USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 271 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot 173:sc= 1.23 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.56 K(o=-0.46,f=-3.1!) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.103 X(o=-0.46,f=-0.66) USER MOD Single : A 1 GLU N :NH3+ 129:sc= 0.0765 (180deg=-0.0315) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.325 K(o=-0.33,f=-2.7!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -32:sc= 0.11 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0157) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0801 K(o=-0.08,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.017 -0.466 -0.016 1.00 0.00 N ATOM 2 CA GLU A 1 2.007 -0.288 -1.071 1.00 0.00 C ATOM 3 C GLU A 1 2.518 -1.636 -1.571 1.00 0.00 C ATOM 4 O GLU A 1 2.026 -2.689 -1.164 1.00 0.00 O ATOM 5 CB GLU A 1 3.178 0.558 -0.566 1.00 0.00 C ATOM 6 CG GLU A 1 3.860 -0.020 0.662 1.00 0.00 C ATOM 7 CD GLU A 1 5.278 0.489 0.836 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.063 0.401 -0.131 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.602 0.976 1.939 1.00 0.00 O ATOM 0 H1 GLU A 1 1.274 0.120 0.804 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.081 -0.179 -0.367 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.989 -1.466 0.268 1.00 0.00 H new ATOM 0 HA GLU A 1 1.526 0.230 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.912 0.661 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.818 1.560 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.277 0.230 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.875 -1.107 0.587 1.00 0.00 H new ATOM 16 N CYS A 2 3.508 -1.596 -2.457 1.00 0.00 N ATOM 17 CA CYS A 2 4.086 -2.813 -3.015 1.00 0.00 C ATOM 18 C CYS A 2 5.409 -2.515 -3.714 1.00 0.00 C ATOM 19 O CYS A 2 5.883 -1.378 -3.712 1.00 0.00 O ATOM 20 CB CYS A 2 3.110 -3.461 -3.999 1.00 0.00 C ATOM 21 SG CYS A 2 2.375 -2.297 -5.192 1.00 0.00 S ATOM 0 H CYS A 2 3.927 -0.733 -2.804 1.00 0.00 H new ATOM 0 HA CYS A 2 4.277 -3.505 -2.195 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.631 -4.246 -4.547 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.310 -3.942 -3.437 1.00 0.00 H new ATOM 26 N LEU A 3 5.999 -3.544 -4.312 1.00 0.00 N ATOM 27 CA LEU A 3 7.268 -3.394 -5.017 1.00 0.00 C ATOM 28 C LEU A 3 7.050 -2.824 -6.415 1.00 0.00 C ATOM 29 O LEU A 3 5.914 -2.646 -6.853 1.00 0.00 O ATOM 30 CB LEU A 3 7.985 -4.742 -5.109 1.00 0.00 C ATOM 31 CG LEU A 3 8.869 -5.115 -3.919 1.00 0.00 C ATOM 32 CD1 LEU A 3 8.281 -4.569 -2.626 1.00 0.00 C ATOM 33 CD2 LEU A 3 9.040 -6.624 -3.833 1.00 0.00 C ATOM 0 H LEU A 3 5.620 -4.491 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 3 7.889 -2.697 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.234 -5.522 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.601 -4.742 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 3 9.851 -4.666 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.923 -4.844 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.211 -3.483 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.287 -4.988 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.672 -6.871 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.064 -7.094 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.506 -6.990 -4.748 1.00 0.00 H new ATOM 45 N GLU A 4 8.148 -2.541 -7.111 1.00 0.00 N ATOM 46 CA GLU A 4 8.075 -1.993 -8.460 1.00 0.00 C ATOM 47 C GLU A 4 8.766 -2.916 -9.460 1.00 0.00 C ATOM 48 O GLU A 4 9.165 -4.030 -9.119 1.00 0.00 O ATOM 49 CB GLU A 4 8.716 -0.604 -8.505 1.00 0.00 C ATOM 50 CG GLU A 4 7.919 0.408 -9.311 1.00 0.00 C ATOM 51 CD GLU A 4 8.802 1.428 -10.003 1.00 0.00 C ATOM 52 OE1 GLU A 4 9.323 2.328 -9.311 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.972 1.327 -11.236 1.00 0.00 O ATOM 0 H GLU A 4 9.096 -2.682 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 4 7.023 -1.910 -8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.833 -0.234 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.716 -0.688 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.322 -0.116 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.222 0.925 -8.651 1.00 0.00 H new ATOM 60 N ILE A 5 8.902 -2.444 -10.695 