USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 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+ -165:sc= -0.0656 (180deg=-0.508) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.3!) USER MOD Single : A 15 GLN : amide:sc= -5.82! C(o=-5.8!,f=-5.6!) USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= -0.288 (180deg=-1.66!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -30:sc= -2.36 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= 0.103 USER MOD Single : A 32 LYS NZ :NH3+ -145:sc= -0.188 (180deg=-0.908) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.107 0.658 -0.441 1.00 0.00 N ATOM 2 CA GLU A 1 2.272 0.080 -1.099 1.00 0.00 C ATOM 3 C GLU A 1 1.876 -1.126 -1.946 1.00 0.00 C ATOM 4 O GLU A 1 1.063 -1.952 -1.529 1.00 0.00 O ATOM 5 CB GLU A 1 3.319 -0.333 -0.062 1.00 0.00 C ATOM 6 CG GLU A 1 3.725 0.793 0.874 1.00 0.00 C ATOM 7 CD GLU A 1 4.737 0.351 1.913 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.973 -0.870 2.029 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.293 1.225 2.610 1.00 0.00 O ATOM 0 H1 GLU A 1 1.344 1.606 -0.084 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.324 0.730 -1.122 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.820 0.051 0.353 1.00 0.00 H new ATOM 0 HA GLU A 1 2.700 0.838 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.927 -1.161 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.205 -0.702 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.144 1.613 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.839 1.180 1.377 1.00 0.00 H new ATOM 16 N CYS A 2 2.456 -1.221 -3.138 1.00 0.00 N ATOM 17 CA CYS A 2 2.164 -2.324 -4.045 1.00 0.00 C ATOM 18 C CYS A 2 2.915 -3.585 -3.628 1.00 0.00 C ATOM 19 O CYS A 2 4.124 -3.552 -3.390 1.00 0.00 O ATOM 20 CB CYS A 2 2.539 -1.946 -5.479 1.00 0.00 C ATOM 21 SG CYS A 2 2.226 -0.199 -5.893 1.00 0.00 S ATOM 0 H CYS A 2 3.131 -0.547 -3.498 1.00 0.00 H new ATOM 0 HA CYS A 2 1.094 -2.526 -3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.596 -2.162 -5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.979 -2.578 -6.168 1.00 0.00 H new ATOM 26 N LEU A 3 2.192 -4.696 -3.540 1.00 0.00 N ATOM 27 CA LEU A 3 2.789 -5.969 -3.151 1.00 0.00 C ATOM 28 C LEU A 3 2.835 -6.932 -4.333 1.00 0.00 C ATOM 29 O LEU A 3 1.907 -7.711 -4.548 1.00 0.00 O ATOM 30 CB LEU A 3 2.000 -6.595 -2.000 1.00 0.00 C ATOM 31 CG LEU A 3 1.176 -5.628 -1.148 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.002 -6.350 -0.512 1.00 0.00 C ATOM 33 CD2 LEU A 3 2.047 -4.981 -0.081 1.00 0.00 C ATOM 0 H LEU A 3 1.191 -4.741 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 3 3.810 -5.777 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.328 -7.347 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.700 -7.117 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 3 0.788 -4.842 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.577 -5.647 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.639 -6.765 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.365 -7.156 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.444 -4.296 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.465 -5.753 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.857 -4.429 -0.558 1.00 0.00 H new ATOM 45 N GLU A 4 3.923 -6.875 -5.095 1.00 0.00 N ATOM 46 CA GLU A 4 4.090 -7.743 -6.254 1.00 0.00 C ATOM 47 C GLU A 4 4.850 -9.013 -5.878 1.00 0.00 C ATOM 48 O GLU A 4 4.800 -10.013 -6.594 1.00 0.00 O ATOM 49 CB GLU A 4 4.832 -7.004 -7.371 1.00 0.00 C ATOM 50 CG GLU A 4 6.322 -6.855 -7.116 1.00 0.00 C ATOM 51 CD GLU A 4 6.933 -5.703 -7.889 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.300 -5.239 -8.861 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.044 -5.264 -7.524 1.00 0.00 O ATOM 0 H GLU A 4 4.701 -6.237 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 4 3.099 -8.024 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.684 -7.538 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.392 -6.014 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.491 -6.703 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.828 -7.781 -7.390 1.00 0.00 H new ATOM 60 N ILE A 5 5.551 -8.963 -4.751 1.00 0.00 N ATOM 61 CA ILE A 5 6.320 -10.108 -4.279 