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 157:sc= -8.72! (180deg=-2.04!) USER MOD Set 1.2: B 118 MET CE :methyl 169:sc= -9.71! (180deg=-2.13!) USER MOD Set 1.3: C 218 MET CE :methyl 162:sc= -9.15! (180deg=-2.12!) USER MOD Single : A 3 THR OG1 : rot -100:sc= -0.572 USER MOD Single : A 4 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.0024) USER MOD Single : A 13 THR OG1 : rot 105:sc= 1.19 USER MOD Single : B 103 THR OG1 : rot -100:sc= -0.481 USER MOD Single : B 104 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.0078) USER MOD Single : B 113 THR OG1 : rot 92:sc= 1.17 USER MOD Single : C 203 THR OG1 : rot -100:sc= -0.589 USER MOD Single : C 204 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : C 213 THR OG1 : rot 101:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 3 -1.310 -3.190 -1.789 1.00 0.00 N ATOM 39 CA THR A 3 -2.739 -3.247 -2.026 1.00 0.00 C ATOM 40 C THR A 3 -3.061 -2.666 -3.395 1.00 0.00 C ATOM 41 O THR A 3 -3.989 -3.117 -4.063 1.00 0.00 O ATOM 42 CB THR A 3 -3.466 -2.476 -0.928 1.00 0.00 C ATOM 43 OG1 THR A 3 -4.848 -2.454 -1.206 1.00 0.00 O ATOM 44 CG2 THR A 3 -2.935 -1.047 -0.871 1.00 0.00 C ATOM 0 HA THR A 3 -3.072 -4.285 -2.007 1.00 0.00 H new ATOM 0 HB THR A 3 -3.296 -2.964 0.032 1.00 0.00 H new ATOM 0 HG1 THR A 3 -5.088 -1.592 -1.606 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.455 -0.497 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.867 -1.064 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.104 -0.558 -1.830 1.00 0.00 H new ATOM 52 N ASN A 4 -2.289 -1.661 -3.814 1.00 0.00 N ATOM 53 CA ASN A 4 -2.495 -1.025 -5.099 1.00 0.00 C ATOM 54 C ASN A 4 -2.771 -2.079 -6.162 1.00 0.00 C ATOM 55 O ASN A 4 -3.749 -1.980 -6.900 1.00 0.00 O ATOM 56 CB ASN A 4 -1.261 -0.203 -5.462 1.00 0.00 C ATOM 57 CG ASN A 4 -1.137 -0.045 -6.970 1.00 0.00 C ATOM 58 OD1 ASN A 4 -0.123 -0.423 -7.554 1.00 0.00 O ATOM 59 ND2 ASN A 4 -2.173 0.512 -7.601 1.00 0.00 N ATOM 0 H ASN A 4 -1.515 -1.275 -3.273 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.357 -0.360 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.323 0.779 -4.993 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.368 -0.688 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.145 0.640 -8.613 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.993 0.810 -7.072 1.00 0.00 H new ATOM 66 N LEU A 5 -1.905 -3.092 -6.236 1.00 0.00 N ATOM 67 CA LEU A 5 -2.057 -4.159 -7.205 1.00 0.00 C ATOM 68 C LEU A 5 -3.516 -4.588 -7.276 1.00 0.00 C ATOM 69 O LEU A 5 -4.082 -4.697 -8.361 1.00 0.00 O ATOM 70 CB LEU A 5 -1.168 -5.335 -6.810 1.00 0.00 C ATOM 71 CG LEU A 5 0.231 -5.129 -7.383 1.00 0.00 C ATOM 72 CD1 LEU A 5 1.104 -6.333 -7.041 1.00 0.00 C ATOM 73 CD2 LEU A 5 0.142 -4.980 -8.900 1.00 0.00 C ATOM 0 H LEU A 5 -1.090 -3.188 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.754 -3.805 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.119 -5.419 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.592 -6.267 -7.184 1.00 0.00 H new ATOM 0 HG LEU A 5 0.670 -4.228 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.103 -6.186 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.168 -6.440 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.665 -7.234 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.141 -4.833 -9.310 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.297 -5.881 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.481 -4.120 -9.145 1.00 0.00 H new ATOM 85 N GLU A 6 -4.125 -4.830 -6.112 1.00 0.00 N ATOM 86 CA GLU A 6 -5.513 -5.243 -6.050 1.00 0.00 C ATOM 87 C GLU A 6 -6.409 -4.134 -6.585 1.00 0.00 C ATOM 88 O GLU A 6 -7.461 -4.405 -7.160 1.00 0.00 O ATOM 89 CB GLU A 6 -5.877 -5.584 -4.608 1.00 0.00 C ATOM 90 CG GLU A 6 -5.134 -6.846 -4.181 1.00 0.00 C ATOM 91 CD GLU A 6 -3.641 -6.713 -4.444 1.00 0.00 C ATOM 92 OE1 GLU A 6 -2.996 -5.958 -3.684 1.00 0.00 O ATOM 93 OE2 GLU A 6 -3.172 -7.368 -5.399 1.00 0.00 O ATOM 0 H GLU A 6 -3.670 -4.744 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.660 -6.129 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.616 -4.755 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.953 -5.735 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.305 -7.032 -3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.528 -7.706 -4.723 1.00 0.00 H new ATOM 101 N ILE A 7 -5.987 -2.882 -6.394 1.00 0.00 N ATOM 102 CA ILE A 7 -6.747 -1.738 -6.857 1.00 0.00 C ATOM 103 C ILE A 7 -6.804 -1.739 -8.378 1.00 0.00 C ATOM 104 O ILE A 7 -7.769 -1.255 -8.965 1.00 0.00 O ATOM 105 CB ILE A 7 -6.102 -0.456 -6.339 1.00 0.00 C ATOM 106 CG1 ILE A 7 -5.804 -0.601 -4.849 1.00 0.00 C ATOM 107 CG2 ILE A 7 -7.055 0.716 -6.555 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.558 0.777 -4.243 1.00 0.00 C ATOM 0 H ILE A 7 -5.117 -2.643 -5.918 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.767 -1.794 -6.476 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.173 -0.274 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.640 -1.087 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.930 -1.236 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.595 1.632 -6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.268 0.821 -7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.984 0.533 -6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.345 0.674 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.708 1.246 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.444 1.397 -4.377 1.00 0.00 H new ATOM 120 N ILE A 8 -5.765 -2.284 -9.016 1.00 0.00 N ATOM 121 CA ILE A 8 -5.701 -2.347 -10.462 1.00 0.00 C ATOM 122 C ILE A 8 -6.605 -3.462 -10.969 1.00 0.00 C ATOM 123 O ILE A 