1.00 0.00 N ATOM 61 CA ILE A 5 9.544 -3.226 -11.744 1.00 0.00 C ATOM 62 C ILE A 5 11.056 -3.271 -11.549 1.00 0.00 C ATOM 63 O ILE A 5 11.671 -2.281 -11.150 1.00 0.00 O ATOM 64 CB ILE A 5 9.234 -2.656 -13.141 1.00 0.00 C ATOM 65 CG1 ILE A 5 7.834 -3.079 -13.589 1.00 0.00 C ATOM 66 CG2 ILE A 5 10.280 -3.118 -14.145 1.00 0.00 C ATOM 67 CD1 ILE A 5 7.703 -4.565 -13.839 1.00 0.00 C ATOM 0 H ILE A 5 8.576 -1.525 -10.993 1.00 0.00 H new ATOM 0 HA ILE A 5 9.141 -4.237 -11.676 1.00 0.00 H new ATOM 0 HB ILE A 5 9.265 -1.568 -13.089 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.113 -2.782 -12.828 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.575 -2.541 -14.501 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.048 -2.707 -15.128 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.264 -2.771 -13.830 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.278 -4.207 -14.197 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.684 -4.793 -14.153 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.400 -4.865 -14.621 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.930 -5.110 -12.922 1.00 0.00 H new ATOM 79 N PHE A 6 11.651 -4.424 -11.836 1.00 0.00 N ATOM 80 CA PHE A 6 13.091 -4.598 -11.694 1.00 0.00 C ATOM 81 C PHE A 6 13.495 -4.606 -10.223 1.00 0.00 C ATOM 82 O PHE A 6 14.650 -4.346 -9.882 1.00 0.00 O ATOM 83 CB PHE A 6 13.836 -3.483 -12.432 1.00 0.00 C ATOM 84 CG PHE A 6 15.237 -3.857 -12.825 1.00 0.00 C ATOM 85 CD1 PHE A 6 15.474 -4.956 -13.635 1.00 0.00 C ATOM 86 CD2 PHE A 6 16.317 -3.109 -12.384 1.00 0.00 C ATOM 87 CE1 PHE A 6 16.762 -5.302 -13.998 1.00 0.00 C ATOM 88 CE2 PHE A 6 17.607 -3.450 -12.744 1.00 0.00 C ATOM 89 CZ PHE A 6 17.830 -4.549 -13.552 1.00 0.00 C ATOM 0 H PHE A 6 11.157 -5.252 -12.169 1.00 0.00 H new ATOM 0 HA PHE A 6 13.361 -5.559 -12.133 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.276 -3.213 -13.327 1.00 0.00 H new ATOM 0 HB3 PHE A 6 13.869 -2.597 -11.798 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.643 -5.549 -13.987 1.00 0.00 H new ATOM 0 HD2 PHE A 6 16.149 -2.250 -11.752 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.933 -6.161 -14.630 1.00 0.00 H new ATOM 0 HE2 PHE A 6 18.440 -2.858 -12.394 1.00 0.00 H new ATOM 0 HZ PHE A 6 18.837 -4.818 -13.834 1.00 0.00 H new ATOM 99 N LYS A 7 12.536 -4.907 -9.354 1.00 0.00 N ATOM 100 CA LYS A 7 12.789 -4.951 -7.919 1.00 0.00 C ATOM 101 C LYS A 7 12.981 -6.388 -7.444 1.00 0.00 C ATOM 102 O LYS A 7 12.128 -7.246 -7.672 1.00 0.00 O ATOM 103 CB LYS A 7 11.633 -4.300 -7.156 1.00 0.00 C ATOM 104 CG LYS A 7 12.078 -3.503 -5.942 1.00 0.00 C ATOM 105 CD LYS A 7 12.501 -4.413 -4.801 1.00 0.00 C ATOM 106 CE LYS A 7 14.014 -4.456 -4.653 1.00 0.00 C ATOM 107 NZ LYS A 7 14.507 -3.430 -3.693 1.00 0.00 N ATOM 0 H LYS A 7 11.575 -5.124 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 7 13.706 -4.396 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.087 -3.642 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.937 -5.076 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.909 -2.853 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.264 -2.858 -5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.053 -4.064 -3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.123 -5.420 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.318 -5.446 -4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.479 -4.296 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.543 -3.492 -3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.240 -2.483 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.084 -3.598 -2.758 1.00 0.00 H new ATOM 121 N ALA A 8 14.104 -6.643 -6.781 1.00 0.00 N ATOM 122 CA ALA A 8 14.404 -7.975 -6.271 1.00 0.00 C ATOM 123 C ALA A 8 13.207 -8.563 -5.532 1.00 0.00 C ATOM 124 O ALA A 8 12.904 -8.168 -4.406 1.00 0.00 O ATOM 125 CB ALA A 8 15.620 -7.928 -5.357 1.00 0.00 C ATOM 0 H ALA A 8 14.821 -5.945 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 8 14.626 -8.621 -7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.833 -8.929 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.480 -7.558 -5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.419 -7.262 -4.518 1.00 0.00 H new ATOM 131 N CYS A 9 12.529 -9.509 -6.173 1.00 0.00 N ATOM 132 CA CYS A 9 11.363 -10.151 -5.577 1.00 0.00 C ATOM 133 C CYS A 9 11.751 -11.464 -4.903 1.00 0.00 C ATOM 134 O CYS A 9 12.689 -12.138 -5.327 1.00 0.00 O ATOM 135 CB CYS A 9 10.296 -10.408 -6.643 1.00 0.00 C ATOM 136 SG CYS A 9 10.850 -11.480 -8.008 1.00 0.00 S ATOM 0 H CYS A 9 12.767 -9.848 -7.105 1.00 0.00 H new ATOM 0 HA CYS A 9 10.957 -9.480 -4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.426 -10.862 -6.169 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.972 -9.452 -7.055 1.00 0.00 H new ATOM 141 N ASN A 10 11.020 -11.822 -3.852 1.00 0.00 N ATOM 142 CA ASN A 10 11.287 -13.054 -3.119 1.00 0.00 C ATOM 143 C ASN A 10 9.998 -13.832 -2.874 1.00 0.00 C ATOM 144 O ASN A 10 8.899 -13.276 -2.876 1.00 0.00 O ATOM 145 CB ASN A 10 11.968 -12.741 -1.785 1.00 0.00 C ATOM 146 CG ASN A 10 12.758 -11.447 -1.829 1.00 0.00 C ATOM 147 OD1 ASN A 10 12.192 -10.358 -1.731 1.00 0.00 O ATOM 148 ND2 ASN A 10 14.073 -11.561 -1.977 1.00 0.00 N ATOM 0 H ASN A 10 10.238 -11.276 -3.489 1.00 0.00 H new ATOM 0 HA ASN A 10 11.953 -13.670 -3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.213 -12.676 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.634 -13.562 -1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.656 -10.725 -2.013 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.499 -12.484 -2.054 1.00 0.00 H new ATOM 155 N PRO A 11 10.133 -15.148 -2.657 1.00 0.00 N ATOM 156 CA PRO A 11 8.990 -16.031 -2.405 1.00 0.00 C ATOM 157 C PRO A 11 8.347 -15.773 -1.046 1.00 0.00 C ATOM 158 O PRO A 11 7.123 -15.785 -0.916 1.00 0.00 O ATOM 159 CB PRO A 11 9.606 -17.431 -2.449 1.00 0.00 C ATOM 160 CG PRO A 11 11.038 -17.226 -2.092 1.00 0.00 C ATOM 161 CD PRO A 11 11.412 -15.877 -2.640 1.00 0.00 C ATOM 0 HA PRO A 11 8.191 -15.880 -3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.115 -18.102 -1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.505 -17.877 -3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.180 -17.261 -1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.663 -18.009 -2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.150 -15.379 -2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.843 -15.954 -3.638 1.00 0.00 H new ATOM 169 N SER A 12 9.180 -15.541 -0.037 1.00 0.00 N ATOM 170 CA SER A 12 8.693 -15.284 1.313 1.00 0.00 C ATOM 171 C SER A 12 8.342 -13.810 1.492 1.00 0.00 C ATOM 172 O SER A 12 7.690 -13.430 2.464 1.00 0.00 O ATOM 173 CB SER A 12 9.744 -15.699 2.345 1.00 0.00 C ATOM 174 OG SER A 12 10.702 -16.574 1.774 1.00 0.00 O ATOM 0 H SER A 12 10.196 -15.526 -0.129 1.00 0.00 H new ATOM 0 HA SER A 12 7.791 -15.876 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.244 -14.813 2.736 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.257 -16.189 3.188 1.00 0.00 H new ATOM 0 HG SER A 12 11.363 -16.823 2.453 1.00 0.00 H new ATOM 180 N ASN A 13 8.780 -12.985 0.547 1.00 0.00 N ATOM 181 CA ASN A 13 8.513 -11.552 0.600 1.00 0.00 C ATOM 182 C ASN A 13 7.680 -11.109 -0.599 1.00 0.00 C ATOM 183 O ASN A 13 8.081 -10.223 -1.354 1.00 0.00 O ATOM 184 CB ASN A 13 9.826 -10.769 0.639 1.00 0.00 C ATOM 185 CG ASN A 13 9.653 -9.379 1.221 1.00 0.00 C ATOM 186 OD1 ASN A 13 8.576 -9.024 1.701 1.00 0.00 O ATOM 187 ND2 ASN A 13 10.716 -8.584 1.180 1.00 0.00 N ATOM 0 H ASN A 13 9.321 -13.284 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 13 7.948 -11.347 1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.557 -11.320 1.231 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.229 -10.690 -0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.660 -7.637 1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.589 -8.920 0.773 1.00 0.00 H new ATOM 194 N ASP A 14 6.518 -11.731 -0.767 1.00 0.00 N ATOM 195 CA ASP A 14 5.627 -11.400 -1.873 1.00 0.00 C ATOM 196 C ASP A 14 4.956 -10.049 -1.646 1.00 0.00 C ATOM 197 O ASP A 14 3.792 -9.982 -1.254 1.00 0.00 O ATOM 198 CB ASP A 14 4.565 -12.488 -2.043 1.00 0.00 C ATOM 199 CG ASP A 14 3.792 -12.747 -0.765 1.00 0.00 C ATOM 200 OD1 ASP A 14 4.360 -13.371 0.156 1.00 0.00 O ATOM 201 OD2 ASP A 14 2.619 -12.326 -0.686 1.00 0.00 O ATOM 0 H ASP A 14 6.171 -12.467 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 14 6.225 -11.340 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.871 -12.194 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.044 -13.412 -2.368 1.00 0.00 H new ATOM 206 N GLN A 15 5.701 -8.976 -1.893 1.00 0.00 N ATOM 207 CA GLN A 15 5.178 -7.627 -1.713 1.00 0.00 C ATOM 208 C GLN A 15 4.748 -7.027 -3.048 1.00 0.00 C ATOM 209 O GLN A 15 3.905 -6.131 -3.095 1.00 0.00 O ATOM 210 CB GLN A 15 6.231 -6.733 -1.054 1.00 0.00 C ATOM 211 CG GLN A 15 6.327 -6.916 0.452 1.00 0.00 C ATOM 212 CD GLN A 15 6.945 -5.718 1.147 1.00 0.00 C ATOM 213 OE1 GLN A 15 6.343 -4.646 1.213 1.00 0.00 O ATOM 214 NE2 GLN A 15 8.153 -5.895 1.669 1.00 0.00 N ATOM 0 H GLN A 15 6.667 -9.015 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 15 4.304 -7.687 -1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.203 -6.942 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.998 -5.691 -1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.331 -7.092 0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.921 -7.804 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.615 -6.801 1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.619 -5.125 2.148 1.00 0.00 H new ATOM 223 N CYS A 16 5.334 -7.526 -4.131 1.00 0.00 N ATOM 224 CA CYS A 16 5.013 -7.040 -5.467 1.00 0.00 C ATOM 225 C CYS A 16 3.506 -7.065 -5.708 1.00 0.00 C ATOM 226 O CYS A 16 2.834 -8.051 -5.405 1.00 0.00 O ATOM 227 CB CYS A 16 5.723 -7.886 -6.525 1.00 0.00 C ATOM 228 SG CYS A 16 6.671 -6.915 -7.740 1.00 0.00 S ATOM 0 H CYS A 16 6.034 -8.267 -4.109 1.00 0.00 H new ATOM 0 HA CYS A 16 5.359 -6.009 -5.544 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.398 -8.582 -6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.981 -8.485 -7.054 1.00 0.00 H new ATOM 233 N CYS A 17 2.981 -5.974 -6.255 1.00 0.00 N ATOM 234 CA CYS A 17 1.555 -5.869 -6.537 1.00 0.00 C ATOM 235 C CYS A 17 1.132 -6.889 -7.590 1.00 0.00 C ATOM 236 O CYS A 17 1.234 -6.637 -8.791 1.00 0.00 O ATOM 237 CB CYS A 17 1.210 -4.456 -7.012 1.00 0.00 C ATOM 238 SG CYS A 17 0.630 -3.347 -5.688 1.00 0.00 S ATOM 0 H CYS A 17 3.523 -5.149 -6.512 1.00 0.00 H new ATOM 0 HA CYS A 17 1.012 -6.078 -5.615 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.091 -4.016 -7.480 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.440 -4.521 -7.781 1.00 0.00 H new ATOM 243 N LYS A 18 0.657 -8.042 -7.132 1.00 0.00 N ATOM 244 CA LYS A 18 0.217 -9.101 -8.033 1.00 0.00 C ATOM 245 C LYS A 18 -1.232 -8.886 -8.458 1.00 0.00 C ATOM 246 O LYS A 18 -1.790 -9.677 -9.219 1.00 0.00 O ATOM 247 CB LYS A 18 0.364 -10.466 -7.358 1.00 0.00 C ATOM 248 CG LYS A 18 0.600 -11.605 -8.336 1.00 0.00 C ATOM 249 CD LYS A 18 0.181 -12.941 -7.746 1.00 0.00 C ATOM 250 CE LYS A 18 -1.307 -13.191 -7.933 1.00 0.00 C ATOM 251 NZ LYS A 18 -1.644 -14.638 -7.835 1.00 0.00 N ATOM 0 H LYS A 18 0.567 -8.267 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 18 0.846 -9.072 -8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.194 -10.426 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.536 -10.675 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.041 -11.420 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.655 -11.641 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.748 -13.743 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.424 -12.963 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.866 -12.636 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.620 -12.811 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.667 -14.766 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.131 -15.165 -8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.369 -14.996 -6.898 1.00 0.00 H new ATOM 265 N SER A 19 -1.836 -7.810 -7.963 1.00 0.00 N ATOM 266 CA SER A 19 -3.221 -7.493 -8.290 1.00 0.00 C ATOM 267 C SER A 19 -3.293 -6.518 -9.462 1.00 0.00 C ATOM 268 O SER A 19 -4.370 -6.251 -9.996 1.00 0.00 O ATOM 269 CB SER A 19 -3.932 -6.897 -7.073 1.00 0.00 C ATOM 270 OG SER A 19 -5.336 -6.879 -7.260 1.00 0.00 O ATOM 0 H SER A 19 -1.388 -7.143 -7.334 1.00 0.00 H new ATOM 0 HA SER A 19 -3.721 -8.418 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.688 -7.479 -6.184 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.572 -5.883 -6.898 1.00 0.00 H new ATOM 0 HG SER A 19 -5.538 -6.751 -8.210 1.00 0.00 H new