USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 393 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 18 MET CE :methyl 155:sc= -6.42! (180deg=-2.06!) USER MOD Set 1.2: B 118 MET CE :methyl 173:sc= -15.9! (180deg=-6.37!) USER MOD Set 1.3: C 218 MET CE :methyl 156:sc= -7.63! (180deg=-1.87!) USER MOD Single : A 3 THR OG1 : rot -100:sc= -1.15 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 13 THR OG1 : rot 95:sc= 1.2 USER MOD Single : B 103 THR OG1 : rot -100:sc= -0.504 USER MOD Single : B 104 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : B 113 THR OG1 : rot 107:sc= 1.17 USER MOD Single : C 203 THR OG1 : rot -90:sc= -1.13 USER MOD Single : C 204 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : C 213 THR OG1 : rot 92:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 3 -0.689 -3.718 -1.845 1.00 0.00 N ATOM 39 CA THR A 3 -2.128 -3.720 -2.011 1.00 0.00 C ATOM 40 C THR A 3 -2.492 -3.203 -3.395 1.00 0.00 C ATOM 41 O THR A 3 -3.462 -3.658 -3.997 1.00 0.00 O ATOM 42 CB THR A 3 -2.766 -2.856 -0.927 1.00 0.00 C ATOM 43 OG1 THR A 3 -4.162 -2.817 -1.118 1.00 0.00 O ATOM 44 CG2 THR A 3 -2.201 -1.441 -1.007 1.00 0.00 C ATOM 0 HA THR A 3 -2.505 -4.738 -1.916 1.00 0.00 H new ATOM 0 HB THR A 3 -2.546 -3.280 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.408 -1.979 -1.562 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.656 -0.823 -0.233 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.122 -1.471 -0.859 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.421 -1.016 -1.986 1.00 0.00 H new ATOM 52 N ASN A 4 -1.707 -2.248 -3.900 1.00 0.00 N ATOM 53 CA ASN A 4 -1.949 -1.675 -5.209 1.00 0.00 C ATOM 54 C ASN A 4 -2.303 -2.775 -6.200 1.00 0.00 C ATOM 55 O ASN A 4 -3.305 -2.682 -6.905 1.00 0.00 O ATOM 56 CB ASN A 4 -0.707 -0.915 -5.666 1.00 0.00 C ATOM 57 CG ASN A 4 -0.643 -0.843 -7.185 1.00 0.00 C ATOM 58 OD1 ASN A 4 -0.021 -1.690 -7.822 1.00 0.00 O ATOM 59 ND2 ASN A 4 -1.290 0.171 -7.764 1.00 0.00 N ATOM 0 H ASN A 4 -0.898 -1.860 -3.414 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.787 -0.980 -5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.719 0.093 -5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.187 -1.407 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.282 0.268 -8.779 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.792 0.849 -7.191 1.00 0.00 H new ATOM 66 N LEU A 5 -1.474 -3.821 -6.251 1.00 0.00 N ATOM 67 CA LEU A 5 -1.701 -4.933 -7.152 1.00 0.00 C ATOM 68 C LEU A 5 -3.175 -5.312 -7.144 1.00 0.00 C ATOM 69 O LEU A 5 -3.786 -5.467 -8.199 1.00 0.00 O ATOM 70 CB LEU A 5 -0.836 -6.116 -6.727 1.00 0.00 C ATOM 71 CG LEU A 5 0.516 -6.035 -7.428 1.00 0.00 C ATOM 72 CD1 LEU A 5 1.355 -7.256 -7.059 1.00 0.00 C ATOM 73 CD2 LEU A 5 0.305 -6.001 -8.939 1.00 0.00 C ATOM 0 H LEU A 5 -0.639 -3.913 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.426 -4.645 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.698 -6.109 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.333 -7.053 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 5 1.034 -5.129 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.321 -7.198 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.507 -7.281 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.837 -8.162 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.271 -5.943 -9.440 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.214 -6.906 -9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.294 -5.129 -9.203 1.00 0.00 H new ATOM 85 N GLU A 6 -3.747 -5.462 -5.947 1.00 0.00 N ATOM 86 CA GLU A 6 -5.145 -5.820 -5.809 1.00 0.00 C ATOM 87 C GLU A 6 -6.023 -4.707 -6.362 1.00 0.00 C ATOM 88 O GLU A 6 -7.107 -4.966 -6.880 1.00 0.00 O ATOM 89 CB GLU A 6 -5.460 -6.077 -4.338 1.00 0.00 C ATOM 90 CG GLU A 6 -4.763 -7.357 -3.885 1.00 0.00 C ATOM 91 CD GLU A 6 -3.286 -7.329 -4.248 1.00 0.00 C ATOM 92 OE1 GLU A 6 -2.924 -8.045 -5.207 1.00 0.00 O ATOM 93 OE2 GLU A 6 -2.546 -6.593 -3.560 1.00 0.00 O ATOM 0 H GLU A 6 -3.255 -5.339 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.348 -6.729 -6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.127 -5.235 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.537 -6.167 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.874 -7.474 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.240 -8.220 -4.351 1.00 0.00 H new ATOM 101 N ILE A 7 -5.550 -3.463 -6.252 1.00 0.00 N ATOM 102 CA ILE A 7 -6.289 -2.316 -6.742 1.00 0.00 C ATOM 103 C ILE A 7 -6.419 -2.396 -8.256 1.00 0.00 C ATOM 104 O ILE A 7 -7.396 -1.912 -8.823 1.00 0.00 O ATOM 105 CB ILE A 7 -5.573 -1.035 -6.325 1.00 0.00 C ATOM 106 CG1 ILE A 7 -5.216 -1.109 -4.844 1.00 0.00 C ATOM 107 CG2 ILE A 7 -6.488 0.161 -6.570 1.00 0.00 C ATOM 108 CD1 ILE A 7 -4.879 0.288 -4.331 1.00 0.00 C ATOM 0 H ILE A 7 -4.653 -3.233 -5.824 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.291 -2.311 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.661 -0.921 -6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.050 -1.524 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.367 -1.777 -4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.977 1.077 -6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.741 0.214 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.400 0.047 -5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.624 0.235 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.032 0.686 -4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.741 0.942 -4.464 1.00 0.00 H new ATOM 120 N ILE A 8 -5.429 -3.008 -8.911 1.00 0.00 N ATOM 121 CA ILE A 8 -5.437 -3.149 -10.354 1.00 0.00 C ATOM 122 C ILE A 8 -6.397 -4.258 -10.757 1.00 0.00 