USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 281 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+ -114:sc= 0.0859 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.266) USER MOD Single : A 10 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.26) 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= 0 X(o=0,f=0) 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 -47:sc= 0.105 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+ 168:sc= 0 (180deg=-0.169) USER MOD Single : A 28 THR OG1 : rot 150:sc= -0.175 USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -0.249 (180deg=-0.587) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0.04) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.641 9.822 8.161 1.00 0.00 N ATOM 2 CA GLU A 1 3.773 8.959 7.703 1.00 0.00 C ATOM 3 C GLU A 1 3.280 7.940 6.666 1.00 0.00 C ATOM 4 O GLU A 1 2.095 7.689 6.546 1.00 0.00 O ATOM 5 CB GLU A 1 4.268 8.249 8.967 1.00 0.00 C ATOM 6 CG GLU A 1 5.651 7.644 8.710 1.00 0.00 C ATOM 7 CD GLU A 1 6.409 7.510 10.034 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.284 6.473 10.664 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.102 8.448 10.394 1.00 0.00 O ATOM 0 H1 GLU A 1 2.804 10.802 7.852 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.751 9.474 7.751 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.579 9.792 9.199 1.00 0.00 H new ATOM 0 HA GLU A 1 4.565 9.536 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.317 8.954 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.566 7.467 9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.549 6.667 8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.212 8.275 8.021 1.00 0.00 H new ATOM 18 N CYS A 2 4.183 7.352 5.915 1.00 0.00 N ATOM 19 CA CYS A 2 3.769 6.348 4.883 1.00 0.00 C ATOM 20 C CYS A 2 3.093 5.140 5.546 1.00 0.00 C ATOM 21 O CYS A 2 3.268 4.886 6.724 1.00 0.00 O ATOM 22 CB CYS A 2 5.063 5.924 4.181 1.00 0.00 C ATOM 23 SG CYS A 2 6.136 5.041 5.345 1.00 0.00 S ATOM 0 H CYS A 2 5.187 7.524 5.972 1.00 0.00 H new ATOM 0 HA CYS A 2 3.048 6.765 4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 2 4.832 5.284 3.329 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.579 6.801 3.791 1.00 0.00 H new ATOM 28 N LEU A 3 2.320 4.399 4.794 1.00 0.00 N ATOM 29 CA LEU A 3 1.624 3.209 5.369 1.00 0.00 C ATOM 30 C LEU A 3 2.483 1.955 5.193 1.00 0.00 C ATOM 31 O LEU A 3 2.951 1.657 4.109 1.00 0.00 O ATOM 32 CB LEU A 3 0.317 3.082 4.578 1.00 0.00 C ATOM 33 CG LEU A 3 -0.610 4.259 4.906 1.00 0.00 C ATOM 34 CD1 LEU A 3 -1.903 4.133 4.095 1.00 0.00 C ATOM 35 CD2 LEU A 3 -0.946 4.251 6.401 1.00 0.00 C ATOM 0 H LEU A 3 2.141 4.567 3.804 1.00 0.00 H new ATOM 0 HA LEU A 3 1.440 3.320 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.529 3.062 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.176 2.141 4.822 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.108 5.193 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.562 4.970 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.667 4.142 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.401 3.197 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.605 5.089 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.445 3.316 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.028 4.342 6.981 1.00 0.00 H new ATOM 47 N GLU A 4 2.689 1.216 6.255 1.00 0.00 N ATOM 48 CA GLU A 4 3.513 -0.029 6.164 1.00 0.00 C ATOM 49 C GLU A 4 2.720 -1.139 5.461 1.00 0.00 C ATOM 50 O GLU A 4 1.611 -0.927 5.009 1.00 0.00 O ATOM 51 CB GLU A 4 3.816 -0.414 7.616 1.00 0.00 C ATOM 52 CG GLU A 4 5.083 0.309 8.082 1.00 0.00 C ATOM 53 CD GLU A 4 5.467 -0.178 9.482 1.00 0.00 C ATOM 54 OE1 GLU A 4 6.209 -1.142 9.571 1.00 0.00 O ATOM 55 OE2 GLU A 4 5.012 0.423 10.443 1.00 0.00 O ATOM 0 H GLU A 4 2.321 1.422 7.184 1.00 0.00 H new ATOM 0 HA GLU A 4 4.426 0.120 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.976 -0.147 8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.949 -1.493 7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.899 0.121 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.916 1.386 8.094 1.00 0.00 H new ATOM 62 N ILE A 5 3.283 -2.319 5.362 1.00 0.00 N ATOM 63 CA