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 174:sc= -14.6! (180deg=-9.61!) USER MOD Set 1.2: B 118 MET CE :methyl 175:sc= -14.9! (180deg=-9.9!) USER MOD Set 1.3: C 218 MET CE :methyl 176:sc= -14.9! (180deg=-10.3!) USER MOD Single : A 3 THR OG1 : rot -90:sc= -1.07 USER MOD Single : A 4 ASN : amide:sc= -0.295 K(o=-0.3,f=-1.9!) USER MOD Single : A 13 THR OG1 : rot 112:sc= 1.15 USER MOD Single : B 103 THR OG1 : rot -98:sc= -1.09 USER MOD Single : B 104 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.8!) USER MOD Single : B 113 THR OG1 : rot 101:sc= 1.18 USER MOD Single : C 203 THR OG1 : rot -90:sc= -1.06 USER MOD Single : C 204 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.9) USER MOD Single : C 213 THR OG1 : rot 100:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 3 -1.166 -2.579 -0.873 1.00 0.00 N ATOM 39 CA THR A 3 -2.571 -2.743 -1.185 1.00 0.00 C ATOM 40 C THR A 3 -2.891 -2.066 -2.511 1.00 0.00 C ATOM 41 O THR A 3 -3.717 -2.554 -3.278 1.00 0.00 O ATOM 42 CB THR A 3 -3.413 -2.150 -0.059 1.00 0.00 C ATOM 43 OG1 THR A 3 -4.779 -2.240 -0.397 1.00 0.00 O ATOM 44 CG2 THR A 3 -3.035 -0.685 0.142 1.00 0.00 C ATOM 0 HA THR A 3 -2.804 -3.804 -1.278 1.00 0.00 H new ATOM 0 HB THR A 3 -3.229 -2.703 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 3 -5.051 -1.430 -0.877 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.636 -0.261 0.946 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.979 -0.614 0.402 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.219 -0.132 -0.779 1.00 0.00 H new ATOM 52 N ASN A 4 -2.230 -0.937 -2.778 1.00 0.00 N ATOM 53 CA ASN A 4 -2.446 -0.200 -4.007 1.00 0.00 C ATOM 54 C ASN A 4 -2.526 -1.164 -5.182 1.00 0.00 C ATOM 55 O ASN A 4 -3.459 -1.099 -5.980 1.00 0.00 O ATOM 56 CB ASN A 4 -1.309 0.799 -4.204 1.00 0.00 C ATOM 57 CG ASN A 4 -1.144 1.150 -5.676 1.00 0.00 C ATOM 58 OD1 ASN A 4 -0.528 0.399 -6.429 1.00 0.00 O ATOM 59 ND2 ASN A 4 -1.697 2.294 -6.085 1.00 0.00 N ATOM 0 H ASN A 4 -1.541 -0.520 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.388 0.346 -3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.511 1.704 -3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.380 0.379 -3.820 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.618 2.578 -7.061 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.199 2.884 -5.421 1.00 0.00 H new ATOM 66 N LEU A 5 -1.542 -2.060 -5.287 1.00 0.00 N ATOM 67 CA LEU A 5 -1.505 -3.033 -6.361 1.00 0.00 C ATOM 68 C LEU A 5 -2.894 -3.616 -6.579 1.00 0.00 C ATOM 69 O LEU A 5 -3.365 -3.698 -7.711 1.00 0.00 O ATOM 70 CB LEU A 5 -0.506 -4.133 -6.015 1.00 0.00 C ATOM 71 CG LEU A 5 0.877 -3.746 -6.533 1.00 0.00 C ATOM 72 CD1 LEU A 5 1.919 -4.706 -5.967 1.00 0.00 C ATOM 73 CD2 LEU A 5 0.888 -3.821 -8.057 1.00 0.00 C ATOM 0 H LEU A 5 -0.761 -2.125 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.188 -2.548 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.473 -4.283 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.821 -5.078 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 5 1.112 -2.729 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.907 -4.430 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.911 -4.652 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.685 -5.723 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.875 -3.545 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.653 -4.837 -8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.144 -3.134 -8.460 1.00 0.00 H new ATOM 85 N GLU A 6 -3.550 -4.021 -5.489 1.00 0.00 N ATOM 86 CA GLU A 6 -4.880 -4.591 -5.569 1.00 0.00 C ATOM 87 C GLU A 6 -5.872 -3.534 -6.034 1.00 0.00 C ATOM 88 O GLU A 6 -6.858 -3.852 -6.695 1.00 0.00 O ATOM 89 CB GLU A 6 -5.278 -5.142 -4.202 1.00 0.00 C ATOM 90 CG GLU A 6 -4.471 -6.402 -3.907 1.00 0.00 C ATOM 91 CD GLU A 6 -3.001 -6.198 -4.243 1.00 0.00 C ATOM 92 OE1 GLU A 6 -2.367 -5.381 -3.541 1.00 0.00 O ATOM 93 OE2 GLU A 6 -2.540 -6.862 -5.196 1.00 0.00 O ATOM 0 H GLU A 6 -3.174 -3.961 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.886 -5.406 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.099 -4.394 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.344 -5.368 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.574 -6.666 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.868 -7.236 -4.485 1.00 0.00 H new ATOM 101 N ILE A 7 -5.606 -2.273 -5.687 1.00 0.00 N ATOM 102 CA ILE A 7 -6.470 -1.174 -6.070 1.00 0.00 C ATOM 103 C ILE A 7 -6.476 -1.028 -7.585 1.00 0.00 C ATOM 104 O ILE A 7 -7.482 -0.629 -8.168 1.00 0.00 O ATOM 105 CB ILE A 7 -5.985 0.110 -5.403 1.00 0.00 C ATOM 106 CG1 ILE A 7 -5.757 -0.143 -3.916 1.00 0.00 C ATOM 107 CG2 ILE A 7 -7.037 1.202 -5.578 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.641 1.191 -3.185 1.00 0.00 C ATOM 0 H ILE A 7 -4.792 -1.995 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.489 -1.375 -5.741 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.050 0.428 -5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.582 -0.725 -3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.850 -0.729 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.692 2.120 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.200 1.383 -6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.972 0.884 -5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.478 1.011 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.802 1.756 -3.590 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.560 1.761 -3.320 1.00 0.00 H new ATOM 120 N ILE A 8 -5.348 -1.351 -8.223 1.00 0.00 N ATOM 121 CA ILE A 8 -5.228 -1.257 -9.664 1.00 0.00 C ATOM 122 C ILE A 8 -5.960 -2.419 -10.319 1.00 0.00 C ATOM 123 