C ATOM 123 O ILE A 8 -7.153 -4.109 -11.715 1.00 0.00 O ATOM 124 CB ILE A 8 -4.023 -3.452 -10.842 1.00 0.00 C ATOM 125 CG1 ILE A 8 -3.115 -2.263 -10.542 1.00 0.00 C ATOM 126 CG2 ILE A 8 -4.048 -3.706 -12.346 1.00 0.00 C ATOM 127 CD1 ILE A 8 -1.657 -2.714 -10.578 1.00 0.00 C ATOM 0 H ILE A 8 -4.612 -3.413 -8.455 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.774 -2.220 -10.813 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.644 -4.336 -10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.280 -1.472 -11.273 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.354 -1.847 -9.563 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.038 -3.922 -12.695 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.696 -4.556 -12.561 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.427 -2.822 -12.858 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.008 -1.865 -10.364 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.498 -3.490 -9.830 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.423 -3.109 -11.566 1.00 0.00 H new ATOM 139 N ILE A 9 -6.367 -5.374 -10.023 1.00 0.00 N ATOM 140 CA ILE A 9 -7.234 -6.500 -10.306 1.00 0.00 C ATOM 141 C ILE A 9 -8.645 -6.198 -9.822 1.00 0.00 C ATOM 142 O ILE A 9 -9.610 -6.772 -10.322 1.00 0.00 O ATOM 143 CB ILE A 9 -6.683 -7.749 -9.622 1.00 0.00 C ATOM 144 CG1 ILE A 9 -5.446 -8.236 -10.372 1.00 0.00 C ATOM 145 CG2 ILE A 9 -7.746 -8.843 -9.630 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.972 -9.555 -9.769 1.00 0.00 C ATOM 0 H ILE A 9 -5.745 -5.513 -9.226 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.270 -6.676 -11.381 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.414 -7.511 -8.593 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.677 -8.369 -11.429 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.653 -7.490 -10.311 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.354 -9.735 -9.142 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.630 -8.496 -9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.015 -9.081 -10.659 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.089 -9.903 -10.304 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.724 -9.406 -8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.764 -10.299 -9.853 1.00 0.00 H new ATOM 158 N LEU A 10 -8.764 -5.293 -8.848 1.00 0.00 N ATOM 159 CA LEU A 10 -10.054 -4.920 -8.304 1.00 0.00 C ATOM 160 C LEU A 10 -10.674 -3.820 -9.153 1.00 0.00 C ATOM 161 O LEU A 10 -11.813 -3.943 -9.599 1.00 0.00 O ATOM 162 CB LEU A 10 -9.881 -4.455 -6.860 1.00 0.00 C ATOM 163 CG LEU A 10 -9.709 -5.670 -5.953 1.00 0.00 C ATOM 164 CD1 LEU A 10 -9.763 -5.227 -4.493 1.00 0.00 C ATOM 165 CD2 LEU A 10 -10.829 -6.671 -6.223 1.00 0.00 C ATOM 0 H LEU A 10 -7.973 -4.808 -8.424 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.721 -5.782 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.013 -3.801 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.748 -3.874 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.746 -6.140 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.640 -6.095 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.962 -4.513 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.725 -4.756 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.706 -7.539 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.792 -6.202 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.790 -6.988 -7.265 1.00 0.00 H new ATOM 177 N GLU A 11 -9.921 -2.740 -9.376 1.00 0.00 N ATOM 178 CA GLU A 11 -10.401 -1.627 -10.171 1.00 0.00 C ATOM 179 C GLU A 11 -10.832 -2.119 -11.546 1.00 0.00 C ATOM 180 O GLU A 11 -11.852 -1.681 -12.075 1.00 0.00 O ATOM 181 CB GLU A 11 -9.298 -0.579 -10.293 1.00 0.00 C ATOM 182 CG GLU A 11 -9.102 0.112 -8.947 1.00 0.00 C ATOM 183 CD GLU A 11 -10.227 1.100 -8.675 1.00 0.00 C ATOM 184 OE1 GLU A 11 -10.871 1.513 -9.663 1.00 0.00 O ATOM 185 OE2 GLU A 11 -10.421 1.424 -7.483 1.00 0.00 O ATOM 0 H GLU A 11 -8.975 -2.621 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.265 -1.174 -9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.368 -1.050 -10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.561 0.154 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.067 -0.634 -8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.145 0.633 -8.937 1.00 0.00 H new ATOM 193 N GLY A 12 -10.052 -3.034 -12.125 1.00 0.00 N ATOM 194 CA GLY A 12 -10.359 -3.579 -13.432 1.00 0.00 C ATOM 195 C GLY A 12 -11.548 -4.525 -13.344 1.00 0.00 C ATOM 196 O GLY A 12 -12.537 -4.354 -14.053 1.00 0.00 O ATOM 0 H GLY A 12 -9.203 -3.408 -11.701 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.580 -2.770 -14.128 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.492 -4.110 -13.825 1.00 0.00 H new ATOM 200 N THR A 13 -11.450 -5.526 -12.467 1.00 0.00 N ATOM 201 CA THR A 13 -12.516 -6.491 -12.291 1.00 0.00 C ATOM 202 C THR A 13 -13.804 -5.777 -11.907 1.00 0.00 C ATOM 203 O THR A 13 -14.897 -6.279 -12.161 1.00 0.00 O ATOM 204 CB THR A 13 -12.117 -7.499 -11.216 1.00 0.00 C ATOM 205 OG1 THR A 13 -11.106 -8.345 -11.718 1.00 0.00 O ATOM 206 CG2 THR A 13 -13.332 -8.335 -10.826 1.00 0.00 C ATOM 0 H THR A 13 -10.638 -5.682 -11.870 1.00 0.00 H new ATOM 0 HA THR A 13 -12.685 -7.024 -13.227 1.00 0.00 H new ATOM 0 HB THR A 13 -11.745 -6.968 -10.340 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.228 -7.996 -11.457 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.047 -9.055 -10.059 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.114 -7.682 -10.439 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.704 -8.867 -11.702 1.00 0.00 H new ATOM 214 N ALA A 14 -13.672 -4.599 -11.293 1.00 0.00 N