ILE A 5 2.566 -3.447 4.682 1.00 0.00 C ATOM 64 C ILE A 5 1.322 -3.861 5.490 1.00 0.00 C ATOM 65 O ILE A 5 1.257 -3.665 6.690 1.00 0.00 O ATOM 66 CB ILE A 5 3.604 -4.584 4.606 1.00 0.00 C ATOM 67 CG1 ILE A 5 3.358 -5.429 3.341 1.00 0.00 C ATOM 68 CG2 ILE A 5 3.532 -5.470 5.858 1.00 0.00 C ATOM 69 CD1 ILE A 5 2.186 -6.394 3.551 1.00 0.00 C ATOM 0 H ILE A 5 4.208 -2.551 5.722 1.00 0.00 H new ATOM 0 HA ILE A 5 2.200 -3.176 3.692 1.00 0.00 H new ATOM 0 HB ILE A 5 4.600 -4.145 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.148 -4.774 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.258 -5.991 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.273 -6.266 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.735 -4.867 6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.537 -5.907 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.031 -6.980 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.410 -7.063 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.283 -5.826 3.775 1.00 0.00 H new ATOM 81 N PHE A 6 0.337 -4.428 4.826 1.00 0.00 N ATOM 82 CA PHE A 6 -0.923 -4.868 5.516 1.00 0.00 C ATOM 83 C PHE A 6 -1.568 -3.698 6.276 1.00 0.00 C ATOM 84 O PHE A 6 -2.104 -3.870 7.355 1.00 0.00 O ATOM 85 CB PHE A 6 -0.500 -5.983 6.486 1.00 0.00 C ATOM 86 CG PHE A 6 -0.311 -7.283 5.733 1.00 0.00 C ATOM 87 CD1 PHE A 6 -1.284 -7.724 4.825 1.00 0.00 C ATOM 88 CD2 PHE A 6 0.841 -8.051 5.949 1.00 0.00 C ATOM 89 CE1 PHE A 6 -1.103 -8.929 4.135 1.00 0.00 C ATOM 90 CE2 PHE A 6 1.021 -9.255 5.258 1.00 0.00 C ATOM 91 CZ PHE A 6 0.049 -9.694 4.351 1.00 0.00 C ATOM 0 H PHE A 6 0.354 -4.607 3.822 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.667 -5.220 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.427 -5.706 6.988 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.257 -6.109 7.260 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.173 -7.134 4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.591 -7.714 6.649 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -1.853 -9.268 3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.910 -9.845 5.425 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.188 -10.623 3.818 1.00 0.00 H new ATOM 101 N LYS A 7 -1.528 -2.513 5.716 1.00 0.00 N ATOM 102 CA LYS A 7 -2.142 -1.334 6.398 1.00 0.00 C ATOM 103 C LYS A 7 -3.288 -0.776 5.547 1.00 0.00 C ATOM 104 O LYS A 7 -3.153 -0.609 4.349 1.00 0.00 O ATOM 105 CB LYS A 7 -1.011 -0.310 6.523 1.00 0.00 C ATOM 106 CG LYS A 7 -1.240 0.559 7.762 1.00 0.00 C ATOM 107 CD LYS A 7 0.039 0.601 8.605 1.00 0.00 C ATOM 108 CE LYS A 7 -0.137 -0.271 9.853 1.00 0.00 C ATOM 109 NZ LYS A 7 0.896 -1.340 9.733 1.00 0.00 N ATOM 0 H LYS A 7 -1.095 -2.313 4.814 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.562 -1.589 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.051 -0.821 6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.972 0.315 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.524 1.568 7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.064 0.158 8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.885 0.245 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.261 1.628 8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.004 0.312 10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.140 -0.696 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.708 -2.084 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.863 -1.749 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.838 -0.933 9.903 1.00 0.00 H new ATOM 123 N ALA A 8 -4.413 -0.492 6.160 1.00 0.00 N ATOM 124 CA ALA A 8 -5.585 0.054 5.399 1.00 0.00 C ATOM 125 C ALA A 8 -5.166 1.270 4.561 1.00 0.00 C ATOM 126 O ALA A 8 -4.629 2.233 5.077 1.00 0.00 O ATOM 127 CB ALA A 8 -6.599 0.464 6.470 1.00 0.00 C ATOM 0 H ALA A 8 -4.571 -0.615 7.160 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.997 -0.678 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.488 0.875 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.876 -0.408 7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.156 1.218 7.121 1.00 0.00 H new ATOM 133 N CYS A 9 -5.400 1.224 3.271 1.00 0.00 N ATOM 134 CA CYS A 9 -5.007 2.368 2.391 1.00 0.00 C ATOM 135 C