O ILE A 8 -6.676 -2.230 -11.300 1.00 0.00 O ATOM 124 CB ILE A 8 -3.752 -1.257 -10.052 1.00 0.00 C ATOM 125 CG1 ILE A 8 -3.144 0.108 -9.745 1.00 0.00 C ATOM 126 CG2 ILE A 8 -3.619 -1.550 -11.544 1.00 0.00 C ATOM 127 CD1 ILE A 8 -1.639 -0.040 -9.540 1.00 0.00 C ATOM 0 H ILE A 8 -4.505 -1.681 -7.753 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.680 -0.328 -10.011 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.227 -2.024 -9.482 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.344 0.800 -10.563 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.604 0.530 -8.851 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.565 -1.550 -11.822 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.052 -2.526 -11.763 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.144 -0.783 -12.114 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.204 0.935 -9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.450 -0.717 -8.707 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.186 -0.444 -10.446 1.00 0.00 H new ATOM 139 N ILE A 9 -5.778 -3.625 -9.774 1.00 0.00 N ATOM 140 CA ILE A 9 -6.421 -4.810 -10.305 1.00 0.00 C ATOM 141 C ILE A 9 -7.902 -4.795 -9.952 1.00 0.00 C ATOM 142 O ILE A 9 -8.714 -5.399 -10.649 1.00 0.00 O ATOM 143 CB ILE A 9 -5.742 -6.054 -9.737 1.00 0.00 C ATOM 144 CG1 ILE A 9 -4.294 -6.106 -10.216 1.00 0.00 C ATOM 145 CG2 ILE A 9 -6.482 -7.300 -10.216 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.563 -7.240 -9.501 1.00 0.00 C ATOM 0 H ILE A 9 -5.186 -3.797 -8.962 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.327 -4.824 -11.391 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.763 -6.015 -8.648 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.262 -6.261 -11.294 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.799 -5.156 -10.015 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.998 -8.189 -9.811 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.516 -7.263 -9.874 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.461 -7.340 -11.305 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.529 -7.278 -9.842 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.584 -7.065 -8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.054 -8.187 -9.724 1.00 0.00 H new ATOM 158 N LEU A 10 -8.252 -4.100 -8.867 1.00 0.00 N ATOM 159 CA LEU A 10 -9.631 -4.009 -8.429 1.00 0.00 C ATOM 160 C LEU A 10 -10.333 -2.877 -9.164 1.00 0.00 C ATOM 161 O LEU A 10 -11.482 -3.018 -9.576 1.00 0.00 O ATOM 162 CB LEU A 10 -9.670 -3.780 -6.920 1.00 0.00 C ATOM 163 CG LEU A 10 -9.378 -5.093 -6.199 1.00 0.00 C ATOM 164 CD1 LEU A 10 -9.670 -4.931 -4.710 1.00 0.00 C ATOM 165 CD2 LEU A 10 -10.262 -6.197 -6.774 1.00 0.00 C ATOM 0 H LEU A 10 -7.590 -3.593 -8.279 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.151 -4.940 -8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.936 -3.026 -6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.648 -3.400 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.330 -5.358 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.462 -5.868 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.039 -4.143 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.718 -4.666 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.054 -7.135 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.310 -5.932 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.054 -6.313 -7.838 1.00 0.00 H new ATOM 177 N GLU A 11 -9.638 -1.749 -9.329 1.00 0.00 N ATOM 178 CA GLU A 11 -10.198 -0.602 -10.014 1.00 0.00 C ATOM 179 C GLU A 11 -10.594 -0.986 -11.433 1.00 0.00 C ATOM 180 O GLU A 11 -11.684 -0.649 -11.891 1.00 0.00 O ATOM 181 CB GLU A 11 -9.175 0.531 -10.027 1.00 0.00 C ATOM 182 CG GLU A 11 -9.280 1.327 -8.729 1.00 0.00 C ATOM 183 CD GLU A 11 -10.565 2.143 -8.696 1.00 0.00 C ATOM 184 OE1 GLU A 11 -11.272 2.045 -7.670 1.00 0.00 O ATOM 185 OE2 GLU A 11 -10.814 2.849 -9.696 1.00 0.00 O ATOM 0 H GLU A 11 -8.684 -1.614 -8.993 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.091 -0.263 -9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.169 0.126 -10.137 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.351 1.184 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.254 0.647 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.420 1.990 -8.634 1.00 0.00 H new ATOM 193 N GLY A 12 -9.704 -1.696 -12.129 1.00 0.00 N ATOM 194 CA GLY A 12 -9.967 -2.122 -13.489 1.00 0.00 C ATOM 195 C GLY A 12 -10.984 -3.255 -13.500 1.00 0.00 C ATOM 196 O GLY A 12 -12.013 -3.165 -14.166 1.00 0.00 O ATOM 0 H GLY A 12 -8.796 -1.984 -11.765 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.341 -1.282 -14.074 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.041 -2.451 -13.960 1.00 0.00 H new ATOM 200 N THR A 13 -10.692 -4.325 -12.758 1.00 0.00 N ATOM 201 CA THR A 13 -11.581 -5.467 -12.687 1.00 0.00 C ATOM 202 C THR A 13 -12.970 -5.017 -12.256 1.00 0.00 C ATOM 203 O THR A 13 -13.970 -5.615 -12.647 1.00 0.00 O ATOM 204 CB THR A 13 -11.016 -6.490 -11.706 1.00 0.00 C ATOM 205 OG1 THR A 13 -9.847 -7.064 -12.247 1.00 0.00 O ATOM 206 CG2 THR A 13 -12.051 -7.583 -11.457 1.00 0.00 C ATOM 0 H THR A 13 -9.843 -4.416 -12.200 1.00 0.00 H new ATOM 0 HA THR A 13 -11.661 -5.930 -13.670 1.00 0.00 H new ATOM 0 HB THR A 13 -10.776 -5.996 -10.764 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.069 -6.776 -11.725 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.647 -8.314 -10.756 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.955 -7.140 -11.039 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.292 -8.077 -12.398 1.00 0.00 H new ATOM 214 N ALA A 14 -13.028 -3.957 -11.445 1.00 0.00 N ATOM 215 CA ALA A 14 -14.290 -3.432 -10.964 1.00 0.00 C ATOM 216 C ALA A 14 -15.086 -2.857 -12.126 1.00 0.00 C ATOM 217 O ALA A 14 -16.168 -3.346 -12.442 1.00 0.00 O ATOM 218 CB ALA A 14 -14.025 -2.362 -9.908 1.00 0.00 C ATOM 0 H ALA A 14 -12.208 -3.450 -11.112 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.873 -4.234 -10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.974 -1.966 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.473 -2.800 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.439 -1.555 -10.347 1.00 0.00 H new ATOM 224 N VAL A 15 -14.547 -1.815 -12.763 1.00 0.00 N ATOM 225 CA VAL A 15 -15.208 -1.179 -13.885 1.00 0.00 C ATOM 226 C VAL A 15 -15.314 -2.160 -15.044 1.00 0.00 C ATOM 227 O VAL A 15 -16.154 -1.993 -15.925 1.00 0.00 O ATOM 228 CB VAL A 15 -14.424 0.064 -14.298 1.00 0.00 C ATOM 229 CG1 VAL A 15 -15.322 0.982 -15.121 1.00 0.00 C ATOM 230 CG2 VAL A 15 -13.947 0.802 -13.051 1.00 0.00 C ATOM 0 H VAL A 15 -13.650 -1.398 -12.513 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.215 -0.878 -13.597 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.562 -0.232 -14.896 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.762 1.870 -15.416 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.662 0.455 -16.012 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.184 1.279 -14.524 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.387 1.690 -13.345 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.808 1.098 -12.452 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.305 0.146 -12.463 1.00 0.00 H new ATOM 240 N ILE A 16 -14.460 -3.186 -15.040 1.00 0.00 N ATOM 241 CA ILE A 16 -14.462 -4.189 -16.086 1.00 0.00 C ATOM 242 C ILE A 16 -15.670 -5.101 -15.922 1.00 0.00 C ATOM 243 O ILE A 16 -16.551 -5.126 -16.779 1.00 0.00 O ATOM 244 CB ILE A 16 -13.165 -4.991 -16.023 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.032 -4.175 -16.638 1.00 0.00 C ATOM 246 CG2 ILE A 16 -13.335 -6.293 -16.800 1.00 0.00 C ATOM 247 CD1 ILE A 16 -10.695 -4.674 -16.098 1.00 0.00 C ATOM 0 H ILE A 16 -13.758 -3.337 -14.316 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.527 -3.705 -17.061 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.927 -5.217 -14.984 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.054 -4.264 -17.724 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.160 -3.119 -16.402 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.409 -6.867 -16.756 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.144 -6.876 -16.361 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.573 -6.068 -17.840 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.885 -4.091 -16.537 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.676 -4.562 -15.014 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.568 -5.725 -16.357 1.00 0.00 H new ATOM 259 N ALA A 17 -15.709 -5.851 -14.818 1.00 0.00 N ATOM 260 CA ALA A 17 -16.806 -6.759 -14.550 1.00 0.00 C ATOM 261 C ALA A 17 -18.128 -6.010 -14.633 1.00 0.00 C ATOM 262 O ALA A 17 -19.165 -6.604 -14.917 1.00 0.00 O ATOM 263 CB ALA A 17 -16.623 -7.382 -13.169 1.00 0.00 C ATOM 0 H ALA A 17 -14.986 -5.841 -14.098 1.00 0.00 H new ATOM 0 HA ALA A 17 -16.815 -7.555 -15.295 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -17.448 -8.065 -12.966 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.681 -7.930 -13.139 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.609 -6.596 -12.414 1.00 0.00 H new ATOM 269 N MET A 18 -18.089 -4.699 -14.384 1.00 0.00 N ATOM 270 CA MET A 18 -19.282 -3.878 -14.430 1.00 0.00 C ATOM 271 C MET A 18 -19.801 -3.798 -15.859 1.00 0.00 C ATOM 272 O MET A 18 -20.927 -4.202 -16.139 1.00 0.00 O ATOM 273 CB MET A 18 -18.962 -2.486 -13.893 1.00 0.00 C ATOM 274 CG MET A 18 -18.782 -2.554 -12.379 1.00 0.00 C ATOM 275 SD MET A 18 -17.813 -1.188 -11.692 1.00 0.00 S ATOM 276 CE MET A 18 -18.266 0.109 -12.871 1.00 0.00 C ATOM 0 H MET A 18 -17.237 -4.190 -14.149 1.00 0.00 H new ATOM 0 HA MET A 18 -20.058 -4.324 -13.808 1.00 0.00 H new ATOM 0 HB2 MET A 18 -18.055 -2.104 -14.361 1.00 0.00 H new ATOM 0 HB3 MET A 18 -19.766 -1.794 -14.144 1.00 0.00 H new ATOM 0 HG2 MET A 18 -19.764 -2.563 -11.906 1.00 0.00 H new ATOM 0 HG3 MET A 18 -18.296 -3.496 -12.123 1.00 0.00 H new ATOM 0 HE1 MET A 18 -17.845 1.060 -12.545 1.00 0.00 H new ATOM 0 HE2 MET A 18 -17.875 -0.143 -13.857 1.00 0.00 H new ATOM 0 HE3 MET A 18 -19.352 0.192 -12.922 1.00 0.00 H new ATOM 656 N THR B 103 -8.674 -5.222 5.893 1.00 0.00 N ATOM 657 CA THR B 103 -8.935 -5.111 4.472 1.00 0.00 C ATOM 658 C THR B 103 -10.060 -4.116 4.228 1.00 0.00 C ATOM 659 O THR B 103 -10.042 -3.382 3.242 1.00 0.00 O ATOM 660 CB THR B 103 -9.296 -6.484 3.914 1.00 0.00 C ATOM 661 OG1 THR B 103 -9.628 -6.364 2.548 1.00 0.00 O ATOM 662 CG2 THR B 103 -10.491 -7.047 4.679 1.00 0.00 C ATOM 0 HA THR B 103 -8.042 -4.749 3.962 1.00 0.00 H new ATOM 0 HB THR B 103 -8.445 -7.156 4.024 1.00 0.00 H new ATOM 0 HG1 THR B 103 -10.602 -6.326 2.450 1.00 0.00 H new ATOM 0 HG21 THR B 103 -10.749 -8.028 4.280 1.00 0.00 H new ATOM 0 HG22 THR B 103 -10.236 -7.140 5.735 1.00 0.00 H new ATOM 0 HG23 THR B 103 -11.342 -6.375 4.569 1.00 0.00 H new ATOM 670 N ASN B 104 -11.043 -4.094 5.131 1.00 0.00 N ATOM 671 CA ASN B 104 -12.170 -3.191 5.010 1.00 0.00 C ATOM 672 C ASN B 104 -11.686 -1.811 4.590 1.00 0.00 C ATOM 673 O ASN B 104 -12.207 -1.229 3.641 1.00 0.00 O ATOM 674 CB ASN B 104 -12.909 -3.122 6.344 1.00 0.00 C ATOM 675 CG ASN B 104 -13.676 -1.813 6.472 1.00 0.00 C ATOM 676 OD1 ASN B 104 -13.097 -0.784 6.814 1.00 0.00 O ATOM 677 ND2 ASN B 104 -14.981 -1.854 6.195 1.00 0.00 N ATOM 0 H ASN B 104 -11.073 -4.697 5.953 1.00 0.00 H new ATOM 0 HA ASN B 104 -12.855 -3.560 