ATOM 276 N SER A 20 -2.139 -5.991 -9.857 1.00 0.00 N ATOM 277 CA SER A 20 -2.070 -5.043 -10.963 1.00 0.00 C ATOM 278 C SER A 20 -1.376 -5.667 -12.170 1.00 0.00 C ATOM 279 O SER A 20 -2.027 -6.189 -13.075 1.00 0.00 O ATOM 280 CB SER A 20 -1.328 -3.777 -10.531 1.00 0.00 C ATOM 281 OG SER A 20 -2.236 -2.759 -10.150 1.00 0.00 O ATOM 0 H SER A 20 -1.239 -6.204 -9.428 1.00 0.00 H new ATOM 0 HA SER A 20 -3.088 -4.779 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.664 -4.007 -9.698 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.701 -3.422 -11.349 1.00 0.00 H new ATOM 0 HG SER A 20 -1.737 -1.961 -9.877 1.00 0.00 H new ATOM 287 N LYS A 21 -0.048 -5.608 -12.177 1.00 0.00 N ATOM 288 CA LYS A 21 0.737 -6.167 -13.270 1.00 0.00 C ATOM 289 C LYS A 21 2.162 -6.471 -12.818 1.00 0.00 C ATOM 290 O LYS A 21 3.055 -6.677 -13.641 1.00 0.00 O ATOM 291 CB LYS A 21 0.763 -5.198 -14.455 1.00 0.00 C ATOM 292 CG LYS A 21 0.888 -3.741 -14.046 1.00 0.00 C ATOM 293 CD LYS A 21 -0.467 -3.052 -14.014 1.00 0.00 C ATOM 294 CE LYS A 21 -0.783 -2.382 -15.342 1.00 0.00 C ATOM 295 NZ LYS A 21 -2.073 -1.641 -15.296 1.00 0.00 N ATOM 0 H LYS A 21 0.507 -5.178 -11.437 1.00 0.00 H new ATOM 0 HA LYS A 21 0.266 -7.100 -13.581 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.597 -5.457 -15.107 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.149 -5.326 -15.038 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.353 -3.677 -13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.545 -3.221 -14.744 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.242 -3.782 -13.780 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.479 -2.308 -13.218 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.022 -1.694 -15.602 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.825 -3.136 -16.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.252 -1.199 -16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.845 -2.301 -15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.024 -0.905 -14.563 1.00 0.00 H new ATOM 309 N LEU A 22 2.368 -6.497 -11.506 1.00 0.00 N ATOM 310 CA LEU A 22 3.684 -6.777 -10.943 1.00 0.00 C ATOM 311 C LEU A 22 3.759 -8.207 -10.417 1.00 0.00 C ATOM 312 O LEU A 22 3.192 -8.525 -9.372 1.00 0.00 O ATOM 313 CB LEU A 22 4.000 -5.790 -9.818 1.00 0.00 C ATOM 314 CG LEU A 22 3.495 -4.361 -10.017 1.00 0.00 C ATOM 315 CD1 LEU A 22 4.087 -3.434 -8.967 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.829 -3.867 -11.417 1.00 0.00 C ATOM 0 H LEU A 22 1.640 -6.327 -10.812 1.00 0.00 H new ATOM 0 HA LEU A 22 4.423 -6.663 -11.736 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.576 -6.178 -8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.081 -5.757 -9.684 1.00 0.00 H new ATOM 0 HG LEU A 22 2.411 -4.360 -9.902 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.716 -2.421 -9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.796 -3.776 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.174 -3.439 -9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.462 -2.848 -11.541 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.909 -3.883 -11.560 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.355 -4.515 -12.154 1.00 0.00 H new ATOM 328 N VAL A 23 4.465 -9.064 -11.147 1.00 0.00 N ATOM 329 CA VAL A 23 4.617 -10.460 -10.753 1.00 0.00 C ATOM 330 C VAL A 23 6.082 -10.880 -10.775 1.00 0.00 C ATOM 331 O VAL A 23 6.800 -10.620 -11.741 1.00 0.00 O ATOM 332 CB VAL A 23 3.812 -11.395 -11.675 1.00 0.00 C ATOM 333 CG1 VAL A 23 3.879 -12.829 -11.172 1.00 0.00 C ATOM 334 CG2 VAL A 23 2.369 -10.925 -11.781 1.00 0.00 C ATOM 0 H VAL A 23 4.941 -8.816 -12.015 1.00 0.00 H new ATOM 0 HA VAL A 23 4.232 -10.546 -9.737 1.00 0.00 H new ATOM 0 HB VAL A 23 4.254 -11.364 -12.671 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.304 -13.475 -11.836 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.917 -13.160 -11.153 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.463 -12.881 -10.166 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.815 -11.597 -12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.913 -10.925 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.344 -9.916 -12.192 1.00 0.00 H new ATOM 344 N CYS A 24 6.521 -11.533 -9.704 1.00 