CYS A 9 -6.120 2.690 1.381 1.00 0.00 C ATOM 136 O CYS A 9 -7.043 1.919 1.190 1.00 0.00 O ATOM 137 CB CYS A 9 -3.750 1.884 1.667 1.00 0.00 C ATOM 138 SG CYS A 9 -2.910 3.293 0.906 1.00 0.00 S ATOM 0 H CYS A 9 -5.846 0.443 2.790 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.834 3.282 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.082 1.385 2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.016 1.151 0.905 1.00 0.00 H new ATOM 143 N ASN A 10 -6.034 3.830 0.735 1.00 0.00 N ATOM 144 CA ASN A 10 -7.075 4.219 -0.266 1.00 0.00 C ATOM 145 C ASN A 10 -6.547 4.022 -1.696 1.00 0.00 C ATOM 146 O ASN A 10 -5.349 3.966 -1.910 1.00 0.00 O ATOM 147 CB ASN A 10 -7.348 5.703 0.002 1.00 0.00 C ATOM 148 CG ASN A 10 -8.760 5.874 0.568 1.00 0.00 C ATOM 149 OD1 ASN A 10 -9.090 5.308 1.591 1.00 0.00 O ATOM 150 ND2 ASN A 10 -9.614 6.639 -0.059 1.00 0.00 N ATOM 0 H ASN A 10 -5.283 4.509 0.860 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.976 3.612 -0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.614 6.097 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.244 6.274 -0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.557 6.761 0.311 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.338 7.115 -0.918 1.00 0.00 H new ATOM 157 N PRO A 11 -7.465 3.927 -2.632 1.00 0.00 N ATOM 158 CA PRO A 11 -7.088 3.737 -4.059 1.00 0.00 C ATOM 159 C PRO A 11 -6.482 5.025 -4.638 1.00 0.00 C ATOM 160 O PRO A 11 -5.380 5.020 -5.154 1.00 0.00 O ATOM 161 CB PRO A 11 -8.414 3.398 -4.739 1.00 0.00 C ATOM 162 CG PRO A 11 -9.467 3.993 -3.858 1.00 0.00 C ATOM 163 CD PRO A 11 -8.924 3.985 -2.453 1.00 0.00 C ATOM 0 HA PRO A 11 -6.333 2.964 -4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.459 3.816 -5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.543 2.320 -4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.705 5.009 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.390 3.417 -3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.223 4.879 -1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.291 3.127 -1.889 1.00 0.00 H new ATOM 171 N SER A 12 -7.189 6.126 -4.547 1.00 0.00 N ATOM 172 CA SER A 12 -6.654 7.415 -5.081 1.00 0.00 C ATOM 173 C SER A 12 -5.664 8.023 -4.080 1.00 0.00 C ATOM 174 O SER A 12 -4.635 8.551 -4.457 1.00 0.00 O ATOM 175 CB SER A 12 -7.877 8.319 -5.246 1.00 0.00 C ATOM 176 OG SER A 12 -7.487 9.524 -5.892 1.00 0.00 O ATOM 0 H SER A 12 -8.116 6.186 -4.125 1.00 0.00 H new ATOM 0 HA SER A 12 -6.120 7.285 -6.022 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.643 7.811 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.314 8.540 -4.272 1.00 0.00 H new ATOM 0 HG SER A 12 -8.269 10.105 -6.001 1.00 0.00 H new ATOM 182 N ASN A 13 -5.969 7.943 -2.806 1.00 0.00 N ATOM 183 CA ASN A 13 -5.050 8.504 -1.769 1.00 0.00 C ATOM 184 C ASN A 13 -4.041 7.435 -1.327 1.00 0.00 C ATOM 185 O ASN A 13 -3.982 7.062 -0.169 1.00 0.00 O ATOM 186 CB ASN A 13 -5.960 8.908 -0.602 1.00 0.00 C ATOM 187 CG ASN A 13 -6.451 10.344 -0.804 1.00 0.00 C ATOM 188 OD1 ASN A 13 -5.930 11.265 -0.206 1.00 0.00 O ATOM 189 ND2 ASN A 13 -7.438 10.575 -1.626 1.00 0.00 N ATOM 0 H ASN A 13 -6.818 7.512 -2.441 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.473 9.351 -2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.810 8.228 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.417 8.828 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.772 11.528 -1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.875 9.802 -2.128 1.00 0.00 H new ATOM 196 N ASP A 14 -3.246 6.942 -2.244 1.00 0.00 N ATOM 197 CA ASP A 14 -2.237 5.900 -1.880 1.00 0.00 C ATOM 198 C ASP A 14 -1.082 6.537 -1.094 1.00 0.00 C ATOM 199 O ASP A 14 -0.402 7.426 -1.573 1.00 0.00 O ATOM 200 CB ASP A 14 -1.748 5.302 -3.212 1.00 0.00 C ATOM 201 CG ASP A 14 -1.066 6.376 -4.073 1.00 0.00 C ATOM 202 OD1 ASP A 14 -1.774 7.181 -4.658 1.00 0.00 O ATOM 203 OD2 ASP A 14 0.153 6.367 -4.139 1.00 0.00 O ATOM 0 H ASP A 14 -3.252 7.215 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.660 5.125 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.049 4.489 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.591 4.875 -3.755 1.00 0.00 H new ATOM 208 