USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 261 hydrogens (11 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 12 ASN : amide:sc= -0.0687 K(o=-0.84,f=-1.8) USER MOD Set 1.2: A 28 MET CE :methyl -145:sc= -0.774 (180deg=-1.77) USER MOD Set 1.3: A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -148:sc= 0.00858 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.25 K(o=-1.2,f=-9.4!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.296 K(o=0.3,f=-0.32) USER MOD Single : A 11 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.9) USER MOD Single : A 19 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.5!) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 FUC O2 : rot 38:sc= 0.0129 USER MOD Single : A 39 FUC O3 : rot -96:sc= 0.0524 USER MOD Single : A 39 FUC O4 : rot 160:sc= 0.036 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -1.008 13.723 9.741 1.00 0.00 N ATOM 2 CA ASP A 1 -1.044 12.955 8.502 1.00 0.00 C ATOM 3 C ASP A 1 -1.574 11.546 8.752 1.00 0.00 C ATOM 4 O ASP A 1 -1.688 11.108 9.897 1.00 0.00 O ATOM 5 CB ASP A 1 0.353 12.887 7.879 1.00 0.00 C ATOM 6 CG ASP A 1 0.335 13.173 6.390 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.048 14.297 6.006 1.00 0.00 O ATOM 8 OD2 ASP A 1 0.703 12.271 5.609 1.00 0.00 O ATOM 0 H1 ASP A 1 -1.182 14.727 9.532 1.00 0.00 H new ATOM 0 H2 ASP A 1 -1.742 13.371 10.389 1.00 0.00 H new ATOM 0 H3 ASP A 1 -0.074 13.619 10.187 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.718 13.459 7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.005 13.605 8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.777 11.898 8.051 1.00 0.00 H new ATOM 13 N VAL A 2 -1.896 10.840 7.672 1.00 0.00 N ATOM 14 CA VAL A 2 -2.413 9.482 7.774 1.00 0.00 C ATOM 15 C VAL A 2 -1.849 8.595 6.669 1.00 0.00 C ATOM 16 O VAL A 2 -2.098 8.827 5.486 1.00 0.00 O ATOM 17 CB VAL A 2 -3.951 9.459 7.702 1.00 0.00 C ATOM 18 CG1 VAL A 2 -4.480 8.066 8.008 1.00 0.00 C ATOM 19 CG2 VAL A 2 -4.546 10.485 8.654 1.00 0.00 C ATOM 0 H VAL A 2 -1.808 11.187 6.717 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.097 9.095 8.743 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.252 9.721 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.569 8.070 7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.082 7.358 7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.169 7.771 9.010 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.634 10.454 8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.237 10.257 9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.195 11.480 8.382 1.00 0.00 H new ATOM 29 N ASN A 3 -1.090 7.578 7.063 1.00 0.00 N ATOM 30 CA ASN A 3 -0.490 6.656 6.107 1.00 0.00 C ATOM 31 C ASN A 3 -1.496 5.595 5.670 1.00 0.00 C ATOM 32 O ASN A 3 -2.661 5.631 6.065 1.00 0.00 O ATOM 33 CB ASN A 3 0.744 5.988 6.716 1.00 0.00 C ATOM 34 CG ASN A 3 0.430 5.263 8.008 1.00 0.00 C ATOM 35 OD1 ASN A 3 -0.674 4.751 8.196 1.00 0.00 O ATOM 36 ND2 ASN A 3 1.401 5.216 8.913 1.00 0.00 N ATOM 0 H ASN A 3 -0.876 7.372 8.039 1.00 0.00 H new ATOM 0 HA ASN A 3 -0.188 7.227 5.229 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.163 5.282 5.999 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.508 6.743 6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.246 4.743 9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.302 5.653 8.718 1.00 0.00 H new ATOM 43 N GLU A 4 -1.037 4.652 4.853 1.00 0.00 N ATOM 44 CA GLU A 4 -1.898 3.581 4.361 1.00 0.00 C ATOM 45 C GLU A 4 -1.769 2.329 5.227 1.00 0.00 C ATOM 46 O GLU A 4 -2.121 1.230 4.798 1.00 0.00 O ATOM 47 CB GLU A 4 -1.548 3.247 2.911 1.00 0.00 C ATOM 48 CG GLU A 4 -2.745 2.816 2.077 1.00 0.00 C ATOM 49 CD GLU A 4 -2.383 1.791 1.022 1.00 0.00 C ATOM 50 OE1 GLU A 4 -1.514 0.937 1.297 1.00 0.00 O ATOM 51 OE2 GLU A 4 -2.968 1.842 -0.080 1.00 0.00 O ATOM 0 H GLU A 4 -0.075 4.607 4.518 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.930 3.929 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.088 4.120 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.803 2.451 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.510 2.401 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.180 3.691 