0.00 N ATOM 345 CA CYS A 24 7.901 -11.991 -9.599 1.00 0.00 C ATOM 346 C CYS A 24 8.303 -12.796 -10.831 1.00 0.00 C ATOM 347 O CYS A 24 7.892 -13.944 -10.997 1.00 0.00 O ATOM 348 CB CYS A 24 8.084 -12.841 -8.339 1.00 0.00 C ATOM 349 SG CYS A 24 9.822 -13.191 -7.925 1.00 0.00 S ATOM 0 H CYS A 24 5.940 -11.757 -8.896 1.00 0.00 H new ATOM 0 HA CYS A 24 8.544 -11.113 -9.534 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.617 -12.329 -7.497 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.556 -13.785 -8.471 1.00 0.00 H new ATOM 354 N SER A 25 9.108 -12.184 -11.694 1.00 0.00 N ATOM 355 CA SER A 25 9.563 -12.841 -12.913 1.00 0.00 C ATOM 356 C SER A 25 10.125 -14.226 -12.607 1.00 0.00 C ATOM 357 O SER A 25 10.796 -14.426 -11.594 1.00 0.00 O ATOM 358 CB SER A 25 10.626 -11.990 -13.610 1.00 0.00 C ATOM 359 OG SER A 25 10.656 -12.251 -15.003 1.00 0.00 O ATOM 0 H SER A 25 9.458 -11.234 -11.571 1.00 0.00 H new ATOM 0 HA SER A 25 8.706 -12.954 -13.576 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.420 -10.933 -13.439 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.604 -12.198 -13.177 1.00 0.00 H new ATOM 0 HG SER A 25 11.342 -11.694 -15.426 1.00 0.00 H new ATOM 365 N ARG A 26 9.845 -15.180 -13.489 1.00 0.00 N ATOM 366 CA ARG A 26 10.320 -16.547 -13.314 1.00 0.00 C ATOM 367 C ARG A 26 11.772 -16.680 -13.766 1.00 0.00 C ATOM 368 O ARG A 26 12.617 -17.193 -13.033 1.00 0.00 O ATOM 369 CB ARG A 26 9.439 -17.521 -14.098 1.00 0.00 C ATOM 370 CG ARG A 26 9.513 -18.952 -13.591 1.00 0.00 C ATOM 371 CD ARG A 26 9.230 -19.951 -14.702 1.00 0.00 C ATOM 372 NE ARG A 26 7.875 -20.490 -14.621 1.00 0.00 N ATOM 373 CZ ARG A 26 6.814 -19.894 -15.154 1.00 0.00 C ATOM 374 NH1 ARG A 26 6.950 -18.746 -15.803 1.00 0.00 N ATOM 375 NH2 ARG A 26 5.613 -20.447 -15.038 1.00 0.00 N ATOM 0 H ARG A 26 9.291 -15.031 -14.332 1.00 0.00 H new ATOM 0 HA ARG A 26 10.264 -16.791 -12.253 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.405 -17.181 -14.051 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.734 -17.500 -15.147 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.502 -19.141 -13.174 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.794 -19.091 -12.783 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.371 -19.468 -15.669 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.949 -20.768 -14.647 1.00 0.00 H new ATOM 0 HE ARG A 26 7.736 -21.372 -14.128 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.871 -18.318 -15.894 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.133 -18.291 -16.211 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.504 -21.330 -14.539 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.799 -19.989 -15.447 1.00 0.00 H new ATOM 389 N LYS A 27 12.053 -16.214 -14.978 1.00 0.00 N ATOM 390 CA LYS A 27 13.402 -16.280 -15.529 1.00 0.00 C ATOM 391 C LYS A 27 14.374 -15.462 -14.686 1.00 0.00 C ATOM 392 O LYS A 27 15.388 -15.977 -14.213 1.00 0.00 O ATOM 393 CB LYS A 27 13.410 -15.773 -16.973 1.00 0.00 C ATOM 394 CG LYS A 27 14.687 -16.103 -17.726 1.00 0.00 C ATOM 395 CD LYS A 27 14.731 -17.567 -18.132 1.00 0.00 C ATOM 396 CE LYS A 27 16.072 -17.933 -18.751 1.00 0.00 C ATOM 397 NZ LYS A 27 17.146 -18.038 -17.726 1.00 0.00 N ATOM 0 H LYS A 27 11.365 -15.786 -15.598 1.00 0.00 H new ATOM 0 HA LYS A 27 13.724 -17.321 -15.514 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.562 -16.204 -17.505 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.268 -14.692 -16.971 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.759 -15.476 -18.614 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.549 -15.871 -17.101 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.549 -18.194 -17.259 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.932 -17.773 -18.844 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.981 -18.882 -19.280 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.348 -17.181 -19.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.018 -18.387 -18.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.321 -17.101 -17.