1.00 0.00 C ATOM 62 C ILE A 5 5.412 -11.156 -3.645 1.00 0.00 C ATOM 63 O ILE A 5 5.803 -12.312 -3.475 1.00 0.00 O ATOM 64 CB ILE A 5 7.389 -9.685 -3.255 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.168 -10.907 -2.764 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.744 -8.956 -2.086 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.742 -11.748 -3.882 1.00 0.00 C ATOM 0 H ILE A 5 5.603 -8.142 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 5 6.814 -10.537 -5.151 1.00 0.00 H new ATOM 0 HB ILE A 5 8.087 -9.004 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.980 -10.574 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.510 -11.527 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.513 -8.663 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.230 -8.066 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.026 -9.615 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.281 -12.596 -3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.933 -12.111 -4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.426 -11.144 -4.477 1.00 0.00 H new ATOM 79 N PHE A 6 4.196 -10.746 -3.298 1.00 0.00 N ATOM 80 CA PHE A 6 3.231 -11.650 -2.683 1.00 0.00 C ATOM 81 C PHE A 6 3.049 -11.326 -1.203 1.00 0.00 C ATOM 82 O PHE A 6 2.776 -12.211 -0.391 1.00 0.00 O ATOM 83 CB PHE A 6 3.684 -13.102 -2.847 1.00 0.00 C ATOM 84 CG PHE A 6 4.481 -13.617 -1.683 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.396 -12.800 -1.038 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.316 -14.917 -1.233 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.132 -13.271 0.033 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.048 -15.393 -0.162 1.00 0.00 C ATOM 89 CZ PHE A 6 5.957 -14.569 0.472 1.00 0.00 C ATOM 0 H PHE A 6 3.856 -9.794 -3.432 1.00 0.00 H new ATOM 0 HA PHE A 6 2.274 -11.517 -3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.807 -13.734 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.283 -13.187 -3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.536 -11.784 -1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.607 -15.566 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.843 -12.625 0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.909 -16.408 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.530 -14.939 1.309 1.00 0.00 H new ATOM 99 N LYS A 7 3.203 -10.052 -0.859 1.00 0.00 N ATOM 100 CA LYS A 7 3.055 -9.609 0.522 1.00 0.00 C ATOM 101 C LYS A 7 1.585 -9.563 0.925 1.00 0.00 C ATOM 102 O LYS A 7 0.722 -9.209 0.122 1.00 0.00 O ATOM 103 CB LYS A 7 3.689 -8.228 0.707 1.00 0.00 C ATOM 104 CG LYS A 7 4.665 -8.157 1.868 1.00 0.00 C ATOM 105 CD LYS A 7 5.906 -8.994 1.606 1.00 0.00 C ATOM 106 CE LYS A 7 7.177 -8.222 1.924 1.00 0.00 C ATOM 107 NZ LYS A 7 7.674 -8.515 3.297 1.00 0.00 N ATOM 0 H LYS A 7 3.430 -9.308 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 7 3.567 -10.326 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.208 -7.950 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.899 -7.493 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.954 -7.120 2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.176 -8.505 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.869 -9.900 2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.921 -9.307 0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.948 -8.476 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.987 -7.153 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.541 -7.970 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.948 -8.249 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.880 -9.531 3.382 1.00 0.00 H new ATOM 121 N ALA A 8 1.307 -9.923 2.174 1.00 0.00 N ATOM 122 CA ALA A 8 -0.059 -9.919 2.683 1.00 0.00 C ATOM 123 C ALA A 8 -0.767 -8.611 2.346 1.00 0.00 C ATOM 124 O ALA A 8 -0.392 -7.546 2.835 1.00 0.00 O ATOM 125 CB ALA A 8 -0.062 -10.150 4.187 1.00 0.00 C ATOM 0 H ALA A 8 2.009 -10.221 2.851 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.603 -10.731 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.088 -10.145 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.397 -11.113 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.503 -9.358 4.678 1.00 0.00 H new ATOM 131 N CYS