USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 160:sc= 0.164 (180deg=-0.705) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0922 X(o=-0.092,f=-0.21) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -6.07! C(o=-6.1!,f=-7.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -150:sc= -1.7 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.830 1.030 -1.905 1.00 0.00 N ATOM 2 CA GLU A 1 2.160 0.008 -1.109 1.00 0.00 C ATOM 3 C GLU A 1 1.804 -1.203 -1.967 1.00 0.00 C ATOM 4 O GLU A 1 1.028 -2.064 -1.553 1.00 0.00 O ATOM 5 CB GLU A 1 0.896 0.580 -0.465 1.00 0.00 C ATOM 6 CG GLU A 1 -0.018 1.295 -1.446 1.00 0.00 C ATOM 7 CD GLU A 1 0.304 2.772 -1.573 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.313 3.211 -0.983 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.453 3.487 -2.261 1.00 0.00 O ATOM 0 H1 GLU A 1 2.761 1.948 -1.421 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.831 0.776 -2.025 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.376 1.096 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 1 2.845 -0.313 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.342 -0.230 0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.183 1.275 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.066 0.823 -2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.053 1.179 -1.124 1.00 0.00 H new ATOM 16 N CYS A 2 2.377 -1.261 -3.165 1.00 0.00 N ATOM 17 CA CYS A 2 2.121 -2.364 -4.082 1.00 0.00 C ATOM 18 C CYS A 2 2.872 -3.619 -3.648 1.00 0.00 C ATOM 19 O CYS A 2 4.076 -3.577 -3.390 1.00 0.00 O ATOM 20 CB CYS A 2 2.531 -1.978 -5.505 1.00 0.00 C ATOM 21 SG CYS A 2 2.139 -0.255 -5.949 1.00 0.00 S ATOM 0 H CYS A 2 3.022 -0.556 -3.523 1.00 0.00 H new ATOM 0 HA CYS A 2 1.052 -2.577 -4.064 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.603 -2.136 -5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.034 -2.646 -6.209 1.00 0.00 H new ATOM 26 N LEU A 3 2.155 -4.734 -3.569 1.00 0.00 N ATOM 27 CA LEU A 3 2.753 -6.002 -3.166 1.00 0.00 C ATOM 28 C LEU A 3 2.825 -6.969 -4.344 1.00 0.00 C ATOM 29 O LEU A 3 1.906 -7.754 -4.572 1.00 0.00 O ATOM 30 CB LEU A 3 1.948 -6.629 -2.026 1.00 0.00 C ATOM 31 CG LEU A 3 1.109 -5.665 -1.188 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.095 -6.381 -0.595 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.955 -5.040 -0.088 1.00 0.00 C ATOM 0 H LEU A 3 1.158 -4.786 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 3 3.767 -5.803 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.284 -7.383 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.639 -7.148 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 3 0.748 -4.869 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.680 -5.678 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.713 -6.780 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.245 -7.198 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.341 -4.356 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.346 -5.824 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.784 -4.491 -0.534 1.00 0.00 H new ATOM 45 N GLU A 4 3.926 -6.906 -5.088 1.00 0.00 N ATOM 46 CA GLU A 4 4.118 -7.777 -6.241 1.00 0.00 C ATOM 47 C GLU A 4 4.879 -9.041 -5.848 1.00 0.00 C ATOM 48 O GLU A 4 4.847 -10.044 -6.561 1.00 0.00 O ATOM 49 CB GLU A 4 4.873 -7.037 -7.347 1.00 0.00 C ATOM 50 CG GLU A 4 6.334 -6.777 -7.018 1.00 0.00 C ATOM 51 CD GLU A 4 6.773 -5.373 -7.387 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.487 -4.942 -8.523 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.404 -4.707 -6.540 1.00 0.00 O ATOM 0 H GLU A 4 4.697 -6.262 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 4 3.135 -8.066 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.814 -7.619 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.378 -6.085 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.497 -6.936 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.956 -7.499 -7.547 1.00 0.00 H new ATOM 60 N ILE A 5 5.563 -8.982 -4.710 1.00 0.00 N ATOM 61 CA ILE A 5 6.331 -10.121 -4.222 1.00 0.00 C ATOM 62 C ILE A 5 5.420 -11.171 -3.595 1.00 0.00 C ATOM 63 O ILE A 5 5.814 -12.323 -3.416 1.00 0.00 O ATOM 64 CB ILE A 5 7.384 -9.686 -3.186 