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.850 -18.699 -16.980 1.00 0.00 H new ATOM 411 N THR A 28 14.059 -14.184 -14.500 1.00 0.00 N ATOM 412 CA THR A 28 14.905 -13.294 -13.713 1.00 0.00 C ATOM 413 C THR A 28 14.508 -13.318 -12.242 1.00 0.00 C ATOM 414 O THR A 28 13.494 -13.910 -11.872 1.00 0.00 O ATOM 415 CB THR A 28 14.830 -11.845 -14.230 1.00 0.00 C ATOM 416 OG1 THR A 28 13.490 -11.353 -14.116 1.00 0.00 O ATOM 417 CG2 THR A 28 15.284 -11.764 -15.680 1.00 0.00 C ATOM 0 H THR A 28 13.224 -13.742 -14.884 1.00 0.00 H new ATOM 0 HA THR A 28 15.928 -13.656 -13.817 1.00 0.00 H new ATOM 0 HB THR A 28 15.495 -11.231 -13.623 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.472 -10.399 -14.338 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.222 -10.731 -16.023 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.314 -12.112 -15.759 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.641 -12.391 -16.298 1.00 0.00 H new ATOM 425 N ARG A 29 15.314 -12.670 -11.406 1.00 0.00 N ATOM 426 CA ARG A 29 15.047 -12.618 -9.974 1.00 0.00 C ATOM 427 C ARG A 29 14.318 -11.329 -9.604 1.00 0.00 C ATOM 428 O ARG A 29 13.909 -11.143 -8.458 1.00 0.00 O ATOM 429 CB ARG A 29 16.354 -12.722 -9.186 1.00 0.00 C ATOM 430 CG ARG A 29 16.863 -14.146 -9.036 1.00 0.00 C ATOM 431 CD ARG A 29 17.772 -14.537 -10.192 1.00 0.00 C ATOM 432 NE ARG A 29 19.069 -13.870 -10.117 1.00 0.00 N ATOM 433 CZ ARG A 29 20.105 -14.190 -10.884 1.00 0.00 C ATOM 434 NH1 ARG A 29 19.997 -15.164 -11.778 1.00 0.00 N ATOM 435 NH2 ARG A 29 21.253 -13.537 -10.757 1.00 0.00 N ATOM 0 H ARG A 29 16.157 -12.174 -11.696 1.00 0.00 H new ATOM 0 HA ARG A 29 14.408 -13.463 -9.717 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.117 -12.123 -9.683 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.206 -12.292 -8.195 1.00 0.00 H new ATOM 0 HG2 ARG A 29 17.406 -14.242 -8.096 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.018 -14.833 -8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.919 -15.617 -10.189 1.00 0.00 H new ATOM 0 HD3 ARG A 29 17.288 -14.284 -11.135 1.00 0.00 H new ATOM 0 HE ARG A 29 19.186 -13.117 -9.439 1.00 0.00 H new ATOM 0 HH11 ARG A 29 19.117 -15.669 -11.878 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.794 -15.408 -12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 29 21.341 -12.788 -10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 29 22.048 -13.784 -11.347 1.00 0.00 H new ATOM 449 N TRP A 30 14.162 -10.443 -10.581 1.00 0.00 N ATOM 450 CA TRP A 30 13.483 -9.171 -10.357 1.00 0.00 C ATOM 451 C TRP A 30 12.049 -9.221 -10.873 1.00 0.00 C ATOM 452 O TRP A 30 11.759 -9.891 -11.865 1.00 0.00 O ATOM 453 CB TRP A 30 14.245 -8.036 -11.042 1.00 0.00 C ATOM 454 CG TRP A 30 14.552 -8.311 -12.483 1.00 0.00 C ATOM 455 CD1 TRP A 30 13.652 -8.442 -13.502 1.00 0.00 C ATOM 456 CD2 TRP A 30 15.848 -8.490 -13.064 1.00 0.00 C ATOM 457 NE1 TRP A 30 14.311 -8.692 -14.682 1.00 0.00 N ATOM 458 CE2 TRP A 30 15.659 -8.725 -14.440 1.00 0.00 C ATOM 459 CE3 TRP A 30 17.150 -8.473 -12.557 1.00 0.00 C ATOM 460 CZ2 TRP A 30 16.723 -8.942 -15.311 1.00 0.00 C ATOM 461 CZ3 TRP A 30 18.205 -8.688 -13.423 1.00 0.00 C ATOM 462 CH2 TRP A 30 17.987 -8.920 -14.788 1.00 0.00 C ATOM 0 H TRP A 30 14.496 -10.581 -11.535 1.00 0.00 H new ATOM 0 HA TRP A 30 13.456 -8.986 -9.283 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.659 -7.120 -10.971 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.178 -7.859 -10.507 1.00 0.00 H new ATOM 0 HD1 TRP A 30 12.580 -8.361 -13.396 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.868 -8.830 -15.590 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.329 -8.295 -11.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.556 -9.121 -16.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.215 -8.677 -13.041 1.00 0.00 H new ATOM 0 HH2 TRP A 30 18.833 -9.084 -15.439 1.00 0.00 H new ATOM 473 N CYS A 31 11.156 -8.509 -10.195 1.00 0.00 N ATOM 474 CA CYS A 31 9.751 -8.472 -10.585 1.00 0.00 C ATOM 475 C CYS A 31 9.595 -7.932 -12.003 1.00 0.00 C ATOM 476 O CYS A 31 10.310 -7.019 -12.414 1.00 0.00 O ATOM 477 CB CYS A 31 8.952 -7.609 -9.607 1.00 0.00 C ATOM 478 SG CYS A 31 7.342 -8.319 -9.133 1.00 0.00 S ATOM 0 H CYS A 31 11.380 -7.949 -9.372 1.00 0.00 H new ATOM 0 HA CYS A 31 9.365 -9.491 -10.559 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.547 -7.452 -8.707 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.787 -6.629 -10.055 1.00 0.00 H new ATOM 483 N ALA A 32 8.653 -8.503 -12.747 1.00 0.00 N ATOM 484 CA ALA A 32 8.400 -8.078 -14.118 1.00 0.00 C ATOM 485 C ALA A 32 6.904 -8.019 -14.408 1.00 0.00 C ATOM 486 O ALA A 32 6.081 -8.262 -13.525 1.00 0.00 O ATOM 487 CB ALA A 32 9.092 -9.015 -15.097 1.00 0.00 C ATOM 0 H ALA A 32 8.053 -9.261 -12.423 1.00 0.00 H new ATOM 0 HA ALA A 32 8.807 -7.075 -14.242 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.895 -8.686 -16.117 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.166 -9.004 -14.914 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.711 -10.027 -14.962 1.00 0.00 H new ATOM 493 N TYR A 33 6.559 -7.694 -15.649 1.00 0.00 N ATOM 494 CA TYR A 33 5.161 -7.599 -16.053 1.00 0.00 C ATOM 495 C TYR A 33 4.734 -8.841 -16.830 1.00 0.00 C ATOM 496 O TYR A 33 3.816 -8.789 -17.647 1.00 0.00 O ATOM 497 CB TYR A 33 4.939 -6.349 -16.906 1.00 0.00 C ATOM 498 CG TYR A 33 5.688 -6.371 -18.220 1.00 0.00 C ATOM 499 CD1 TYR A 33 7.005 -5.937 -18.298 1.00 0.00 C ATOM 500 CD2 TYR A 33 5.078 -6.828 -19.382 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.693 -5.954 -19.496 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.758 -6.851 -20.584 1.00 0.00 C ATOM 503 CZ TYR A 33 7.065 -6.412 -20.636 1.00 0.00 C ATOM 504 OH TYR A 33 7.747 -6.433 -21.831 1.00 0.00 O ATOM 0 H TYR A 33 7.228 -7.492 -16.392 1.00 0.00 H new ATOM 0 HA TYR A 33 4.552 -7.528 -15.152 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.873 -6.241 -17.107 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.247 -5.472 -16.337 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.500 -5.580 -17.407 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.055 -7.171 -19.345 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.716 -5.611 -19.540 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.270 -7.210 -21.478 1.00 0.00 H new ATOM 0 HH TYR A 33 7.163 -6.784 -22.535 1.00 0.00 H new ATOM 514 N GLN A 34 5.407 -9.957 -16.566 1.00 0.00 N ATOM 515 CA GLN A 34 5.097 -11.212 -17.240 1.00 0.00 C ATOM 516 C GLN A 34 4.389 -12.177 -16.294 1.00 0.00 C ATOM 517 O GLN A 34 5.033 -12.903 -15.536 1.00 0.00 O ATOM 518 CB GLN A 34 6.376 -11.855 -17.779 1.00 0.00 C ATOM 519 CG GLN A 34 7.039 -11.052 -18.887 1.00 0.00 C ATOM 520 CD GLN A 34 8.013 -11.878 -19.703 1.00 0.00 C ATOM 521 OE1 GLN A 34 8.070 -13.102 -19.572 1.00 0.00 O ATOM 522 NE2 GLN A 34 8.788 -11.213 -20.552 1.00 0.00 N ATOM 0 H GLN A 34 6.169 -10.017 -15.891 1.00 0.00 H new ATOM 0 HA GLN A 34 4.430 -10.993 -18.073 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.083 -11.981 -16.959 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.142 -12.852 -18.154 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.271 -10.647 -19.546 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.565 -10.203 -18.450 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.708 -10.199 -20.629 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.463 -11.716 -21.127 1.00 0.00 H new ATOM 531 N ILE A 35 3.061 -12.179 -16.343 1.00 0.00 N ATOM 532 CA ILE A 35 2.267 -13.055 -15.491 1.00 0.00 C ATOM 533 C ILE A 35 2.495 -14.521 -15.845 1.00 0.00 C ATOM 534 O ILE A 35 2.284 -14.935 -16.985 1.00 0.00 O ATOM 535 CB ILE A 35 0.764 -12.739 -15.605 1.00 0.00 C ATOM 536 CG1 ILE A 35 0.502 -11.271 -15.263 1.00 0.00 C ATOM 537 CG2 ILE A 35 -0.040 -13.653 -14.692 1.00 0.00 C ATOM 538 CD1 ILE A 35 -0.918 -10.830 -15.541 1.00 0.00 C ATOM 0 H ILE A 35 2.513 -11.584 -16.964 1.00 0.00 H new ATOM 0 HA ILE A 35 2.591 -12.877 -14.466 1.00 0.00 H new ATOM 0 HB ILE A 35 0.448 -12.915 -16.633 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.725 -11.107 -14.209 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.187 -10.645 -15.835 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.100 -13.418 -14.784 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.127 -14.691 -14.978 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.276 -13.506 -13.659 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.031 -9.779 -15.275 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.139 -10.962 -16.600 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.608 -11.431 -14.948 1.00 0.00 H new TER 550 ILE A 35