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 165:sc= -9! (180deg=-2.44!) USER MOD Set 1.2: B 118 MET CE :methyl 174:sc= -9.54! (180deg=-2.32!) USER MOD Set 1.3: C 218 MET CE :methyl 161:sc= -8.84! (180deg=-2.28!) USER MOD Single : A 3 THR OG1 : rot 36:sc= 0.107 USER MOD Single : A 4 ASN : amide:sc= -4.36! C(o=-4.4!,f=-0.58!) USER MOD Single : A 13 THR OG1 : rot 101:sc= 1.18 USER MOD Single : B 103 THR OG1 : rot 22:sc= 0.095 USER MOD Single : B 104 ASN : amide:sc= -4.5! C(o=-4.5!,f=-0.54!) USER MOD Single : B 113 THR OG1 : rot 111:sc= 1.16 USER MOD Single : C 203 THR OG1 : rot 26:sc= 0.0923 USER MOD Single : C 204 ASN : amide:sc= -4.51! C(o=-4.5!,f=-0.77!) USER MOD Single : C 213 THR OG1 : rot 114:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 3 -1.248 -2.465 -1.237 1.00 0.00 N ATOM 39 CA THR A 3 -2.635 -2.715 -1.575 1.00 0.00 C ATOM 40 C THR A 3 -2.987 -2.011 -2.878 1.00 0.00 C ATOM 41 O THR A 3 -3.828 -2.486 -3.638 1.00 0.00 O ATOM 42 CB THR A 3 -3.530 -2.228 -0.440 1.00 0.00 C ATOM 43 OG1 THR A 3 -3.209 -2.924 0.744 1.00 0.00 O ATOM 44 CG2 THR A 3 -4.992 -2.482 -0.798 1.00 0.00 C ATOM 0 HA THR A 3 -2.791 -3.785 -1.711 1.00 0.00 H new ATOM 0 HB THR A 3 -3.374 -1.160 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.243 -3.085 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.631 -2.134 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.241 -1.944 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.149 -3.550 -0.951 1.00 0.00 H new ATOM 52 N ASN A 4 -2.337 -0.874 -3.135 1.00 0.00 N ATOM 53 CA ASN A 4 -2.582 -0.111 -4.343 1.00 0.00 C ATOM 54 C ASN A 4 -2.690 -1.050 -5.536 1.00 0.00 C ATOM 55 O ASN A 4 -3.644 -0.974 -6.307 1.00 0.00 O ATOM 56 CB ASN A 4 -1.452 0.894 -4.546 1.00 0.00 C ATOM 57 CG ASN A 4 -0.235 0.225 -5.170 1.00 0.00 C ATOM 58 OD1 ASN A 4 0.180 0.588 -6.268 1.00 0.00 O ATOM 59 ND2 ASN A 4 0.337 -0.754 -4.465 1.00 0.00 N ATOM 0 H ASN A 4 -1.636 -0.467 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.522 0.432 -4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.794 1.707 -5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.178 1.337 -3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.156 -1.237 -4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.045 -1.019 -3.557 1.00 0.00 H new ATOM 66 N LEU A 5 -1.705 -1.938 -5.687 1.00 0.00 N ATOM 67 CA LEU A 5 -1.691 -2.887 -6.783 1.00 0.00 C ATOM 68 C LEU A 5 -3.081 -3.479 -6.970 1.00 0.00 C ATOM 69 O LEU A 5 -3.591 -3.533 -8.087 1.00 0.00 O ATOM 70 CB LEU A 5 -0.671 -3.984 -6.492 1.00 0.00 C ATOM 71 CG LEU A 5 0.708 -3.534 -6.965 1.00 0.00 C ATOM 72 CD1 LEU A 5 1.764 -4.515 -6.462 1.00 0.00 C ATOM 73 CD2 LEU A 5 0.735 -3.494 -8.490 1.00 0.00 C ATOM 0 H LEU A 5 -0.907 -2.013 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.406 -2.380 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.648 -4.200 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.958 -4.906 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 5 0.920 -2.540 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.749 -4.194 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.745 -4.543 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.553 -5.510 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.720 -3.173 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.523 -4.488 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.018 -2.793 -8.849 1.00 0.00 H new ATOM 85 N GLU A 6 -3.694 -3.926 -5.871 1.00 0.00 N ATOM 86 CA GLU A 6 -5.019 -4.509 -5.921 1.00 0.00 C ATOM 87 C GLU A 6 -6.032 -3.460 -6.360 1.00 0.00 C ATOM 88 O GLU A 6 -7.026 -3.784 -7.007 1.00 0.00 O ATOM 89 CB GLU A 6 -5.380 -5.068 -4.548 1.00 0.00 C ATOM 90 CG GLU A 6 -4.527 -6.300 -4.260 1.00 0.00 C ATOM 91 CD GLU A 6 -3.062 -6.032 -4.576 1.00 0.00 C ATOM 92 OE1 GLU A 6 -2.561 -6.670 -5.527 1.00 0.00 O ATOM 93 OE2 GLU A 6 -2.472 -5.196 -3.859 1.00 0.00 O ATOM 0 H GLU A 6 -3.285 -3.891 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.034 -5.323 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.216 -4.311 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.438 -5.329 -4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.631 -6.583 -3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.883 -7.141 -4.854 1.00 0.00 H new ATOM 101 N ILE A 7 -5.777 -2.199 -6.004 1.00 0.00 N ATOM 102 CA ILE A 7 -6.661 -1.108 -6.362 1.00 0.00 C ATOM 103 C ILE A 7 -6.674 -0.930 -7.873 1.00 0.00 C ATOM 104 O ILE A 7 -7.679 -0.508 -8.441 1.00 0.00 O ATOM 105 CB ILE A 7 -6.196 0.170 -5.670 1.00 0.00 C ATOM 106 CG1 ILE A 7 -5.947 -0.113 -4.191 1.00 0.00 C ATOM 107 CG2 ILE A 7 -7.273 1.243 -5.808 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.860 1.206 -3.428 1.00 0.00 C ATOM 0 H ILE A 7 -4.959 -1.916 -5.465 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.676 -1.334 -6.034 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.273 0.519 -6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.752 -0.727 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.023 -0.678 -4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.942 2.156 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.451 1.446 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.196 0.894 -5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.682 1.004 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.040 1.803 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.796 1.754 -3.540 1.00 0.00 H new ATOM 120 N ILE A 8 -5.554 -1.253 -8.525 1.00 0.00 N ATOM 121 CA ILE A 8 -5.442 -1.130 -9.964 1.00 0.00 C ATOM 122 C ILE A 8 -6.179 -2.278 -10.638 1.00 0.00 C ATOM 123 O ILE A 8 -6.874 -2.074 -11.631 1.00 0.00 O ATOM 124 CB ILE A 8 -3.968 -1.125 -10.360 1.00 0.00 C ATOM 125 CG1 ILE A 8 -3.310 0.158 -9.861 1.00 0.00 C ATOM 126 CG2 ILE A 8 -3.850 -1.199 -11.880 1.00 0.00 C ATOM 127 CD1 ILE A 8 -1.799 -0.039 -9.790 1.00 0.00 C ATOM 0 H ILE A 8 -4.712 -1.603 -8.067 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.895 -0.194 -10.290 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.469 -1.985 -9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.548 0.985 -10.529 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.700 0.420 -8.877 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.798 -1.195 -12.164 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.319 -2.116 -12.237 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.349 -0.339 -12.326 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.329 0.878 -9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.570 -0.855 -9.104 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.417 -0.281 -10.782 1.00 0.00 H new ATOM 139 N ILE A 9 -6.026 -3.489 -10.096 1.00 0.00 N ATOM 140 CA ILE A 9 -6.677 -4.662 -10.644 1.00 0.00 C ATOM 141 C ILE A 9 -8.149 -4.663 -10.256 1.00 0.00 C ATOM 142 O ILE A 9 -8.975 -5.257 -10.945 1.00 0.00 O ATOM 143 CB ILE A 9 -5.980 -5.917 -10.129 1.00 0.00 C ATOM 144 CG1 ILE A 9 -4.538 -5.941 -10.628 1.00 0.00 C ATOM 145 CG2 ILE A 9 -6.715 -7.153 -10.640 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.678 -6.748 -9.661 1.00 0.00 