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.162 -10.902 -2.677 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.719 -8.954 -2.030 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.761 -11.742 -3.783 1.00 0.00 C ATOM 0 H ILE A 5 5.601 -8.158 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 5 6.838 -10.553 -5.085 1.00 0.00 H new ATOM 0 HB ILE A 5 8.085 -9.004 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.960 -10.562 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.497 -11.524 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.476 -8.653 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.205 -8.070 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.998 -9.614 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.298 -12.586 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.966 -12.112 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.452 -11.135 -4.368 1.00 0.00 H new ATOM 79 N PHE A 6 4.199 -10.765 -3.265 1.00 0.00 N ATOM 80 CA PHE A 6 3.230 -11.671 -2.658 1.00 0.00 C ATOM 81 C PHE A 6 3.027 -11.341 -1.182 1.00 0.00 C ATOM 82 O PHE A 6 2.731 -12.220 -0.373 1.00 0.00 O ATOM 83 CB PHE A 6 3.692 -13.121 -2.810 1.00 0.00 C ATOM 84 CG PHE A 6 4.486 -13.623 -1.637 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.375 -12.790 -0.979 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.342 -14.928 -1.194 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.107 -13.249 0.100 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.071 -15.393 -0.116 1.00 0.00 C ATOM 89 CZ PHE A 6 5.954 -14.552 0.533 1.00 0.00 C ATOM 0 H PHE A 6 3.856 -9.815 -3.407 1.00 0.00 H new ATOM 0 HA PHE A 6 2.278 -11.544 -3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.819 -13.759 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.297 -13.209 -3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.498 -11.770 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.652 -15.589 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.798 -12.590 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.951 -16.413 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.523 -14.912 1.377 1.00 0.00 H new ATOM 99 N LYS A 7 3.189 -10.068 -0.839 1.00 0.00 N ATOM 100 CA LYS A 7 3.023 -9.619 0.538 1.00 0.00 C ATOM 101 C LYS A 7 1.547 -9.570 0.921 1.00 0.00 C ATOM 102 O LYS A 7 0.703 -9.165 0.123 1.00 0.00 O ATOM 103 CB LYS A 7 3.656 -8.239 0.727 1.00 0.00 C ATOM 104 CG LYS A 7 4.401 -8.086 2.041 1.00 0.00 C ATOM 105 CD LYS A 7 5.847 -8.535 1.919 1.00 0.00 C ATOM 106 CE LYS A 7 6.624 -8.270 3.199 1.00 0.00 C ATOM 107 NZ LYS A 7 7.003 -6.835 3.331 1.00 0.00 N ATOM 0 H LYS A 7 3.435 -9.328 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 7 3.525 -10.334 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.345 -8.049 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.876 -7.480 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.369 -7.044 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.902 -8.671 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.880 -9.599 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.322 -8.012 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.022 -8.567 4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.523 -8.886 3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.531 -6.695 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.599 -6.558 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.144 -6.249 3.344 1.00 0.00 H new ATOM 121 N ALA A 8 1.245 -9.983 2.147 1.00 0.00 N ATOM 122 CA ALA A 8 -0.129 -9.982 2.636 1.00 0.00 C ATOM 123 C ALA A 8 -0.828 -8.668 2.307 1.00 0.00 C ATOM 124 O ALA A 8 -0.454 -7.610 2.813 1.00 0.00 O ATOM 125 CB ALA A 8 -0.155 -10.234 4.137 1.00 0.00 C ATOM 0 H ALA A 8 1.932 -10.322 2.820 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.668 -10.786 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.187 -10.231 4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.298 -11.202 4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.405 -9.450 4.647 1.00 0.00 H new ATOM 131 N CYS A 9 -1.845 -8.742 1.454 1.00 0.00 N ATOM 132 CA CYS A 9 -2.596 -7.558 1.055 1.00 0.00 C ATOM 133 C CYS A 9 -3.773 -7.318 1.997 1.00 0.00 C ATOM 