ATOM 215 CA ALA A 14 -14.822 -3.821 -10.876 1.00 0.00 C ATOM 216 C ALA A 14 -15.551 -3.284 -12.099 1.00 0.00 C ATOM 217 O ALA A 14 -16.704 -3.634 -12.340 1.00 0.00 O ATOM 218 CB ALA A 14 -14.362 -2.679 -9.975 1.00 0.00 C ATOM 0 H ALA A 14 -12.773 -4.169 -11.077 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.511 -4.453 -10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.226 -2.093 -9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.861 -3.087 -9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.670 -2.040 -10.523 1.00 0.00 H new ATOM 224 N VAL A 15 -14.875 -2.431 -12.872 1.00 0.00 N ATOM 225 CA VAL A 15 -15.460 -1.850 -14.063 1.00 0.00 C ATOM 226 C VAL A 15 -15.674 -2.932 -15.112 1.00 0.00 C ATOM 227 O VAL A 15 -16.486 -2.767 -16.020 1.00 0.00 O ATOM 228 CB VAL A 15 -14.543 -0.753 -14.597 1.00 0.00 C ATOM 229 CG1 VAL A 15 -15.336 0.173 -15.513 1.00 0.00 C ATOM 230 CG2 VAL A 15 -13.977 0.049 -13.429 1.00 0.00 C ATOM 0 H VAL A 15 -13.918 -2.132 -12.686 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.427 -1.410 -13.820 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.725 -1.205 -15.158 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.681 0.956 -15.894 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.740 -0.400 -16.348 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.154 0.625 -14.953 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.322 0.833 -13.809 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.795 0.500 -12.867 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.409 -0.613 -12.775 1.00 0.00 H new ATOM 240 N ILE A 16 -14.943 -4.042 -14.985 1.00 0.00 N ATOM 241 CA ILE A 16 -15.056 -5.146 -15.917 1.00 0.00 C ATOM 242 C ILE A 16 -16.324 -5.936 -15.628 1.00 0.00 C ATOM 243 O ILE A 16 -17.231 -5.983 -16.457 1.00 0.00 O ATOM 244 CB ILE A 16 -13.823 -6.037 -15.801 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.646 -5.374 -16.511 1.00 0.00 C ATOM 246 CG2 ILE A 16 -14.111 -7.389 -16.447 1.00 0.00 C ATOM 247 CD1 ILE A 16 -11.341 -5.988 -16.013 1.00 0.00 C ATOM 0 H ILE A 16 -14.265 -4.192 -14.238 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.115 -4.763 -16.936 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.577 -6.181 -14.749 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.735 -5.508 -17.589 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.651 -4.301 -16.322 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.231 -8.026 -16.365 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.951 -7.863 -15.940 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.357 -7.245 -17.499 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.500 -5.515 -16.520 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.252 -5.831 -14.938 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.338 -7.057 -16.225 1.00 0.00 H new ATOM 259 N ALA A 17 -16.386 -6.559 -14.449 1.00 0.00 N ATOM 260 CA ALA A 17 -17.540 -7.343 -14.058 1.00 0.00 C ATOM 261 C ALA A 17 -18.810 -6.530 -14.264 1.00 0.00 C ATOM 262 O ALA A 17 -19.863 -7.084 -14.569 1.00 0.00 O ATOM 263 CB ALA A 17 -17.397 -7.764 -12.598 1.00 0.00 C ATOM 0 H ALA A 17 -15.642 -6.530 -13.752 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.602 -8.239 -14.676 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.265 -8.354 -12.303 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -16.494 -8.362 -12.479 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.330 -6.877 -11.968 1.00 0.00 H new ATOM 269 N MET A 18 -18.708 -5.209 -14.094 1.00 0.00 N ATOM 270 CA MET A 18 -19.848 -4.330 -14.260 1.00 0.00 C ATOM 271 C MET A 18 -20.221 -4.236 -15.732 1.00 0.00 C ATOM 272 O MET A 18 -21.336 -4.579 -16.117 1.00 0.00 O ATOM 273 CB MET A 18 -19.510 -2.951 -13.700 1.00 0.00 C ATOM 274 CG MET A 18 -19.908 -2.887 -12.228 1.00 0.00 C ATOM 275 SD MET A 18 -19.949 -1.210 -11.550 1.00 0.00 S ATOM 276 CE MET A 18 -20.641 -0.337 -12.977 1.00 0.00 C ATOM 0 H MET A 18 -17.842 -4.733 -13.841 1.00 0.00 H new ATOM 0 HA MET A 18 -20.703 -4.732 -13.716 1.00 0.00 H new ATOM 0 HB2 MET A 18 -18.443 -2.755 -13.808 1.00 0.00 H new ATOM 0 HB3 MET A 18 -20.035 -2.179 -14.263 1.00 0.00 H new ATOM 0 HG2 MET A 18 -20.892 -3.341 -12.108 1.00 0.00 H new ATOM 0 HG3 MET A 18 -19.208 -3.486 -11.646 1.00 0.00 H new ATOM 0 HE1 MET A 18 -21.145 0.569 -12.640 1.00 0.00 H new ATOM 0 HE2 MET A 18 -19.839 -0.072 -13.665 1.00 0.00 H new ATOM 0 HE3 MET A 18 -21.357 -0.982 -13.486 1.00 0.00 H new ATOM 656 N THR B 103 -7.492 -4.020 5.858 1.00 0.00 N ATOM 657 CA THR B 103 -7.904 -4.083 4.470 1.00 0.00 C ATOM 658 C THR B 103 -8.929 -2.995 4.183 1.00 0.00 C ATOM 659 O THR B 103 -8.960 -2.439 3.087 1.00 0.00 O ATOM 660 CB THR B 103 -8.485 -5.463 4.175 1.00 0.00 C ATOM 661 OG1 THR B 103 -8.935 -5.508 2.839 1.00 0.00 O ATOM 662 CG2 THR B 103 -9.656 -5.734 5.115 1.00 0.00 C ATOM 0 HA THR B 103 -7.041 -3.919 3.824 1.00 0.00 H new ATOM 0 HB THR B 103 -7.716 -6.220 4.325 1.00 0.00 H new ATOM 0 HG1 THR B 103 -9.907 -5.384 2.817 1.00 0.00 H new ATOM 0 HG21 THR B 103 -10.071 -6.720 4.904 1.00 0.00 H new ATOM 0 HG22 THR B 103 -9.309 -5.699 6.148 1.00 0.00 H new ATOM 0 HG23 THR B 103 -10.426 -4.977 4.965 1.00 0.00 H new ATOM 670 N ASN B 104 -9.769 -2.691 5.174 1.00 0.00 N ATOM 671 CA ASN B 104 -10.789 -1.672 5.025 1.00 0.00 C ATOM 672 C ASN B 104 -10.209 -0.458 4.314 1.00 0.00 C ATOM 673 O ASN B 104 -10.775 0.022 3.334 1.00 0.00 O ATOM 674 CB ASN B 104 -11.326 -1.287 6.401 1.00 0.00 C ATOM 675 CG ASN B 104 -11.884 0.129 6.389 1.00 0.00 C ATOM 676 OD1 ASN B 104 -11.173 1.080 6.707 1.00 0.00 O ATOM 677 ND2 ASN B 104 -13.159 0.268 6.020 1.00 0.00 N ATOM 0 H ASN B 104 -9.756 -3.142 6.089 1.00 