8 -7.311 -3.287 -11.960 1.00 0.00 O ATOM 124 CB ILE A 8 -4.257 -2.581 -10.897 1.00 0.00 C ATOM 125 CG1 ILE A 8 -3.422 -1.345 -10.575 1.00 0.00 C ATOM 126 CG2 ILE A 8 -4.215 -2.846 -12.399 1.00 0.00 C ATOM 127 CD1 ILE A 8 -1.959 -1.747 -10.412 1.00 0.00 C ATOM 0 H ILE A 8 -4.957 -2.688 -8.543 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.046 -1.404 -10.887 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.852 -3.442 -10.365 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.521 -0.608 -11.372 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.785 -0.876 -9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.184 -3.013 -12.710 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.811 -3.729 -12.630 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.620 -1.986 -12.932 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.363 -0.864 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.868 -2.468 -9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.600 -2.196 -11.338 1.00 0.00 H new ATOM 139 N ILE A 9 -6.582 -4.609 -10.287 1.00 0.00 N ATOM 140 CA ILE A 9 -7.398 -5.744 -10.669 1.00 0.00 C ATOM 141 C ILE A 9 -8.837 -5.516 -10.227 1.00 0.00 C ATOM 142 O ILE A 9 -9.761 -6.094 -10.794 1.00 0.00 O ATOM 143 CB ILE A 9 -6.832 -7.013 -10.038 1.00 0.00 C ATOM 144 CG1 ILE A 9 -5.447 -7.294 -10.613 1.00 0.00 C ATOM 145 CG2 ILE A 9 -7.757 -8.188 -10.340 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.729 -8.316 -9.736 1.00 0.00 C ATOM 0 H ILE A 9 -6.001 -4.768 -9.464 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.385 -5.858 -11.753 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.756 -6.879 -8.959 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.534 -7.671 -11.632 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.868 -6.372 -10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.353 -9.094 -9.889 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.746 -7.988 -9.928 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.834 -8.322 -11.419 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.740 -8.517 -10.147 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.629 -7.921 -8.725 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.305 -9.241 -9.709 1.00 0.00 H new ATOM 158 N LEU A 10 -9.024 -4.670 -9.211 1.00 0.00 N ATOM 159 CA LEU A 10 -10.346 -4.371 -8.699 1.00 0.00 C ATOM 160 C LEU A 10 -10.973 -3.247 -9.512 1.00 0.00 C ATOM 161 O LEU A 10 -12.110 -3.362 -9.963 1.00 0.00 O ATOM 162 CB LEU A 10 -10.245 -3.981 -7.227 1.00 0.00 C ATOM 163 CG LEU A 10 -10.072 -5.237 -6.379 1.00 0.00 C ATOM 164 CD1 LEU A 10 -10.199 -4.876 -4.902 1.00 0.00 C ATOM 165 CD2 LEU A 10 -11.150 -6.253 -6.749 1.00 0.00 C ATOM 0 H LEU A 10 -8.267 -4.183 -8.731 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.981 -5.253 -8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.401 -3.308 -7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.142 -3.443 -6.920 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.088 -5.667 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.075 -5.774 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.430 -4.151 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.183 -4.445 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.027 -7.151 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.134 -5.823 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.059 -6.512 -7.804 1.00 0.00 H new ATOM 177 N GLU A 11 -10.225 -2.156 -9.699 1.00 0.00 N ATOM 178 CA GLU A 11 -10.711 -1.021 -10.457 1.00 0.00 C ATOM 179 C GLU A 11 -11.065 -1.454 -11.873 1.00 0.00 C ATOM 180 O GLU A 11 -12.071 -1.017 -12.428 1.00 0.00 O ATOM 181 CB GLU A 11 -9.644 0.070 -10.477 1.00 0.00 C ATOM 182 CG GLU A 11 -9.546 0.711 -9.095 1.00 0.00 C ATOM 183 CD GLU A 11 -10.727 1.636 -8.841 1.00 0.00 C ATOM 184 OE1 GLU A 11 -11.106 2.349 -9.795 1.00 0.00 O ATOM 185 OE2 GLU A 11 -11.229 1.613 -7.696 1.00 0.00 O ATOM 0 H GLU A 11 -9.280 -2.044 -9.331 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.611 -0.625 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.681 -0.353 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.894 0.825 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.516 -0.066 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.615 1.273 -9.015 1.00 0.00 H new ATOM 193 N GLY A 12 -10.233 -2.319 -12.458 1.00 0.00 N ATOM 194 CA GLY A 12 -10.464 -2.806 -13.803 1.00 0.00 C ATOM 195 C GLY A 12 -11.619 -3.797 -13.814 1.00 0.00 C ATOM 196 O GLY A 12 -12.603 -3.603 -14.524 1.00 0.00 O ATOM 0 H GLY A 12 -9.394 -2.692 -12.013 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.686 -1.970 -14.467 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.562 -3.284 -14.184 1.00 0.00 H new ATOM 200 N THR A 13 -11.496 -4.865 -13.023 1.00 0.00 N ATOM 201 CA THR A 13 -12.528 -5.879 -12.946 1.00 0.00 C ATOM 202 C THR A 13 -13.846 -5.247 -12.522 1.00 0.00 C ATOM 203 O THR A 13 -14.916 -5.771 -12.821 1.00 0.00 O ATOM 204 CB THR A 13 -12.104 -6.961 -11.957 1.00 0.00 C ATOM 205 OG1 THR A 13 -10.977 -7.643 -12.461 1.00 0.00 O ATOM 206 CG2 THR A 13 -13.251 -7.949 -11.762 1.00 0.00 C ATOM 0 H THR A 13 -10.686 -5.042 -12.429 1.00 0.00 H new ATOM 0 HA THR A 13 -12.667 -6.335 -13.926 1.00 0.00 H new ATOM 0 HB THR A 13 -11.853 -6.502 -11.001 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.175 -7.350 -11.979 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.949 -8.722 -11.056 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.123 -7.423 -11.373 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.502 -8.409 -12.718 1.00 0.00 H new ATOM 214 N ALA A 14 -13.764 -4.114 -11.820 1.00 0.00 N ATOM 215 CA