4.247 1.00 0.00 H new ATOM 0 HB2 ASN B 104 -13.599 -3.962 6.426 1.00 0.00 H new ATOM 0 HB3 ASN B 104 -12.197 -3.213 7.164 1.00 0.00 H new ATOM 0 HD21 ASN B 104 -15.544 -1.006 6.263 1.00 0.00 H new ATOM 0 HD22 ASN B 104 -15.416 -2.733 5.915 1.00 0.00 H new ATOM 684 N LEU B 105 -10.684 -1.288 5.300 1.00 0.00 N ATOM 685 CA LEU B 105 -10.134 0.019 5.000 1.00 0.00 C ATOM 686 C LEU B 105 -9.967 0.175 3.495 1.00 0.00 C ATOM 687 O LEU B 105 -10.361 1.190 2.926 1.00 0.00 O ATOM 688 CB LEU B 105 -8.794 0.181 5.712 1.00 0.00 C ATOM 689 CG LEU B 105 -9.024 0.773 7.099 1.00 0.00 C ATOM 690 CD1 LEU B 105 -7.731 0.694 7.907 1.00 0.00 C ATOM 691 CD2 LEU B 105 -9.452 2.232 6.965 1.00 0.00 C ATOM 0 H LEU B 105 -10.241 -1.759 6.089 1.00 0.00 H new ATOM 0 HA LEU B 105 -10.814 0.794 5.352 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -8.295 -0.785 5.795 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -8.138 0.830 5.132 1.00 0.00 H new ATOM 0 HG LEU B 105 -9.806 0.210 7.609 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -7.895 1.117 8.898 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -7.425 -0.348 8.003 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -6.949 1.256 7.397 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -9.616 2.655 7.956 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -8.670 2.795 6.455 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -10.375 2.289 6.388 1.00 0.00 H new ATOM 703 N GLU B 106 -9.379 -0.836 2.850 1.00 0.00 N ATOM 704 CA GLU B 106 -9.166 -0.804 1.417 1.00 0.00 C ATOM 705 C GLU B 106 -10.504 -0.837 0.692 1.00 0.00 C ATOM 706 O GLU B 106 -10.639 -0.277 -0.394 1.00 0.00 O ATOM 707 CB GLU B 106 -8.299 -1.992 1.007 1.00 0.00 C ATOM 708 CG GLU B 106 -6.869 -1.767 1.489 1.00 0.00 C ATOM 709 CD GLU B 106 -6.851 -1.274 2.928 1.00 0.00 C ATOM 710 OE1 GLU B 106 -7.238 -2.074 3.807 1.00 0.00 O ATOM 711 OE2 GLU B 106 -6.452 -0.106 3.123 1.00 0.00 O ATOM 0 H GLU B 106 -9.044 -1.685 3.307 1.00 0.00 H new ATOM 0 HA GLU B 106 -8.652 0.118 1.143 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -8.698 -2.912 1.434 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -8.315 -2.111 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -6.305 -2.696 1.412 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -6.374 -1.040 0.845 1.00 0.00 H new ATOM 719 N ILE B 107 -11.494 -1.497 1.297 1.00 0.00 N ATOM 720 CA ILE B 107 -12.816 -1.600 0.712 1.00 0.00 C ATOM 721 C ILE B 107 -13.446 -0.218 0.617 1.00 0.00 C ATOM 722 O ILE B 107 -14.220 0.052 -0.300 1.00 0.00 O ATOM 723 CB ILE B 107 -13.677 -2.531 1.561 1.00 0.00 C ATOM 724 CG1 ILE B 107 -12.910 -3.820 1.841 1.00 0.00 C ATOM 725 CG2 ILE B 107 -14.965 -2.858 0.811 1.00 0.00 C ATOM 726 CD1 ILE B 107 -13.875 -4.885 2.353 1.00 0.00 C ATOM 0 H ILE B 107 -11.396 -1.968 2.197 1.00 0.00 H new ATOM 0 HA ILE B 107 -12.742 -2.014 -0.294 1.00 0.00 H new ATOM 0 HB ILE B 107 -13.920 -2.041 2.504 1.00 0.00 H new ATOM 0 HG12 ILE B 107 -12.417 -4.167 0.933 1.00 0.00 H new ATOM 0 HG13 ILE B 107 -12.128 -3.638 2.578 1.00 0.00 H new ATOM 0 HG21 ILE B 107 -15.580 -3.523 1.417 1.00 0.00 H new ATOM 0 HG22 ILE B 107 -15.514 -1.937 0.612 1.00 0.00 H new ATOM 0 HG23 ILE B 107 -14.723 -3.347 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE B 107 -13.328 -5.806 2.553 1.00 0.00 H new ATOM 0 HD12 ILE B 107 -14.347 -4.537 3.272 1.00 0.00 H new ATOM 0 HD13 ILE B 107 -14.641 -5.074 1.601 1.00 0.00 H new ATOM 738 N ILE B 108 -13.114 0.659 1.567 1.00 0.00 N ATOM 739 CA ILE B 108 -13.645 2.007 1.587 1.00 0.00 C ATOM 740 C ILE B 108 -12.945 2.851 0.531 1.00 0.00 C ATOM 741 O ILE B 108 -13.593 3.602 -0.195 1.00 0.00 O ATOM 742 CB ILE B 108 -13.454 2.609 2.976 1.00 0.00 C ATOM 743 CG1 ILE B 108 -14.482 2.014 3.934 1.00 0.00 C ATOM 744 CG2 ILE B 108 -13.640 4.122 2.905 1.00 0.00 C ATOM 745 CD1 ILE B 108 -13.958 2.107 5.364 1.00 0.00 C ATOM 0 H ILE B 108 -12.475 0.449 2.334 1.00 0.00 H new ATOM 0 HA ILE B 108 -14.711 1.986 1.360 1.00 0.00 H new ATOM 0 HB ILE B 108 -12.450 2.383 3.335 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -15.428 2.548 3.847 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -14.678 0.974 3.674 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -13.504 4.552 3.897 1.00 0.00 H new ATOM 0 HG22 ILE B 108 -12.906 4.547 2.221 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -14.644 4.349 2.546 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -14.692 1.682 6.049 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -13.023 1.553 5.445 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -13.785 3.152 5.621 1.00 0.00 H new ATOM 757 N ILE B 109 -11.618 2.727 0.447 1.00 0.00 N ATOM 758 CA ILE B 109 -10.838 3.476 -0.517 1.00 0.00 C ATOM 759 C ILE B 109 -11.055 2.903 -1.911 1.00 0.00 C ATOM 760 O ILE B 109 -10.900 3.609 -2.905 1.00 0.00 O ATOM 761 CB ILE B 109 -9.362 3.418 -0.132 1.00 0.00 C ATOM 762 CG1 ILE B 109 -9.159 4.114 1.211 1.00 0.00 C ATOM 763 CG2 ILE B 109 -8.530 4.120 -1.201 1.00 0.00 C ATOM 764 CD1 ILE B 109 -7.726 3.892 1.687 1.00 0.00 C ATOM 0 H ILE B 109 -11.067 2.109 1.043 1.00 0.00 H new ATOM 0 HA ILE B 109 -11.158 4.518 -0.519 1.00 0.00 H new ATOM 0 HB ILE B 109 -9.047 2.377 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -9.360 5.181 1.114 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -9.862 3.722 1.946 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -7.476 4.079 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -8.675 3.622 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -8.844 5.161 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -7.580 4.389 2.646 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -7.541 