0.00 H new ATOM 0 HA ASN B 104 -11.610 -2.061 4.423 1.00 0.00 H new ATOM 0 HB2 ASN B 104 -12.106 -1.987 6.700 1.00 0.00 H new ATOM 0 HB3 ASN B 104 -10.529 -1.362 7.141 1.00 0.00 H new ATOM 0 HD21 ASN B 104 -13.584 1.195 5.993 1.00 0.00 H new ATOM 0 HD22 ASN B 104 -13.708 -0.553 5.765 1.00 0.00 H new ATOM 684 N LEU B 105 -9.073 0.039 4.811 1.00 0.00 N ATOM 685 CA LEU B 105 -8.421 1.192 4.225 1.00 0.00 C ATOM 686 C LEU B 105 -8.431 1.075 2.707 1.00 0.00 C ATOM 687 O LEU B 105 -8.793 2.021 2.011 1.00 0.00 O ATOM 688 CB LEU B 105 -6.991 1.289 4.749 1.00 0.00 C ATOM 689 CG LEU B 105 -6.973 2.129 6.023 1.00 0.00 C ATOM 690 CD1 LEU B 105 -5.535 2.285 6.508 1.00 0.00 C ATOM 691 CD2 LEU B 105 -7.565 3.505 5.733 1.00 0.00 C ATOM 0 H LEU B 105 -8.591 -0.348 5.622 1.00 0.00 H new ATOM 0 HA LEU B 105 -8.959 2.098 4.504 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -6.598 0.293 4.952 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -6.345 1.739 3.995 1.00 0.00 H new ATOM 0 HG LEU B 105 -7.565 1.635 6.793 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -5.521 2.885 7.418 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -5.112 1.302 6.715 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -4.943 2.780 5.738 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -7.552 4.106 6.643 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -6.974 4.000 4.963 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -8.592 3.393 5.386 1.00 0.00 H new ATOM 703 N GLU B 106 -8.033 -0.092 2.195 1.00 0.00 N ATOM 704 CA GLU B 106 -8.000 -0.325 0.765 1.00 0.00 C ATOM 705 C GLU B 106 -9.412 -0.271 0.198 1.00 0.00 C ATOM 706 O GLU B 106 -9.610 0.135 -0.945 1.00 0.00 O ATOM 707 CB GLU B 106 -7.357 -1.681 0.487 1.00 0.00 C ATOM 708 CG GLU B 106 -5.874 -1.622 0.838 1.00 0.00 C ATOM 709 CD GLU B 106 -5.670 -1.082 2.246 1.00 0.00 C ATOM 710 OE1 GLU B 106 -5.247 0.089 2.349 1.00 0.00 O ATOM 711 OE2 GLU B 106 -5.941 -1.852 3.193 1.00 0.00 O ATOM 0 H GLU B 106 -7.730 -0.887 2.758 1.00 0.00 H new ATOM 0 HA GLU B 106 -7.407 0.451 0.281 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -7.850 -2.456 1.074 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -7.483 -1.947 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -5.438 -2.618 0.759 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -5.352 -0.988 0.122 1.00 0.00 H new ATOM 719 N ILE B 107 -10.395 -0.683 1.002 1.00 0.00 N ATOM 720 CA ILE B 107 -11.782 -0.679 0.582 1.00 0.00 C ATOM 721 C ILE B 107 -12.244 0.752 0.345 1.00 0.00 C ATOM 722 O ILE B 107 -13.115 0.994 -0.487 1.00 0.00 O ATOM 723 CB ILE B 107 -12.638 -1.355 1.650 1.00 0.00 C ATOM 724 CG1 ILE B 107 -11.988 -2.671 2.066 1.00 0.00 C ATOM 725 CG2 ILE B 107 -14.029 -1.630 1.086 1.00 0.00 C ATOM 726 CD1 ILE B 107 -13.009 -3.532 2.804 1.00 0.00 C ATOM 0 H ILE B 107 -10.246 -1.024 1.952 1.00 0.00 H new ATOM 0 HA ILE B 107 -11.886 -1.232 -0.351 1.00 0.00 H new ATOM 0 HB ILE B 107 -12.720 -0.701 2.518 1.00 0.00 H new ATOM 0 HG12 ILE B 107 -11.618 -3.200 1.188 1.00 0.00 H new ATOM 0 HG13 ILE B 107 -11.128 -2.477 2.707 1.00 0.00 H new ATOM 0 HG21 ILE B 107 -14.641 -2.113 1.848 1.00 0.00 H new ATOM 0 HG22 ILE B 107 -14.494 -0.690 0.789 1.00 0.00 H new ATOM 0 HG23 ILE B 107 -13.947 -2.284 0.218 1.00 0.00 H new ATOM 0 HD11 ILE B 107 -12.545 -4.472 3.101 1.00 0.00 H new ATOM 0 HD12 ILE B 107 -13.358 -3.003 3.691 1.00 0.00 H new ATOM 0 HD13 ILE B 107 -13.855 -3.736 2.148 1.00 0.00 H new ATOM 738 N ILE B 108 -11.656 1.700 1.078 1.00 0.00 N ATOM 739 CA ILE B 108 -12.008 3.100 0.944 1.00 0.00 C ATOM 740 C ILE B 108 -11.369 3.673 -0.313 1.00 0.00 C ATOM 741 O ILE B 108 -12.010 4.414 -1.054 1.00 0.00 O ATOM 742 CB ILE B 108 -11.543 3.861 2.182 1.00 0.00 C ATOM 743 CG1 ILE B 108 -12.301 3.354 3.406 1.00 0.00 C ATOM 744 CG2 ILE B 108 -11.817 5.351 1.996 1.00 0.00 C ATOM 745 CD1 ILE B 108 -11.542 3.741 4.672 1.00 0.00 C ATOM 0 H ILE B 108 -10.931 1.514 1.771 1.00 0.00 H new ATOM 0 HA ILE B 108 -13.090 3.201 0.857 1.00 0.00 H new ATOM 0 HB ILE B 108 -10.474 3.703 2.325 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -13.305 3.779 3.427 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -12.414 2.271 3.354 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -11.485 5.895 2.880 1.00 0.00 H new ATOM 0 HG22 ILE B 108 -11.276 5.714 1.122 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -12.886 5.509 1.853 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -12.084 3.379 5.546 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -10.548 3.295 4.651 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -11.452 4.826 4.725 1.00 0.00 H new ATOM 757 N ILE B 109 -10.102 3.327 -0.553 1.00 0.00 N ATOM 758 CA ILE B 109 -9.383 3.805 -1.717 1.00 0.00 C ATOM 759 C ILE B 109 -9.841 3.043 -2.953 1.00 0.00 C ATOM 760 O ILE B 109 -9.719 3.539 -4.071 1.00 0.00 O ATOM 761 CB ILE B 109 -7.884 3.628 -1.497 1.00 0.00 C ATOM 762 CG1 ILE B 109 -7.389 4.669 -0.497 1.00 0.00 C ATOM 763 CG2 ILE B 109 -7.150 3.808 -2.823 1.00 0.00 C ATOM 764 CD1 ILE B 109 -5.871 4.578 -0.375 1.00 0.00 C ATOM 0 H ILE B 109 -9.557 2.713 0.053 1.00 0.00 H new ATOM 0 HA ILE B 109 -9.591 4.864 -1.869 1.00 0.00 H new ATOM 0 HB ILE B 109 -7.690 2.629 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -7.679 5.668 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -7.853 4.504 0.475 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -6.079 3.682 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -7.502 3.064 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -7.344 4.807 -3.214 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -5.518 5.322 0.339 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -5.593 