ALA A 14 -14.946 -3.415 -11.357 1.00 0.00 C ATOM 216 C ALA A 14 -15.694 -2.824 -12.543 1.00 0.00 C ATOM 217 O ALA A 14 -16.834 -3.197 -12.810 1.00 0.00 O ATOM 218 CB ALA A 14 -14.537 -2.320 -10.376 1.00 0.00 C ATOM 0 H ALA A 14 -12.884 -3.667 -11.563 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.609 -4.113 -10.846 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.425 -1.794 -10.027 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.023 -2.767 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.870 -1.616 -10.874 1.00 0.00 H new ATOM 224 N VAL A 15 -15.048 -1.898 -13.257 1.00 0.00 N ATOM 225 CA VAL A 15 -15.653 -1.261 -14.409 1.00 0.00 C ATOM 226 C VAL A 15 -15.795 -2.269 -15.540 1.00 0.00 C ATOM 227 O VAL A 15 -16.604 -2.080 -16.445 1.00 0.00 O ATOM 228 CB VAL A 15 -14.795 -0.077 -14.843 1.00 0.00 C ATOM 229 CG1 VAL A 15 -15.633 0.877 -15.689 1.00 0.00 C ATOM 230 CG2 VAL A 15 -14.279 0.657 -13.609 1.00 0.00 C ATOM 0 H VAL A 15 -14.102 -1.578 -13.049 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.646 -0.896 -14.148 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.951 -0.437 -15.431 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.020 1.723 -15.999 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -16.001 0.353 -16.571 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.478 1.237 -15.102 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.666 1.503 -13.919 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.123 1.017 -13.020 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.679 -0.024 -13.005 1.00 0.00 H new ATOM 240 N ILE A 16 -15.004 -3.344 -15.486 1.00 0.00 N ATOM 241 CA ILE A 16 -15.045 -4.377 -16.502 1.00 0.00 C ATOM 242 C ILE A 16 -16.260 -5.266 -16.283 1.00 0.00 C ATOM 243 O ILE A 16 -17.163 -5.302 -17.116 1.00 0.00 O ATOM 244 CB ILE A 16 -13.757 -5.194 -16.447 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.619 -4.395 -17.074 1.00 0.00 C ATOM 246 CG2 ILE A 16 -13.949 -6.497 -17.218 1.00 0.00 C ATOM 247 CD1 ILE A 16 -11.287 -4.868 -16.498 1.00 0.00 C ATOM 0 H ILE A 16 -14.327 -3.514 -14.742 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.127 -3.921 -17.489 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.513 -5.418 -15.408 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.625 -4.522 -18.157 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.755 -3.332 -16.877 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.030 -7.081 -17.179 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.762 -7.069 -16.770 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.193 -6.273 -18.256 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.474 -4.297 -16.946 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.284 -4.718 -15.418 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.151 -5.927 -16.718 1.00 0.00 H new ATOM 259 N ALA A 17 -16.282 -5.986 -15.159 1.00 0.00 N ATOM 260 CA ALA A 17 -17.383 -6.870 -14.838 1.00 0.00 C ATOM 261 C ALA A 17 -18.701 -6.120 -14.965 1.00 0.00 C ATOM 262 O ALA A 17 -19.721 -6.707 -15.319 1.00 0.00 O ATOM 263 CB ALA A 17 -17.204 -7.412 -13.422 1.00 0.00 C ATOM 0 H ALA A 17 -15.541 -5.967 -14.458 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.396 -7.708 -15.535 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.033 -8.078 -13.180 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -16.266 -7.963 -13.359 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.186 -6.583 -12.715 1.00 0.00 H new ATOM 269 N MET A 18 -18.678 -4.817 -14.675 1.00 0.00 N ATOM 270 CA MET A 18 -19.869 -3.996 -14.757 1.00 0.00 C ATOM 271 C MET A 18 -20.328 -3.891 -16.205 1.00 0.00 C ATOM 272 O MET A 18 -21.441 -4.291 -16.539 1.00 0.00 O ATOM 273 CB MET A 18 -19.574 -2.614 -14.183 1.00 0.00 C ATOM 274 CG MET A 18 -19.886 -2.606 -12.689 1.00 0.00 C ATOM 275 SD MET A 18 -20.018 -0.948 -11.975 1.00 0.00 S ATOM 276 CE MET A 18 -20.900 -0.122 -13.322 1.00 0.00 C ATOM 0 H MET A 18 -17.840 -4.315 -14.381 1.00 0.00 H new ATOM 0 HA MET A 18 -20.670 -4.454 -14.176 1.00 0.00 H new ATOM 0 HB2 MET A 18 -18.528 -2.356 -14.348 1.00 0.00 H new ATOM 0 HB3 MET A 18 -20.173 -1.861 -14.694 1.00 0.00 H new ATOM 0 HG2 MET A 18 -20.822 -3.139 -12.521 1.00 0.00 H new ATOM 0 HG3 MET A 18 -19.107 -3.157 -12.162 1.00 0.00 H new ATOM 0 HE1 MET A 18 -21.423 0.751 -12.933 1.00 0.00 H new ATOM 0 HE2 MET A 18 -20.188 0.192 -14.085 1.00 0.00 H new ATOM 0 HE3 MET A 18 -21.622 -0.811 -13.761 1.00 0.00 H new ATOM 656 N THR B 103 -8.539 -4.105 5.616 1.00 0.00 N ATOM 657 CA THR B 103 -8.859 -4.099 4.203 1.00 0.00 C ATOM 658 C THR B 103 -9.908 -3.035 3.913 1.00 0.00 C ATOM 659 O THR B 103 -9.905 -2.428 2.845 1.00 0.00 O ATOM 660 CB THR B 103 -9.361 -5.479 3.790 1.00 0.00 C ATOM 661 OG1 THR B 103 -9.756 -5.450 2.436 1.00 0.00 O ATOM 662 CG2 THR B 103 -10.553 -5.869 4.659 1.00 0.00 C ATOM 0 HA THR B 103 -7.964 -3.864 3.626 1.00 0.00 H new ATOM 0 HB THR B 103 -8.562 -6.209 3.920 1.00 0.00 H new ATOM 0 HG1 THR B 103 -10.731 -5.368 2.381 1.00 0.00 H new ATOM 0 HG21 THR B 103 -10.911 -6.855 4.364 1.00 0.00 H new ATOM 0 HG22 THR B 103 -10.248 -5.892 5.705 1.00 0.00 H new ATOM 0 HG23 THR B 103 -11.352 -5.139 4.530 1.00 0.00 H new ATOM 670 N ASN B 104 -10.810 -2.811 4.872 1.00 0.00 N ATOM 671 CA ASN B 104 -11.859 -1.823 4.717 1.00 0.00 C ATOM 672 C ASN B 104 -11.291 -0.557 4.091 1.00 0.00 C ATOM 673 O ASN B 104 -11.827 -0.052 3.108 1.00 0.00 O ATOM 674 CB ASN B 104 -12.477 -1.522 6.080 1.00 0.00 C ATOM 675 CG ASN B 104 -13.089 -0.129 6.103 1.00 0.00 C ATOM 676 OD1 ASN B 104 -12.720 0.699 6.933 1.00 0.00 O ATOM 677 ND2 ASN B 104 -14.025 0.129 5.187 1.00 0.00 N ATOM 0 H ASN B 104 -10.827 -3.307 