A 9 -1.793 -8.699 1.506 1.00 0.00 N ATOM 132 CA CYS A 9 -2.554 -7.523 1.101 1.00 0.00 C ATOM 133 C CYS A 9 -3.719 -7.275 2.055 1.00 0.00 C ATOM 134 O CYS A 9 -4.267 -8.209 2.638 1.00 0.00 O ATOM 135 CB CYS A 9 -3.077 -7.695 -0.327 1.00 0.00 C ATOM 136 SG CYS A 9 -4.886 -7.870 -0.440 1.00 0.00 S ATOM 0 H CYS A 9 -2.117 -9.573 1.092 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.889 -6.660 1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.768 -6.835 -0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.609 -8.574 -0.770 1.00 0.00 H new ATOM 141 N ASN A 10 -4.092 -6.008 2.207 1.00 0.00 N ATOM 142 CA ASN A 10 -5.192 -5.636 3.090 1.00 0.00 C ATOM 143 C ASN A 10 -6.513 -5.602 2.328 1.00 0.00 C ATOM 144 O ASN A 10 -6.560 -5.326 1.129 1.00 0.00 O ATOM 145 CB ASN A 10 -4.922 -4.272 3.727 1.00 0.00 C ATOM 146 CG ASN A 10 -4.158 -4.384 5.032 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.388 -5.300 5.822 1.00 0.00 O ATOM 148 ND2 ASN A 10 -3.243 -3.450 5.264 1.00 0.00 N ATOM 0 H ASN A 10 -3.649 -5.222 1.731 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.266 -6.388 3.875 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.356 -3.654 3.030 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.870 -3.764 3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.697 -3.474 6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.086 -2.709 4.581 1.00 0.00 H new ATOM 155 N PRO A 11 -7.614 -5.888 3.039 1.00 0.00 N ATOM 156 CA PRO A 11 -8.957 -5.896 2.450 1.00 0.00 C ATOM 157 C PRO A 11 -9.438 -4.495 2.086 1.00 0.00 C ATOM 158 O PRO A 11 -10.001 -4.282 1.013 1.00 0.00 O ATOM 159 CB PRO A 11 -9.827 -6.488 3.561 1.00 0.00 C ATOM 160 CG PRO A 11 -9.094 -6.181 4.821 1.00 0.00 C ATOM 161 CD PRO A 11 -7.632 -6.227 4.472 1.00 0.00 C ATOM 0 HA PRO A 11 -8.990 -6.459 1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.822 -6.043 3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.958 -7.562 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.373 -5.200 5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.333 -6.907 5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.055 -5.514 5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.205 -7.213 4.657 1.00 0.00 H new ATOM 169 N SER A 12 -9.211 -3.544 2.986 1.00 0.00 N ATOM 170 CA SER A 12 -9.624 -2.164 2.760 1.00 0.00 C ATOM 171 C SER A 12 -8.443 -1.310 2.309 1.00 0.00 C ATOM 172 O SER A 12 -8.536 -0.570 1.331 1.00 0.00 O ATOM 173 CB SER A 12 -10.235 -1.578 4.034 1.00 0.00 C ATOM 174 OG SER A 12 -10.753 -0.279 3.801 1.00 0.00 O ATOM 0 H SER A 12 -8.743 -3.704 3.878 1.00 0.00 H new ATOM 0 HA SER A 12 -10.375 -2.160 1.970 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.030 -2.231 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.479 -1.536 4.818 1.00 0.00 H new ATOM 0 HG SER A 12 -11.139 0.073 4.630 1.00 0.00 H new ATOM 180 N ASN A 13 -7.333 -1.419 3.031 1.00 0.00 N ATOM 181 CA ASN A 13 -6.132 -0.656 2.707 1.00 0.00 C ATOM 182 C ASN A 13 -5.559 -1.091 1.361 1.00 0.00 C ATOM 183 O ASN A 13 -4.758 -2.023 1.288 1.00 0.00 O ATOM 184 CB ASN A 13 -5.080 -0.832 3.803 1.00 0.00 C ATOM 185 CG ASN A 13 -5.110 0.293 4.820 1.00 0.00 C ATOM 186 OD1 ASN A 13 -5.964 1.178 4.757 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.176 0.262 5.763 1.00 0.00 N ATOM 0 H ASN A 13 -7.239 -2.028 3.844 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.406 0.397 2.642 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.244 -1.782 4.311 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.090 -0.881 3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.146 0.992 6.475 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.489 -0.491 5.775 1.00 0.00 H new ATOM 194 N ASP A 14 -5.975 -0.408 0.300 1.00 0.00 N ATOM 195 CA ASP A 14 -5.502 -0.722 -1.044 1.00 0.00 C ATOM 196 C ASP A 14 -3.977 -0.708 -1.100 1.00 0.00 C ATOM 197 O ASP A 14 -3.356 0.354 -1.061 1.00 0.00 O ATOM 198 CB ASP A 14 -6.071 0.275 -2.054 1.00 0.00 C ATOM 199 CG ASP A 14 -5.843 1.715 -1.638 1.00 0.00 C ATOM 200 OD1 ASP A 14 -6.485 2.159 -0.663 1.00 0.00 O ATOM 201 OD2 ASP A 14 -5.023 2.398 -2.287 1.00 0.00 O ATOM 0 H ASP A 14 -6.638 0.366 0.344 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.848 -1.723 