3.582 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -5.416 4.765 -1.348 1.00 0.00 H new ATOM 776 N LEU B 110 -10.370 1.834 -2.750 1.00 0.00 N ATOM 777 CA LEU B 110 -10.844 1.012 -3.846 1.00 0.00 C ATOM 778 C LEU B 110 -12.280 1.383 -4.187 1.00 0.00 C ATOM 779 O LEU B 110 -12.601 1.632 -5.347 1.00 0.00 O ATOM 780 CB LEU B 110 -10.744 -0.460 -3.456 1.00 0.00 C ATOM 781 CG LEU B 110 -9.294 -0.920 -3.574 1.00 0.00 C ATOM 782 CD1 LEU B 110 -9.227 -2.436 -3.416 1.00 0.00 C ATOM 783 CD2 LEU B 110 -8.745 -0.526 -4.942 1.00 0.00 C ATOM 0 H LEU B 110 -10.477 1.409 -1.829 1.00 0.00 H new ATOM 0 HA LEU B 110 -10.227 1.184 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -11.100 -0.602 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -11.382 -1.063 -4.103 1.00 0.00 H new ATOM 0 HG LEU B 110 -8.698 -0.447 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -8.191 -2.765 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -9.619 -2.718 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -9.823 -2.910 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -7.709 -0.854 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -9.341 -0.999 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -8.793 0.557 -5.055 1.00 0.00 H new ATOM 795 N GLU B 111 -13.145 1.421 -3.172 1.00 0.00 N ATOM 796 CA GLU B 111 -14.539 1.762 -3.371 1.00 0.00 C ATOM 797 C GLU B 111 -14.650 3.133 -4.024 1.00 0.00 C ATOM 798 O GLU B 111 -15.480 3.340 -4.907 1.00 0.00 O ATOM 799 CB GLU B 111 -15.263 1.743 -2.027 1.00 0.00 C ATOM 800 CG GLU B 111 -15.433 0.300 -1.562 1.00 0.00 C ATOM 801 CD GLU B 111 -16.544 -0.394 -2.337 1.00 0.00 C ATOM 802 OE1 GLU B 111 -17.391 0.338 -2.893 1.00 0.00 O ATOM 803 OE2 GLU B 111 -16.526 -1.644 -2.358 1.00 0.00 O ATOM 0 H GLU B 111 -12.896 1.218 -2.204 1.00 0.00 H new ATOM 0 HA GLU B 111 -15.004 1.030 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -14.696 2.310 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -16.237 2.224 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.497 -0.242 -1.697 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -15.662 0.282 -0.496 1.00 0.00 H new ATOM 811 N GLY B 112 -13.809 4.072 -3.586 1.00 0.00 N ATOM 812 CA GLY B 112 -13.818 5.415 -4.130 1.00 0.00 C ATOM 813 C GLY B 112 -13.209 5.423 -5.525 1.00 0.00 C ATOM 814 O GLY B 112 -13.841 5.868 -6.481 1.00 0.00 O ATOM 0 H GLY B 112 -13.115 3.918 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -14.840 5.792 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -13.257 6.083 -3.477 1.00 0.00 H new ATOM 818 N THR B 113 -11.975 4.928 -5.640 1.00 0.00 N ATOM 819 CA THR B 113 -11.290 4.880 -6.916 1.00 0.00 C ATOM 820 C THR B 113 -12.110 4.078 -7.916 1.00 0.00 C ATOM 821 O THR B 113 -11.987 4.271 -9.124 1.00 0.00 O ATOM 822 CB THR B 113 -9.909 4.259 -6.728 1.00 0.00 C ATOM 823 OG1 THR B 113 -9.091 5.144 -5.998 1.00 0.00 O ATOM 824 CG2 THR B 113 -9.280 3.993 -8.093 1.00 0.00 C ATOM 0 H THR B 113 -11.436 4.556 -4.858 1.00 0.00 H new ATOM 0 HA THR B 113 -11.170 5.891 -7.305 1.00 0.00 H new ATOM 0 HB THR B 113 -10.005 3.320 -6.183 1.00 0.00 H new ATOM 0 HG1 THR B 113 -8.973 4.804 -5.087 1.00 0.00 H new ATOM 0 HG21 THR B 113 -8.293 3.549 -7.959 1.00 0.00 H new ATOM 0 HG22 THR B 113 -9.912 3.308 -8.658 1.00 0.00 H new ATOM 0 HG23 THR B 113 -9.185 4.932 -8.639 1.00 0.00 H new ATOM 832 N ALA B 114 -12.951 3.174 -7.408 1.00 0.00 N ATOM 833 CA ALA B 114 -13.787 2.346 -8.255 1.00 0.00 C ATOM 834 C ALA B 114 -14.869 3.199 -8.902 1.00 0.00 C ATOM 835 O ALA B 114 -14.916 3.324 -10.123 1.00 0.00 O ATOM 836 CB ALA B 114 -14.405 1.228 -7.420 1.00 0.00 C ATOM 0 H ALA B 114 -13.065 3.003 -6.409 1.00 0.00 H new ATOM 0 HA ALA B 114 -13.184 1.900 -9.045 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -15.034 0.604 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -13.613 0.619 -6.984 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -15.010 1.661 -6.623 1.00 0.00 H new ATOM 842 N VAL B 115 -15.741 3.785 -8.078 1.00 0.00 N ATOM 843 CA VAL B 115 -16.816 4.621 -8.572 1.00 0.00 C ATOM 844 C VAL B 115 -16.244 5.900 -9.165 1.00 0.00 C ATOM 845 O VAL B 115 -16.898 6.561 -9.968 1.00 0.00 O ATOM 846 CB VAL B 115 -17.779 4.937 -7.430 1.00 0.00 C ATOM 847 CG1 VAL B 115 -19.109 5.417 -8.004 1.00 0.00 C ATOM 848 CG2 VAL B 115 -18.009 3.680 -6.596 1.00 0.00 C ATOM 0 H VAL B 115 -15.716 3.690 -7.063 1.00 0.00 H new ATOM 0 HA VAL B 115 -17.362 4.094 -9.355 1.00 0.00 H new ATOM 0 HB VAL B 115 -17.352 5.718 -6.800 1.00 0.00 H new ATOM 0 HG11 VAL B 115 -19.797 5.643 -7.189 1.00 0.00 H new ATOM 0 HG12 VAL B 115 -18.945 6.315 -8.600 1.00 0.00 H new ATOM 0 HG13 VAL B 115 -19.536 4.637 -8.634 1.00 0.00 H new ATOM 0 HG21 VAL B 115 -18.696 3.905 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL B 115 -18.436 2.899 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL B 115 -17.059 3.337 -6.186 1.00 0.00 H new ATOM 858 N ILE B 116 -15.018 6.248 -8.767 1.00 0.00 N ATOM 859 CA ILE B 116 -14.362 7.443 -9.260 1.00 0.00 C ATOM 860 C ILE B 116 -13.781 7.178 -10.641 1.00 0.00 C ATOM 861 O ILE B 116 -14.216 7.774 -11.624 1.00 0.00 O ATOM 862 CB ILE B 116 -13.267 7.862 -8.283 1.00 0.00 C ATOM 863 CG1 ILE B 116 -13.902 8.475 -7.038 1.00 0.00 C ATOM 864 CG2 ILE B 116 -12.357 8.890 -8.949 1.00 0.00 C ATOM 865 CD1 ILE B 116 -12.897 8.454 -5.890 1.00 0.00 C ATOM 0 H ILE B 116 -14.464 5.710 -8.101 1.00 0.00 H new ATOM 0 HA ILE B 116 -15.086 8.254 -9.341 1.00 0.00 H new ATOM 0 HB ILE B 116 -12.681 6.988 -7.998 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.214 9.499 -7.243 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -14.797 7.918 -6.762 