2.824 1.800 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -7.031 4.305 0.955 1.00 0.00 H new ATOM 776 N LEU B 110 -11.416 1.619 -1.982 1.00 0.00 N ATOM 777 CA LEU B 110 -11.653 0.960 -3.250 1.00 0.00 C ATOM 778 C LEU B 110 -13.086 1.206 -3.700 1.00 0.00 C ATOM 779 O LEU B 110 -13.337 1.454 -4.878 1.00 0.00 O ATOM 780 CB LEU B 110 -11.381 -0.534 -3.105 1.00 0.00 C ATOM 781 CG LEU B 110 -9.875 -0.779 -3.097 1.00 0.00 C ATOM 782 CD1 LEU B 110 -9.601 -2.275 -3.214 1.00 0.00 C ATOM 783 CD2 LEU B 110 -9.236 -0.051 -4.276 1.00 0.00 C ATOM 0 H LEU B 110 -11.549 1.021 -1.167 1.00 0.00 H new ATOM 0 HA LEU B 110 -10.981 1.366 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -11.826 -0.908 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -11.845 -1.080 -3.926 1.00 0.00 H new ATOM 0 HG LEU B 110 -9.451 -0.405 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -8.525 -2.449 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -10.057 -2.795 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -10.024 -2.651 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -8.160 -0.225 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -9.660 -0.425 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -9.431 1.018 -4.192 1.00 0.00 H new ATOM 795 N GLU B 111 -14.029 1.136 -2.758 1.00 0.00 N ATOM 796 CA GLU B 111 -15.429 1.353 -3.063 1.00 0.00 C ATOM 797 C GLU B 111 -15.622 2.738 -3.664 1.00 0.00 C ATOM 798 O GLU B 111 -16.317 2.894 -4.666 1.00 0.00 O ATOM 799 CB GLU B 111 -16.256 1.196 -1.790 1.00 0.00 C ATOM 800 CG GLU B 111 -16.593 -0.278 -1.580 1.00 0.00 C ATOM 801 CD GLU B 111 -17.611 -0.753 -2.607 1.00 0.00 C ATOM 802 OE1 GLU B 111 -17.339 -1.801 -3.233 1.00 0.00 O ATOM 803 OE2 GLU B 111 -18.641 -0.060 -2.748 1.00 0.00 O ATOM 0 H GLU B 111 -13.839 0.930 -1.777 1.00 0.00 H new ATOM 0 HA GLU B 111 -15.763 0.615 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -15.701 1.579 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -17.172 1.782 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -15.686 -0.877 -1.657 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -16.988 -0.425 -0.575 1.00 0.00 H new ATOM 811 N GLY B 112 -15.002 3.747 -3.047 1.00 0.00 N ATOM 812 CA GLY B 112 -15.109 5.111 -3.525 1.00 0.00 C ATOM 813 C GLY B 112 -14.286 5.292 -4.793 1.00 0.00 C ATOM 814 O GLY B 112 -14.806 5.721 -5.820 1.00 0.00 O ATOM 0 H GLY B 112 -14.422 3.636 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -16.153 5.353 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -14.762 5.801 -2.756 1.00 0.00 H new ATOM 818 N THR B 113 -12.994 4.963 -4.717 1.00 0.00 N ATOM 819 CA THR B 113 -12.108 5.090 -5.856 1.00 0.00 C ATOM 820 C THR B 113 -12.678 4.328 -7.044 1.00 0.00 C ATOM 821 O THR B 113 -12.466 4.712 -8.193 1.00 0.00 O ATOM 822 CB THR B 113 -10.726 4.559 -5.487 1.00 0.00 C ATOM 823 OG1 THR B 113 -10.125 5.424 -4.550 1.00 0.00 O ATOM 824 CG2 THR B 113 -9.858 4.483 -6.739 1.00 0.00 C ATOM 0 H THR B 113 -12.546 4.607 -3.873 1.00 0.00 H new ATOM 0 HA THR B 113 -12.018 6.140 -6.134 1.00 0.00 H new ATOM 0 HB THR B 113 -10.824 3.564 -5.053 1.00 0.00 H new ATOM 0 HG1 THR B 113 -10.214 5.045 -3.651 1.00 0.00 H new ATOM 0 HG21 THR B 113 -8.871 4.104 -6.475 1.00 0.00 H new ATOM 0 HG22 THR B 113 -10.322 3.814 -7.463 1.00 0.00 H new ATOM 0 HG23 THR B 113 -9.760 5.477 -7.175 1.00 0.00 H new ATOM 832 N ALA B 114 -13.405 3.244 -6.764 1.00 0.00 N ATOM 833 CA ALA B 114 -14.002 2.433 -7.807 1.00 0.00 C ATOM 834 C ALA B 114 -15.081 3.230 -8.525 1.00 0.00 C ATOM 835 O ALA B 114 -14.965 3.501 -9.718 1.00 0.00 O ATOM 836 CB ALA B 114 -14.585 1.164 -7.192 1.00 0.00 C ATOM 0 H ALA B 114 -13.590 2.913 -5.817 1.00 0.00 H new ATOM 0 HA ALA B 114 -13.241 2.151 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -15.034 0.553 -7.975 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -13.792 0.600 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -15.346 1.431 -6.459 1.00 0.00 H new ATOM 842 N VAL B 115 -16.134 3.605 -7.794 1.00 0.00 N ATOM 843 CA VAL B 115 -17.228 4.366 -8.363 1.00 0.00 C ATOM 844 C VAL B 115 -16.725 5.730 -8.815 1.00 0.00 C ATOM 845 O VAL B 115 -17.348 6.376 -9.655 1.00 0.00 O ATOM 846 CB VAL B 115 -18.337 4.515 -7.326 1.00 0.00 C ATOM 847 CG1 VAL B 115 -19.645 4.870 -8.026 1.00 0.00 C ATOM 848 CG2 VAL B 115 -18.505 3.200 -6.570 1.00 0.00 C ATOM 0 H VAL B 115 -16.244 3.388 -6.803 1.00 0.00 H new ATOM 0 HA VAL B 115 -17.629 3.842 -9.231 1.00 0.00 H new ATOM 0 HB VAL B 115 -18.075 5.307 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL B 115 -20.437 4.976 -7.285 1.00 0.00 H new ATOM 0 HG12 VAL B 115 -19.525 5.809 -8.566 1.00 0.00 H new ATOM 0 HG13 VAL B 115 -19.909 4.079 -8.728 1.00 0.00 H new ATOM 0 HG21 VAL B 115 -19.297 3.305 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL B 115 -18.767 2.408 -7.271 1.00 0.00 H new ATOM 0 HG23 VAL B 115 -17.571 2.946 -6.069 1.00 0.00 H new ATOM 858 N ILE B 116 -15.594 6.167 -8.255 1.00 0.00 N ATOM 859 CA ILE B 116 -15.012 7.447 -8.603 1.00 0.00 C ATOM 860 C ILE B 116 -14.381 7.368 -9.986 1.00 0.00 C ATOM 861 O ILE B 116 -14.828 8.041 -10.913 1.00 0.00 O ATOM 862 CB ILE B 116 -13.972 7.834 -7.555 1.00 0.00 C ATOM 863 CG1 ILE B 116 -14.677 8.350 -6.304 1.00 0.00 C ATOM 864 CG2 ILE B 116 -13.066 8.926 -8.116 1.00 0.00 C ATOM 865 CD1 ILE B 116 -13.751 8.203 -5.100 1.00 0.00 C ATOM 0 H ILE B 116 -15.068 5.643 -7.556 1.00 0.00 H new ATOM 0 HA ILE B 116 -15.789 8.211 -8.624 1.00 0.00 H new ATOM 0 HB ILE B 116 -13.372 6.961 -7.299 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.956 9.395 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -15.599 7.793 -6.137 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -12.323 