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.611 0.104 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.140 0.099 -2.171 1.00 0.00 H new ATOM 206 N GLN A 15 -3.382 -1.893 -1.192 1.00 0.00 N ATOM 207 CA GLN A 15 -1.931 -2.016 -1.251 1.00 0.00 C ATOM 208 C GLN A 15 -1.459 -2.199 -2.690 1.00 0.00 C ATOM 209 O GLN A 15 -0.768 -1.342 -3.242 1.00 0.00 O ATOM 210 CB GLN A 15 -1.462 -3.193 -0.395 1.00 0.00 C ATOM 211 CG GLN A 15 -1.504 -2.913 1.099 1.00 0.00 C ATOM 212 CD GLN A 15 -0.468 -3.706 1.871 1.00 0.00 C ATOM 213 OE1 GLN A 15 0.688 -3.295 1.983 1.00 0.00 O ATOM 214 NE2 GLN A 15 -0.876 -4.850 2.408 1.00 0.00 N ATOM 0 H GLN A 15 -3.883 -2.781 -1.227 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.497 -1.096 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.086 -4.060 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.443 -3.455 -0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.343 -1.849 1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.497 -3.150 1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.843 -5.152 2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.222 -5.426 2.938 1.00 0.00 H new ATOM 223 N CYS A 16 -1.836 -3.322 -3.293 1.00 0.00 N ATOM 224 CA CYS A 16 -1.451 -3.618 -4.667 1.00 0.00 C ATOM 225 C CYS A 16 -1.522 -2.365 -5.535 1.00 0.00 C ATOM 226 O CYS A 16 -2.364 -1.493 -5.318 1.00 0.00 O ATOM 227 CB CYS A 16 -2.356 -4.706 -5.249 1.00 0.00 C ATOM 228 SG CYS A 16 -2.768 -6.037 -4.074 1.00 0.00 S ATOM 0 H CYS A 16 -2.408 -4.042 -2.851 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.421 -3.976 -4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.280 -4.246 -5.599 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.867 -5.143 -6.120 1.00 0.00 H new ATOM 233 N CYS A 17 -0.632 -2.282 -6.518 1.00 0.00 N ATOM 234 CA CYS A 17 -0.592 -1.137 -7.419 1.00 0.00 C ATOM 235 C CYS A 17 -1.858 -1.069 -8.269 1.00 0.00 C ATOM 236 O CYS A 17 -2.782 -1.862 -8.091 1.00 0.00 O ATOM 237 CB CYS A 17 0.639 -1.215 -8.324 1.00 0.00 C ATOM 238 SG CYS A 17 1.970 -0.056 -7.871 1.00 0.00 S ATOM 0 H CYS A 17 0.072 -2.995 -6.711 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.532 -0.233 -6.813 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.032 -2.231 -8.298 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.334 -1.018 -9.352 1.00 0.00 H new ATOM 243 N LYS A 18 -1.892 -0.116 -9.195 1.00 0.00 N ATOM 244 CA LYS A 18 -3.042 0.056 -10.075 1.00 0.00 C ATOM 245 C LYS A 18 -2.879 -0.766 -11.350 1.00 0.00 C ATOM 246 O LYS A 18 -3.363 -1.894 -11.438 1.00 0.00 O ATOM 247 CB LYS A 18 -3.223 1.534 -10.428 1.00 0.00 C ATOM 248 CG LYS A 18 -4.163 2.272 -9.490 1.00 0.00 C ATOM 249 CD LYS A 18 -3.529 2.497 -8.128 1.00 0.00 C ATOM 250 CE LYS A 18 -2.561 3.670 -8.151 1.00 0.00 C ATOM 251 NZ LYS A 18 -1.168 3.235 -8.446 1.00 0.00 N ATOM 0 H LYS A 18 -1.136 0.549 -9.355 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.928 -0.296 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.250 2.024 -10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.604 1.612 -11.446 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.436 3.232 -9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.084 1.701 -9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.308 2.681 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.002 1.595 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.883 4.391 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.586 4.180 -7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.505 3.758 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.076 2.216 -8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.948 3.427 -9.444 1.00 0.00 H new ATOM 265 N SER A 19 -2.193 -0.193 -12.334 1.00 0.00 N ATOM 266 CA SER A 19 -1.969 -0.872 -13.605 1.00 0.00 C ATOM 267 C SER A 19 -1.258 -2.205 -13.391 1.00 0.00 C ATOM 268 O SER A 19 -1.307 -3.091 -14.244 1.00 0.00 O ATOM 269 CB SER A 19 -1.145 0.013 -14.542 1.00 0.00 C ATOM 270 OG SER A 19 -1.794 1.252 -14.775 1.00 0.00 O ATOM 0 H SER A 19 -1.783 0.739 -12.276 1.00 0.00 H new ATOM 0 HA SER A 19 -2.940 -1.067 -14.061 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.161 0.190 -14.108 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.988 -0.503 -15.489 