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -11.575 9.190 -8.251 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -11.903 8.452 -9.838 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -12.943 9.764 -9.234 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -13.351 8.892 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -12.606 7.425 -5.680 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -12.015 9.030 -6.168 1.00 0.00 H new ATOM 877 N ALA B 117 -12.795 6.281 -10.715 1.00 0.00 N ATOM 878 CA ALA B 117 -12.160 5.944 -11.973 1.00 0.00 C ATOM 879 C ALA B 117 -13.216 5.531 -12.989 1.00 0.00 C ATOM 880 O ALA B 117 -13.022 5.694 -14.191 1.00 0.00 O ATOM 881 CB ALA B 117 -11.155 4.818 -11.749 1.00 0.00 C ATOM 0 H ALA B 117 -12.424 5.778 -9.909 1.00 0.00 H new ATOM 0 HA ALA B 117 -11.630 6.813 -12.362 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -10.677 4.564 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -10.398 5.143 -11.035 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -11.672 3.942 -11.357 1.00 0.00 H new ATOM 887 N MET B 118 -14.337 4.994 -12.501 1.00 0.00 N ATOM 888 CA MET B 118 -15.414 4.560 -13.368 1.00 0.00 C ATOM 889 C MET B 118 -16.139 5.770 -13.939 1.00 0.00 C ATOM 890 O MET B 118 -16.191 5.952 -15.153 1.00 0.00 O ATOM 891 CB MET B 118 -16.375 3.676 -12.579 1.00 0.00 C ATOM 892 CG MET B 118 -15.859 2.240 -12.574 1.00 0.00 C ATOM 893 SD MET B 118 -16.949 1.070 -11.726 1.00 0.00 S ATOM 894 CE MET B 118 -18.549 1.800 -12.157 1.00 0.00 C ATOM 0 H MET B 118 -14.514 4.853 -11.506 1.00 0.00 H new ATOM 0 HA MET B 118 -15.007 3.982 -14.198 1.00 0.00 H new ATOM 0 HB2 MET B 118 -16.468 4.044 -11.557 1.00 0.00 H new ATOM 0 HB3 MET B 118 -17.369 3.715 -13.024 1.00 0.00 H new ATOM 0 HG2 MET B 118 -15.720 1.911 -13.604 1.00 0.00 H new ATOM 0 HG3 MET B 118 -14.879 2.218 -12.098 1.00 0.00 H new ATOM 0 HE1 MET B 118 -19.351 1.142 -11.823 1.00 0.00 H new ATOM 0 HE2 MET B 118 -18.650 2.770 -11.670 1.00 0.00 H new ATOM 0 HE3 MET B 118 -18.611 1.929 -13.238 1.00 0.00 H new ATOM 1274 N THR C 203 -6.387 -12.259 -0.414 1.00 0.00 N ATOM 1275 CA THR C 203 -6.886 -10.988 -0.900 1.00 0.00 C ATOM 1276 C THR C 203 -8.226 -11.189 -1.593 1.00 0.00 C ATOM 1277 O THR C 203 -9.101 -10.329 -1.522 1.00 0.00 O ATOM 1278 CB THR C 203 -5.868 -10.376 -1.858 1.00 0.00 C ATOM 1279 OG1 THR C 203 -6.376 -9.165 -2.372 1.00 0.00 O ATOM 1280 CG2 THR C 203 -5.604 -11.345 -3.007 1.00 0.00 C ATOM 0 HA THR C 203 -7.033 -10.307 -0.062 1.00 0.00 H new ATOM 0 HB THR C 203 -4.937 -10.183 -1.325 1.00 0.00 H new ATOM 0 HG1 THR C 203 -6.877 -9.344 -3.195 1.00 0.00 H new ATOM 0 HG21 THR C 203 -4.877 -10.908 -3.692 1.00 0.00 H new ATOM 0 HG22 THR C 203 -5.212 -12.282 -2.610 1.00 0.00 H new ATOM 0 HG23 THR C 203 -6.534 -11.538 -3.541 1.00 0.00 H new ATOM 1288 N ASN C 204 -8.385 -12.331 -2.266 1.00 0.00 N ATOM 1289 CA ASN C 204 -9.615 -12.639 -2.967 1.00 0.00 C ATOM 1290 C ASN C 204 -10.811 -12.255 -2.108 1.00 0.00 C ATOM 1291 O ASN C 204 -11.711 -11.555 -2.568 1.00 0.00 O ATOM 1292 CB ASN C 204 -9.647 -14.127 -3.304 1.00 0.00 C ATOM 1293 CG ASN C 204 -11.080 -14.622 -3.443 1.00 0.00 C ATOM 1294 OD1 ASN C 204 -11.666 -15.108 -2.478 1.00 0.00 O ATOM 1295 ND2 ASN C 204 -11.643 -14.495 -4.646 1.00 0.00 N ATOM 0 H ASN C 204 -7.669 -13.054 -2.335 1.00 0.00 H new ATOM 0 HA ASN C 204 -9.662 -12.067 -3.894 1.00 0.00 H new ATOM 0 HB2 ASN C 204 -9.105 -14.305 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN C 204 -9.137 -14.692 -2.524 1.00 0.00 H new ATOM 0 HD21 ASN C 204 -12.602 -14.808 -4.796 1.00 0.00 H new ATOM 0 HD22 ASN C 204 -11.114 -14.085 -5.416 1.00 0.00 H new ATOM 1302 N LEU C 205 -10.819 -12.716 -0.855 1.00 0.00 N ATOM 1303 CA LEU C 205 -11.901 -12.420 0.062 1.00 0.00 C ATOM 1304 C LEU C 205 -12.295 -10.954 -0.059 1.00 0.00 C ATOM 1305 O LEU C 205 -13.476 -10.634 -0.179 1.00 0.00 O ATOM 1306 CB LEU C 205 -11.463 -12.745 1.487 1.00 0.00 C ATOM 1307 CG LEU C 205 -11.805 -14.197 1.805 1.00 0.00 C ATOM 1308 CD1 LEU C 205 -11.433 -14.502 3.253 1.00 0.00 C ATOM 1309 CD2 LEU C 205 -13.301 -14.423 1.606 1.00 0.00 C ATOM 0 H LEU C 205 -10.081 -13.298 -0.459 1.00 0.00 H new ATOM 0 HA LEU C 205 -12.769 -13.031 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU C 205 -10.391 -12.580 1.596 1.00 0.00 H new ATOM 0 HB3 LEU C 205 -11.961 -12.080 2.193 1.00 0.00 H new ATOM 0 HG LEU C 205 -11.246 -14.856 1.140 1.00 0.00 H new ATOM 0 HD11 LEU C 205 -11.677 -15.540 3.481 1.00 0.00 H new ATOM 0 HD12 LEU C 205 -10.364 -14.341 3.396 1.00 0.00 H new ATOM 0 HD13 LEU C 205 -11.991 -13.843 3.919 1.00 0.00 H new ATOM 0 HD21 LEU C 205 -13.546 -15.461 1.833 1.00 0.00 H new ATOM 0 HD22 LEU C 205 -13.860 -13.764 2.271 1.00 0.00 H new ATOM 0 HD23 LEU C 205 -13.567 -14.206 0.572 1.00 0.00 H new ATOM 1321 N GLU C 206 -11.302 -10.063 -0.028 1.00 0.00 N ATOM 1322 CA GLU C 206 -11.551 -8.640 -0.136 1.00 0.00 C ATOM 1323 C GLU C 206 -12.131 -8.316 -1.506 1.00 0.00 C ATOM 1324 O GLU C 206 -12.919 -7.384 -1.646 1.00 0.00 O ATOM 1325 CB GLU C 206 -10.248 -7.878 0.093 1.00 0.00 C ATOM 1326 CG GLU C 206 -9.828 -8.017 1.554 1.00 0.00 C ATOM 1327 CD GLU C 206 -9.817 -9.478 1.979 1.00 0.00 C ATOM 1328 OE1 GLU C 206 -10.751 -9.861 2.716 1.00 0.00 O ATOM 1329 OE2 GLU C 206 -8.875 -10.184 1.560 1.00 0.00 O ATOM 0 H GLU C 206 -10.318 -10.311 0.072 1.00 0.00 H new ATOM 0 HA GLU C 206 -12.274 -8.337 0.621 1.00 0.00 H new ATOM 0 HB2 GLU C 206 -9.467 -8.267 -0.560 1.00 0.00 H new ATOM 0 HB3 GLU C 206 -10.380 -6.826 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU C 206 -8.837 -7.586 1.694 1.00 0.00 H new ATOM 0 HG3 GLU C 206 -10.513 -7.455 2.189 1.00 0.00 H new ATOM 1337 N ILE C 207 -11.737 -9.092 -2.519 1.00 0.00 N ATOM 1338 CA ILE C 207 -12.218 -8.890 -3.871 1.00 0.00 C ATOM 1339 C ILE C 207 -13.716 -9.157 -3.930 1.00 0.00 C ATOM 1340 O ILE C 207 -14.423 -8.559 -4.738 1.00 0.00 O ATOM 1341 CB ILE C 207 -11.465 -9.816 -4.822 1.00 0.00 C ATOM 1342 CG1 ILE C 207 -9.967 -9.719 -4.547 1.00 0.00 C ATOM 1343 CG2 ILE C 207 -11.746 -9.401 -6.263 1.00 0.00 C ATOM 1344 CD1 ILE C 207 -9.195 -10.305 -5.725 1.00 0.00 C ATOM 0 H ILE C 207 -11.082 -9.868 -2.418 1.00 0.00 H new ATOM 0 HA ILE C 207 -12.041 -7.858 -4.174 1.00 0.00 H new ATOM 0 HB ILE C 207 -11.796 -10.843 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE C 207 -9.681 -8.678 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE C 207 -9.719 -10.257 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE C 207 -11.209 -10.062 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE C 207 -12.816 -9.470 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE C 207 -11.414 -8.374 -6.417 1.00 0.00 H new ATOM 0 HD11 ILE C 207 -8.125 -10.236 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE C 207 -9.473 -11.351 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE C 207 -9.435 -9.748 -6.631 1.00 0.00 H new ATOM 1356 N ILE C 208 -14.198 -10.058 -3.071 1.00 0.00 N ATOM 1357 CA ILE C 208 -15.606 -10.399 -3.028 1.00 0.00 C ATOM 1358 C ILE C 208 -16.380 -9.297 -2.318 1.00 0.00 C ATOM 1359 O ILE C 208 -17.461 -8.913 -2.759 1.00 0.00 O ATOM 1360 CB ILE C 208 -15.784 -11.734 -2.312 1.00 0.00 C ATOM 1361 CG1 ILE C 208 -15.107 -12.839 -3.118 1.00 0.00 C ATOM 1362 CG2 ILE C 208 -17.272 -12.043 -2.174 1.00 0.00 C ATOM 1363 CD1 ILE C 208 -14.856 -14.045 -2.218 1.00 0.00 C ATOM 0 H ILE C 208 -13.624 -10.562 -2.396 1.00 0.00 H new ATOM 0 HA ILE C 208 -15.994 -10.493 -4.042 1.00 0.00 H new ATOM 0 HB ILE C 208 -15.331 -11.678 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE C 208 -15.735 -13.126 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE C 208 -14.165 -12.478 -3.531 1.00 0.00 H new ATOM 0 HG21 ILE C 208 -17.400 -12.997 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE C 208 -17.755 -11.254 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE C 208 -17.725 -12.099 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE C 208 -14.372 -14.834 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE C 208 -14.211 -13.753 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE C 208 -15.805 -14.411 -1.827 1.00 0.00 H new ATOM 1375 N ILE C 209 -15.825 -8.790 -1.215 1.00 0.00 N ATOM 1376 CA ILE C 209 -16.463 -7.737 -0.450 1.00 0.00 C ATOM 1377 C ILE C 209 -16.288 -6.404 -1.165 1.00 0.00 C ATOM 1378 O ILE C 209 -17.077 -5.483 -0.968 1.00 0.00 O ATOM 1379 CB ILE C 209 -15.856 -7.685 0.949 1.00 0.00 C ATOM 1380 CG1 ILE C 209 -16.355 -8.874 1.765 1.00 0.00 C ATOM 1381 CG2 ILE C 209 -16.271 -6.387 1.635 1.00 0.00 C ATOM 1382 CD1 ILE C 209 -15.855 -8.751 3.201 1.00 0.00 C ATOM 0 H ILE C 209 -14.930 -9.099 -0.837 1.00 0.00 H new ATOM 0 HA ILE C 209 -17.530 -7.942 -0.360 1.00 0.00 H new ATOM 0 HB ILE C 209 -14.769 -7.726 0.875 1.00 0.00 H new ATOM 0 HG12 ILE C 209 -17.444 -8.908 1.750 1.00 0.00 H new ATOM 0 HG13 ILE C 209 -16.001 -9.806 1.324 1.00 0.00 H new ATOM 0 HG21 ILE C 209 -15.838 -6.349 2.634 1.00 0.00 H new ATOM 0 HG22 ILE C 209 -15.914 -5.537 1.052 1.00 0.00 H new ATOM 0 HG23 ILE C 209 -17.358 -6.346 1.709 1.00 0.00 H new ATOM 0 HD11 ILE C 209 -16.211 -9.600 3.784 1.00 0.00 H new ATOM 0 HD12 ILE C 209 -14.765 -8.738 3.207 1.00 0.00 H new ATOM 0 HD13 ILE C 209 -16.231 -7.827 3.639 1.00 0.00 H new ATOM 1394 N LEU C 210 -15.249 -6.303 -1.998 1.00 0.00 N ATOM 1395 CA LEU C 210 -14.976 -5.086 -2.736 1.00 0.00 C ATOM 1396 C LEU C 210 -15.780 -5.075 -4.028 1.00 0.00 C ATOM 1397 O LEU C 210 -16.491 -4.113 -4.313 1.00 0.00 O ATOM 1398 CB LEU C 210 -13.481 -4.994 -3.029 1.00 0.00 C ATOM 1399 CG LEU C 210 -12.744 -4.542 -1.772 1.00 0.00 C ATOM 1400 CD1 LEU C 210 -11.291 -4.229 -2.119 1.00 0.00 C ATOM 1401 CD2 LEU C 210 -13.414 -3.291 -1.211 1.00 0.00 C ATOM 0 H LEU C 210 -14.586 -7.058 -2.173 1.00 0.00 H new ATOM 0 HA LEU C 210 -15.270 -4.222 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU C 210 -13.103 -5.963 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU C 210 -13.301 -4.290 -3.842 1.00 0.00 H new ATOM 0 HG LEU C 210 -12.777 -5.337 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU C 210 -10.764 -3.906 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU C 210 -10.812 -5.122 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU C 210 -11.258 -3.435 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU C 210 -12.888 -2.968 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU C 210 -13.382 -2.496 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU C 210 -14.452 -3.514 -0.963 1.00 0.00 H new ATOM 1413 N GLU C 211 -15.667 -6.149 -4.813 1.00 0.00 N ATOM 1414 CA GLU C 211 -16.384 -6.256 -6.068 1.00 0.00 C ATOM 1415 C GLU C 211 -17.878 -6.094 -5.827 1.00 0.00 C ATOM 1416 O GLU C 211 -18.570 -5.440 -6.605 1.00 0.00 O ATOM 1417 CB GLU C 211 -16.083 -7.607 -6.710 1.00 0.00 C ATOM 1418 CG GLU C 211 -14.641 -7.623 -7.209 1.00 0.00 C ATOM 1419 CD GLU C 211 -14.499 -6.806 -8.486 1.00 0.00 C ATOM 1420 OE1 GLU C 211 -15.539 -6.605 -9.149 1.00 0.00 O ATOM 1421 OE2 GLU C 211 -13.353 -6.399 -8.774 1.00 0.00 O ATOM 0 H GLU C 211 -15.082 -6.955 -4.593 1.00 0.00 H new ATOM 0 HA GLU C 211 -16.059 -5.465 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU C 211 -16.238 -8.408 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU C 211 -16.768 -7.789 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU C 211 -13.981 -7.221 -6.440 1.00 0.00 H new ATOM 