N GLN A 15 -0.870 6.093 0.118 1.00 0.00 N ATOM 209 CA GLN A 15 0.227 6.668 0.955 1.00 0.00 C ATOM 210 C GLN A 15 1.172 5.558 1.440 1.00 0.00 C ATOM 211 O GLN A 15 1.766 5.663 2.495 1.00 0.00 O ATOM 212 CB GLN A 15 -0.491 7.315 2.143 1.00 0.00 C ATOM 213 CG GLN A 15 -1.267 8.551 1.676 1.00 0.00 C ATOM 214 CD GLN A 15 -0.405 9.800 1.867 1.00 0.00 C ATOM 215 OE1 GLN A 15 0.110 10.348 0.913 1.00 0.00 O ATOM 216 NE2 GLN A 15 -0.226 10.277 3.069 1.00 0.00 N ATOM 0 H GLN A 15 -1.411 5.354 0.566 1.00 0.00 H new ATOM 0 HA GLN A 15 0.839 7.381 0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.173 6.598 2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.234 7.597 2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.543 8.444 0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.194 8.646 2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.659 9.817 3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.346 11.110 3.207 1.00 0.00 H new ATOM 225 N CYS A 16 1.316 4.498 0.678 1.00 0.00 N ATOM 226 CA CYS A 16 2.221 3.380 1.099 1.00 0.00 C ATOM 227 C CYS A 16 3.681 3.845 1.144 1.00 0.00 C ATOM 228 O CYS A 16 4.050 4.828 0.527 1.00 0.00 O ATOM 229 CB CYS A 16 2.042 2.296 0.034 1.00 0.00 C ATOM 230 SG CYS A 16 2.170 0.666 0.808 1.00 0.00 S ATOM 0 H CYS A 16 0.846 4.359 -0.217 1.00 0.00 H new ATOM 0 HA CYS A 16 1.977 3.020 2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.072 2.405 -0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.801 2.403 -0.741 1.00 0.00 H new ATOM 235 N CYS A 17 4.514 3.141 1.871 1.00 0.00 N ATOM 236 CA CYS A 17 5.953 3.534 1.959 1.00 0.00 C ATOM 237 C CYS A 17 6.717 3.009 0.737 1.00 0.00 C ATOM 238 O CYS A 17 7.064 1.844 0.662 1.00 0.00 O ATOM 239 CB CYS A 17 6.471 2.886 3.248 1.00 0.00 C ATOM 240 SG CYS A 17 7.470 4.085 4.165 1.00 0.00 S ATOM 0 H CYS A 17 4.259 2.311 2.407 1.00 0.00 H new ATOM 0 HA CYS A 17 6.087 4.616 1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.634 2.549 3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.067 2.005 3.011 1.00 0.00 H new ATOM 245 N LYS A 18 6.980 3.865 -0.222 1.00 0.00 N ATOM 246 CA LYS A 18 7.725 3.426 -1.447 1.00 0.00 C ATOM 247 C LYS A 18 9.160 3.011 -1.087 1.00 0.00 C ATOM 248 O LYS A 18 9.744 2.164 -1.736 1.00 0.00 O ATOM 249 CB LYS A 18 7.726 4.637 -2.392 1.00 0.00 C ATOM 250 CG LYS A 18 8.415 5.838 -1.729 1.00 0.00 C ATOM 251 CD LYS A 18 7.617 7.110 -2.029 1.00 0.00 C ATOM 252 CE LYS A 18 7.807 8.120 -0.892 1.00 0.00 C ATOM 253 NZ LYS A 18 9.133 8.754 -1.146 1.00 0.00 N ATOM 0 H LYS A 18 6.711 4.849 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 18 7.257 2.559 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.240 4.382 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.702 4.899 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.483 5.684 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.434 5.938 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.947 7.544 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.560 6.869 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.010 8.863 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.787 7.627 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.329 9.457 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.874 8.025 -1.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.122 9.223 -2.074 1.00 0.00 H new ATOM 267 N SER A 19 9.726 3.591 -0.052 1.00 0.00 N ATOM 268 CA SER A 19 11.117 3.219 0.360 1.00 0.00 C ATOM 269 C SER A 19 11.181 1.732 0.737 1.00 0.00 C ATOM 270 O SER A 19 12.191 1.081 0.547 1.00 0.00 O ATOM 271 CB SER A 19 11.417 4.091 1.581 1.00 0.00 C ATOM 272 OG SER A 19 12.763 3.883 1.988 1.00 0.00 O ATOM 0 H SER A 19 9.283 4.306 0.524 1.00 0.00 H new ATOM 0 HA SER A 19 11.838 3.376 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.256 5.142 1.340 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.736 3.843 2.395 1.00 0.00 H new ATOM 0 HG SER A 19 12.959 4.442 2.769 1.00 0.00 H new ATOM 278 N SER A 20 10.107 1.193 1.266 1.00 0.00 N ATOM 279 CA SER A 20 10.095 -0.249 1.657 1.00 0.00 C ATOM 280 C SER A 20 9.496 -1.122 0.536 1.00 0.00 C ATOM 281 O SER A 20 9.106 -2.251 0.770 1.00 0.00 O ATOM 282 CB SER A 20 9.220 -0.303 