134 O CYS A 9 -4.360 -8.261 2.526 1.00 0.00 O ATOM 135 CB CYS A 9 -3.101 -7.708 -0.381 1.00 0.00 C ATOM 136 SG CYS A 9 -4.914 -7.789 -0.528 1.00 0.00 S ATOM 0 H CYS A 9 -2.168 -9.610 1.026 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.927 -6.699 1.110 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.737 -6.868 -0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.672 -8.612 -0.813 1.00 0.00 H new ATOM 141 N ASN A 10 -4.112 -6.049 2.200 1.00 0.00 N ATOM 142 CA ASN A 10 -5.218 -5.684 3.077 1.00 0.00 C ATOM 143 C ASN A 10 -6.538 -5.667 2.311 1.00 0.00 C ATOM 144 O ASN A 10 -6.584 -5.397 1.111 1.00 0.00 O ATOM 145 CB ASN A 10 -4.965 -4.314 3.710 1.00 0.00 C ATOM 146 CG ASN A 10 -4.199 -4.412 5.015 1.00 0.00 C ATOM 147 OD1 ASN A 10 -3.299 -5.240 5.158 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.554 -3.565 5.974 1.00 0.00 N ATOM 0 H ASN A 10 -3.636 -5.256 1.769 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.286 -6.434 3.865 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.407 -3.691 3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.919 -3.818 3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.075 -3.584 6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.306 -2.896 5.811 1.00 0.00 H new ATOM 155 N PRO A 11 -7.637 -5.963 3.020 1.00 0.00 N ATOM 156 CA PRO A 11 -8.978 -5.987 2.427 1.00 0.00 C ATOM 157 C PRO A 11 -9.473 -4.593 2.055 1.00 0.00 C ATOM 158 O PRO A 11 -10.014 -4.386 0.970 1.00 0.00 O ATOM 159 CB PRO A 11 -9.846 -6.584 3.538 1.00 0.00 C ATOM 160 CG PRO A 11 -9.120 -6.264 4.799 1.00 0.00 C ATOM 161 CD PRO A 11 -7.657 -6.295 4.454 1.00 0.00 C ATOM 0 HA PRO A 11 -9.002 -6.554 1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.846 -6.150 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.965 -7.660 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.411 -5.285 5.179 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.353 -6.990 5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.090 -5.573 5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.220 -7.275 4.646 1.00 0.00 H new ATOM 169 N SER A 12 -9.283 -3.641 2.963 1.00 0.00 N ATOM 170 CA SER A 12 -9.713 -2.267 2.731 1.00 0.00 C ATOM 171 C SER A 12 -8.539 -1.396 2.296 1.00 0.00 C ATOM 172 O SER A 12 -8.654 -0.600 1.365 1.00 0.00 O ATOM 173 CB SER A 12 -10.350 -1.689 3.997 1.00 0.00 C ATOM 174 OG SER A 12 -11.315 -2.577 4.533 1.00 0.00 O ATOM 0 H SER A 12 -8.834 -3.796 3.866 1.00 0.00 H new ATOM 0 HA SER A 12 -10.453 -2.274 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.577 -1.495 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.819 -0.732 3.768 1.00 0.00 H new ATOM 0 HG SER A 12 -11.706 -2.186 5.342 1.00 0.00 H new ATOM 180 N ASN A 13 -7.408 -1.555 2.976 1.00 0.00 N ATOM 181 CA ASN A 13 -6.212 -0.783 2.661 1.00 0.00 C ATOM 182 C ASN A 13 -5.621 -1.218 1.324 1.00 0.00 C ATOM 183 O ASN A 13 -4.793 -2.128 1.265 1.00 0.00 O ATOM 184 CB ASN A 13 -5.169 -0.945 3.769 1.00 0.00 C ATOM 185 CG ASN A 13 -4.338 0.308 3.968 1.00 0.00 C ATOM 186 OD1 ASN A 13 -4.847 1.342 4.401 1.00 0.00 O ATOM 187 ND2 ASN A 13 -3.051 0.221 3.652 1.00 0.00 N ATOM 0 H ASN A 13 -7.295 -2.211 3.748 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.496 0.267 2.589 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.671 -1.197 4.703 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.511 -1.779 3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.442 1.032 3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.671 -0.656 3.296 1.00 0.00 H new ATOM 194 N ASP A 14 -6.050 -0.561 0.252 1.00 0.00 N ATOM 195 CA ASP A 14 -5.563 -0.878 -1.085 1.00 0.00 C ATOM 196 C ASP A 14 -4.038 -0.844 -1.131 1.00 0.00 C ATOM 197 O ASP A 14 -3.431 0.224 -1.062 1.00 0.00 O ATOM 198 CB ASP A 14 -6.138 0.104 -2.107 1.00 0.00 C ATOM 199 CG ASP A 14 -6.217 -0.490 -3.500 1.00 0.00 C ATOM 200 OD1 ASP A 14 -5.589 -1.544 -3.732 1.00 0.00 O ATOM 201 OD2 ASP A 14 -6.906 0.100 -4.358 1.00 0.00 O ATOM 0 H ASP A 14 -6.734 0.195 0.283 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.894 -1.886 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.134 0.412 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.520 1.001 -2.132 1.00 0.00 H new ATOM 