9.203 -7.368 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -12.562 8.557 -9.009 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -13.665 9.800 -8.373 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -14.255 8.572 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -13.494 7.152 -4.965 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -12.842 8.780 -5.268 1.00 0.00 H new ATOM 877 N ALA B 117 -13.340 6.544 -10.124 1.00 0.00 N ATOM 878 CA ALA B 117 -12.655 6.383 -11.390 1.00 0.00 C ATOM 879 C ALA B 117 -13.659 6.026 -12.478 1.00 0.00 C ATOM 880 O ALA B 117 -13.428 6.299 -13.653 1.00 0.00 O ATOM 881 CB ALA B 117 -11.593 5.296 -11.258 1.00 0.00 C ATOM 0 H ALA B 117 -12.958 5.979 -9.365 1.00 0.00 H new ATOM 0 HA ALA B 117 -12.167 7.318 -11.665 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -11.077 5.174 -12.210 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -10.874 5.581 -10.490 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -12.068 4.355 -10.980 1.00 0.00 H new ATOM 887 N MET B 118 -14.777 5.414 -12.082 1.00 0.00 N ATOM 888 CA MET B 118 -15.807 5.023 -13.024 1.00 0.00 C ATOM 889 C MET B 118 -16.459 6.261 -13.622 1.00 0.00 C ATOM 890 O MET B 118 -16.423 6.462 -14.834 1.00 0.00 O ATOM 891 CB MET B 118 -16.843 4.157 -12.312 1.00 0.00 C ATOM 892 CG MET B 118 -16.246 2.783 -12.024 1.00 0.00 C ATOM 893 SD MET B 118 -17.067 1.892 -10.679 1.00 0.00 S ATOM 894 CE MET B 118 -18.744 2.543 -10.882 1.00 0.00 C ATOM 0 H MET B 118 -14.985 5.182 -11.111 1.00 0.00 H new ATOM 0 HA MET B 118 -15.363 4.445 -13.834 1.00 0.00 H new ATOM 0 HB2 MET B 118 -17.153 4.633 -11.382 1.00 0.00 H new ATOM 0 HB3 MET B 118 -17.735 4.055 -12.931 1.00 0.00 H new ATOM 0 HG2 MET B 118 -16.296 2.179 -12.930 1.00 0.00 H new ATOM 0 HG3 MET B 118 -15.191 2.901 -11.777 1.00 0.00 H new ATOM 0 HE1 MET B 118 -19.417 2.037 -10.190 1.00 0.00 H new ATOM 0 HE2 MET B 118 -18.747 3.613 -10.674 1.00 0.00 H new ATOM 0 HE3 MET B 118 -19.079 2.372 -11.905 1.00 0.00 H new ATOM 1274 N THR C 203 -5.666 -12.005 -1.437 1.00 0.00 N ATOM 1275 CA THR C 203 -6.286 -10.743 -1.786 1.00 0.00 C ATOM 1276 C THR C 203 -7.521 -10.989 -2.640 1.00 0.00 C ATOM 1277 O THR C 203 -8.516 -10.278 -2.521 1.00 0.00 O ATOM 1278 CB THR C 203 -5.278 -9.872 -2.532 1.00 0.00 C ATOM 1279 OG1 THR C 203 -5.904 -8.676 -2.942 1.00 0.00 O ATOM 1280 CG2 THR C 203 -4.765 -10.623 -3.757 1.00 0.00 C ATOM 0 HA THR C 203 -6.596 -10.225 -0.879 1.00 0.00 H new ATOM 0 HB THR C 203 -4.442 -9.638 -1.873 1.00 0.00 H new ATOM 0 HG1 THR C 203 -6.291 -8.799 -3.834 1.00 0.00 H new ATOM 0 HG21 THR C 203 -4.045 -10.001 -4.290 1.00 0.00 H new ATOM 0 HG22 THR C 203 -4.282 -11.548 -3.441 1.00 0.00 H new ATOM 0 HG23 THR C 203 -5.601 -10.857 -4.417 1.00 0.00 H new ATOM 1288 N ASN C 204 -7.455 -12.004 -3.505 1.00 0.00 N ATOM 1289 CA ASN C 204 -8.565 -12.341 -4.373 1.00 0.00 C ATOM 1290 C ASN C 204 -9.871 -12.277 -3.593 1.00 0.00 C ATOM 1291 O ASN C 204 -10.827 -11.639 -4.028 1.00 0.00 O ATOM 1292 CB ASN C 204 -8.350 -13.735 -4.954 1.00 0.00 C ATOM 1293 CG ASN C 204 -9.675 -14.369 -5.351 1.00 0.00 C ATOM 1294 OD1 ASN C 204 -10.388 -14.904 -4.505 1.00 0.00 O ATOM 1295 ND2 ASN C 204 -10.006 -14.306 -6.643 1.00 0.00 N ATOM 0 H ASN C 204 -6.637 -12.604 -3.616 1.00 0.00 H new ATOM 0 HA ASN C 204 -8.620 -11.624 -5.192 1.00 0.00 H new ATOM 0 HB2 ASN C 204 -7.697 -13.674 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN C 204 -7.846 -14.365 -4.221 1.00 0.00 H new ATOM 0 HD21 ASN C 204 -10.884 -14.713 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN C 204 -9.381 -13.851 -7.308 1.00 0.00 H new ATOM 1302 N LEU C 205 -9.908 -12.943 -2.436 1.00 0.00 N ATOM 1303 CA LEU C 205 -11.092 -12.959 -1.601 1.00 0.00 C ATOM 1304 C LEU C 205 -11.691 -11.562 -1.525 1.00 0.00 C ATOM 1305 O LEU C 205 -12.895 -11.389 -1.695 1.00 0.00 O ATOM 1306 CB LEU C 205 -10.725 -13.466 -0.209 1.00 0.00 C ATOM 1307 CG LEU C 205 -10.867 -14.985 -0.167 1.00 0.00 C ATOM 1308 CD1 LEU C 205 -10.257 -15.518 1.126 1.00 0.00 C ATOM 1309 CD2 LEU C 205 -12.345 -15.359 -0.224 1.00 0.00 C ATOM 0 H LEU C 205 -9.124 -13.478 -2.063 1.00 0.00 H new ATOM 0 HA LEU C 205 -11.836 -13.628 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU C 205 -9.703 -13.179 0.036 1.00 0.00 H new ATOM 0 HB3 LEU C 205 -11.373 -13.009 0.539 1.00 0.00 H new ATOM 0 HG LEU C 205 -10.348 -15.422 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU C 205 -10.358 -16.603 1.156 1.00 0.00 H new ATOM 0 HD12 LEU C 205 -9.201 -15.251 1.167 1.00 0.00 H new ATOM 0 HD13 LEU C 205 -10.775 -15.081 1.980 1.00 0.00 H new ATOM 0 HD21 LEU C 205 -12.447 -16.444 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU C 205 -12.864 -14.922 0.629 1.00 0.00 H new ATOM 0 HD23 LEU C 205 -12.781 -14.979 -1.148 1.00 0.00 H new ATOM 1321 N GLU C 206 -10.844 -10.562 -1.269 1.00 0.00 N ATOM 1322 CA GLU C 206 -11.294 -9.188 -1.174 1.00 0.00 C ATOM 1323 C GLU C 206 -11.787 -8.708 -2.531 1.00 0.00 C ATOM 1324 O GLU C 206 -12.685 -7.872 -2.609 1.00 0.00 O ATOM 1325 CB GLU C 206 -10.149 -8.312 -0.674 1.00 0.00 C ATOM 1326 CG GLU C 206 -9.891 -8.604 0.801 1.00 0.00 C ATOM 1327 CD GLU C 206 -9.873 -10.103 1.063 1.00 0.00 C ATOM 1328 OE1 GLU C 206 -8.933 -10.756 0.560 1.00 0.00 O ATOM 1329 OE2 GLU C 206 -10.799 -10.568 1.762 1.00 0.00 O ATOM 0 H GLU C 206 -9.842 -10.688 -1.125 1.00 0.00 H new ATOM 0 HA GLU C 206 -12.121 -9.122 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU C 206 -9.248 -8.505 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU C 206 -10.397 -7.259 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU C 206 -8.939 -8.167 1.101 1.00 0.00 H new ATOM 0 HG3 GLU C 206 -10.663 -8.134 1.409 1.00 0.00 H new ATOM 1337 N ILE C 207 -11.197 -9.241 -3.604 1.00 0.00 N ATOM 1338 CA ILE C 207 -11.577 -8.869 -4.952 1.00 0.00 C ATOM 1339 C ILE C 207 -13.016 -9.290 -5.216 1.00 0.00 C ATOM 1340 O ILE C 207 -13.729 -8.630 -5.968 1.00 0.00 O ATOM 1341 CB ILE C 207 -10.628 -9.530 -5.947 1.00 0.00 C ATOM 1342 CG1 ILE C 207 -9.185 -9.289 -5.513 1.00 0.00 C ATOM 1343 CG2 ILE C 207 -10.848 -8.932 -7.334 1.00 0.00 C ATOM 1344 CD1 ILE C 207 -8.244 -9.610 -6.671 1.00 0.00 C ATOM 0 H ILE C 207 -10.451 -9.935 -3.555 1.00 0.00 H new ATOM 0 HA ILE C 207 -11.509 -7.787 -5.069 1.00 0.00 H new ATOM 0 HB ILE C 207 -10.824 -10.602 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE C 207 -9.056 -8.252 -5.202 1.00 0.00 H new ATOM 0 HG13 ILE C 207 -8.944 -9.912 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE C 207 -10.170 -9.404 -8.045 1.00 0.00 H new ATOM 0 HG22 ILE C 207 -11.878 -9.104 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE C 207 -10.653 -7.860 -7.303 1.00 0.00 H new ATOM 0 HD11 ILE C 207 -7.213 -9.438 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE C 207 -8.366 -10.654 -6.961 1.00 0.00 H new ATOM 0 HD13 ILE C 207 -8.479 -8.968 -7.520 1.00 0.00 H new ATOM 1356 N ILE C 208 -13.441 -10.393 -4.594 1.00 0.00 N ATOM 1357 CA ILE C 208 -14.790 -10.895 -4.762 1.00 0.00 C ATOM 1358 C ILE C 208 -15.761 -10.040 -3.960 1.00 0.00 C ATOM 1359 O ILE C 208 -16.830 -9.685 -4.452 1.00 0.00 O ATOM 1360 CB ILE C 208 -14.850 -12.352 -4.311 1.00 0.00 C ATOM 1361 CG1 ILE C 208 -14.211 -13.241 -5.374 1.00 0.00 C ATOM 1362 CG2 ILE C 208 -16.306 -12.763 -4.111 1.00 0.00 C ATOM 1363 CD1 ILE C 208 -13.718 -14.532 -4.728 1.00 0.00 C ATOM 0 H ILE C 208 -12.860 -10.951 -3.968 1.00 0.00 H new ATOM 0 HA ILE C 208 -15.074 -10.843 -5.813 1.00 0.00 H new ATOM 0 HB ILE C 208 -14.309 -12.464 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE C 208 -14.935 -13.467 -6.157 1.00 0.00 H new ATOM 0 HG13 ILE C 208 -13.380 -12.719 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE C 208 -16.349 -13.803 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE C 208 -16.762 -12.129 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE C 208 -16.848 -12.651 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE C 208 -13.261 -15.167 -5.487 1.00 0.00 H new ATOM 0 HD12 ILE C 208 -12.981 -14.296 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE C 208 -14.559 -15.056 -4.274 1.00 0.00 H new ATOM 1375 N ILE C 209 -15.387 -9.710 -2.722 1.00 0.00 N ATOM 1376 CA ILE C 209 -16.223 -8.900 -1.859 1.00 0.00 C ATOM 1377 C ILE C 209 -16.197 -7.452 -2.330 1.00 0.00 C ATOM 1378 O ILE C 209 -17.138 -6.701 -2.083 1.00 0.00 O ATOM 1379 CB ILE C 209 -15.727 -9.011 -0.420 1.00 0.00 C ATOM 1380 CG1 ILE C 209 -15.886 -10.449 0.064 1.00 0.00 C ATOM 1381 CG2 ILE C 209 -16.543 -8.080 0.472 1.00 0.00 C ATOM 1382 CD1 ILE C 209 -15.220 -10.603 1.428 1.00 0.00 C ATOM 0 H ILE C 209 -14.504 -9.997 -2.301 1.00 0.00 H new ATOM 0 HA ILE C 209 -17.252 -9.257 -1.902 1.00 0.00 H new ATOM 0 HB ILE C 209 -14.675 -8.728 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE C 209 -16.943 -10.706 0.132 1.00 0.00 H new ATOM 0 HG13 ILE C 209 -15.436 -11.137 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE C 209 -16.189 -8.159 1.500 1.00 0.00 H new ATOM 0 HG22 ILE C 209 -16.429 -7.053 0.127 1.00 0.00 H new ATOM 0 HG23 ILE C 209 -17.595 -8.363 0.427 1.00 0.00 H new ATOM 0 HD11 ILE C 209 -15.333 -11.630 1.774 1.00 0.00 H new ATOM 0 HD12 ILE C 209 -14.160 -10.363 1.345 1.00 0.00 H new ATOM 0 HD13 ILE C 209 -15.690 -9.926 2.141 1.00 0.00 H new ATOM 1394 N LEU C 210 -15.116 -7.062 -3.009 1.00 0.00 N ATOM 1395 CA LEU C 210 -14.974 -5.710 -3.510 1.00 0.00 C ATOM 1396 C LEU C 210 -15.654 -5.587 -4.866 1.00 0.00 C ATOM 1397 O LEU C 210 -16.318 -4.590 -5.143 1.00 0.00 O ATOM 1398 CB LEU C 210 -13.492 -5.361 -3.615 1.00 0.00 C ATOM 1399 CG LEU C 210 -12.941 -5.057 -2.225 1.00 0.00 C ATOM 1400 CD1 LEU C 210 -11.543 -4.460 -2.351 1.00 0.00 C ATOM 1401 CD2 LEU C 210 -13.859 -4.061 -1.521 1.00 0.00 C ATOM 0 H LEU C 210 -14.327 -7.673 -3.221 1.00 0.00 H new ATOM 0 HA LEU C 210 -15.451 -5.012 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU C 210 -12.943 -6.190 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU C 210 -13.356 -4.499 -4.268 1.00 0.00 H new ATOM 0 HG LEU C 210 -12.891 -5.978 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU C 210 -11.149 -4.243 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU C 210 -10.888 -5.171 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU C 210 -11.592 -3.539 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU C 210 -13.466 -3.843 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU C 210 -13.909 -3.140 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU C 210 -14.858 -4.488 -1.430 1.00 0.00 H new ATOM 1413 N GLU C 211 -15.487 -6.605 -5.713 1.00 0.00 N ATOM 1414 CA GLU C 211 -16.086 -6.605 -7.033 1.00 0.00 C ATOM 1415 C GLU C 211 -17.599 -6.484 -6.917 1.00 0.00 C ATOM 1416 O GLU C 211 -18.220 -5.697 -7.628 1.00 0.00 O ATOM 1417 CB GLU C 211 -15.701 -7.887 -7.765 1.00 0.00 C ATOM 1418 CG GLU C 211 -14.348 -7.699 -8.444 1.00 0.00 C ATOM 1419 CD GLU C 211 -14.462 -6.753 -9.630 1.00 0.00 C ATOM 1420 OE1 GLU C 211 -13.644 -5.808 -9.684 1.00 0.00 O ATOM 1421 OE2 GLU C 211 -15.364 -6.991 -10.462 1.00 0.00 O ATOM 0 H GLU C 211 -14.939 -7.438 -5.500 1.00 0.00 H new ATOM 0 HA GLU C 211 -15.718 -5.751 -7.602 1.00 0.00 H new ATOM 0 HB2 GLU C 211 -15.655 -8.719 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU C 211 -16.460 -8.137 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU C 211 -13.629 -7.304 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU C 211 -13.968 -8.664 -8.779 1.00 0.00 H new ATOM 1429 N GLY C 212 -18.193 -7.267 -6.013 1.00 0.00 N ATOM 1430 CA GLY C 212 -19.627 -7.242 -5.809 1.00 0.00 C ATOM 1431 C GLY C 212 -20.034 -5.971 -5.076 1.00 0.00 C ATOM 1432 O GLY C 212 -20.881 -5.219 -5.551 1.00 0.00 O ATOM 0 H GLY C 212 -17.694 -7.924 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY C 212 -20.139 -7.296 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY C 212 -19.935 -8.116 -5.235 1.00 0.00 H new ATOM 1436 N THR C 213 -19.425 -5.734 -3.912 1.00 0.00 N ATOM 1437 CA THR C 213 -19.726 -4.557 -3.121 1.00 0.00 C ATOM 1438 C THR C 213 -19.536 -3.304 -3.964 1.00 0.00 C ATOM 1439 O THR C 213 -20.222 -2.305 -3.760 1.00 0.00 O ATOM 1440 CB THR C 213 -18.820 -4.525 -1.894 1.00 0.00 C ATOM 1441 OG1 THR C 213 -19.183 -5.568 -1.015 1.00 0.00 O ATOM 1442 CG2 THR C 213 -18.975 -3.184 -1.182 1.00 0.00 C ATOM 0 H THR C 213 -18.720 -6.348 -3.503 1.00 0.00 H new ATOM 0 HA THR C 213 -20.764 -4.593 -2.790 1.00 0.00 H new ATOM 0 HB THR C 213 -17.783 -4.654 -2.204 1.00 0.00 H new ATOM 0 HG1 THR C 213 -18.569 -6.323 -1.131 1.00 0.00 H new ATOM 0 HG21 THR C 213 -18.328 -3.161 -0.305 1.00 0.00 H new ATOM 0 HG22 THR C 213 -18.696 -2.378 -1.860 1.00 0.00 H new ATOM 0 HG23 THR C 213 -20.012 -3.055 -0.871 1.00 0.00 H new ATOM 1450 N ALA C 214 -18.599 -3.360 -4.914 1.00 0.00 N ATOM 1451 CA ALA C 214 -18.321 -2.234 -5.781 1.00 0.00 C ATOM 1452 C ALA C 214 -19.521 -1.966 -6.678 1.00 0.00 C ATOM 1453 O ALA C 214 -20.136 -0.904 -6.596 1.00 0.00 O ATOM 1454 CB ALA C 214 -17.078 -2.529 -6.615 1.00 0.00 C ATOM 0 H ALA C 214 -18.023 -4.182 -5.095 1.00 0.00 H new ATOM 0 HA ALA C 214 -18.135 -1.344 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA C 214 -16.868 -1.682 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA C 214 -16.228 -2.697 -5.954 1.00 0.00 H new ATOM 0 HB3 ALA C 214 -17.249 -3.420 -7.220 1.00 0.00 H new ATOM 1460 N VAL C 215 -19.854 -2.932 -7.537 1.00 0.00 N ATOM 1461 CA VAL C 215 -20.976 -2.797 -8.444 1.00 0.00 C ATOM 1462 C VAL C 215 -22.270 -2.698 -7.650 1.00 0.00 C ATOM 1463 O VAL C 215 -23.273 -2.196 -8.154 1.00 0.00 O ATOM 1464 CB VAL C 215 -21.011 -3.994 -9.390 1.00 0.00 C ATOM 1465 CG1 VAL C 215 -21.852 -3.649 -10.616 1.00 0.00 C ATOM 1466 CG2 VAL C 215 -19.590 -4.337 -9.828 1.00 0.00 C ATOM 0 H VAL C 215 -19.354 -3.818 -7.617 1.00 0.00 H new ATOM 0 HA VAL C 215 -20.865 -1.888 -9.035 1.00 0.00 H new ATOM 0 HB VAL C 215 -21.450 -4.850 -8.877 1.00 0.00 H new ATOM 0 HG11 VAL C 215 -21.877 -4.504 -11.292 1.00 0.00 H new ATOM 0 HG12 VAL C 215 -22.867 -3.403 -10.304 1.00 0.00 H new ATOM 0 HG13 VAL C 215 -21.413 -2.793 -11.129 1.00 0.00 H new ATOM 0 HG21 VAL C 215 -19.614 -5.192 -10.504 1.00 0.00 H new ATOM 0 HG22 VAL C 215 -19.151 -3.481 -10.341 1.00 0.00 H new ATOM 0 HG23 VAL C 215 -18.989 -4.583 -8.953 1.00 0.00 H new ATOM 1476 N ILE C 216 -22.247 -3.179 -6.405 1.00 0.00 N ATOM 1477 CA ILE C 216 -23.415 -3.142 -5.547 1.00 0.00 C ATOM 1478 C ILE C 216 -23.659 -1.717 -5.072 1.00 0.00 C ATOM 1479 O ILE C 216 -24.677 -1.115 -5.407 1.00 0.00 O ATOM 1480 CB ILE C 216 -23.205 -4.080 -4.362 1.00 0.00 C ATOM 1481 CG1 ILE C 216 -23.427 -5.522 -4.808 1.00 0.00 C ATOM 1482 CG2 ILE C 216 -24.196 -3.731 -3.255 1.00 0.00 C ATOM 1483 CD1 ILE C 216 -22.699 -6.467 -3.856 1.00 0.00 C ATOM 0 H ILE C 216 -21.423 -3.599 -5.974 1.00 0.00 H new ATOM 0 HA ILE C 216 -24.292 -3.474 -6.103 1.00 0.00 H new ATOM 0 HB ILE C 216 -22.188 -3.969 -3.987 1.00 0.00 H new ATOM 0 HG12 ILE C 216 -24.493 -5.750 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE C 216 -23.060 -5.660 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE C 216 -24.046 -4.401 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE C 216 -24.037 -2.701 -2.936 1.00 0.00 H new ATOM 0 HG23 ILE C 216 -25.214 -3.841 -3.630 1.00 0.00 H new ATOM 0 HD11 ILE C 216 -22.857 -7.497 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE C 216 -21.632 -6.244 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE C 216 -23.087 -6.336 -2.846 1.00 0.00 H new ATOM 1495 N ALA C 217 -22.722 -1.177 -4.289 1.00 0.00 N ATOM 1496 CA ALA C 217 -22.841 0.171 -3.772 1.00 0.00 C ATOM 1497 C ALA C 217 -23.085 1.143 -4.918 1.00 0.00 C ATOM 1498 O ALA C 217 -23.673 2.204 -4.721 1.00 0.00 O ATOM 1499 CB ALA C 217 -21.569 0.538 -3.014 1.00 0.00 C ATOM 0 H ALA C 217 -21.872 -1.663 -4.003 1.00 0.00 H new ATOM 0 HA ALA C 217 -23.686 0.229 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA C 217 -21.657 1.552 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA C 217 -21.425 -0.157 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA C 217 -20.714 0.482 -3.688 1.00 0.00 H new ATOM 1505 N MET C 218 -22.632 0.777 -6.119 1.00 0.00 N ATOM 1506 CA MET C 218 -22.802 1.619 -7.287 1.00 0.00 C ATOM 1507 C MET C 218 -24.277 1.711 -7.648 1.00 0.00 C ATOM 1508 O MET C 218 -24.851 2.798 -7.660 1.00 0.00 O ATOM 1509 CB MET C 218 -21.996 1.043 -8.448 1.00 0.00 C ATOM 1510 CG MET C 218 -20.509 1.278 -8.202 1.00 0.00 C ATOM 1511 SD MET C 218 -19.426 0.148 -9.111 1.00 0.00 S ATOM 1512 CE MET C 218 -20.453 -0.121 -10.577 1.00 0.00 C ATOM 0 H MET C 218 -22.145 -0.101 -6.300 1.00 0.00 H new ATOM 0 HA MET C 218 -22.439 2.624 -7.072 1.00 0.00 H new ATOM 0 HB2 MET C 218 -22.195 -0.024 -8.548 1.00 0.00 H new ATOM 0 HB3 MET C 218 -22.299 1.513 -9.384 1.00 0.00 H new ATOM 0 HG2 MET C 218 -20.263 2.303 -8.479 1.00 0.00 H new ATOM 0 HG3 MET C 218 -20.307 1.179 -7.135 1.00 0.00 H new ATOM 0 HE1 MET C 218 -19.913 -0.743 -11.291 1.00 0.00 H new ATOM 0 HE2 MET C 218 -21.377 -0.621 -10.287 1.00 0.00 H new ATOM 0 HE3 MET C 218 -20.689 0.839 -11.037 1.00 0.00 H new