5.763 1.00 0.00 H new ATOM 0 HA ASN B 104 -12.635 -2.212 4.057 1.00 0.00 H new ATOM 0 HB2 ASN B 104 -13.242 -2.264 6.308 1.00 0.00 H new ATOM 0 HB3 ASN B 104 -11.715 -1.602 6.855 1.00 0.00 H new ATOM 0 HD21 ASN B 104 -14.468 1.047 5.155 1.00 0.00 H new ATOM 0 HD22 ASN B 104 -14.297 -0.592 4.519 1.00 0.00 H new ATOM 684 N LEU B 105 -10.200 -0.045 4.666 1.00 0.00 N ATOM 685 CA LEU B 105 -9.563 1.156 4.164 1.00 0.00 C ATOM 686 C LEU B 105 -9.498 1.111 2.644 1.00 0.00 C ATOM 687 O LEU B 105 -9.869 2.072 1.975 1.00 0.00 O ATOM 688 CB LEU B 105 -8.164 1.277 4.761 1.00 0.00 C ATOM 689 CG LEU B 105 -8.246 1.986 6.110 1.00 0.00 C ATOM 690 CD1 LEU B 105 -6.841 2.162 6.678 1.00 0.00 C ATOM 691 CD2 LEU B 105 -8.896 3.354 5.926 1.00 0.00 C ATOM 0 H LEU B 105 -9.744 -0.452 5.483 1.00 0.00 H new ATOM 0 HA LEU B 105 -10.146 2.029 4.457 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -7.723 0.288 4.884 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -7.515 1.833 4.085 1.00 0.00 H new ATOM 0 HG LEU B 105 -8.844 1.389 6.799 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -6.899 2.668 7.642 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -6.376 1.185 6.809 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -6.242 2.759 5.990 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -8.955 3.861 6.889 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -8.298 3.951 5.237 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -9.900 3.228 5.520 1.00 0.00 H new ATOM 703 N GLU B 106 -9.025 -0.013 2.099 1.00 0.00 N ATOM 704 CA GLU B 106 -8.917 -0.176 0.664 1.00 0.00 C ATOM 705 C GLU B 106 -10.301 -0.149 0.031 1.00 0.00 C ATOM 706 O GLU B 106 -10.462 0.301 -1.101 1.00 0.00 O ATOM 707 CB GLU B 106 -8.207 -1.492 0.355 1.00 0.00 C ATOM 708 CG GLU B 106 -6.750 -1.399 0.796 1.00 0.00 C ATOM 709 CD GLU B 106 -6.648 -0.955 2.248 1.00 0.00 C ATOM 710 OE1 GLU B 106 -6.962 -1.794 3.121 1.00 0.00 O ATOM 711 OE2 GLU B 106 -6.260 0.214 2.458 1.00 0.00 O ATOM 0 H GLU B 106 -8.713 -0.820 2.639 1.00 0.00 H new ATOM 0 HA GLU B 106 -8.335 0.645 0.246 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -8.702 -2.315 0.871 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -8.262 -1.705 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -6.266 -2.368 0.673 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -6.217 -0.694 0.158 1.00 0.00 H new ATOM 719 N ILE B 107 -11.304 -0.632 0.769 1.00 0.00 N ATOM 720 CA ILE B 107 -12.669 -0.661 0.283 1.00 0.00 C ATOM 721 C ILE B 107 -13.178 0.762 0.096 1.00 0.00 C ATOM 722 O ILE B 107 -14.019 1.013 -0.765 1.00 0.00 O ATOM 723 CB ILE B 107 -13.545 -1.423 1.273 1.00 0.00 C ATOM 724 CG1 ILE B 107 -12.860 -2.732 1.656 1.00 0.00 C ATOM 725 CG2 ILE B 107 -14.895 -1.725 0.629 1.00 0.00 C ATOM 726 CD1 ILE B 107 -13.880 -3.673 2.291 1.00 0.00 C ATOM 0 H ILE B 107 -11.186 -1.008 1.710 1.00 0.00 H new ATOM 0 HA ILE B 107 -12.706 -1.170 -0.680 1.00 0.00 H new ATOM 0 HB ILE B 107 -13.696 -0.817 2.166 1.00 0.00 H new ATOM 0 HG12 ILE B 107 -12.421 -3.197 0.773 1.00 0.00 H new ATOM 0 HG13 ILE B 107 -12.045 -2.538 2.353 1.00 0.00 H new ATOM 0 HG21 ILE B 107 -15.522 -2.269 1.336 1.00 0.00 H new ATOM 0 HG22 ILE B 107 -15.385 -0.790 0.355 1.00 0.00 H new ATOM 0 HG23 ILE B 107 -14.745 -2.331 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE B 107 -13.391 -4.608 2.565 1.00 0.00 H new ATOM 0 HD12 ILE B 107 -14.298 -3.207 3.183 1.00 0.00 H new ATOM 0 HD13 ILE B 107 -14.680 -3.877 1.579 1.00 0.00 H new ATOM 738 N ILE B 108 -12.665 1.693 0.903 1.00 0.00 N ATOM 739 CA ILE B 108 -13.067 3.083 0.823 1.00 0.00 C ATOM 740 C ILE B 108 -12.397 3.744 -0.374 1.00 0.00 C ATOM 741 O ILE B 108 -13.031 4.509 -1.098 1.00 0.00 O ATOM 742 CB ILE B 108 -12.690 3.797 2.117 1.00 0.00 C ATOM 743 CG1 ILE B 108 -13.548 3.264 3.261 1.00 0.00 C ATOM 744 CG2 ILE B 108 -12.928 5.296 1.959 1.00 0.00 C ATOM 745 CD1 ILE B 108 -12.815 3.468 4.584 1.00 0.00 C ATOM 0 H ILE B 108 -11.967 1.499 1.621 1.00 0.00 H new ATOM 0 HA ILE B 108 -14.147 3.147 0.691 1.00 0.00 H new ATOM 0 HB ILE B 108 -11.638 3.617 2.338 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -14.508 3.780 3.281 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -13.759 2.205 3.109 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -12.659 5.807 2.884 1.00 0.00 H new ATOM 0 HG22 ILE B 108 -12.315 5.678 1.142 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -13.980 5.476 1.738 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -13.427 3.088 5.402 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -11.866 2.932 4.561 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -12.627 4.531 4.736 1.00 0.00 H new ATOM 757 N ILE B 109 -11.112 3.447 -0.581 1.00 0.00 N ATOM 758 CA ILE B 109 -10.364 4.010 -1.687 1.00 0.00 C ATOM 759 C ILE B 109 -10.732 3.292 -2.977 1.00 0.00 C ATOM 760 O ILE B 109 -10.580 3.846 -4.063 1.00 0.00 O ATOM 761 CB ILE B 109 -8.869 3.886 -1.404 1.00 0.00 C ATOM 762 CG1 ILE B 109 -8.507 4.738 -0.192 1.00 0.00 C ATOM 763 CG2 ILE B 109 -8.081 4.368 -2.619 1.00 0.00 C ATOM 764 CD1 ILE B 109 -7.126 4.336 0.319 1.00 0.00 C ATOM 0 H ILE B 109 -10.573 2.815 0.011 1.00 0.00 H new ATOM 0 HA ILE B 109 -10.612 5.065 -1.800 1.00 0.00 H new ATOM 0 HB ILE B 109 -8.623 2.844 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -8.513 5.794 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -9.250 4.605 0.594 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -7.013 4.280 -2.418 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -8.339 3.759 -3.485 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -8.327 5.410 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -6.867 4.945 