1.00 0.00 H new ATOM 0 HG SER A 19 -1.247 1.800 -15.375 1.00 0.00 H new ATOM 276 N SER A 20 -0.598 -2.339 -12.245 1.00 0.00 N ATOM 277 CA SER A 20 0.127 -3.561 -11.919 1.00 0.00 C ATOM 278 C SER A 20 -0.788 -4.778 -12.014 1.00 0.00 C ATOM 279 O SER A 20 -1.996 -4.680 -11.793 1.00 0.00 O ATOM 280 CB SER A 20 0.723 -3.466 -10.513 1.00 0.00 C ATOM 281 OG SER A 20 -0.287 -3.565 -9.524 1.00 0.00 O ATOM 0 H SER A 20 -0.551 -1.616 -11.527 1.00 0.00 H new ATOM 0 HA SER A 20 0.935 -3.678 -12.642 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.455 -4.261 -10.370 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.253 -2.520 -10.402 1.00 0.00 H new ATOM 0 HG SER A 20 -1.127 -3.202 -9.876 1.00 0.00 H new ATOM 287 N LYS A 21 -0.205 -5.924 -12.347 1.00 0.00 N ATOM 288 CA LYS A 21 -0.966 -7.162 -12.471 1.00 0.00 C ATOM 289 C LYS A 21 -1.085 -7.866 -11.123 1.00 0.00 C ATOM 290 O LYS A 21 -2.006 -8.653 -10.902 1.00 0.00 O ATOM 291 CB LYS A 21 -0.301 -8.094 -13.487 1.00 0.00 C ATOM 292 CG LYS A 21 0.041 -7.415 -14.802 1.00 0.00 C ATOM 293 CD LYS A 21 0.631 -8.397 -15.800 1.00 0.00 C ATOM 294 CE LYS A 21 -0.455 -9.189 -16.512 1.00 0.00 C ATOM 295 NZ LYS A 21 0.110 -10.322 -17.297 1.00 0.00 N ATOM 0 H LYS A 21 0.793 -6.022 -12.536 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.968 -6.909 -12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.611 -8.502 -13.051 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.965 -8.936 -13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.857 -6.962 -15.223 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.751 -6.608 -14.622 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.229 -7.856 -16.534 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.303 -9.082 -15.284 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.164 -9.573 -15.779 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.010 -8.528 -17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.661 -10.837 -17.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.768 -9.954 -18.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.618 -10.967 -16.659 1.00 0.00 H new ATOM 309 N LEU A 22 -0.151 -7.575 -10.225 1.00 0.00 N ATOM 310 CA LEU A 22 -0.152 -8.179 -8.897 1.00 0.00 C ATOM 311 C LEU A 22 -1.571 -8.277 -8.345 1.00 0.00 C ATOM 312 O LEU A 22 -2.174 -7.270 -7.971 1.00 0.00 O ATOM 313 CB LEU A 22 0.723 -7.363 -7.943 1.00 0.00 C ATOM 314 CG LEU A 22 1.200 -6.008 -8.464 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.380 -5.027 -7.316 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.499 -6.163 -9.243 1.00 0.00 C ATOM 0 H LEU A 22 0.617 -6.925 -10.392 1.00 0.00 H new ATOM 0 HA LEU A 22 0.256 -9.186 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.166 -7.199 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.598 -7.959 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 22 0.440 -5.612 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.720 -4.068 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.429 -4.892 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.120 -5.417 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.824 -5.188 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.266 -6.581 -8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.338 -6.831 -10.089 1.00 0.00 H new ATOM 328 N VAL A 23 -2.098 -9.496 -8.294 1.00 0.00 N ATOM 329 CA VAL A 23 -3.445 -9.726 -7.785 1.00 0.00 C ATOM 330 C VAL A 23 -3.408 -10.256 -6.356 1.00 0.00 C ATOM 331 O VAL A 23 -2.484 -10.973 -5.971 1.00 0.00 O ATOM 332 CB VAL A 23 -4.217 -10.722 -8.670 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.506 -12.066 -8.708 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.646 -10.880 -8.172 1.00 0.00 C ATOM 0 H VAL A 23 -1.613 -10.340 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.958 -8.765 -7.801 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.251 -10.328 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.067 -12.756 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.503 -11.936 -9.115 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.438 -12.470 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.177 -11.587 -8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.635 -11.252 -7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.151 -9.914 -8.203 1.00 0.00 H new ATOM 344 N CYS A 24 -4.420 -9.898 -5.572 1.00 0.00 N ATOM 345 CA CYS A 24 -4.505 -10.337 -4.184 1.00 0.00 C ATOM 346 C CYS A 24 -5.780 -11.141 -3.945 1.00 0.00 C ATOM 347 O CYS A 24 -5.812 -12.037 -3.102 1.00 0.00 O ATOM 348 CB CYS A 24 -4.466 -9.131 -3.243 1.00 0.00 C ATOM 349 SG CYS A 24 -5.306 -9.404 -1.650 1.00 0.00 S ATOM 0 H CYS A 24 -5.193 -9.305 -5.875 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.648 -10.978 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.426 -8.866 -3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.926 -8.279 -3.743 1.00 0.00 H new ATOM 354 N SER A 25 -6.828 -10.815 -4.695 1.00 0.00 N ATOM 355 CA SER A 25 -8.107 -11.504 -4.562 1.00 0.00 C ATOM 356 C SER A 25 -8.030 -12.908 -5.154 1.00 0.00 C ATOM 357 O SER A 25 -8.287 -13.897 -4.467 1.00 0.00 O ATOM 358 CB SER A 25 -9.214 -10.706 -5.254 1.00 0.00 C ATOM 359 OG SER A 25 -10.362 -11.509 -5.469 1.00 0.00 O ATOM 0 H SER A 25 -6.817 -10.079 -5.401 1.00 0.00 H new ATOM 0 HA SER A 25 -8.339 -11.588 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.479 -9.842 -4.645 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.850 -10.324 -6.208 1.00 0.00 H new ATOM 0 HG SER A 25 -11.056 -10.976 -5.911 1.00 0.00 H new ATOM 365 N ARG A 26 -7.676 -12.986 -6.432 1.00 0.00 N ATOM 366 CA ARG A 26 -7.567 -14.268 -7.118 1.00 0.00 C ATOM 367 C ARG A 26 -6.767 -15.265 -6.284 1.00 0.00 C ATOM 368 O ARG A 26 -7.242 -16.359 -5.979 1.00 0.00 O ATOM 369 CB ARG A 26 -6.907 -14.085 -8.485 1.00 0.00 C ATOM 370 CG ARG A 26 -7.829 -13.479 -9.531 1.00 0.00 C ATOM 371 CD ARG A 26 -7.306 -13.716 -10.939 1.00 0.00 C ATOM 372 NE ARG A 26 -8.360 -13.591 -11.942 1.00 0.00 N ATOM 373 CZ ARG A 26 -8.124 -13.427 -13.239 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.878 -13.369 -13.688 1.00 0.00 N ATOM 375 NH2 ARG A 26 -9.137 -13.322 -14.090 1.00 0.00 N ATOM 0 H ARG A 26 -7.460 -12.177 -7.014 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.573 -14.663 -7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.030 -13.447 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.554 -15.053 -8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.825 -13.911 -9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.928 -12.408 -9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.512 -13.001 -11.156 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.864 -14.711 -10.999 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.330 -13.632 -11.630 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.097 -13.450 -13.037 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.700 -13.243 -14.684 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.097 -13.367 -13.748 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.956 -13.196 -15.086 1.00 0.00 H new ATOM 389 N LYS A 27 -5.549 -14.879 -5.918 1.00 0.00 N ATOM 390 CA LYS A 27 -4.682 -15.736 -5.119 1.00 0.00 C ATOM 391 C LYS A 27 -4.899 -15.492 -3.629 1.00 0.00 C ATOM 392 O LYS A 27 -5.855 -14.825 -3.231 1.00 0.00 O ATOM 393 CB LYS A 27 -3.215 -15.489 -5.478 1.00 0.00 C ATOM 394 CG LYS A 27 -2.416 -16.764 -5.685 1.00 0.00 C ATOM 395 CD LYS A 27 -2.339 -17.141 -7.155 1.00 0.00 C ATOM 396 CE LYS A 27 -1.512 -18.401 -7.365 1.00 0.00 C ATOM 397 NZ LYS A 27 -1.726 -18.986 -8.717 1.00 0.00 N ATOM 0 H LYS A 27 -5.140 -13.977 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.935 -16.773 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.168 -14.889 -6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.749 -14.903 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.409 -16.632 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.875 -17.578 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.345 -17.296 -7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.901 -16.318 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.455 -18.168 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.773 -19.138 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.145 -19.842 -8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.730 -19.232 -8.