206 N GLN A 15 -3.428 -2.019 -1.245 1.00 0.00 N ATOM 207 CA GLN A 15 -1.974 -2.122 -1.298 1.00 0.00 C ATOM 208 C GLN A 15 -1.494 -2.317 -2.732 1.00 0.00 C ATOM 209 O GLN A 15 -0.786 -1.473 -3.281 1.00 0.00 O ATOM 210 CB GLN A 15 -1.493 -3.281 -0.423 1.00 0.00 C ATOM 211 CG GLN A 15 -1.449 -2.947 1.059 1.00 0.00 C ATOM 212 CD GLN A 15 -0.465 -3.811 1.823 1.00 0.00 C ATOM 213 OE1 GLN A 15 -0.769 -4.947 2.186 1.00 0.00 O ATOM 214 NE2 GLN A 15 0.725 -3.275 2.071 1.00 0.00 N ATOM 0 H GLN A 15 -3.917 -2.912 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.554 -1.191 -0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.151 -4.137 -0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.497 -3.582 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.179 -1.898 1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.444 -3.072 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.935 -2.329 1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.429 -3.809 2.581 1.00 0.00 H new ATOM 223 N CYS A 16 -1.883 -3.437 -3.333 1.00 0.00 N ATOM 224 CA CYS A 16 -1.491 -3.744 -4.704 1.00 0.00 C ATOM 225 C CYS A 16 -1.544 -2.495 -5.578 1.00 0.00 C ATOM 226 O CYS A 16 -2.345 -1.591 -5.340 1.00 0.00 O ATOM 227 CB CYS A 16 -2.403 -4.827 -5.286 1.00 0.00 C ATOM 228 SG CYS A 16 -2.850 -6.137 -4.102 1.00 0.00 S ATOM 0 H CYS A 16 -2.469 -4.146 -2.893 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.465 -4.111 -4.689 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.315 -4.359 -5.655 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.908 -5.281 -6.144 1.00 0.00 H new ATOM 233 N CYS A 17 -0.686 -2.452 -6.592 1.00 0.00 N ATOM 234 CA CYS A 17 -0.634 -1.315 -7.503 1.00 0.00 C ATOM 235 C CYS A 17 -1.874 -1.272 -8.391 1.00 0.00 C ATOM 236 O CYS A 17 -2.801 -2.065 -8.222 1.00 0.00 O ATOM 237 CB CYS A 17 0.625 -1.387 -8.369 1.00 0.00 C ATOM 238 SG CYS A 17 1.898 -0.158 -7.934 1.00 0.00 S ATOM 0 H CYS A 17 -0.017 -3.192 -6.803 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.605 -0.404 -6.906 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.055 -2.385 -8.284 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.343 -1.249 -9.413 1.00 0.00 H new ATOM 243 N LYS A 18 -1.884 -0.341 -9.338 1.00 0.00 N ATOM 244 CA LYS A 18 -3.008 -0.194 -10.255 1.00 0.00 C ATOM 245 C LYS A 18 -2.745 -0.934 -11.563 1.00 0.00 C ATOM 246 O LYS A 18 -3.280 -2.019 -11.791 1.00 0.00 O ATOM 247 CB LYS A 18 -3.271 1.287 -10.539 1.00 0.00 C ATOM 248 CG LYS A 18 -4.222 1.937 -9.549 1.00 0.00 C ATOM 249 CD LYS A 18 -3.616 2.007 -8.157 1.00 0.00 C ATOM 250 CE LYS A 18 -4.319 3.044 -7.295 1.00 0.00 C ATOM 251 NZ LYS A 18 -5.530 2.485 -6.632 1.00 0.00 N ATOM 0 H LYS A 18 -1.126 0.324 -9.491 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.888 -0.630 -9.783 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.323 1.825 -10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.681 1.388 -11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.472 2.942 -9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.153 1.372 -9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.684 1.029 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.557 2.252 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.629 3.415 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.603 3.897 -7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.981 3.223 -6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.200 2.154 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.256 1.687 -6.023 1.00 0.00 H new ATOM 265 N SER A 19 -1.916 -0.341 -12.416 1.00 0.00 N ATOM 266 CA SER A 19 -1.583 -0.944 -13.702 1.00 0.00 C ATOM 267 C SER A 19 -0.930 -2.309 -13.509 1.00 0.00 C ATOM 268 O SER A 19 -0.960 -3.155 -14.402 1.00 0.00 O ATOM 269 CB SER A 19 -0.649 -0.026 -14.493 1.00 0.00 C ATOM 270 OG SER A 19 -0.640 -0.369 -15.867 1.00 0.00 O ATOM 0 H SER A 19 -1.463 0.556 -12.240 1.00 0.00 H new ATOM 0 HA SER A 19 -2.508 -1.079 -14.263 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.967 1.010 -14.376 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.362 -0.097 -14.091 1.00 0.00 H new ATOM 0 HG SER A 19 -0.037 0.233 -16.351 1.00 0.00 H new ATOM 276 N SER A 20 -0.339 -2.515 -12.336 1.00 0.00 N ATOM 277 CA SER A 20 0.326 -3.775 -12.026 1.00 0.00 C ATOM 278 C SER A 20 -0.659 -4.938 -12.087 1.00 0.00 C ATOM 279 O SER A 20 -1.853 -4.771 -11.834 1.00 0.00 O ATOM 280 CB SER A 20 0.970 -3.709 -10.640 1.00 0.00 C ATOM 281 OG SER A 20 1.834 -2.591 -10.532 1.00 0.00 O ATOM 0 H SER A 20 -0.307 -1.825 -11.585 1.00 0.00 H new ATOM 0 HA SER A 20 1.103 -3.940 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.194 -3.648 -9.877 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.530 -4.625 -10.452 1.00 0.00 H new ATOM 0 HG SER A 20 2.558 -2.796 -9.904 1.00 0.00 H new ATOM 287 N LYS A 21 -0.151 -6.119 -12.424 1.00 0.00 N ATOM 288 CA LYS A 21 -0.984 -7.312 -12.517 1.00 0.00 C ATOM 289 C LYS A 21 -1.090 -8.009 -11.164 1.00 0.00 C ATOM 290 O LYS A 21 -2.008 -8.797 -10.930 1.00 0.00 O ATOM 291 CB LYS A 21 -0.412 -8.278 -13.557 1.00 0.00 C ATOM 292 CG LYS A 21 -1.035 -8.129 -14.934 1.00 0.00 C ATOM 293 CD LYS A 21 -0.324 -7.066 -15.755 1.00 0.00 C ATOM 294 CE LYS A 21 -1.210 -6.540 -16.874 1.00 0.00 C ATOM 295 NZ LYS A 21 -0.497 -5.551 -17.728 1.00 0.00 N ATOM 0 H LYS A 21 0.834 -6.275 -12.637 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.983 -7.004 -12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.664 -8.119 -13.635 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.559 -9.301 -13.210 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.993 -9.084 -15.459 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.088 -7.867 -14.832 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.028 -6.242 -15.106 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.590 -7.483 -16.179 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.550 -7.373 -17.490 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.099 -6.076 -16.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.135 -5.217 -18.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.194 -4.744 -17.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.337 -6.000 -18.157 1.00 0.00 H new ATOM 309 N LEU A 22 -0.148 -7.713 -10.276 1.00 0.00 N ATOM 310 CA LEU A 22 -0.136 -8.310 -8.945 1.00 0.00 C ATOM 311 C LEU A 22 -1.550 -8.413 -8.382 1.00 0.00 C ATOM 312 O LEU A 22 -2.162 -7.407 -8.023 1.00 0.00 O ATOM 313 CB LEU A 22 0.741 -7.484 -8.002 1.00 0.00 C ATOM 314 CG LEU A 22 1.232 -6.142 -8.545 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.414 -5.142 -7.413 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.532 -6.321 -9.315 1.00 0.00 C ATOM 0 H LEU A 22 0.618 -7.063 -10.453 1.00 0.00 H new ATOM 0 HA LEU A 22 0.277 -9.315 -9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.180 -7.299 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.610 -8.083 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 22 0.479 -5.752 -9.229 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.764 -4.193 -7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.462 -4.990 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.147 -5.525 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.866 -5.355 -9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.293 -6.734 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.369 -7.002 -10.150 1.00 0.00 H new ATOM 328 N VAL A 23 -2.063 -9.637 -8.306 1.00 0.00 N ATOM 329 CA VAL A 23 -3.404 -9.873 -7.784 1.00 0.00 C ATOM 330 C VAL A 23 -3.352 -10.379 -6.347 1.00 0.00 C ATOM 331 O VAL A 23 -2.436 -11.107 -5.965 1.00 0.00 O ATOM 332 CB VAL A 23 -4.171 -10.891 -8.648 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.472 -12.242 -8.629 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.609 -11.019 -8.168 1.00 0.00 C ATOM 0 H VAL A 23 -1.570 -10.481 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.928 -8.917 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.185 -10.531 -9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.029 -12.948 -9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.462 -12.134 -9.023 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.424 -12.613 -7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.137 -11.742 -8.789 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.618 -11.356 -7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.104 -10.050 -8.239 1.00 