1.185 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -7.136 3.284 0.605 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -6.388 4.492 -0.468 1.00 0.00 H new ATOM 776 N LEU B 110 -11.218 2.054 -2.855 1.00 0.00 N ATOM 777 CA LEU B 110 -11.605 1.267 -4.009 1.00 0.00 C ATOM 778 C LEU B 110 -13.039 1.596 -4.402 1.00 0.00 C ATOM 779 O LEU B 110 -13.319 1.876 -5.565 1.00 0.00 O ATOM 780 CB LEU B 110 -11.460 -0.217 -3.684 1.00 0.00 C ATOM 781 CG LEU B 110 -9.989 -0.613 -3.761 1.00 0.00 C ATOM 782 CD1 LEU B 110 -9.864 -2.131 -3.663 1.00 0.00 C ATOM 783 CD2 LEU B 110 -9.402 -0.138 -5.087 1.00 0.00 C ATOM 0 H LEU B 110 -11.350 1.581 -1.961 1.00 0.00 H new ATOM 0 HA LEU B 110 -10.955 1.506 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -11.851 -0.422 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -12.045 -0.813 -4.385 1.00 0.00 H new ATOM 0 HG LEU B 110 -9.445 -0.150 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -8.813 -2.414 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -10.282 -2.470 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -10.408 -2.595 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -8.351 -0.421 -5.142 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -9.945 -0.599 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -9.490 0.946 -5.156 1.00 0.00 H new ATOM 795 N GLU B 111 -13.948 1.561 -3.425 1.00 0.00 N ATOM 796 CA GLU B 111 -15.345 1.856 -3.674 1.00 0.00 C ATOM 797 C GLU B 111 -15.486 3.262 -4.242 1.00 0.00 C ATOM 798 O GLU B 111 -16.285 3.494 -5.147 1.00 0.00 O ATOM 799 CB GLU B 111 -16.133 1.717 -2.374 1.00 0.00 C ATOM 800 CG GLU B 111 -16.237 0.242 -1.998 1.00 0.00 C ATOM 801 CD GLU B 111 -17.246 -0.474 -2.884 1.00 0.00 C ATOM 802 OE1 GLU B 111 -18.302 0.140 -3.153 1.00 0.00 O ATOM 803 OE2 GLU B 111 -16.943 -1.622 -3.277 1.00 0.00 O ATOM 0 H GLU B 111 -13.733 1.330 -2.455 1.00 0.00 H new ATOM 0 HA GLU B 111 -15.743 1.151 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -15.640 2.273 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -17.129 2.144 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -15.260 -0.232 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -16.534 0.149 -0.953 1.00 0.00 H new ATOM 811 N GLY B 112 -14.704 4.203 -3.707 1.00 0.00 N ATOM 812 CA GLY B 112 -14.746 5.577 -4.163 1.00 0.00 C ATOM 813 C GLY B 112 -14.083 5.701 -5.528 1.00 0.00 C ATOM 814 O GLY B 112 -14.704 6.152 -6.487 1.00 0.00 O ATOM 0 H GLY B 112 -14.036 4.029 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -15.780 5.917 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -14.239 6.221 -3.445 1.00 0.00 H new ATOM 818 N THR B 113 -12.813 5.296 -5.612 1.00 0.00 N ATOM 819 CA THR B 113 -12.074 5.363 -6.857 1.00 0.00 C ATOM 820 C THR B 113 -12.796 4.564 -7.932 1.00 0.00 C ATOM 821 O THR B 113 -12.639 4.833 -9.122 1.00 0.00 O ATOM 822 CB THR B 113 -10.663 4.825 -6.639 1.00 0.00 C ATOM 823 OG1 THR B 113 -9.962 5.683 -5.767 1.00 0.00 O ATOM 824 CG2 THR B 113 -9.933 4.754 -7.977 1.00 0.00 C ATOM 0 H THR B 113 -12.282 4.919 -4.827 1.00 0.00 H new ATOM 0 HA THR B 113 -12.007 6.399 -7.188 1.00 0.00 H new ATOM 0 HB THR B 113 -10.718 3.828 -6.202 1.00 0.00 H new ATOM 0 HG1 THR B 113 -10.079 5.377 -4.843 1.00 0.00 H new ATOM 0 HG21 THR B 113 -8.925 4.370 -7.822 1.00 0.00 H new ATOM 0 HG22 THR B 113 -10.474 4.091 -8.652 1.00 0.00 H new ATOM 0 HG23 THR B 113 -9.878 5.751 -8.415 1.00 0.00 H new ATOM 832 N ALA B 114 -13.590 3.577 -7.510 1.00 0.00 N ATOM 833 CA ALA B 114 -14.331 2.743 -8.434 1.00 0.00 C ATOM 834 C ALA B 114 -15.424 3.563 -9.105 1.00 0.00 C ATOM 835 O ALA B 114 -15.409 3.745 -10.321 1.00 0.00 O ATOM 836 CB ALA B 114 -14.928 1.558 -7.682 1.00 0.00 C ATOM 0 H ALA B 114 -13.731 3.342 -6.527 1.00 0.00 H new ATOM 0 HA ALA B 114 -13.662 2.365 -9.207 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -15.486 0.930 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -14.127 0.974 -7.228 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -15.598 1.922 -6.903 1.00 0.00 H new ATOM 842 N VAL B 115 -16.375 4.057 -8.309 1.00 0.00 N ATOM 843 CA VAL B 115 -17.469 4.853 -8.827 1.00 0.00 C ATOM 844 C VAL B 115 -16.945 6.197 -9.312 1.00 0.00 C ATOM 845 O VAL B 115 -17.589 6.862 -10.120 1.00 0.00 O ATOM 846 CB VAL B 115 -18.520 5.043 -7.737 1.00 0.00 C ATOM 847 CG1 VAL B 115 -19.856 5.412 -8.376 1.00 0.00 C ATOM 848 CG2 VAL B 115 -18.674 3.747 -6.947 1.00 0.00 C ATOM 0 H VAL B 115 -16.401 3.914 -7.299 1.00 0.00 H new ATOM 0 HA VAL B 115 -17.929 4.340 -9.671 1.00 0.00 H new ATOM 0 HB VAL B 115 -18.206 5.842 -7.066 1.00 0.00 H new ATOM 0 HG11 VAL B 115 -20.607 5.548 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL B 115 -19.746 6.339 -8.940 1.00 0.00 H new ATOM 0 HG13 VAL B 115 -20.171 4.614 -9.048 1.00 0.00 H new ATOM 0 HG21 VAL B 115 -19.425 3.883 -6.168 1.00 0.00 H new ATOM 0 HG22 VAL B 115 -18.987 2.947 -7.618 1.00 0.00 H new ATOM 0 HG23 VAL B 115 -17.720 3.484 -6.490 1.00 0.00 H new ATOM 858 N ILE B 116 -15.771 6.595 -8.816 1.00 0.00 N ATOM 859 CA ILE B 116 -15.164 7.854 -9.200 1.00 0.00 C ATOM 860 C ILE B 116 -14.532 7.721 -10.578 1.00 0.00 C ATOM 861 O ILE B 116 -14.966 8.372 -11.527 1.00 0.00 O ATOM 862 CB ILE B 116 -14.119 8.252 -8.161 1.00 0.00 C ATOM 863 CG1 ILE B 116 -14.819 8.783 -6.913 1.00 0.00 C ATOM 864 CG2 ILE B 116 -13.216 9.338 -8.739 1.00 0.00 C ATOM 865 CD1 ILE B 116 -13.909 8.597 -5.702 1.00 0.00 C ATOM 0 H ILE B 116 -15.226 6.054 -8.145 1.00 0.00 H new ATOM 0 HA ILE B 116 -15.926 8.632 -9.245 1.00 0.00 H new ATOM 0 HB ILE B 116 -13.518 7.382 -7.898 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -15.062 9.838 -7.040 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -15.760 