1.594 1.00 0.00 H new ATOM 58 N CYS A 5 -1.266 2.500 6.448 1.00 0.00 N ATOM 59 CA CYS A 5 -1.096 1.379 7.366 1.00 0.00 C ATOM 60 C CYS A 5 -2.261 1.293 8.353 1.00 0.00 C ATOM 61 O CYS A 5 -2.397 0.307 9.076 1.00 0.00 O ATOM 62 CB CYS A 5 0.229 1.508 8.120 1.00 0.00 C ATOM 63 SG CYS A 5 1.503 0.321 7.587 1.00 0.00 S ATOM 0 H CYS A 5 -0.970 3.402 6.822 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.082 0.461 6.779 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.612 2.520 7.989 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.044 1.372 9.186 1.00 0.00 H new ATOM 68 N ILE A 6 -3.100 2.326 8.375 1.00 0.00 N ATOM 69 CA ILE A 6 -4.251 2.355 9.269 1.00 0.00 C ATOM 70 C ILE A 6 -5.473 1.735 8.598 1.00 0.00 C ATOM 71 O ILE A 6 -6.354 1.193 9.264 1.00 0.00 O ATOM 72 CB ILE A 6 -4.591 3.794 9.704 1.00 0.00 C ATOM 73 CG1 ILE A 6 -3.331 4.522 10.172 1.00 0.00 C ATOM 74 CG2 ILE A 6 -5.643 3.780 10.804 1.00 0.00 C ATOM 75 CD1 ILE A 6 -2.711 3.918 11.414 1.00 0.00 C ATOM 0 H ILE A 6 -3.003 3.152 7.784 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.985 1.774 10.152 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.997 4.330 8.846 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.596 4.513 9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.576 5.566 10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.873 4.803 11.101 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.548 3.297 10.436 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.262 3.229 11.664 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.821 4.485 11.689 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.430 3.951 12.233 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.435 2.882 11.216 1.00 0.00 H new ATOM 87 N SER A 7 -5.511 1.815 7.271 1.00 0.00 N ATOM 88 CA SER A 7 -6.615 1.259 6.499 1.00 0.00 C ATOM 89 C SER A 7 -6.088 0.517 5.275 1.00 0.00 C ATOM 90 O SER A 7 -6.469 0.812 4.142 1.00 0.00 O ATOM 91 CB SER A 7 -7.575 2.371 6.068 1.00 0.00 C ATOM 92 OG SER A 7 -8.921 1.926 6.106 1.00 0.00 O ATOM 0 H SER A 7 -4.787 2.261 6.708 1.00 0.00 H new ATOM 0 HA SER A 7 -7.156 0.553 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.455 3.234 6.724 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.326 2.700 5.059 1.00 0.00 H new ATOM 0 HG SER A 7 -9.514 2.655 5.828 1.00 0.00 H new ATOM 98 N ASN A 8 -5.204 -0.448 5.515 1.00 0.00 N ATOM 99 CA ASN A 8 -4.611 -1.235 4.440 1.00 0.00 C ATOM 100 C ASN A 8 -5.683 -1.773 3.491 1.00 0.00 C ATOM 101 O ASN A 8 -6.630 -2.429 3.923 1.00 0.00 O ATOM 102 CB ASN A 8 -3.804 -2.399 5.020 1.00 0.00 C ATOM 103 CG ASN A 8 -4.609 -3.227 6.002 1.00 0.00 C ATOM 104 OD1 ASN A 8 -4.648 -2.931 7.197 1.00 0.00 O ATOM 105 ND2 ASN A 8 -5.259 -4.272 5.504 1.00 0.00 N ATOM 0 H ASN A 8 -4.882 -0.704 6.449 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.948 -0.581 3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.458 -3.038 4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.917 -2.009 5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.818 -4.865 6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.200 -4.482 4.508 1.00 0.00 H new ATOM 112 N PRO A 9 -5.549 -1.501 2.180 1.00 0.00 N ATOM 113 CA PRO A 9 -6.511 -1.965 1.177 1.00 0.00 C ATOM 114 C PRO A 9 -6.516 -3.483 1.043 1.00 0.00 C ATOM 115 O PRO A 9 -7.571 -4.102 0.911 1.00 0.00 O ATOM 116 CB PRO A 9 -6.023 -1.317 -0.121 1.00 0.00 C ATOM 117 CG PRO A 9 -4.578 -1.045 0.110 1.00 0.00 C ATOM 118 CD PRO A 9 -4.451 -0.728 1.573 1.00 0.00 C ATOM 0 HA PRO A 9 -7.534 -1.696 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.169 -1.980 -0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.569 -0.398 -0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.970 -1.909 -0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.234 -0.211 -0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.480 -1.029 1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.556 0.340 1.765 1.00 0.00 H new ATOM 126 N CYS A 10 -5.328 -4.079 1.078 1.00 0.00 N ATOM 127 CA CYS A 10 -5.193 -5.522 0.960 1.00 0.00 C ATOM 128 C CYS A 10 -5.929 -6.231 2.089 1.00 0.00 C ATOM 129 O CYS A 10 -5.787 -5.870 3.258 1.00 0.00 O ATOM 130 CB CYS