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.453 -18.293 -9.442 1.00 0.00 H new ATOM 411 N THR A 28 -4.006 -16.037 -2.809 1.00 0.00 N ATOM 412 CA THR A 28 -4.100 -15.878 -1.363 1.00 0.00 C ATOM 413 C THR A 28 -4.201 -14.407 -0.976 1.00 0.00 C ATOM 414 O THR A 28 -4.124 -13.524 -1.831 1.00 0.00 O ATOM 415 CB THR A 28 -2.887 -16.503 -0.649 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.205 -17.398 -1.535 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.321 -17.252 0.602 1.00 0.00 C ATOM 0 H THR A 28 -3.210 -16.592 -3.121 1.00 0.00 H new ATOM 0 HA THR A 28 -5.005 -16.396 -1.047 1.00 0.00 H new ATOM 0 HB THR A 28 -2.212 -15.699 -0.355 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.434 -17.790 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.447 -17.685 1.089 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.813 -16.562 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.014 -18.047 0.328 1.00 0.00 H new ATOM 425 N ARG A 29 -4.374 -14.150 0.316 1.00 0.00 N ATOM 426 CA ARG A 29 -4.485 -12.785 0.816 1.00 0.00 C ATOM 427 C ARG A 29 -3.306 -11.937 0.348 1.00 0.00 C ATOM 428 O ARG A 29 -3.376 -10.709 0.342 1.00 0.00 O ATOM 429 CB ARG A 29 -4.555 -12.783 2.344 1.00 0.00 C ATOM 430 CG ARG A 29 -5.569 -13.765 2.909 1.00 0.00 C ATOM 431 CD ARG A 29 -6.938 -13.579 2.274 1.00 0.00 C ATOM 432 NE ARG A 29 -7.133 -14.462 1.127 1.00 0.00 N ATOM 433 CZ ARG A 29 -7.251 -15.781 1.226 1.00 0.00 C ATOM 434 NH1 ARG A 29 -7.194 -16.367 2.414 1.00 0.00 N ATOM 435 NH2 ARG A 29 -7.427 -16.517 0.136 1.00 0.00 N ATOM 0 H ARG A 29 -4.440 -14.869 1.036 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.402 -12.352 0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.570 -13.021 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.805 -11.779 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.223 -14.785 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.646 -13.630 3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.712 -13.773 3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.053 -12.542 1.957 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.181 -14.042 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.059 -15.805 3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.285 -17.380 2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.472 -16.070 -0.780 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.517 -17.530 0.214 1.00 0.00 H new ATOM 449 N ALA A 30 -2.223 -12.602 -0.041 1.00 0.00 N ATOM 450 CA ALA A 30 -1.030 -11.910 -0.511 1.00 0.00 C ATOM 451 C ALA A 30 -1.187 -11.468 -1.963 1.00 0.00 C ATOM 452 O ALA A 30 -1.850 -12.135 -2.757 1.00 0.00 O ATOM 453 CB ALA A 30 0.193 -12.803 -0.359 1.00 0.00 C ATOM 0 H ALA A 30 -2.148 -13.619 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.894 -11.018 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.077 -12.273 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.324 -13.065 0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.055 -13.712 -0.945 1.00 0.00 H new ATOM 459 N CYS A 31 -0.573 -10.340 -2.302 1.00 0.00 N ATOM 460 CA CYS A 31 -0.645 -9.808 -3.658 1.00 0.00 C ATOM 461 C CYS A 31 0.620 -10.143 -4.442 1.00 0.00 C ATOM 462 O CYS A 31 1.722 -9.739 -4.067 1.00 0.00 O ATOM 463 CB CYS A 31 -0.850 -8.292 -3.623 1.00 0.00 C ATOM 464 SG CYS A 31 -1.966 -7.663 -4.918 1.00 0.00 S ATOM 0 H CYS A 31 -0.020 -9.776 -1.657 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.495 -10.272 -4.159 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.248 -8.012 -2.648 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.119 -7.803 -3.724 1.00 0.00 H new ATOM 469 N LYS A 32 0.455 -10.884 -5.532 1.00 0.00 N ATOM 470 CA LYS A 32 1.582 -11.273 -6.372 1.00 0.00 C ATOM 471 C LYS A 32 1.195 -11.251 -7.847 1.00 0.00 C ATOM 472 O LYS A 32 0.040 -11.492 -8.199 1.00 0.00 O ATOM 473 CB LYS A 32 2.076 -12.668 -5.983 1.00 0.00 C ATOM 474 CG LYS A 32 0.955 -13.662 -5.734 1.00 0.00 C ATOM 475 CD LYS A 32 1.477 -15.088 -5.675 1.00 0.00 C ATOM 476 CE LYS A 32 2.077 -15.518 -7.004 1.00 0.00 C ATOM 477 NZ LYS A 32 3.565 -15.447 -6.990 1.00 0.00 N ATOM 0 H LYS A 32 -0.449 -11.228 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 32 2.385 -10.553 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.720 -13.050 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.688 -12.590 