0 HG3 GLU C 211 -14.327 -8.650 -7.393 1.00 0.00 H new ATOM 1429 N GLY C 212 -18.377 -6.693 -4.743 1.00 0.00 N ATOM 1430 CA GLY C 212 -19.784 -6.611 -4.407 1.00 0.00 C ATOM 1431 C GLY C 212 -20.124 -5.218 -3.897 1.00 0.00 C ATOM 1432 O GLY C 212 -21.009 -4.554 -4.432 1.00 0.00 O ATOM 0 H GLY C 212 -17.819 -7.239 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY C 212 -20.389 -6.842 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY C 212 -20.027 -7.354 -3.647 1.00 0.00 H new ATOM 1436 N THR C 213 -19.416 -4.775 -2.855 1.00 0.00 N ATOM 1437 CA THR C 213 -19.646 -3.466 -2.279 1.00 0.00 C ATOM 1438 C THR C 213 -19.466 -2.392 -3.343 1.00 0.00 C ATOM 1439 O THR C 213 -20.032 -1.307 -3.238 1.00 0.00 O ATOM 1440 CB THR C 213 -18.681 -3.244 -1.119 1.00 0.00 C ATOM 1441 OG1 THR C 213 -19.039 -4.082 -0.043 1.00 0.00 O ATOM 1442 CG2 THR C 213 -18.747 -1.787 -0.672 1.00 0.00 C ATOM 0 H THR C 213 -18.679 -5.312 -2.398 1.00 0.00 H new ATOM 0 HA THR C 213 -20.667 -3.407 -1.902 1.00 0.00 H new ATOM 0 HB THR C 213 -17.667 -3.479 -1.441 1.00 0.00 H new ATOM 0 HG1 THR C 213 -18.548 -4.928 -0.109 1.00 0.00 H new ATOM 0 HG21 THR C 213 -18.057 -1.629 0.157 1.00 0.00 H new ATOM 0 HG22 THR C 213 -18.470 -1.139 -1.503 1.00 0.00 H new ATOM 0 HG23 THR C 213 -19.761 -1.551 -0.350 1.00 0.00 H new ATOM 1450 N ALA C 214 -18.671 -2.700 -4.371 1.00 0.00 N ATOM 1451 CA ALA C 214 -18.417 -1.764 -5.447 1.00 0.00 C ATOM 1452 C ALA C 214 -19.680 -1.576 -6.276 1.00 0.00 C ATOM 1453 O ALA C 214 -20.228 -0.478 -6.337 1.00 0.00 O ATOM 1454 CB ALA C 214 -17.274 -2.284 -6.314 1.00 0.00 C ATOM 0 H ALA C 214 -18.195 -3.596 -4.472 1.00 0.00 H new ATOM 0 HA ALA C 214 -18.130 -0.797 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA C 214 -17.082 -1.580 -7.124 1.00 0.00 H new ATOM 0 HB2 ALA C 214 -16.376 -2.391 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA C 214 -17.546 -3.253 -6.732 1.00 0.00 H new ATOM 1460 N VAL C 215 -20.142 -2.654 -6.915 1.00 0.00 N ATOM 1461 CA VAL C 215 -21.335 -2.604 -7.736 1.00 0.00 C ATOM 1462 C VAL C 215 -22.556 -2.378 -6.856 1.00 0.00 C ATOM 1463 O VAL C 215 -23.593 -1.925 -7.335 1.00 0.00 O ATOM 1464 CB VAL C 215 -21.467 -3.906 -8.520 1.00 0.00 C ATOM 1465 CG1 VAL C 215 -22.404 -3.694 -9.705 1.00 0.00 C ATOM 1466 CG2 VAL C 215 -20.093 -4.335 -9.028 1.00 0.00 C ATOM 0 H VAL C 215 -19.699 -3.572 -6.873 1.00 0.00 H new ATOM 0 HA VAL C 215 -21.262 -1.777 -8.442 1.00 0.00 H new ATOM 0 HB VAL C 215 -21.873 -4.682 -7.871 1.00 0.00 H new ATOM 0 HG11 VAL C 215 -22.498 -4.624 -10.265 1.00 0.00 H new ATOM 0 HG12 VAL C 215 -23.385 -3.388 -9.343 1.00 0.00 H new ATOM 0 HG13 VAL C 215 -21.999 -2.919 -10.355 1.00 0.00 H new ATOM 0 HG21 VAL C 215 -20.186 -5.265 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL C 215 -19.687 -3.560 -9.677 1.00 0.00 H new ATOM 0 HG23 VAL C 215 -19.423 -4.487 -8.182 1.00 0.00 H new ATOM 1476 N ILE C 216 -22.431 -2.695 -5.565 1.00 0.00 N ATOM 1477 CA ILE C 216 -23.520 -2.524 -4.624 1.00 0.00 C ATOM 1478 C ILE C 216 -23.644 -1.056 -4.241 1.00 0.00 C ATOM 1479 O ILE C 216 -24.651 -0.418 -4.541 1.00 0.00 O ATOM 1480 CB ILE C 216 -23.266 -3.386 -3.391 1.00 0.00 C ATOM 1481 CG1 ILE C 216 -23.560 -4.847 -3.721 1.00 0.00 C ATOM 1482 CG2 ILE C 216 -24.176 -2.928 -2.254 1.00 0.00 C ATOM 1483 CD1 ILE C 216 -22.878 -5.747 -2.695 1.00 0.00 C ATOM 0 H ILE C 216 -21.578 -3.073 -5.154 1.00 0.00 H new ATOM 0 HA ILE C 216 -24.457 -2.839 -5.084 1.00 0.00 H new ATOM 0 HB ILE C 216 -22.224 -3.285 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE C 216 -24.636 -5.023 -3.717 1.00 0.00 H new ATOM 0 HG13 ILE C 216 -23.202 -5.084 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE C 216 -23.995 -3.543 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE C 216 -23.966 -1.885 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE C 216 -25.218 -3.028 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE C 216 -23.088 -6.791 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE C 216 -21.801 -5.578 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE C 216 -23.257 -5.516 -1.699 1.00 0.00 H new ATOM 1495 N ALA C 217 -22.617 -0.521 -3.577 1.00 0.00 N ATOM 1496 CA ALA C 217 -22.617 0.866 -3.157 1.00 0.00 C ATOM 1497 C ALA C 217 -22.962 1.762 -4.338 1.00 0.00 C ATOM 1498 O ALA C 217 -23.558 2.822 -4.163 1.00 0.00 O ATOM 1499 CB ALA C 217 -21.247 1.224 -2.589 1.00 0.00 C ATOM 0 H ALA C 217 -21.775 -1.037 -3.322 1.00 0.00 H new ATOM 0 HA ALA C 217 -23.368 1.016 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA C 217 -21.246 2.267 -2.273 1.00 0.00 H new ATOM 0 HB2 ALA C 217 -21.030 0.585 -1.733 1.00 0.00 H new ATOM 0 HB3 ALA C 217 -20.486 1.076 -3.355 1.00 0.00 H new ATOM 1505 N MET C 218 -22.586 1.333 -5.545 1.00 0.00 N ATOM 1506 CA MET C 218 -22.856 2.099 -6.745 1.00 0.00 C ATOM 1507 C MET C 218 -24.344 2.056 -7.063 1.00 0.00 C ATOM 1508 O MET C 218 -25.003 3.092 -7.108 1.00 0.00 O ATOM 1509 CB MET C 218 -22.041 1.531 -7.903 1.00 0.00 C ATOM 1510 CG MET C 218 -20.691 2.240 -7.970 1.00 0.00 C ATOM 1511 SD MET C 218 -19.785 1.952 -9.511 1.00 0.00 S ATOM 1512 CE MET C 218 -21.172 1.984 -10.673 1.00 0.00 C ATOM 0 H MET C 218 -22.093 0.455 -5.708 1.00 0.00 H new ATOM 0 HA MET C 218 -22.568 3.139 -6.589 1.00 0.00 H new ATOM 0 HB2 MET C 218 -21.895 0.459 -7.768 1.00 0.00 H new ATOM 0 HB3 MET C 218 -22.580 1.663 -8.841 1.00 0.00 H new ATOM 0 HG2 MET C 218 -20.848 3.312 -7.848 1.00 0.00 H new ATOM 0 HG3 MET C 218 -20.077 1.910 -7.132 1.00 0.00 H new ATOM 0 HE1 MET C 218 -20.809 2.249 -11.666 1.00 0.00 H new ATOM 0 HE2 MET C 218 -21.640 1.000 -10.708 1.00 0.00 H new ATOM 0 HE3 MET C 218 -21.904 2.722 -10.346 1.00 0.00 H new