A 10 -3.715 -5.921 0.967 1.00 0.00 C ATOM 131 SG CYS A 10 -2.806 -5.442 -0.540 1.00 0.00 S ATOM 0 H CYS A 10 -4.445 -3.581 1.187 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.639 -5.827 0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.231 -5.465 1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.642 -7.001 1.094 1.00 0.00 H new ATOM 136 N GLN A 11 -6.712 -7.248 1.738 1.00 0.00 N ATOM 137 CA GLN A 11 -7.460 -8.012 2.731 1.00 0.00 C ATOM 138 C GLN A 11 -6.650 -9.210 3.198 1.00 0.00 C ATOM 139 O GLN A 11 -7.161 -10.325 3.309 1.00 0.00 O ATOM 140 CB GLN A 11 -8.805 -8.467 2.161 1.00 0.00 C ATOM 141 CG GLN A 11 -9.732 -7.318 1.796 1.00 0.00 C ATOM 142 CD GLN A 11 -10.429 -6.726 3.005 1.00 0.00 C ATOM 143 OE1 GLN A 11 -10.072 -7.017 4.146 1.00 0.00 O ATOM 144 NE2 GLN A 11 -11.433 -5.891 2.758 1.00 0.00 N ATOM 0 H GLN A 11 -6.844 -7.561 0.776 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.651 -7.366 3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.627 -9.075 1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.302 -9.106 2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.159 -6.539 1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.480 -7.671 1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.695 -5.679 1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.942 -5.463 3.531 1.00 0.00 H new ATOM 153 N ASN A 12 -5.380 -8.958 3.467 1.00 0.00 N ATOM 154 CA ASN A 12 -4.462 -9.987 3.925 1.00 0.00 C ATOM 155 C ASN A 12 -3.384 -9.362 4.807 1.00 0.00 C ATOM 156 O ASN A 12 -3.556 -8.250 5.306 1.00 0.00 O ATOM 157 CB ASN A 12 -3.837 -10.694 2.719 1.00 0.00 C ATOM 158 CG ASN A 12 -4.647 -11.894 2.267 1.00 0.00 C ATOM 159 OD1 ASN A 12 -4.405 -13.019 2.704 1.00 0.00 O ATOM 160 ND2 ASN A 12 -5.614 -11.658 1.390 1.00 0.00 N ATOM 0 H ASN A 12 -4.957 -8.035 3.374 1.00 0.00 H new ATOM 0 HA ASN A 12 -5.005 -10.725 4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.748 -9.988 1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.827 -11.016 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.193 -12.426 1.050 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.778 -10.709 1.055 1.00 0.00 H new ATOM 167 N ASP A 13 -2.273 -10.065 4.993 1.00 0.00 N ATOM 168 CA ASP A 13 -1.182 -9.553 5.810 1.00 0.00 C ATOM 169 C ASP A 13 -0.198 -8.752 4.959 1.00 0.00 C ATOM 170 O ASP A 13 1.017 -8.869 5.124 1.00 0.00 O ATOM 171 CB ASP A 13 -0.453 -10.705 6.506 1.00 0.00 C ATOM 172 CG ASP A 13 0.085 -11.725 5.524 1.00 0.00 C ATOM 173 OD1 ASP A 13 0.691 -11.313 4.511 1.00 0.00 O ATOM 174 OD2 ASP A 13 -0.096 -12.937 5.766 1.00 0.00 O ATOM 0 H ASP A 13 -2.105 -10.987 4.591 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.605 -8.892 6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.370 -10.305 7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.135 -11.197 7.199 1.00 0.00 H new ATOM 179 N ALA A 14 -0.727 -7.938 4.045 1.00 0.00 N ATOM 180 CA ALA A 14 0.103 -7.127 3.174 1.00 0.00 C ATOM 181 C ALA A 14 0.703 -5.945 3.930 1.00 0.00 C ATOM 182 O ALA A 14 0.449 -5.765 5.121 1.00 0.00 O ATOM 183 CB ALA A 14 -0.725 -6.648 1.994 1.00 0.00 C ATOM 0 H ALA A 14 -1.730 -7.827 3.894 1.00 0.00 H new ATOM 0 HA ALA A 14 0.931 -7.734 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.104 -6.038 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.102 -7.508 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.564 -6.053 2.356 1.00 0.00 H new ATOM 189 N THR A 15 1.498 -5.144 3.231 1.00 0.00 N ATOM 190 CA THR A 15 2.135 -3.979 3.837 1.00 0.00 C ATOM 191 C THR A 15 1.605 -2.690 3.214 1.00 0.00 C ATOM 192 O THR A 15 1.090 -2.697 2.095 1.00 0.00 O ATOM 193 CB THR A 15 3.654 -4.062 3.673 1.00 0.00 C ATOM 194 OG1 THR A 15 4.168 -5.202 4.335 1.00 0.00 O ATOM 195 CG2 THR A 15 4.390 -2.854 4.216 1.00 0.00 C ATOM 0 H THR A 15 1.718 -5.279 2.244 1.00 0.00 H new ATOM 0 HA THR A 15 1.896 -3.970 4.900 1.00 0.00 H new ATOM 0 HB THR A 15 3.820 -4.115 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.462 -2.983 4.065 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.055 -1.958 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.183 -2.751 5.281 1.00 0.00 H new ATOM 202 N CYS A 16 1.733 -1.589 