0.00 H new ATOM 344 N CYS A 24 -4.344 -9.988 -5.552 1.00 0.00 N ATOM 345 CA CYS A 24 -4.413 -10.401 -4.156 1.00 0.00 C ATOM 346 C CYS A 24 -5.700 -11.174 -3.881 1.00 0.00 C ATOM 347 O CYS A 24 -5.742 -12.036 -3.003 1.00 0.00 O ATOM 348 CB CYS A 24 -4.332 -9.181 -3.237 1.00 0.00 C ATOM 349 SG CYS A 24 -5.387 -9.294 -1.756 1.00 0.00 S ATOM 0 H CYS A 24 -5.111 -9.386 -5.852 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.566 -11.056 -3.954 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.297 -9.044 -2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.613 -8.293 -3.804 1.00 0.00 H new ATOM 354 N SER A 25 -6.746 -10.860 -4.638 1.00 0.00 N ATOM 355 CA SER A 25 -8.035 -11.522 -4.473 1.00 0.00 C ATOM 356 C SER A 25 -7.994 -12.938 -5.040 1.00 0.00 C ATOM 357 O SER A 25 -8.285 -13.907 -4.339 1.00 0.00 O ATOM 358 CB SER A 25 -9.137 -10.716 -5.163 1.00 0.00 C ATOM 359 OG SER A 25 -10.418 -11.241 -4.861 1.00 0.00 O ATOM 0 H SER A 25 -6.726 -10.152 -5.372 1.00 0.00 H new ATOM 0 HA SER A 25 -8.252 -11.582 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.083 -9.675 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.980 -10.729 -6.242 1.00 0.00 H new ATOM 0 HG SER A 25 -11.105 -10.707 -5.312 1.00 0.00 H new ATOM 365 N ARG A 26 -7.631 -13.049 -6.313 1.00 0.00 N ATOM 366 CA ARG A 26 -7.553 -14.345 -6.975 1.00 0.00 C ATOM 367 C ARG A 26 -6.846 -15.366 -6.090 1.00 0.00 C ATOM 368 O ARG A 26 -7.395 -16.424 -5.781 1.00 0.00 O ATOM 369 CB ARG A 26 -6.819 -14.216 -8.311 1.00 0.00 C ATOM 370 CG ARG A 26 -7.679 -13.646 -9.427 1.00 0.00 C ATOM 371 CD ARG A 26 -6.988 -13.761 -10.777 1.00 0.00 C ATOM 372 NE ARG A 26 -7.884 -13.423 -11.880 1.00 0.00 N ATOM 373 CZ ARG A 26 -7.656 -13.766 -13.143 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.568 -14.454 -13.460 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.518 -13.421 -14.091 1.00 0.00 N ATOM 0 H ARG A 26 -7.386 -12.257 -6.907 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.570 -14.692 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.945 -13.578 -8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.454 -15.198 -8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.632 -14.174 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.901 -12.599 -9.219 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.121 -13.100 -10.798 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.617 -14.777 -10.909 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.731 -12.895 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.904 -14.721 -12.733 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.395 -14.716 -14.430 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.356 -12.892 -13.850 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.342 -13.685 -15.061 1.00 0.00 H new ATOM 389 N LYS A 27 -5.622 -15.043 -5.684 1.00 0.00 N ATOM 390 CA LYS A 27 -4.838 -15.930 -4.833 1.00 0.00 C ATOM 391 C LYS A 27 -4.999 -15.557 -3.363 1.00 0.00 C ATOM 392 O LYS A 27 -5.883 -14.779 -3.002 1.00 0.00 O ATOM 393 CB LYS A 27 -3.360 -15.872 -5.226 1.00 0.00 C ATOM 394 CG LYS A 27 -3.117 -16.071 -6.712 1.00 0.00 C ATOM 395 CD LYS A 27 -3.270 -17.528 -7.112 1.00 0.00 C ATOM 396 CE LYS A 27 -4.687 -17.835 -7.572 1.00 0.00 C ATOM 397 NZ LYS A 27 -4.707 -18.814 -8.694 1.00 0.00 N ATOM 0 H LYS A 27 -5.152 -14.172 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.206 -16.946 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.950 -14.908 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.815 -16.636 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.819 -15.461 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.115 -15.726 -6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.568 -17.762 -7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.014 -18.167 -6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.263 -18.230 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.174 -16.912 -7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.691 -18.996 -8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.179 -18.427 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.265 -19.704 -8.386 1.00 0.00 H new ATOM 411 N THR A 28 -4.140 -16.117 -2.517 1.00 0.00 N