2.911 1.00 0.00 C ATOM 283 OG SER A 20 9.467 -1.518 3.605 1.00 0.00 O ATOM 0 H SER A 20 9.236 1.694 1.443 1.00 0.00 H new ATOM 0 HA SER A 20 11.100 -0.633 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.437 0.548 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.167 -0.235 2.637 1.00 0.00 H new ATOM 0 HG SER A 20 9.451 -2.266 2.972 1.00 0.00 H new ATOM 289 N LYS A 21 9.432 -0.612 -0.679 1.00 0.00 N ATOM 290 CA LYS A 21 8.871 -1.406 -1.824 1.00 0.00 C ATOM 291 C LYS A 21 7.440 -1.885 -1.516 1.00 0.00 C ATOM 292 O LYS A 21 7.126 -3.055 -1.640 1.00 0.00 O ATOM 293 CB LYS A 21 9.829 -2.596 -1.992 1.00 0.00 C ATOM 294 CG LYS A 21 10.120 -2.827 -3.480 1.00 0.00 C ATOM 295 CD LYS A 21 10.931 -1.653 -4.041 1.00 0.00 C ATOM 296 CE LYS A 21 12.302 -2.149 -4.517 1.00 0.00 C ATOM 297 NZ LYS A 21 12.069 -2.706 -5.881 1.00 0.00 N ATOM 0 H LYS A 21 9.747 0.326 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 21 8.799 -0.812 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.759 -2.404 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.389 -3.493 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.672 -3.758 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.185 -2.931 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.394 -1.191 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.057 -0.887 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.027 -1.335 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.700 -2.909 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.966 -3.064 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.381 -3.484 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.698 -1.959 -6.502 1.00 0.00 H new ATOM 311 N LEU A 22 6.569 -0.984 -1.122 1.00 0.00 N ATOM 312 CA LEU A 22 5.156 -1.379 -0.811 1.00 0.00 C ATOM 313 C LEU A 22 4.173 -0.500 -1.598 1.00 0.00 C ATOM 314 O LEU A 22 4.412 0.676 -1.807 1.00 0.00 O ATOM 315 CB LEU A 22 4.993 -1.147 0.696 1.00 0.00 C ATOM 316 CG LEU A 22 5.897 -2.110 1.476 1.00 0.00 C ATOM 317 CD1 LEU A 22 5.839 -1.770 2.967 1.00 0.00 C ATOM 318 CD2 LEU A 22 5.422 -3.552 1.265 1.00 0.00 C ATOM 0 H LEU A 22 6.776 0.008 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 22 4.951 -2.413 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.247 -0.116 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.953 -1.297 0.985 1.00 0.00 H new ATOM 0 HG LEU A 22 6.921 -2.011 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.481 -2.454 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.181 -0.746 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.813 -1.867 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.067 -4.233 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.396 -3.653 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.464 -3.797 0.204 1.00 0.00 H new ATOM 330 N VAL A 23 3.068 -1.062 -2.034 1.00 0.00 N ATOM 331 CA VAL A 23 2.063 -0.260 -2.810 1.00 0.00 C ATOM 332 C VAL A 23 0.645 -0.497 -2.269 1.00 0.00 C ATOM 333 O VAL A 23 0.312 -1.581 -1.828 1.00 0.00 O ATOM 334 CB VAL A 23 2.165 -0.746 -4.268 1.00 0.00 C ATOM 335 CG1 VAL A 23 3.477 -0.257 -4.887 1.00 0.00 C ATOM 336 CG2 VAL A 23 2.115 -2.279 -4.325 1.00 0.00 C ATOM 0 H VAL A 23 2.818 -2.040 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 23 2.263 0.808 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 23 1.323 -0.342 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.544 -0.604 -5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.505 0.832 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.318 -0.651 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.188 -2.607 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.947 -2.692 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.174 -2.628 -3.899 1.00 0.00 H new ATOM 346 N CYS A 24 -0.193 0.512 -2.310 1.00 0.00 N ATOM 347 CA CYS A 24 -1.595 0.357 -1.809 1.00 0.00 C ATOM 348 C CYS A 24 -2.453 -0.361 -2.860 1.00 0.00 C ATOM 349 O CYS A 24 -2.737 0.178 -3.913 1.00 0.00 O ATOM 350 CB CYS A 24 -2.103 1.785 -1.587 1.00 0.00 C ATOM 351 SG CYS A 24 -1.358 2.466 -0.085 1.00 0.00 S ATOM 0 H CYS A 24 0.035 1.439 -2.670 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.643 -0.236 -0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.852 2.409 -2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.189 1.786 -1.499 1.00 0.00 H new ATOM 356 N SER A 25 -2.860 -1.576 -2.583 1.00 0.00 N ATOM 357 CA SER A 25 -3.694 -2.335 -3.568 1.00 0.00 C ATOM 358 C SER A 25 -5.158 -2.393 -3.109 1.00 0.00 C ATOM 359 O SER A 25 -5.452 -2.814 -2.006 1.00 0.00 O ATOM 360 CB SER A 25 -3.088 -3.739 -3.601 1.00 0.00 C ATOM 361 OG SER A 25 -2.067 -3.787 -4.589 1.00 0.00 O ATOM 0 H SER A 25 -2.651 -2.075 -1.718 1.00 0.00 H new ATOM 0 HA SER A 25 -3.694 -1.863 -4.551 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.677 -3.993 -2.624 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.860 -4.476 -3.823 1.00 0.00 H new ATOM 0 HG SER A 25 -1.675 -4.685 -4.611 1.00 0.00 H new ATOM 367 N ARG A 26 -6.078 -1.980 -3.954 1.00 0.00 N ATOM 368 CA ARG A 26 -7.528 -2.017 -3.574 1.00 0.00 C ATOM 369 C ARG A 26 -8.010 -3.470 -3.450 1.00 0.00 C ATOM 370 O ARG A 26 -8.867 -3.775 -2.642 1.00 0.00 O ATOM 371 CB ARG A 26 -8.270 -1.299 -4.709 1.00 0.00 C ATOM 372 CG ARG A 26 -9.690 -0.951 -4.249 1.00 0.00 C ATOM 373 CD ARG A 26 -10.487 -0.365 -5.419 1.00 0.00 C ATOM 374 NE ARG A 26 -11.053 0.914 -4.901 1.00 0.00 N ATOM 375 CZ ARG A 26 -12.331 1.166 -5.022 1.00 0.00 C ATOM 376 NH1 ARG A 26 -12.862 1.305 -6.209 1.00 0.00 N ATOM 377 NH2 ARG A 26 -13.078 1.282 -3.954 1.00 0.00 N ATOM 0 H ARG A 26 -5.886 -1.620 -4.889 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.707 -1.539 -2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.735 -0.392 -4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.308 -1.935 -5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.188 -1.843 -3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.651 -0.234 -3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.847 -0.191 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.277 -1.045 -5.738 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.441 1.595 -4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.280 1.217 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.859 1.501 -6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.664 1.176 -3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.075 1.478 -4.048 1.00 0.00 H new ATOM 391 N LYS A 27 -7.462 -4.368 -4.241 1.00 0.00 N ATOM 392 CA LYS A 27 -7.882 -5.804 -4.165 1.00 0.00 C ATOM 393 C LYS A 27 -7.635 -6.350 -2.751 1.00 0.00 C ATOM 394 O LYS A 27 -8.490 -6.988 -2.167 1.00 0.00 O ATOM 395 CB LYS A 27 -7.005 -6.533 -5.195 1.00 0.00 C ATOM 396 CG LYS A 27 -7.199 -8.050 -5.076 1.00 0.00 C ATOM 397 CD LYS A 27 -8.676 -8.404 -5.286 1.00 0.00 C ATOM 398 CE LYS A 27 -8.789 -9.676 -6.134 1.00 0.00 C ATOM 399 NZ LYS A 27 -8.254 -10.774 -5.277 1.00 0.00 N ATOM 0 H LYS A 27 -6.742 -4.166 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.943 -5.939 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.263 -6.204 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.957 -6.279 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.584 -8.563 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.870 -8.392 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.164 -8.553 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.190 -7.580 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.824 -9.868 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.217 -9.584 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.485 -11.693 -5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.222 -10.679 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.682 -10.716 -4.331 1.00 0.00 H new ATOM 413 N THR A 28 -6.476 -6.091 -2.197 1.00 0.00 N ATOM 414 CA THR A 28 -6.173 -6.581 -0.816 1.00 0.00 C ATOM 415 C THR A 28 -6.724 -5.608 0.240 1.00 0.00 C ATOM 416 O THR A 28 -6.819 -5.946 1.402 1.00 0.00 O ATOM 417 CB THR A 28 -4.642 -6.652 -0.728 1.00 0.00 C ATOM 418 OG1 THR A 28 -4.064 -5.543 -1.405 1.00 0.00 O ATOM 419 CG2 THR A 28 -4.149 -7.955 -1.361 1.00 0.00 C ATOM 0 H THR A 28 -5.726 -5.561 -2.642 1.00 0.00 H new ATOM 0 HA THR A 28 -6.636 -7.550 -0.626 1.00 0.00 H new ATOM 0 HB THR A 28 -4.345 -6.624 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.212 -5.308 