3.945 1.00 0.00 N ATOM 203 CA CYS A 16 1.263 -0.295 3.467 1.00 0.00 C ATOM 204 C CYS A 16 2.359 0.434 2.695 1.00 0.00 C ATOM 205 O CYS A 16 3.488 0.559 3.168 1.00 0.00 O ATOM 206 CB CYS A 16 0.794 0.568 4.642 1.00 0.00 C ATOM 207 SG CYS A 16 2.123 1.046 5.794 1.00 0.00 S ATOM 0 H CYS A 16 2.159 -1.567 4.872 1.00 0.00 H new ATOM 0 HA CYS A 16 0.424 -0.470 2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.325 1.471 4.251 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.027 0.025 5.194 1.00 0.00 H new ATOM 212 N LEU A 17 2.014 0.913 1.504 1.00 0.00 N ATOM 213 CA LEU A 17 2.964 1.631 0.664 1.00 0.00 C ATOM 214 C LEU A 17 2.263 2.738 -0.122 1.00 0.00 C ATOM 215 O LEU A 17 2.394 2.831 -1.344 1.00 0.00 O ATOM 216 CB LEU A 17 3.669 0.663 -0.291 1.00 0.00 C ATOM 217 CG LEU A 17 5.197 0.740 -0.279 1.00 0.00 C ATOM 218 CD1 LEU A 17 5.662 2.158 -0.571 1.00 0.00 C ATOM 219 CD2 LEU A 17 5.742 0.262 1.059 1.00 0.00 C ATOM 0 H LEU A 17 1.083 0.816 1.099 1.00 0.00 H new ATOM 0 HA LEU A 17 3.712 2.091 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.370 -0.354 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.318 0.857 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 17 5.582 0.086 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.751 2.194 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.300 2.465 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.268 2.834 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.830 0.323 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.349 0.891 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.438 -0.771 1.228 1.00 0.00 H new ATOM 231 N ASP A 18 1.515 3.577 0.588 1.00 0.00 N ATOM 232 CA ASP A 18 0.793 4.677 -0.037 1.00 0.00 C ATOM 233 C ASP A 18 0.773 5.901 0.874 1.00 0.00 C ATOM 234 O ASP A 18 -0.286 6.326 1.339 1.00 0.00 O ATOM 235 CB ASP A 18 -0.637 4.248 -0.381 1.00 0.00 C ATOM 236 CG ASP A 18 -1.469 5.384 -0.948 1.00 0.00 C ATOM 237 OD1 ASP A 18 -0.874 6.364 -1.445 1.00 0.00 O ATOM 238 OD2 ASP A 18 -2.713 5.294 -0.894 1.00 0.00 O ATOM 0 H ASP A 18 1.394 3.515 1.599 1.00 0.00 H new ATOM 0 HA ASP A 18 1.311 4.945 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.603 3.432 -1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.121 3.861 0.515 1.00 0.00 H new ATOM 243 N GLN A 19 1.950 6.465 1.125 1.00 0.00 N ATOM 244 CA GLN A 19 2.068 7.643 1.977 1.00 0.00 C ATOM 245 C GLN A 19 2.812 8.762 1.256 1.00 0.00 C ATOM 246 O GLN A 19 3.442 9.609 1.886 1.00 0.00 O ATOM 247 CB GLN A 19 2.790 7.289 3.278 1.00 0.00 C ATOM 248 CG GLN A 19 2.588 8.312 4.384 1.00 0.00 C ATOM 249 CD GLN A 19 3.629 8.199 5.481 1.00 0.00 C ATOM 250 OE1 GLN A 19 3.295 8.065 6.659 1.00 0.00 O ATOM 251 NE2 GLN A 19 4.899 8.249 5.099 1.00 0.00 N ATOM 0 H GLN A 19 2.836 6.125 0.750 1.00 0.00 H new ATOM 0 HA GLN A 19 1.063 7.992 2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.440 6.317 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.857 7.190 3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.623 9.314 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.595 8.184 4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.131 8.361 4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.643 8.175 5.792 1.00 0.00 H new ATOM 260 N ILE A 20 2.726 8.758 -0.070 1.00 0.00 N ATOM 261 CA ILE A 20 3.384 9.772 -0.885 1.00 0.00 C ATOM 262 C ILE A 20 2.579 10.062 -2.147 1.00 0.00 C ATOM 263 O ILE A 20 3.138 10.400 -3.189 1.00 0.00 O ATOM 264 CB ILE A 20 4.808 9.338 -1.293 1.00 0.00 C ATOM 265 CG1 ILE A 20 5.543 8.714 -0.105 1.00 0.00 C ATOM 266 CG2 ILE A 20 5.586 10.527 -1.838 1.00 0.00 C ATOM 267 CD1 ILE A 20 5.157 7.275 0.156 1.00 0.00 C ATOM 0 H ILE A 20 2.206 8.062 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 20 3.449 10.673 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 20 4.729 8.586 -2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.617 8.767 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.339 9.304 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.588 10.207 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.072 10.928 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.655 11.299 