 0.00 N ATOM 562 CA ASN A 56 38.850 9.768 -12.094 1.00 0.00 C ATOM 563 C ASN A 56 40.018 8.802 -11.709 1.00 0.00 C ATOM 564 O ASN A 56 39.912 8.073 -10.689 1.00 0.00 O ATOM 565 CB ASN A 56 39.342 11.238 -12.302 1.00 0.00 C ATOM 566 CG ASN A 56 39.798 11.903 -10.998 1.00 0.00 C ATOM 567 OD1 ASN A 56 39.835 11.282 -9.934 1.00 0.00 O ATOM 568 ND2 ASN A 56 40.121 13.219 -11.072 1.00 0.00 N ATOM 569 OXT ASN A 56 41.019 8.792 -12.477 1.00 0.00 O ATOM 0 H ASN A 56 37.841 10.458 -10.418 1.00 0.00 H new ATOM 0 HA ASN A 56 38.483 9.362 -13.037 1.00 0.00 H new ATOM 0 HB2 ASN A 56 40.167 11.243 -13.014 1.00 0.00 H new ATOM 0 HB3 ASN A 56 38.537 11.827 -12.742 1.00 0.00 H new ATOM 0 HD21 ASN A 56 40.405 13.723 -10.232 1.00 0.00 H new ATOM 0 HD22 ASN A 56 40.080 13.705 -11.968 1.00 0.00 H new TER 576 ASN A 56