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.062 -8.002 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.581 -8.804 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.452 -7.989 -2.407 1.00 0.00 H new ATOM 427 N ARG A 29 -7.080 -4.402 -0.162 1.00 0.00 N ATOM 428 CA ARG A 29 -7.623 -3.380 0.798 1.00 0.00 C ATOM 429 C ARG A 29 -6.521 -2.853 1.735 1.00 0.00 C ATOM 430 O ARG A 29 -6.806 -2.239 2.746 1.00 0.00 O ATOM 431 CB ARG A 29 -8.725 -4.087 1.598 1.00 0.00 C ATOM 432 CG ARG A 29 -9.795 -3.069 2.007 1.00 0.00 C ATOM 433 CD ARG A 29 -10.157 -3.265 3.484 1.00 0.00 C ATOM 434 NE ARG A 29 -11.115 -4.407 3.502 1.00 0.00 N ATOM 435 CZ ARG A 29 -10.669 -5.636 3.538 1.00 0.00 C ATOM 436 NH1 ARG A 29 -10.127 -6.104 4.633 1.00 0.00 N ATOM 437 NH2 ARG A 29 -10.765 -6.397 2.477 1.00 0.00 N ATOM 0 H ARG A 29 -7.015 -4.081 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.013 -2.513 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.173 -4.879 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.300 -4.559 2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.428 -2.056 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.682 -3.190 1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.272 -3.484 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.609 -2.365 3.902 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.119 -4.230 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.052 -5.510 5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.779 -7.063 4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.187 -6.031 1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.418 -7.356 2.504 1.00 0.00 H new ATOM 451 N TRP A 30 -5.268 -3.066 1.402 1.00 0.00 N ATOM 452 CA TRP A 30 -4.160 -2.554 2.270 1.00 0.00 C ATOM 453 C TRP A 30 -2.837 -2.514 1.494 1.00 0.00 C ATOM 454 O TRP A 30 -2.767 -2.892 0.339 1.00 0.00 O ATOM 455 CB TRP A 30 -4.065 -3.516 3.470 1.00 0.00 C ATOM 456 CG TRP A 30 -3.893 -4.939 3.022 1.00 0.00 C ATOM 457 CD1 TRP A 30 -2.890 -5.404 2.238 1.00 0.00 C ATOM 458 CD2 TRP A 30 -4.726 -6.091 3.340 1.00 0.00 C ATOM 459 NE1 TRP A 30 -3.061 -6.764 2.052 1.00 0.00 N ATOM 460 CE2 TRP A 30 -4.180 -7.233 2.710 1.00 0.00 C ATOM 461 CE3 TRP A 30 -5.896 -6.251 4.105 1.00 0.00 C ATOM 462 CZ2 TRP A 30 -4.772 -8.491 2.834 1.00 0.00 C ATOM 463 CZ3 TRP A 30 -6.495 -7.514 4.231 1.00 0.00 C ATOM 464 CH2 TRP A 30 -5.934 -8.632 3.597 1.00 0.00 C ATOM 0 H TRP A 30 -4.967 -3.571 0.569 1.00 0.00 H new ATOM 0 HA TRP A 30 -4.360 -1.535 2.602 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.225 -3.229 4.103 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.966 -3.431 4.078 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -2.088 -4.810 1.826 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -2.437 -7.349 1.497 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -6.336 -5.397 4.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.335 -9.349 2.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.393 -7.626 4.820 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -6.400 -9.601 3.698 1.00 0.00 H new ATOM 475 N CYS A 31 -1.788 -2.053 2.130 1.00 0.00 N ATOM 476 CA CYS A 31 -0.459 -1.978 1.449 1.00 0.00 C ATOM 477 C CYS A 31 0.091 -3.386 1.196 1.00 0.00 C ATOM 478 O CYS A 31 0.046 -4.245 2.056 1.00 0.00 O ATOM 479 CB CYS A 31 0.446 -1.219 2.420 1.00 0.00 C ATOM 480 SG CYS A 31 0.508 0.526 1.947 1.00 0.00 S ATOM 0 H CYS A 31 -1.796 -1.724 3.096 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.524 -1.483 0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.069 -1.318 3.438 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.449 -1.646 2.409 1.00 0.00 H new ATOM 485 N LYS A 32 0.607 -3.624 0.018 1.00 0.00 N ATOM 486 CA LYS A 32 1.159 -4.972 -0.307 1.00 0.00 C ATOM 487 C LYS A 32 2.487 -4.831 -1.061 1.00 0.00 C ATOM 488 O LYS A 32 2.682 -3.900 -1.820 1.00 0.00 O ATOM 489 CB LYS A 32 0.092 -5.621 -1.192 1.00 0.00 C ATOM 490 CG LYS A 32 0.360 -7.122 -1.315 1.00 0.00 C ATOM 491 CD LYS A 32 -0.129 -7.616 -2.678 1.00 0.00 C ATOM 492 CE LYS A 32 -0.033 -9.144 -2.739 1.00 0.00 C ATOM 493 NZ LYS A 32 -1.399 -9.637 -2.399 1.00 0.00 N ATOM 0 H LYS A 32 0.670 -2.939 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 