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.717 6.898 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.089 7.217 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.387 6.672 -0.722 1.00 0.00 H new ATOM 279 N GLY A 21 1.262 9.925 -2.044 1.00 0.00 N ATOM 280 CA GLY A 21 0.399 10.173 -3.183 1.00 0.00 C ATOM 281 C GLY A 21 0.490 9.079 -4.229 1.00 0.00 C ATOM 282 O GLY A 21 0.231 9.315 -5.409 1.00 0.00 O ATOM 0 H GLY A 21 0.776 9.646 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.632 10.260 -2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.666 11.128 -3.636 1.00 0.00 H new ATOM 286 N GLU A 22 0.861 7.876 -3.797 1.00 0.00 N ATOM 287 CA GLU A 22 0.985 6.742 -4.705 1.00 0.00 C ATOM 288 C GLU A 22 0.443 5.469 -4.061 1.00 0.00 C ATOM 289 O GLU A 22 1.071 4.895 -3.173 1.00 0.00 O ATOM 290 CB GLU A 22 2.449 6.542 -5.106 1.00 0.00 C ATOM 291 CG GLU A 22 2.835 7.277 -6.379 1.00 0.00 C ATOM 292 CD GLU A 22 4.263 7.785 -6.348 1.00 0.00 C ATOM 293 OE1 GLU A 22 4.632 8.460 -5.364 1.00 0.00 O ATOM 294 OE2 GLU A 22 5.014 7.507 -7.307 1.00 0.00 O ATOM 0 H GLU A 22 1.081 7.663 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 22 0.397 6.955 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.090 6.881 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.639 5.477 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.709 6.610 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.157 8.117 -6.529 1.00 0.00 H new ATOM 301 N PHE A 23 -0.729 5.038 -4.515 1.00 0.00 N ATOM 302 CA PHE A 23 -1.360 3.835 -3.984 1.00 0.00 C ATOM 303 C PHE A 23 -0.606 2.583 -4.418 1.00 0.00 C ATOM 304 O PHE A 23 -0.584 2.236 -5.599 1.00 0.00 O ATOM 305 CB PHE A 23 -2.816 3.755 -4.446 1.00 0.00 C ATOM 306 CG PHE A 23 -3.570 2.598 -3.857 1.00 0.00 C ATOM 307 CD1 PHE A 23 -3.373 1.313 -4.334 1.00 0.00 C ATOM 308 CD2 PHE A 23 -4.475 2.796 -2.828 1.00 0.00 C ATOM 309 CE1 PHE A 23 -4.067 0.246 -3.796 1.00 0.00 C ATOM 310 CE2 PHE A 23 -5.171 1.732 -2.283 1.00 0.00 C ATOM 311 CZ PHE A 23 -4.966 0.456 -2.770 1.00 0.00 C ATOM 0 H PHE A 23 -1.261 5.504 -5.250 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.332 3.891 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.324 4.682 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.840 3.678 -5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.669 1.143 -5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.639 3.793 -2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.906 -0.751 -4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.873 1.899 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.509 -0.377 -2.348 1.00 0.00 H new ATOM 321 N GLN A 24 0.012 1.906 -3.453 1.00 0.00 N ATOM 322 CA GLN A 24 0.767 0.690 -3.735 1.00 0.00 C ATOM 323 C GLN A 24 0.741 -0.257 -2.539 1.00 0.00 C ATOM 324 O GLN A 24 1.262 0.061 -1.470 1.00 0.00 O ATOM 325 CB GLN A 24 2.212 1.037 -4.098 1.00 0.00 C ATOM 326 CG GLN A 24 2.761 0.221 -5.256 1.00 0.00 C ATOM 327 CD GLN A 24 4.082 0.756 -5.772 1.00 0.00 C ATOM 328 OE1 GLN A 24 4.703 1.617 -5.147 1.00 0.00 O ATOM 329 NE2 GLN A 24 4.520 0.248 -6.917 1.00 0.00 N ATOM 0 H GLN A 24 0.004 2.179 -2.470 1.00 0.00 H new ATOM 0 HA GLN A 24 0.298 0.187 -4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.270 2.096 -4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.844 0.883 -3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.892 -0.813 -4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.034 0.215 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.973 -0.464 -7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.404 0.569 -7.313 1.00 0.00 H new ATOM 338 N CYS A 25 0.138 -1.426 -2.728 1.00 0.00 N ATOM 339 CA CYS A 25 0.052 -2.423 -1.667 1.00 0.00 C ATOM 340 C CYS A 25 1.027 -3.567 -1.925 1.00 0.00 C ATOM 341 O CYS A 25 1.117 -4.077 -3.042 1.00 0.00 O ATOM 342 CB CYS A 25 -1.377 -2.967 -1.561 1.00 0.00 C ATOM 343 SG CYS A 25 -1.745 -3.802 0.018 1.00 0.00 S ATOM 0 H CYS A 25 -0.298 -1.706 -3.606 1.00 0.00 H new ATOM 0 HA CYS A 25 0.318 -1.943 -0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.078 -2.143 -1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.548 -3.668 -2.378 1.00 0.00 H new ATOM 348 N ILE A 26 1.757 -3.966 -0.888 