8.255 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -12.469 9.623 -7.998 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -12.716 8.959 -9.630 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -13.817 10.209 -9.002 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -14.408 8.976 -4.810 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -13.689 7.537 -5.572 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -12.979 9.145 -5.858 1.00 0.00 H new ATOM 877 N ALA B 117 -13.505 6.876 -10.688 1.00 0.00 N ATOM 878 CA ALA B 117 -12.820 6.664 -11.947 1.00 0.00 C ATOM 879 C ALA B 117 -13.833 6.353 -13.039 1.00 0.00 C ATOM 880 O ALA B 117 -13.628 6.702 -14.199 1.00 0.00 O ATOM 881 CB ALA B 117 -11.820 5.521 -11.795 1.00 0.00 C ATOM 0 H ALA B 117 -13.134 6.329 -9.911 1.00 0.00 H new ATOM 0 HA ALA B 117 -12.279 7.568 -12.228 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -11.304 5.361 -12.742 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -11.093 5.774 -11.024 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -12.348 4.611 -11.511 1.00 0.00 H new ATOM 887 N MET B 118 -14.932 5.692 -12.665 1.00 0.00 N ATOM 888 CA MET B 118 -15.968 5.336 -13.614 1.00 0.00 C ATOM 889 C MET B 118 -16.641 6.595 -14.142 1.00 0.00 C ATOM 890 O MET B 118 -16.625 6.856 -15.343 1.00 0.00 O ATOM 891 CB MET B 118 -16.985 4.424 -12.936 1.00 0.00 C ATOM 892 CG MET B 118 -16.567 2.968 -13.122 1.00 0.00 C ATOM 893 SD MET B 118 -17.884 1.775 -12.776 1.00 0.00 S ATOM 894 CE MET B 118 -19.277 2.658 -13.520 1.00 0.00 C ATOM 0 H MET B 118 -15.119 5.396 -11.707 1.00 0.00 H new ATOM 0 HA MET B 118 -15.526 4.804 -14.457 1.00 0.00 H new ATOM 0 HB2 MET B 118 -17.051 4.662 -11.874 1.00 0.00 H new ATOM 0 HB3 MET B 118 -17.975 4.586 -13.361 1.00 0.00 H new ATOM 0 HG2 MET B 118 -16.223 2.827 -14.147 1.00 0.00 H new ATOM 0 HG3 MET B 118 -15.719 2.758 -12.470 1.00 0.00 H new ATOM 0 HE1 MET B 118 -20.139 1.994 -13.578 1.00 0.00 H new ATOM 0 HE2 MET B 118 -19.527 3.525 -12.908 1.00 0.00 H new ATOM 0 HE3 MET B 118 -19.005 2.988 -14.522 1.00 0.00 H new ATOM 1274 N THR C 203 -6.783 -11.967 -0.947 1.00 0.00 N ATOM 1275 CA THR C 203 -7.319 -10.694 -1.383 1.00 0.00 C ATOM 1276 C THR C 203 -8.612 -10.912 -2.157 1.00 0.00 C ATOM 1277 O THR C 203 -9.523 -10.089 -2.097 1.00 0.00 O ATOM 1278 CB THR C 203 -6.286 -9.977 -2.248 1.00 0.00 C ATOM 1279 OG1 THR C 203 -6.839 -8.780 -2.746 1.00 0.00 O ATOM 1280 CG2 THR C 203 -5.887 -10.877 -3.415 1.00 0.00 C ATOM 0 HA THR C 203 -7.541 -10.074 -0.514 1.00 0.00 H new ATOM 0 HB THR C 203 -5.406 -9.748 -1.648 1.00 0.00 H new ATOM 0 HG1 THR C 203 -7.133 -8.915 -3.671 1.00 0.00 H new ATOM 0 HG21 THR C 203 -5.149 -10.366 -4.033 1.00 0.00 H new ATOM 0 HG22 THR C 203 -5.459 -11.803 -3.031 1.00 0.00 H new ATOM 0 HG23 THR C 203 -6.767 -11.106 -4.015 1.00 0.00 H new ATOM 1288 N ASN C 204 -8.689 -12.028 -2.886 1.00 0.00 N ATOM 1289 CA ASN C 204 -9.866 -12.349 -3.666 1.00 0.00 C ATOM 1290 C ASN C 204 -11.121 -12.047 -2.860 1.00 0.00 C ATOM 1291 O ASN C 204 -12.020 -11.359 -3.338 1.00 0.00 O ATOM 1292 CB ASN C 204 -9.823 -13.821 -4.066 1.00 0.00 C ATOM 1293 CG ASN C 204 -11.226 -14.360 -4.309 1.00 0.00 C ATOM 1294 OD1 ASN C 204 -11.639 -15.327 -3.674 1.00 0.00 O ATOM 1295 ND2 ASN C 204 -11.958 -13.729 -5.230 1.00 0.00 N ATOM 0 H ASN C 204 -7.943 -12.721 -2.946 1.00 0.00 H new ATOM 0 HA ASN C 204 -9.884 -11.739 -4.569 1.00 0.00 H new ATOM 0 HB2 ASN C 204 -9.223 -13.939 -4.968 1.00 0.00 H new ATOM 0 HB3 ASN C 204 -9.337 -14.401 -3.281 1.00 0.00 H new ATOM 0 HD21 ASN C 204 -12.906 -14.046 -5.433 1.00 0.00 H new ATOM 0 HD22 ASN C 204 -11.569 -12.930 -5.731 1.00 0.00 H new ATOM 1302 N LEU C 205 -11.180 -12.565 -1.630 1.00 0.00 N ATOM 1303 CA LEU C 205 -12.321 -12.349 -0.763 1.00 0.00 C ATOM 1304 C LEU C 205 -12.763 -10.895 -0.843 1.00 0.00 C ATOM 1305 O LEU C 205 -13.945 -10.611 -1.021 1.00 0.00 O ATOM 1306 CB LEU C 205 -11.948 -12.723 0.669 1.00 0.00 C ATOM 1307 CG LEU C 205 -12.179 -14.216 0.881 1.00 0.00 C ATOM 1308 CD1 LEU C 205 -11.865 -14.579 2.330 1.00 0.00 C ATOM 1309 CD2 LEU C 205 -13.636 -14.553 0.576 1.00 0.00 C ATOM 0 H LEU C 205 -10.443 -13.138 -1.219 1.00 0.00 H new ATOM 0 HA LEU C 205 -13.151 -12.978 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU C 205 -10.904 -12.475 0.861 1.00 0.00 H new ATOM 0 HB3 LEU C 205 -12.547 -12.148 1.374 1.00 0.00 H new ATOM 0 HG LEU C 205 -11.528 -14.783 0.216 1.00 0.00 H new ATOM 0 HD11 LEU C 205 -12.030 -15.646 2.482 1.00 0.00 H new ATOM 0 HD12 LEU C 205 -10.825 -14.338 2.548 1.00 0.00 H new ATOM 0 HD13 LEU C 205 -12.516 -14.013 2.996 1.00 0.00 H new ATOM 0 HD21 LEU C 205 -13.802 -15.620 0.727 1.00 0.00 H new ATOM 0 HD22 LEU C 205 -14.287 -13.986 1.241 1.00 0.00 H new ATOM 0 HD23 LEU C 205 -13.860 -14.294 -0.459 1.00 0.00 H new ATOM 1321 N GLU C 206 -11.807 -9.972 -0.710 1.00 0.00 N ATOM 1322 CA GLU C 206 -12.104 -8.554 -0.769 1.00 0.00 C ATOM 1323 C GLU C 206 -12.627 -8.190 -2.152 1.00 0.00 C ATOM 1324 O GLU C 206 -13.445 -7.284 -2.291 1.00 0.00 O ATOM 1325 CB GLU C 206 -10.844 -7.758 -0.440 1.00 0.00 C ATOM 1326 CG GLU C 206 -10.480 -7.966 1.027 1.00 0.00 C ATOM 1327 CD GLU C 206 -10.393 -9.448 1.360 1.00 0.00 C ATOM 1328 OE1 GLU C 206 -9.400 -10.071 0.924 1.00 0.00 O ATOM 1329 OE2 GLU C 206 -11.320 -9.931 2.045 1.00 0.00 O ATOM 0 H GLU C 206 -10.822 -10.190 -0.561 1.00 0.00 H new ATOM 0 HA GLU C 206 -12.875 -8.310 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU C 206 -10.021 -8.079 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU C 206 -11.008 -6.699 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU C 206 -9.526 -7.485 1.241 1.00 0.00 H new ATOM 0 