ATOM 412 CA THR A 28 -4.187 -15.843 -1.087 1.00 0.00 C ATOM 413 C THR A 28 -4.226 -14.343 -0.815 1.00 0.00 C ATOM 414 O THR A 28 -4.049 -13.533 -1.725 1.00 0.00 O ATOM 415 CB THR A 28 -2.975 -16.453 -0.357 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.349 -17.437 -1.188 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.399 -17.089 0.958 1.00 0.00 C ATOM 0 H THR A 28 -3.403 -16.764 -2.798 1.00 0.00 H new ATOM 0 HA THR A 28 -5.100 -16.303 -0.708 1.00 0.00 H new ATOM 0 HB THR A 28 -2.266 -15.653 -0.143 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.578 -17.819 -0.718 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.526 -17.513 1.455 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.850 -16.332 1.599 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.125 -17.879 0.763 1.00 0.00 H new ATOM 425 N ARG A 29 -4.458 -13.980 0.442 1.00 0.00 N ATOM 426 CA ARG A 29 -4.520 -12.577 0.833 1.00 0.00 C ATOM 427 C ARG A 29 -3.307 -11.812 0.310 1.00 0.00 C ATOM 428 O ARG A 29 -3.350 -10.592 0.156 1.00 0.00 O ATOM 429 CB ARG A 29 -4.598 -12.452 2.356 1.00 0.00 C ATOM 430 CG ARG A 29 -3.586 -13.317 3.090 1.00 0.00 C ATOM 431 CD ARG A 29 -4.246 -14.532 3.723 1.00 0.00 C ATOM 432 NE ARG A 29 -3.561 -14.954 4.942 1.00 0.00 N ATOM 433 CZ ARG A 29 -3.728 -16.146 5.503 1.00 0.00 C ATOM 434 NH1 ARG A 29 -4.553 -17.030 4.957 1.00 0.00 N ATOM 435 NH2 ARG A 29 -3.069 -16.457 6.612 1.00 0.00 N ATOM 0 H ARG A 29 -4.606 -14.638 1.207 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.418 -12.143 0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.443 -11.410 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.601 -12.724 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.812 -13.643 2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.093 -12.726 3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.286 -14.301 3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.253 -15.355 3.008 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.919 -14.297 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.061 -16.795 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.679 -17.945 5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.433 -15.780 7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.198 -17.373 7.042 1.00 0.00 H new ATOM 449 N ALA A 30 -2.228 -12.539 0.041 1.00 0.00 N ATOM 450 CA ALA A 30 -1.004 -11.930 -0.465 1.00 0.00 C ATOM 451 C ALA A 30 -1.161 -11.513 -1.923 1.00 0.00 C ATOM 452 O ALA A 30 -1.802 -12.208 -2.713 1.00 0.00 O ATOM 453 CB ALA A 30 0.166 -12.890 -0.311 1.00 0.00 C ATOM 0 H ALA A 30 -2.176 -13.550 0.165 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.803 -11.034 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.073 -12.422 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.300 -13.135 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.036 -13.802 -0.872 1.00 0.00 H new ATOM 459 N CYS A 31 -0.572 -10.375 -2.275 1.00 0.00 N ATOM 460 CA CYS A 31 -0.647 -9.865 -3.639 1.00 0.00 C ATOM 461 C CYS A 31 0.633 -10.179 -4.408 1.00 0.00 C ATOM 462 O CYS A 31 1.722 -9.750 -4.026 1.00 0.00 O ATOM 463 CB CYS A 31 -0.890 -8.354 -3.628 1.00 0.00 C ATOM 464 SG CYS A 31 -2.051 -7.779 -4.909 1.00 0.00 S ATOM 0 H CYS A 31 -0.037 -9.788 -1.634 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.481 -10.357 -4.139 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.273 -8.065 -2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.063 -7.842 -3.761 1.00 0.00 H new ATOM 469 N LYS A 32 0.494 -10.929 -5.496 1.00 0.00 N ATOM 470 CA LYS A 32 1.637 -11.300 -6.321 1.00 0.00 C ATOM 471 C LYS A 32 1.257 -11.324 -7.798 1.00 0.00 C ATOM 472 O LYS A 32 0.109 -11.595 -8.149 1.00 0.00 O ATOM 473 CB LYS A 32 2.173 -12.671 -5.900 1.00 0.00 C ATOM 474 CG LYS A 32 1.372 -13.835 -6.457 1.00 0.00 C ATOM 475 CD LYS A 32 1.101 -14.885 -5.393 1.00 0.00 C ATOM 476 CE LYS A 32 1.585 -16.259 -5.829 1.00 0.00 C ATOM 477 NZ LYS A 32 0.468 -17.109 -6.327 1.00 0.00 N ATOM 0 H LYS A 32 -0.400 -11.292 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 32 2.416 -10.551 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.208 -12.763 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.177 -12.732 