32 1.369 -5.568 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.897 -5.453 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.097 -5.160 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.426 -7.323 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.150 -7.660 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.159 -7.300 -2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.471 -7.172 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.271 -9.480 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.708 -9.520 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.471 -10.648 -2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.573 -9.503 -1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.106 -9.104 -2.945 1.00 0.00 H new ATOM 507 N TYR A 33 3.402 -5.748 -0.851 1.00 0.00 N ATOM 508 CA TYR A 33 4.729 -5.679 -1.545 1.00 0.00 C ATOM 509 C TYR A 33 4.548 -5.601 -3.068 1.00 0.00 C ATOM 510 O TYR A 33 3.602 -6.135 -3.618 1.00 0.00 O ATOM 511 CB TYR A 33 5.446 -6.977 -1.160 1.00 0.00 C ATOM 512 CG TYR A 33 6.815 -6.655 -0.613 1.00 0.00 C ATOM 513 CD1 TYR A 33 7.856 -6.321 -1.486 1.00 0.00 C ATOM 514 CD2 TYR A 33 7.044 -6.691 0.768 1.00 0.00 C ATOM 515 CE1 TYR A 33 9.125 -6.023 -0.981 1.00 0.00 C ATOM 516 CE2 TYR A 33 8.314 -6.394 1.274 1.00 0.00 C ATOM 517 CZ TYR A 33 9.355 -6.059 0.400 1.00 0.00 C ATOM 518 OH TYR A 33 10.608 -5.765 0.898 1.00 0.00 O ATOM 0 H TYR A 33 3.286 -6.545 -0.226 1.00 0.00 H new ATOM 0 HA TYR A 33 5.292 -4.793 -1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.864 -7.519 -0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.535 -7.627 -2.030 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.679 -6.293 -2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.240 -6.948 1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.928 -5.765 -1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.491 -6.423 2.339 1.00 0.00 H new ATOM 0 HH TYR A 33 10.596 -5.835 1.875 1.00 0.00 H new ATOM 528 N GLN A 34 5.454 -4.939 -3.750 1.00 0.00 N ATOM 529 CA GLN A 34 5.343 -4.823 -5.237 1.00 0.00 C ATOM 530 C GLN A 34 5.968 -6.052 -5.913 1.00 0.00 C ATOM 531 O GLN A 34 7.004 -5.968 -6.548 1.00 0.00 O ATOM 532 CB GLN A 34 6.114 -3.548 -5.599 1.00 0.00 C ATOM 533 CG GLN A 34 5.809 -3.159 -7.050 1.00 0.00 C ATOM 534 CD GLN A 34 7.097 -2.708 -7.742 1.00 0.00 C ATOM 535 OE1 GLN A 34 7.850 -3.522 -8.242 1.00 0.00 O ATOM 536 NE2 GLN A 34 7.386 -1.436 -7.795 1.00 0.00 N ATOM 0 H GLN A 34 6.264 -4.475 -3.340 1.00 0.00 H new ATOM 0 HA GLN A 34 4.307 -4.774 -5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.832 -2.737 -4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.184 -3.710 -5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.377 -4.007 -7.581 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.071 -2.357 -7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.756 -0.752 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.242 -1.126 -8.255 1.00 0.00 H new ATOM 545 N ILE A 35 5.339 -7.192 -5.781 1.00 0.00 N ATOM 546 CA ILE A 35 5.886 -8.437 -6.415 1.00 0.00 C ATOM 547 C ILE A 35 5.474 -8.518 -7.894 1.00 0.00 C ATOM 548 O ILE A 35 6.139 -9.225 -8.633 1.00 0.00 O ATOM 549 CB ILE A 35 5.289 -9.608 -5.616 1.00 0.00 C ATOM 550 CG1 ILE A 35 3.756 -9.590 -5.712 1.00 0.00 C ATOM 551 CG2 ILE A 35 5.707 -9.494 -4.146 1.00 0.00 C ATOM 552 CD1 ILE A 35 3.199 -10.959 -5.317 1.00 0.00 C ATOM 553 OXT ILE A 35 4.505 -7.870 -8.264 1.00 0.00 O ATOM 0 H ILE A 35 4.470 -7.318 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 35 6.976 -8.454 -6.394 1.00 0.00 H new ATOM 0 HB ILE A 35 5.661 -10.544 -6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.350 -8.819 -5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.448 -9.341 -6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.283 -10.325 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.794 -9.524 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.342 -8.553 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.111 -10.943 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.594 -11.720 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.494 -11.190 -4.294 1.00 0.00 H new TER 565 ILE A 35