HG3 GLU C 206 -11.227 -7.490 1.662 1.00 0.00 H new ATOM 1337 N ILE C 207 -12.151 -8.902 -3.176 1.00 0.00 N ATOM 1338 CA ILE C 207 -12.570 -8.656 -4.541 1.00 0.00 C ATOM 1339 C ILE C 207 -14.049 -8.983 -4.692 1.00 0.00 C ATOM 1340 O ILE C 207 -14.738 -8.383 -5.514 1.00 0.00 O ATOM 1341 CB ILE C 207 -11.728 -9.501 -5.492 1.00 0.00 C ATOM 1342 CG1 ILE C 207 -10.253 -9.363 -5.126 1.00 0.00 C ATOM 1343 CG2 ILE C 207 -11.944 -9.023 -6.925 1.00 0.00 C ATOM 1344 CD1 ILE C 207 -9.393 -9.847 -6.290 1.00 0.00 C ATOM 0 H ILE C 207 -11.471 -9.656 -3.075 1.00 0.00 H new ATOM 0 HA ILE C 207 -12.424 -7.604 -4.787 1.00 0.00 H new ATOM 0 HB ILE C 207 -12.026 -10.546 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE C 207 -10.020 -8.323 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE C 207 -10.033 -9.945 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE C 207 -11.342 -9.627 -7.605 1.00 0.00 H new ATOM 0 HG22 ILE C 207 -12.997 -9.123 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE C 207 -11.647 -7.978 -7.009 1.00 0.00 H new ATOM 0 HD11 ILE C 207 -8.339 -9.749 -6.029 1.00 0.00 H new ATOM 0 HD12 ILE C 207 -9.619 -10.893 -6.499 1.00 0.00 H new ATOM 0 HD13 ILE C 207 -9.606 -9.246 -7.174 1.00 0.00 H new ATOM 1356 N ILE C 208 -14.536 -9.939 -3.897 1.00 0.00 N ATOM 1357 CA ILE C 208 -15.928 -10.340 -3.943 1.00 0.00 C ATOM 1358 C ILE C 208 -16.787 -9.303 -3.234 1.00 0.00 C ATOM 1359 O ILE C 208 -17.862 -8.951 -3.715 1.00 0.00 O ATOM 1360 CB ILE C 208 -16.083 -11.711 -3.291 1.00 0.00 C ATOM 1361 CG1 ILE C 208 -15.396 -12.766 -4.153 1.00 0.00 C ATOM 1362 CG2 ILE C 208 -17.566 -12.046 -3.161 1.00 0.00 C ATOM 1363 CD1 ILE C 208 -15.001 -13.955 -3.282 1.00 0.00 C ATOM 0 H ILE C 208 -13.976 -10.447 -3.213 1.00 0.00 H new ATOM 0 HA ILE C 208 -16.258 -10.407 -4.980 1.00 0.00 H new ATOM 0 HB ILE C 208 -15.625 -11.697 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE C 208 -16.064 -13.091 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE C 208 -14.513 -12.342 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE C 208 -17.678 -13.025 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE C 208 -18.057 -11.293 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE C 208 -18.024 -12.060 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE C 208 -14.510 -14.709 -3.897 1.00 0.00 H new ATOM 0 HD12 ILE C 208 -14.317 -13.623 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE C 208 -15.893 -14.384 -2.825 1.00 0.00 H new ATOM 1375 N ILE C 209 -16.310 -8.813 -2.087 1.00 0.00 N ATOM 1376 CA ILE C 209 -17.032 -7.820 -1.318 1.00 0.00 C ATOM 1377 C ILE C 209 -16.869 -6.451 -1.963 1.00 0.00 C ATOM 1378 O ILE C 209 -17.702 -5.568 -1.771 1.00 0.00 O ATOM 1379 CB ILE C 209 -16.511 -7.809 0.116 1.00 0.00 C ATOM 1380 CG1 ILE C 209 -16.824 -9.145 0.782 1.00 0.00 C ATOM 1381 CG2 ILE C 209 -17.186 -6.682 0.893 1.00 0.00 C ATOM 1382 CD1 ILE C 209 -15.996 -9.285 2.056 1.00 0.00 C ATOM 0 H ILE C 209 -15.420 -9.096 -1.676 1.00 0.00 H new ATOM 0 HA ILE C 209 -18.093 -8.068 -1.302 1.00 0.00 H new ATOM 0 HB ILE C 209 -15.433 -7.651 0.110 1.00 0.00 H new ATOM 0 HG12 ILE C 209 -17.886 -9.206 1.018 1.00 0.00 H new ATOM 0 HG13 ILE C 209 -16.601 -9.965 0.099 1.00 0.00 H new ATOM 0 HG21 ILE C 209 -16.815 -6.673 1.918 1.00 0.00 H new ATOM 0 HG22 ILE C 209 -16.962 -5.727 0.418 1.00 0.00 H new ATOM 0 HG23 ILE C 209 -18.265 -6.840 0.899 1.00 0.00 H new ATOM 0 HD11 ILE C 209 -16.220 -10.240 2.532 1.00 0.00 H new ATOM 0 HD12 ILE C 209 -14.936 -9.243 1.807 1.00 0.00 H new ATOM 0 HD13 ILE C 209 -16.241 -8.472 2.740 1.00 0.00 H new ATOM 1394 N LEU C 210 -15.791 -6.275 -2.731 1.00 0.00 N ATOM 1395 CA LEU C 210 -15.524 -5.017 -3.400 1.00 0.00 C ATOM 1396 C LEU C 210 -16.257 -4.976 -4.734 1.00 0.00 C ATOM 1397 O LEU C 210 -16.952 -4.008 -5.034 1.00 0.00 O ATOM 1398 CB LEU C 210 -14.020 -4.859 -3.604 1.00 0.00 C ATOM 1399 CG LEU C 210 -13.371 -4.433 -2.290 1.00 0.00 C ATOM 1400 CD1 LEU C 210 -11.915 -4.054 -2.542 1.00 0.00 C ATOM 1401 CD2 LEU C 210 -14.119 -3.230 -1.720 1.00 0.00 C ATOM 0 H LEU C 210 -15.091 -6.997 -2.900 1.00 0.00 H new ATOM 0 HA LEU C 210 -15.883 -4.191 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU C 210 -13.588 -5.799 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU C 210 -13.823 -4.116 -4.377 1.00 0.00 H new ATOM 0 HG LEU C 210 -13.414 -5.258 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU C 210 -11.451 -3.750 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU C 210 -11.381 -4.912 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU C 210 -11.872 -3.229 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU C 210 -13.656 -2.925 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU C 210 -14.076 -2.405 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU C 210 -15.160 -3.500 -1.540 1.00 0.00 H new ATOM 1413 N GLU C 211 -16.098 -6.031 -5.536 1.00 0.00 N ATOM 1414 CA GLU C 211 -16.745 -6.109 -6.830 1.00 0.00 C ATOM 1415 C GLU C 211 -18.255 -6.012 -6.663 1.00 0.00 C ATOM 1416 O GLU C 211 -18.931 -5.354 -7.451 1.00 0.00 O ATOM 1417 CB GLU C 211 -16.360 -7.418 -7.512 1.00 0.00 C ATOM 1418 CG GLU C 211 -14.900 -7.352 -7.952 1.00 0.00 C ATOM 1419 CD GLU C 211 -14.743 -6.469 -9.182 1.00 0.00 C ATOM 1420 OE1 GLU C 211 -15.621 -6.567 -10.067 1.00 0.00 O ATOM 1421 OE2 GLU C 211 -13.749 -5.713 -9.215 1.00 0.00 O ATOM 0 H GLU C 211 -15.523 -6.841 -5.303 1.00 0.00 H new ATOM 0 HA GLU C 211 -16.416 -5.278 -7.454 1.00 0.00 H new ATOM 0 HB2 GLU C 211 -16.507 -8.254 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU C 211 -17.003 -7.594 -8.374 1.00 0.00 H new ATOM 0 HG2 GLU C 211 -14.288 -6.962 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU C 211 -14.536 -8.356 -8.171 1.00 0.00 H new ATOM 1429 N GLY C 212 -18.785 -6.671 -5.629 1.00 0.00 N ATOM 1430 CA GLY C 212 -20.209 -6.655 -5.366 1.00 0.00 C ATOM 1431 C GLY C 212 -20.628 -5.300 -4.811 1.00 0.00 C ATOM 1432 O GLY C 212 -21.487 -4.630 -5.380 1.00 0.00 O ATOM 0 H GLY C 212 -18.240 -7.221 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY C 212 -20.758 -6.865 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY C 212 -20.463 -7.441 -4.655 1.00 0.00 H new ATOM 1436 N THR C 213 -20.016 -4.898 -3.695 1.00 0.00 N ATOM 1437 CA THR C 213 -20.327 -3.627 -3.072 1.00 0.00 C ATOM 1438 C THR C 213 -20.092 -2.494 -4.060 1.00 0.00 C ATOM 1439 O THR C 213 -20.695 -1.429 -3.943 1.00 0.00 O ATOM 1440 CB THR C 213 -19.462 -3.447 -1.828 1.00 0.00 C ATOM 1441 OG1 THR C 213 -19.823 -4.409 -0.862 1.00 0.00 O ATOM 1442 CG2 THR C 213 -19.678 -2.048 -1.257 1.00 0.00 C ATOM 0 H THR C 213 -19.302 -5.441 -3.210 1.00 0.00 H new ATOM 0 HA THR C 213 -21.376 -3.611 -2.776 1.00 0.00 H new ATOM 0 HB THR C 213 -18.412 -3.574 -2.093 1.00 0.00 H new ATOM 0 HG1 THR C 213 -19.176 -5.145 -0.875 1.00 0.00 H new ATOM 0 HG21 THR C 213 -19.060 -1.918 -0.368 1.00 0.00 H new ATOM 0 HG22 THR C 213 -19.401 -1.304 -2.003 1.00 0.00 H new ATOM 0 HG23 THR C 213 -20.727 -1.922 -0.991 1.00 0.00 H new ATOM 1450 N ALA C 214 -19.212 -2.726 -5.036 1.00 0.00 N ATOM 1451 CA ALA C 214 -18.900 -1.727 -6.039 1.00 0.00 C ATOM 1452 C ALA C 214 -20.105 -1.512 -6.944 1.00 0.00 C ATOM 1453 O ALA C 214 -20.665 -0.419 -6.986 1.00 0.00 O ATOM 1454 CB ALA C 214 -17.690 -2.182 -6.849 1.00 0.00 C ATOM 0 H ALA C 214 -18.705 -3.604 -5.146 1.00 0.00 H new ATOM 0 HA ALA C 214 -18.661 -0.781 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA C 214 -17.454 -1.432 -7.604 1.00 0.00 H new ATOM 0 HB2 ALA C 214 -16.835 -2.310 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA C 214 -17.915 -3.130 -7.338 1.00 0.00 H new ATOM 1460 N VAL C 215 -20.503 -2.559 -7.670 1.00 0.00 N ATOM 1461 CA VAL C 215 -21.636 -2.480 -8.569 1.00 0.00 C ATOM 1462 C VAL C 215 -22.922 -2.338 -7.766 1.00 0.00 C ATOM 1463 O VAL C 215 -23.933 -1.875 -8.288 1.00 0.00 O ATOM 1464 CB VAL C 215 -21.680 -3.731 -9.442 1.00 0.00 C ATOM 1465 CG1 VAL C 215 -22.511 -3.451 -10.691 1.00 0.00 C ATOM 1466 CG2 VAL C 215 -20.261 -4.114 -9.852 1.00 0.00 C ATOM 0 H VAL C 215 -20.049 -3.472 -7.646 1.00 0.00 H new ATOM 0 HA VAL C 215 -21.534 -1.607 -9.213 1.00 0.00 H new ATOM 0 HB VAL C 215 -22.131 -4.550 -8.881 1.00 0.00 H new ATOM 0 HG11 VAL C 215 -22.543 -4.344 -11.315 1.00 0.00 H new ATOM 0 HG12 VAL C 215 -23.525 -3.176 -10.399 1.00 0.00 H new ATOM 0 HG13 VAL C 215 -22.060 -2.632 -11.252 1.00 0.00 H new ATOM 0 HG21 VAL C 215 -20.291 -5.007 -10.476 1.00 0.00 H new ATOM 0 HG22 VAL C 215 -19.811 -3.295 -10.413 1.00 0.00 H new ATOM 0 HG23 VAL C 215 -19.666 -4.314 -8.961 1.00 0.00 H new ATOM 1476 N ILE C 216 -22.880 -2.737 -6.493 1.00 0.00 N ATOM 1477 CA ILE C 216 -24.036 -2.651 -5.624 1.00 0.00 C ATOM 1478 C ILE C 216 -24.231 -1.212 -5.167 1.00 0.00 C ATOM 1479 O ILE C 216 -25.232 -0.583 -5.503 1.00 0.00 O ATOM 1480 CB ILE C 216 -23.843 -3.578 -4.428 1.00 0.00 C ATOM 1481 CG1 ILE C 216 -24.076 -5.023 -4.860 1.00 0.00 C ATOM 1482 CG2 ILE C 216 -24.839 -3.208 -3.332 1.00 0.00 C ATOM 1483 CD1 ILE C 216 -23.315 -5.962 -3.927 1.00 0.00 C ATOM 0 H ILE C 216 -22.048 -3.124 -6.047 1.00 0.00 H new ATOM 0 HA ILE C 216 -24.928 -2.963 -6.167 1.00 0.00 H new ATOM 0 HB ILE C 216 -22.827 -3.472 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE C 216 -25.141 -5.254 -4.836 1.00 0.00 H new ATOM 0 HG13 ILE C 216 -23.742 -5.165 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE C 216 -24.702 -3.870 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE C 216 -24.673 -2.176 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE C 216 -25.855 -3.313 -3.713 1.00 0.00 H new ATOM 0 HD11 ILE C 216 -23.481 -6.994 -4.235 1.00 0.00 H new ATOM 0 HD12 ILE C 216 -22.250 -5.736 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE C 216 -23.670 -5.827 -2.905 1.00 0.00 H new ATOM 1495 N ALA C 217 -23.271 -0.692 -4.400 1.00 0.00 N ATOM 1496 CA ALA C 217 -23.342 0.667 -3.901 1.00 0.00 C ATOM 1497 C ALA C 217 -23.626 1.623 -5.051 1.00 0.00 C ATOM 1498 O ALA C 217 -24.286 2.643 -4.865 1.00 0.00 O ATOM 1499 CB ALA C 217 -22.029 1.024 -3.212 1.00 0.00 C ATOM 0 H ALA C 217 -22.434 -1.201 -4.114 1.00 0.00 H new ATOM 0 HA ALA C 217 -24.151 0.751 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA C 217 -22.081 2.046 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA C 217 -21.857 0.340 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA C 217 -21.209 0.941 -3.926 1.00 0.00 H new ATOM 1505 N MET C 218 -23.124 1.291 -6.243 1.00 0.00 N ATOM 1506 CA MET C 218 -23.325 2.123 -7.412 1.00 0.00 C ATOM 1507 C MET C 218 -24.800 2.141 -7.788 1.00 0.00 C ATOM 1508 O MET C 218 -25.426 3.198 -7.810 1.00 0.00 O ATOM 1509 CB MET C 218 -22.481 1.588 -8.566 1.00 0.00 C ATOM 1510 CG MET C 218 -21.110 2.259 -8.546 1.00 0.00 C ATOM 1511 SD MET C 218 -20.183 2.080 -10.090 1.00 0.00 S ATOM 1512 CE MET C 218 -21.537 2.305 -11.269 1.00 0.00 C ATOM 0 H MET C 218 -22.576 0.448 -6.415 1.00 0.00 H new ATOM 0 HA MET C 218 -23.015 3.145 -7.193 1.00 0.00 H new ATOM 0 HB2 MET C 218 -22.370 0.507 -8.479 1.00 0.00 H new ATOM 0 HB3 MET C 218 -22.979 1.782 -9.516 1.00 0.00 H new ATOM 0 HG2 MET C 218 -21.239 3.320 -8.332 1.00 0.00 H new ATOM 0 HG3 MET C 218 -20.522 1.838 -7.730 1.00 0.00 H new ATOM 0 HE1 MET C 218 -21.129 2.545 -12.251 1.00 0.00 H new ATOM 0 HE2 MET C 218 -22.120 1.386 -11.333 1.00 0.00 H new ATOM 0 HE3 MET C 218 -22.179 3.119 -10.934 1.00 0.00 H new