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.453 -13.418 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.211 -13.578 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.231 -15.168 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.664 -15.763 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.764 -16.537 -7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.691 -14.881 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.908 -15.159 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.873 -14.751 -6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.955 -16.381 -6.751 1.00 0.00 H new ATOM 491 N TYR A 33 2.167 -10.962 -8.705 1.00 0.00 N ATOM 492 CA TYR A 33 1.928 -10.909 -10.142 1.00 0.00 C ATOM 493 C TYR A 33 1.572 -12.289 -10.687 1.00 0.00 C ATOM 494 O TYR A 33 2.278 -13.266 -10.439 1.00 0.00 O ATOM 495 CB TYR A 33 3.160 -10.365 -10.866 1.00 0.00 C ATOM 496 CG TYR A 33 4.367 -11.271 -10.771 1.00 0.00 C ATOM 497 CD1 TYR A 33 5.225 -11.206 -9.680 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.649 -12.192 -11.772 1.00 0.00 C ATOM 499 CE1 TYR A 33 6.329 -12.031 -9.589 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.750 -13.022 -11.689 1.00 0.00 C ATOM 501 CZ TYR A 33 6.587 -12.938 -10.596 1.00 0.00 C ATOM 502 OH TYR A 33 7.685 -13.763 -10.509 1.00 0.00 O ATOM 0 H TYR A 33 3.128 -10.761 -8.430 1.00 0.00 H new ATOM 0 HA TYR A 33 1.086 -10.240 -10.319 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.915 -10.210 -11.917 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.414 -9.390 -10.450 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.025 -10.498 -8.889 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.996 -12.260 -12.630 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.986 -11.966 -8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.954 -13.733 -12.476 1.00 0.00 H new ATOM 0 HH TYR A 33 7.722 -14.343 -11.298 1.00 0.00 H new ATOM 512 N GLN A 34 0.472 -12.359 -11.430 1.00 0.00 N ATOM 513 CA GLN A 34 0.021 -13.618 -12.010 1.00 0.00 C ATOM 514 C GLN A 34 1.065 -14.179 -12.970 1.00 0.00 C ATOM 515 O GLN A 34 2.038 -13.504 -13.309 1.00 0.00 O ATOM 516 CB GLN A 34 -1.307 -13.420 -12.742 1.00 0.00 C ATOM 517 CG GLN A 34 -1.192 -12.563 -13.992 1.00 0.00 C ATOM 518 CD GLN A 34 -2.520 -12.382 -14.700 1.00 0.00 C ATOM 519 OE1 GLN A 34 -3.004 -11.261 -14.859 1.00 0.00 O ATOM 520 NE2 GLN A 34 -3.117 -13.487 -15.130 1.00 0.00 N ATOM 0 H GLN A 34 -0.123 -11.559 -11.644 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.122 -14.332 -11.199 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.710 -14.395 -13.016 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.022 -12.960 -12.061 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.792 -11.585 -13.722 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.479 -13.021 -14.677 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.680 -14.396 -14.977 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.013 -13.427 -15.614 1.00 0.00 H new ATOM 529 N ILE A 35 0.858 -15.418 -13.404 1.00 0.00 N ATOM 530 CA ILE A 35 1.781 -16.069 -14.325 1.00 0.00 C ATOM 531 C ILE A 35 1.236 -16.058 -15.749 1.00 0.00 C ATOM 532 O ILE A 35 0.111 -16.492 -15.998 1.00 0.00 O ATOM 533 CB ILE A 35 2.061 -17.525 -13.906 1.00 0.00 C ATOM 534 CG1 ILE A 35 2.442 -17.588 -12.426 1.00 0.00 C ATOM 535 CG2 ILE A 35 3.163 -18.121 -14.769 1.00 0.00 C ATOM 536 CD1 ILE A 35 3.718 -16.843 -12.098 1.00 0.00 C ATOM 0 H ILE A 35 0.059 -15.991 -13.132 1.00 0.00 H new ATOM 0 HA ILE A 35 2.712 -15.504 -14.290 1.00 0.00 H new ATOM 0 HB ILE A 35 1.154 -18.112 -14.053 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.627 -17.175 -11.831 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.554 -18.632 -12.132 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.350 -19.150 -14.461 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.855 -18.105 -15.814 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.075 -17.536 -14.650 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.927 -16.930 -11.032 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.545 -17.270 -12.666 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.603 -15.791 -12.360 1.00 0.00 H new TER 548 ILE A 35