1.00 0.00 N ATOM 349 CA ILE A 26 2.724 -5.050 -1.012 1.00 0.00 C ATOM 350 C ILE A 26 2.072 -6.395 -0.714 1.00 0.00 C ATOM 351 O ILE A 26 1.790 -6.717 0.440 1.00 0.00 O ATOM 352 CB ILE A 26 3.924 -4.852 -0.065 1.00 0.00 C ATOM 353 CG1 ILE A 26 4.396 -3.398 -0.092 1.00 0.00 C ATOM 354 CG2 ILE A 26 5.059 -5.790 -0.447 1.00 0.00 C ATOM 355 CD1 ILE A 26 4.929 -2.961 -1.440 1.00 0.00 C ATOM 0 H ILE A 26 1.697 -3.556 0.044 1.00 0.00 H new ATOM 0 HA ILE A 26 3.083 -5.038 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 26 3.606 -5.089 0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.566 -2.750 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.175 -3.263 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.900 -5.639 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.717 -6.823 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.375 -5.582 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.246 -1.919 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.779 -3.585 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.146 -3.064 -2.191 1.00 0.00 H new ATOM 367 N CYS A 27 1.829 -7.171 -1.764 1.00 0.00 N ATOM 368 CA CYS A 27 1.202 -8.478 -1.618 1.00 0.00 C ATOM 369 C CYS A 27 2.243 -9.566 -1.378 1.00 0.00 C ATOM 370 O CYS A 27 3.447 -9.314 -1.432 1.00 0.00 O ATOM 371 CB CYS A 27 0.377 -8.810 -2.861 1.00 0.00 C ATOM 372 SG CYS A 27 -1.416 -8.565 -2.649 1.00 0.00 S ATOM 0 H CYS A 27 2.057 -6.917 -2.725 1.00 0.00 H new ATOM 0 HA CYS A 27 0.544 -8.439 -0.750 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.722 -8.191 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.561 -9.848 -3.140 1.00 0.00 H new ATOM 377 N MET A 28 1.765 -10.778 -1.115 1.00 0.00 N ATOM 378 CA MET A 28 2.645 -11.913 -0.867 1.00 0.00 C ATOM 379 C MET A 28 3.367 -12.330 -2.147 1.00 0.00 C ATOM 380 O MET A 28 2.947 -11.972 -3.248 1.00 0.00 O ATOM 381 CB MET A 28 1.842 -13.091 -0.314 1.00 0.00 C ATOM 382 CG MET A 28 1.132 -12.780 0.994 1.00 0.00 C ATOM 383 SD MET A 28 -0.078 -14.040 1.444 1.00 0.00 S ATOM 384 CE MET A 28 -1.259 -13.062 2.369 1.00 0.00 C ATOM 0 H MET A 28 0.770 -10.999 -1.068 1.00 0.00 H new ATOM 0 HA MET A 28 3.391 -11.612 -0.132 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.104 -13.397 -1.055 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.512 -13.938 -0.162 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.870 -12.689 1.791 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.632 -11.815 0.911 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.668 -13.660 3.183 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.762 -12.183 2.779 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.067 -12.747 1.709 1.00 0.00 H new ATOM 394 N PRO A 29 4.465 -13.093 -2.019 1.00 0.00 N ATOM 395 CA PRO A 29 5.244 -13.556 -3.173 1.00 0.00 C ATOM 396 C PRO A 29 4.381 -14.275 -4.204 1.00 0.00 C ATOM 397 O PRO A 29 4.245 -15.498 -4.171 1.00 0.00 O ATOM 398 CB PRO A 29 6.256 -14.524 -2.556 1.00 0.00 C ATOM 399 CG PRO A 29 6.388 -14.084 -1.140 1.00 0.00 C ATOM 400 CD PRO A 29 5.035 -13.564 -0.742 1.00 0.00 C ATOM 0 HA PRO A 29 5.702 -12.727 -3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.907 -15.555 -2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.213 -14.479 -3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.692 -14.913 -0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.149 -13.310 -1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.421 -14.343 -0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.112 -12.757 -0.014 1.00 0.00 H new ATOM 408 N GLY A 30 3.799 -13.507 -5.119 1.00 0.00 N ATOM 409 CA GLY A 30 2.958 -14.088 -6.149 1.00 0.00 C ATOM 410 C GLY A 30 1.531 -14.304 -5.684 1.00 0.00 C ATOM 411 O GLY A 30 1.045 -15.435 -5.659 1.00 0.00 O ATOM 0 H GLY A 30 3.895 -12.493 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.957 -13.436 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.382 -15.042 -6.464 1.00 0.00 H new ATOM 415 N TYR A 31 0.858 -13.218 -5.315 1.00 0.00 N ATOM 416 CA TYR A 31 -0.524 -13.297 -4.852 1.00 0.00 C ATOM 417 C TYR A 31 -1.461 -12.652 -5.870 1.00 0.00 C ATOM 418 O TYR A 31 -1.240 -11.519 -6.297 1.00 0.00 O ATOM 419 CB