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.427 -13.469 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.915 -14.288 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.598 -14.601 -4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.032 -14.924 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.334 -16.148 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.073 -16.755 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.839 -18.037 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.235 -17.236 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.019 -16.648 -7.144 1.00 0.00 H new ATOM 491 N TYR A 33 2.228 -11.040 -8.659 1.00 0.00 N ATOM 492 CA TYR A 33 1.995 -11.027 -10.098 1.00 0.00 C ATOM 493 C TYR A 33 1.286 -12.302 -10.546 1.00 0.00 C ATOM 494 O TYR A 33 1.764 -13.409 -10.301 1.00 0.00 O ATOM 495 CB TYR A 33 3.319 -10.876 -10.849 1.00 0.00 C ATOM 496 CG TYR A 33 3.586 -9.467 -11.328 1.00 0.00 C ATOM 497 CD1 TYR A 33 2.796 -8.885 -12.312 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.627 -8.717 -10.796 1.00 0.00 C ATOM 499 CE1 TYR A 33 3.037 -7.598 -12.752 1.00 0.00 C ATOM 500 CE2 TYR A 33 4.875 -7.429 -11.229 1.00 0.00 C ATOM 501 CZ TYR A 33 4.077 -6.874 -12.208 1.00 0.00 C ATOM 502 OH TYR A 33 4.319 -5.591 -12.643 1.00 0.00 O ATOM 0 H TYR A 33 3.185 -10.816 -8.385 1.00 0.00 H new ATOM 0 HA TYR A 33 1.355 -10.176 -10.329 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.134 -11.190 -10.197 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.319 -11.549 -11.707 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.980 -9.448 -12.740 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.254 -9.149 -10.030 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.414 -7.161 -13.518 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.689 -6.860 -10.804 1.00 0.00 H new ATOM 0 HH TYR A 33 5.086 -5.220 -12.158 1.00 0.00 H new ATOM 512 N GLN A 34 0.143 -12.135 -11.204 1.00 0.00 N ATOM 513 CA GLN A 34 -0.633 -13.272 -11.686 1.00 0.00 C ATOM 514 C GLN A 34 -0.024 -13.844 -12.962 1.00 0.00 C ATOM 515 O GLN A 34 -0.317 -14.977 -13.347 1.00 0.00 O ATOM 516 CB GLN A 34 -2.082 -12.855 -11.942 1.00 0.00 C ATOM 517 CG GLN A 34 -2.227 -11.777 -13.004 1.00 0.00 C ATOM 518 CD GLN A 34 -3.532 -11.883 -13.769 1.00 0.00 C ATOM 519 OE1 GLN A 34 -4.295 -10.921 -13.854 1.00 0.00 O ATOM 520 NE2 GLN A 34 -3.794 -13.057 -14.332 1.00 0.00 N ATOM 0 H GLN A 34 -0.266 -11.225 -11.415 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.615 -14.045 -10.917 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.655 -13.731 -12.245 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.518 -12.496 -11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.166 -10.797 -12.532 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.394 -11.847 -13.703 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.133 -13.828 -14.236 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.657 -13.188 -14.860 1.00 0.00 H new ATOM 529 N ILE A 35 0.825 -13.056 -13.612 1.00 0.00 N ATOM 530 CA ILE A 35 1.476 -13.485 -14.844 1.00 0.00 C ATOM 531 C ILE A 35 2.133 -14.850 -14.671 1.00 0.00 C ATOM 532 O ILE A 35 2.665 -15.420 -15.624 1.00 0.00 O ATOM 533 CB ILE A 35 2.540 -12.470 -15.302 1.00 0.00 C ATOM 534 CG1 ILE A 35 2.960 -12.756 -16.745 1.00 0.00 C ATOM 535 CG2 ILE A 35 3.745 -12.512 -14.375 1.00 0.00 C ATOM 536 CD1 ILE A 35 2.987 -11.523 -17.622 1.00 0.00 C ATOM 0 H ILE A 35 1.079 -12.117 -13.306 1.00 0.00 H new ATOM 0 HA ILE A 35 0.699 -13.552 -15.605 1.00 0.00 H new ATOM 0 HB ILE A 35 2.109 -11.470 -15.260 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.950 -13.212 -16.743 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.274 -13.484 -17.177 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.488 -11.789 -14.712 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.432 -12.265 -13.360 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.179 -13.512 -14.388 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.293 -11.801 -18.631 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.993 -11.078 -17.654 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.695 -10.801 -17.214 1.00 0.00 H new TER 548 ILE A 35