TYR A 31 -0.665 -12.610 -3.491 1.00 0.00 C ATOM 420 CG TYR A 31 -1.739 -13.215 -2.613 1.00 0.00 C ATOM 421 CD1 TYR A 31 -1.440 -14.255 -1.740 1.00 0.00 C ATOM 422 CD2 TYR A 31 -3.047 -12.748 -2.651 1.00 0.00 C ATOM 423 CE1 TYR A 31 -2.413 -14.813 -0.933 1.00 0.00 C ATOM 424 CE2 TYR A 31 -4.025 -13.302 -1.845 1.00 0.00 C ATOM 425 CZ TYR A 31 -3.703 -14.333 -0.990 1.00 0.00 C ATOM 426 OH TYR A 31 -4.675 -14.886 -0.187 1.00 0.00 O ATOM 0 H TYR A 31 1.246 -12.275 -5.327 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.797 -14.347 -4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.290 -12.660 -2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.888 -11.555 -3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.430 -14.633 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.304 -11.940 -3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.164 -15.621 -0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.037 -12.928 -1.886 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.529 -14.433 -0.348 1.00 0.00 H new ATOM 436 N GLU A 32 -2.499 -13.382 -6.265 1.00 0.00 N ATOM 437 CA GLU A 32 -3.458 -12.878 -7.243 1.00 0.00 C ATOM 438 C GLU A 32 -4.607 -12.135 -6.566 1.00 0.00 C ATOM 439 O GLU A 32 -4.706 -12.108 -5.339 1.00 0.00 O ATOM 440 CB GLU A 32 -4.006 -14.031 -8.086 1.00 0.00 C ATOM 441 CG GLU A 32 -3.465 -14.058 -9.506 1.00 0.00 C ATOM 442 CD GLU A 32 -3.221 -15.465 -10.012 1.00 0.00 C ATOM 443 OE1 GLU A 32 -3.851 -16.405 -9.481 1.00 0.00 O ATOM 444 OE2 GLU A 32 -2.399 -15.631 -10.939 1.00 0.00 O ATOM 0 H GLU A 32 -2.698 -14.323 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.936 -12.173 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.765 -14.974 -7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.093 -13.959 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.170 -13.555 -10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.532 -13.495 -9.546 1.00 0.00 H new ATOM 451 N GLY A 33 -5.470 -11.532 -7.380 1.00 0.00 N ATOM 452 CA GLY A 33 -6.602 -10.793 -6.851 1.00 0.00 C ATOM 453 C GLY A 33 -6.222 -9.403 -6.382 1.00 0.00 C ATOM 454 O GLY A 33 -5.221 -9.226 -5.688 1.00 0.00 O ATOM 0 H GLY A 33 -5.405 -11.543 -8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.372 -10.716 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.036 -11.347 -6.019 1.00 0.00 H new ATOM 458 N VAL A 34 -7.024 -8.412 -6.762 1.00 0.00 N ATOM 459 CA VAL A 34 -6.764 -7.031 -6.376 1.00 0.00 C ATOM 460 C VAL A 34 -6.749 -6.882 -4.859 1.00 0.00 C ATOM 461 O VAL A 34 -7.644 -7.366 -4.168 1.00 0.00 O ATOM 462 CB VAL A 34 -7.815 -6.074 -6.969 1.00 0.00 C ATOM 463 CG1 VAL A 34 -7.528 -4.631 -6.569 1.00 0.00 C ATOM 464 CG2 VAL A 34 -7.852 -6.213 -8.480 1.00 0.00 C ATOM 0 H VAL A 34 -7.857 -8.541 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.784 -6.768 -6.774 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.792 -6.343 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.285 -3.976 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.550 -4.543 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.544 -4.340 -6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.598 -5.532 -8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.873 -5.969 -8.892 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.112 -7.238 -8.745 1.00 0.00 H new ATOM 474 N TYR A 35 -5.724 -6.209 -4.350 1.00 0.00 N ATOM 475 CA TYR A 35 -5.590 -5.992 -2.916 1.00 0.00 C ATOM 476 C TYR A 35 -5.480 -7.321 -2.172 1.00 0.00 C ATOM 477 O TYR A 35 -6.153 -7.542 -1.167 1.00 0.00 O ATOM 478 CB TYR A 35 -6.778 -5.189 -2.390 1.00 0.00 C ATOM 479 CG TYR A 35 -7.114 -3.992 -3.247 1.00 0.00 C ATOM 480 CD1 TYR A 35 -6.111 -3.179 -3.761 1.00 0.00 C ATOM 481 CD2 TYR A 35 -8.432 -3.674 -3.540 1.00 0.00 C ATOM 482 CE1 TYR A 35 -6.416 -2.082 -4.546 1.00 0.00 C ATOM 483 CE2 TYR A 35 -8.746 -2.579 -4.322 1.00 0.00 C ATOM 484 CZ TYR A 35 -7.734 -1.785 -4.823 1.00 0.00 C ATOM 485 OH TYR A 35 -8.043 -0.694 -5.602 1.00 0.00 O ATOM 0 H TYR A 35 -4.974 -5.804 -4.910 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.675 -5.426 -2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.650 -5.840 -2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.560 -4.852 -1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.078 -3.407 -3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -9.227 -4.293 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.626 -1.461 -4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -9.778 -2.346 -4.540 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.016 -0.628 -5.701 1.00 0.00 H new ATOM 495 N CYS A 36 -4.623 -8.204 -2.677 1.00 0.00 N ATOM 496 CA CYS A 36 -4.414 -9.512 -2.064 1.00 0.00 C ATOM 497 C CYS A 36 -5.741 -10.223 -1.806 1.00 0.00 C ATOM 498 O CYS A 36 -6.399 -9.983 -0.794 1.00 0.00 O ATOM 499 CB CYS A 36 -3.641 -9.362 -0.753 1.00 0.00 C ATOM 500 SG CYS A 36 -1.841 -9.562 -0.932 1.00 0.00 S ATOM 0 H CYS A 36 -4.061 -8.037 -3.511 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.833 -10.118 -2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.847 -8.378 -0.331 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.009 -10.099 -0.039 1.00 0.00 H new ATOM 505 N GLU A 37 -6.123 -11.102 -2.726 1.00 0.00 N ATOM 506 CA GLU A 37 -7.368 -11.851 -2.594 1.00 0.00 C ATOM 507 C GLU A 37 -7.191 -13.294 -3.060 1.00 0.00 C ATOM 508 O GLU A 37 -7.559 -14.233 -2.357 1.00 0.00 O ATOM 509 CB GLU A 37 -8.484 -11.172 -3.394 1.00 0.00 C ATOM 510 CG GLU A 37 -9.784 -11.962 -3.425 1.00 0.00 C ATOM 511 CD GLU A 37 -10.942 -11.207 -2.800 1.00 0.00 C ATOM 512 OE1 GLU A 37 -10.770 -10.672 -1.685 1.00 0.00 O ATOM 513 OE2 GLU A 37 -12.021 -11.151 -3.427 1.00 0.00 O ATOM 0 H GLU A 37 -5.590 -11.313 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.645 -11.864 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.678 -10.188 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.141 -11.014 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.031 -12.208 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.644 -12.906 -2.898 1.00 0.00 H new ATOM 520 N ILE A 38 -6.630 -13.459 -4.252 1.00 0.00 N ATOM 521 CA ILE A 38 -6.409 -14.784 -4.814 1.00 0.00 C ATOM 522 C ILE A 38 -4.918 -15.080 -4.957 1.00 0.00 C ATOM 523 O ILE A 38 -4.315 -15.713 -4.090 1.00 0.00 O ATOM 524 CB ILE A 38 -7.090 -14.923 -6.189 1.00 0.00 C ATOM 525 CG1 ILE A 38 -8.579 -14.594 -6.076 1.00 0.00 C ATOM 526 CG2 ILE A 38 -6.896 -16.326 -6.745 1.00 0.00 C ATOM 527 CD1 ILE A 38 -9.278 -15.330 -4.953 1.00 0.00 C ATOM 0 H ILE A 38 -6.320 -12.691 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.849 -15.504 -4.124 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.627 -14.216 -6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.695 -13.521 -5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.069 -14.837 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.384 -16.403 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.831 -16.529 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.333 -17.052 -6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.331 -15.048 -4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.194 -16.405 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.814 -15.068 -4.002 1.00 0.00 H new TER 539 ILE A 38 HETATM 540 C1 FUC A 39 5.430 -5.611 3.937 1.00 0.00 C HETATM 541 C2 FUC A 39 6.080 -6.440 5.040 1.00 0.00 C HETATM 542 C3 FUC A 39 5.254 -7.694 5.306 1.00 0.00 C HETATM 543 C4 FUC A 39 5.049 -8.459 4.003 1.00 0.00 C HETATM 544 C5 FUC A 39 4.441 -7.536 2.950 1.00 0.00 C HETATM 545 C6 FUC A 39 4.275 -8.216 1.604 1.00 0.00 C HETATM 546 O2 FUC A 39 6.170 -5.668 6.230 1.00 0.00 O HETATM 547 O3 FUC A 39 5.924 -8.520 6.245 1.00 0.00 O HETATM 548 O4 FUC A 39 6.296 -8.957 3.540 1.00 0.00 O HETATM 549 O5 FUC A 39 5.289 -6.392 2.748 1.00 0.00 O HETATM 0 HO4 FUC A 39 6.141 -9.693 2.912 1.00 0.00 H new HETATM 0 HO3 FUC A 39 6.441 -9.203 5.769 1.00 0.00 H new HETATM 0 HO2 FUC A 39 5.367 -5.113 6.322 1.00 0.00 H new HETATM 0 H63 FUC A 39 5.249 -8.544 1.239 1.00 0.00 H new HETATM 0 H62 FUC A 39 3.618 -9.079 1.711 1.00 0.00 H new HETATM 0 H61 FUC A 39 3.839 -7.514 0.893 1.00 0.00 H new HETATM 0 H5 FUC A 39 3.460 -7.248 3.327 1.00 0.00 H new HETATM 0 H4 FUC A 39 4.371 -9.294 4.181 1.00 0.00 H new HETATM 0 H3 FUC A 39 4.284 -7.405 5.711 1.00 0.00 H new HETATM 0 H2 FUC A 39 7.080 -6.732 4.721 1.00 0.00 H new