C ATOM 0 H ILE A 9 -5.452 -3.674 -9.274 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.609 -4.646 -11.732 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.987 -5.914 -9.039 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.494 -6.381 -11.624 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.154 -4.924 -10.711 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.217 -8.050 -10.272 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.745 -7.137 -10.283 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.709 -7.155 -11.730 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.648 -6.765 -10.017 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.713 -6.289 -8.673 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.058 -7.768 -9.600 1.00 0.00 H new ATOM 158 N LEU A 10 -8.477 -3.994 -9.147 1.00 0.00 N ATOM 159 CA LEU A 10 -9.844 -3.921 -8.674 1.00 0.00 C ATOM 160 C LEU A 10 -10.576 -2.790 -9.382 1.00 0.00 C ATOM 161 O LEU A 10 -11.699 -2.969 -9.849 1.00 0.00 O ATOM 162 CB LEU A 10 -9.848 -3.705 -7.163 1.00 0.00 C ATOM 163 CG LEU A 10 -9.548 -5.025 -6.460 1.00 0.00 C ATOM 164 CD1 LEU A 10 -9.792 -4.871 -4.962 1.00 0.00 C ATOM 165 CD2 LEU A 10 -10.459 -6.116 -7.015 1.00 0.00 C ATOM 0 H LEU A 10 -7.804 -3.496 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.359 -4.855 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.103 -2.958 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.817 -3.322 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.507 -5.299 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.578 -5.814 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.140 -4.092 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.833 -4.596 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.245 -7.059 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.500 -5.842 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.284 -6.227 -8.085 1.00 0.00 H new ATOM 177 N GLU A 11 -9.937 -1.621 -9.461 1.00 0.00 N ATOM 178 CA GLU A 11 -10.530 -0.470 -10.112 1.00 0.00 C ATOM 179 C GLU A 11 -10.852 -0.802 -11.562 1.00 0.00 C ATOM 180 O GLU A 11 -11.934 -0.485 -12.051 1.00 0.00 O ATOM 181 CB GLU A 11 -9.568 0.712 -10.029 1.00 0.00 C ATOM 182 CG GLU A 11 -9.614 1.308 -8.625 1.00 0.00 C ATOM 183 CD GLU A 11 -10.892 2.106 -8.415 1.00 0.00 C ATOM 184 OE1 GLU A 11 -11.409 2.062 -7.278 1.00 0.00 O ATOM 185 OE2 GLU A 11 -11.329 2.746 -9.396 1.00 0.00 O ATOM 0 H GLU A 11 -9.006 -1.455 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.459 -0.203 -9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.555 0.387 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.840 1.468 -10.766 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.553 0.510 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.749 1.953 -8.471 1.00 0.00 H new ATOM 193 N GLY A 12 -9.907 -1.445 -12.251 1.00 0.00 N ATOM 194 CA GLY A 12 -10.096 -1.817 -13.639 1.00 0.00 C ATOM 195 C GLY A 12 -11.119 -2.939 -13.750 1.00 0.00 C ATOM 196 O GLY A 12 -12.134 -2.795 -14.427 1.00 0.00 O ATOM 0 H GLY A 12 -9.004 -1.716 -11.862 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.431 -0.952 -14.212 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.147 -2.137 -14.069 1.00 0.00 H new ATOM 200 N THR A 13 -10.847 -4.062 -13.080 1.00 0.00 N ATOM 201 CA THR A 13 -11.743 -5.200 -13.107 1.00 0.00 C ATOM 202 C THR A 13 -13.134 -4.776 -12.657 1.00 0.00 C ATOM 203 O THR A 13 -14.129 -5.382 -13.048 1.00 0.00 O ATOM 204 CB THR A 13 -11.194 -6.299 -12.202 1.00 0.00 C ATOM 205 OG1 THR A 13 -9.991 -6.796 -12.743 1.00 0.00 O ATOM 206 CG2 THR A 13 -12.212 -7.432 -12.103 1.00 0.00 C ATOM 0 H THR A 13 -10.010 -4.199 -12.514 1.00 0.00 H new ATOM 0 HA THR A 13 -11.815 -5.585 -14.124 1.00 0.00 H new ATOM 0 HB THR A 13 -11.005 -5.891 -11.209 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.231 -6.399 -12.269 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.820 -8.217 -11.457 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.143 -7.049 -11.685 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.400 -7.840 -13.096 1.00 0.00 H new ATOM 214 N ALA A 14 -13.200 -3.729 -11.832 1.00 0.00 N ATOM 215 CA ALA A 14 -14.464 -3.228 -11.332 1.00 0.00 C ATOM 216 C ALA A 14 -15.279 -2.648 -12.479 1.00 0.00 C ATOM 217 O ALA A 14 -16.358 -3.146 -12.791 1.00 0.00 O ATOM 218 CB ALA A 14 -14.205 -2.170 -10.263 1.00 0.00 C ATOM 0 H ALA A 14 -12.384 -3.215 -11.500 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.032 -4.044 -10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.156 -1.793 -9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.640 -2.612 -9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.634 -1.348 -10.695 1.00 0.00 H new ATOM 224 N VAL A 15 -14.759 -1.591 -13.107 1.00 0.00 N ATOM 225 CA VAL A 15 -15.438 -0.948 -14.214 1.00 0.00 C ATOM 226 C VAL A 15 -15.473 -1.887 -15.411 1.00 0.00 C ATOM 227 O VAL A 15 -16.315 -1.738 -16.295 1.00 0.00 O ATOM 228 CB VAL A 15 -14.720 0.351 -14.566 1.00 0.00 C ATOM 229 CG1 VAL A 15 -15.651 1.243 -15.382 1.00 0.00 C ATOM 230 CG2 VAL A 15 -14.319 1.074 -13.283 1.00 0.00 C ATOM 0 H VAL A 15 -13.865 -1.167 -12.860 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.464 -0.714 -13.930 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.828 0.126 -15.151 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.138 2.171 -15.633 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.938 0.727 -16.298 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.543 1.469 -14.798 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.806 2.002 -13.534 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.211 1.299 -12.698 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.653 0.438 -12.700 1.00 0.00 H new ATOM 240 N ILE A 16 -14.555 -2.856 -15.439 1.00 0.00 N ATOM 241 CA ILE A 16 -14.485 -3.815 -16.524 1.00 0.00 C ATOM 242 C ILE A 16 -15.640 -4.800 -16.415 1.00 0.00 C ATOM 243 O ILE A 16 -16.505 -4.844 -17.288 1.00 0.00 O ATOM 244 CB ILE A 16 -13.145 -4.543 -16.472 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.047 -3.626 -17.004 1.00 0.00 C ATOM 246 CG2 ILE A 16 -13.217 -5.802 -17.332 1.00 0.00 C ATOM 247 CD1 ILE A 16 -10.688 -4.128 -16.523 1.00 0.00 C ATOM 0 H ILE A 16 -13.850 -2.991 -14.714 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.564 -3.297 -17.480 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.921 -4.819 -15.442 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.074 -3.603 -18.093 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.212 -2.605 -16.660 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.260 -6.323 -17.296 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.001 -6.457 -16.953 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.441 -5.526 -18.363 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.903 -3.474 -16.903 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.665 -4.128 -15.433 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.524 -5.141 -16.889 1.00 0.00 H new ATOM 259 N ALA A 17 -15.653 -5.593 -15.341 1.00 0.00 N ATOM 260 CA ALA A 17 -16.699 -6.572 -15.126 1.00 0.00 C ATOM 261 C ALA A 17 -18.062 -5.911 -15.272 1.00 0.00 C ATOM 262 O ALA A 17 -19.006 -6.530 -15.758 1.00 0.00 O ATOM 263 CB ALA A 17 -16.542 -7.185 -13.737 1.00 0.00 C ATOM 0 H ALA A 17 -14.943 -5.569 -14.609 1.00 0.00 H new ATOM 0 HA ALA A 17 -16.620 -7.364 -15.870 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -17.328 -7.922 -13.574 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.569 -7.670 -13.661 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.617 -6.401 -12.983 1.00 0.00 H new ATOM 269 N MET A 18 -18.163 -4.648 -14.851 1.00 0.00 N ATOM 270 CA MET A 18 -19.409 -3.913 -14.936 1.00 0.00 C ATOM 271 C MET A 18 -19.852 -3.810 -16.388 1.00 0.00 C ATOM 272 O MET A 18 -20.928 -4.282 -16.749 1.00 0.00 O ATOM 273 CB MET A 18 -19.223 -2.526 -14.329 1.00 0.00 C ATOM 274 CG MET A 18 -19.561 -2.572 -12.841 1.00 0.00 C ATOM 275 SD MET A 18 -19.921 -0.952 -12.119 1.00 0.00 S ATOM 276 CE MET A 18 -20.924 -0.256 -13.455 1.00 0.00 C ATOM 0 H MET A 18 -17.389 -4.119 -14.448 1.00 0.00 H new ATOM 0 HA MET A 18 -20.183 -4.440 -14.378 1.00 0.00 H new ATOM 0 HB2 MET A 18 -18.195 -2.191 -14.469 1.00 0.00 H new ATOM 0 HB3 MET A 18 -19.865 -1.806 -14.837 1.00 0.00 H new ATOM 0 HG2 MET A 18 -20.422 -3.224 -12.694 1.00 0.00 H new ATOM 0 HG3 MET A 18 -18.726 -3.021 -12.303 1.00 0.00 H new ATOM 0 HE1 MET A 18 -21.456 0.623 -13.091 1.00 0.00 H new ATOM 0 HE2 MET A 18 -20.277 0.029 -14.285 1.00 0.00 H new ATOM 0 HE3 MET A 18 -21.644 -1.000 -13.795 1.00 0.00 H new ATOM 656 N THR B 103 -8.818 -5.100 5.700 1.00 0.00 N ATOM 657 CA THR B 103 -9.020 -4.931 4.275 1.00 0.00 C ATOM 658 C THR B 103 -10.183 -3.982 4.024 1.00 0.00 C ATOM 659 O THR B 103 -10.197 -3.260 3.030 1.00 0.00 O ATOM 660 CB THR B 103 -9.284 -6.290 3.634 1.00 0.00 C ATOM 661 OG1 THR B 103 -8.174 -7.134 3.847 1.00 0.00 O ATOM 662 CG2 THR B 103 -9.508 -6.112 2.135 1.00 0.00 C ATOM 0 HA THR B 103 -8.124 -4.500 3.828 1.00 0.00 H new ATOM 0 HB THR B 103 -10.171 -6.736 4.083 1.00 0.00 H new ATOM 0 HG1 THR B 103 -7.664 -6.815 4.621 1.00 0.00 H new ATOM 0 HG21 THR B 103 -9.697 -7.083 1.677 1.00 0.00 H new ATOM 0 HG22 THR B 103 -10.366 -5.460 1.970 1.00 0.00 H new ATOM 0 HG23 THR B 103 -8.621 -5.665 1.685 1.00 0.00 H new ATOM 670 N ASN B 104 -11.161 -3.984 4.933 1.00 0.00 N ATOM 671 CA ASN B 104 -12.321 -3.125 4.808 1.00 0.00 C ATOM 672 C ASN B 104 -11.891 -1.735 4.361 1.00 0.00 C ATOM 673 O ASN B 104 -12.436 -1.191 3.403 1.00 0.00 O ATOM 674 CB ASN B 104 -13.051 -3.061 6.146 1.00 0.00 C ATOM 675 CG ASN B 104 -12.373 -2.076 7.088 1.00 0.00 C ATOM 676 OD1 ASN B 104 -12.981 -1.092 7.502 1.00 0.00 O ATOM 677 ND2 ASN B 104 -11.110 -2.345 7.428 1.00 0.00 N ATOM 0 H ASN B 104 -11.164 -4.576 5.763 1.00 0.00 H new ATOM 0 HA ASN B 104 -12.999 -3.531 4.057 1.00 0.00 H new ATOM 0 HB2 ASN B 104 -14.087 -2.763 5.986 1.00 0.00 H new ATOM 0 HB3 ASN B 104 -13.071 -4.051 6.602 1.00 0.00 H new ATOM 0 HD21 ASN B 104 -10.607 -1.720 8.058 1.00 0.00 H new ATOM 0 HD22 ASN B 104 -10.648 -3.175 7.058 1.00 0.00 H new ATOM 684 N LEU B 105 -10.909 -1.161 5.059 1.00 0.00 N ATOM 685 CA LEU B 105 -10.409 0.160 4.733 1.00 0.00 C ATOM 686 C LEU B 105 -10.241 0.291 3.226 1.00 0.00 C ATOM 687 O LEU B 105 -10.682 1.272 2.632 1.00 0.00 O ATOM 688 CB LEU B 105 -9.081 0.391 5.448 1.00 0.00 C ATOM 689 CG LEU B 105 -9.346 0.921 6.854 1.00 0.00 C ATOM 690 CD1 LEU B 105 -8.045 0.924 7.651 1.00 0.00 C ATOM 691 CD2 LEU B 105 -9.895 2.342 6.768 1.00 0.00 C ATOM 0 H LEU B 105 -10.448 -1.599 5.856 1.00 0.00 H new ATOM 0 HA LEU B 105 -11.121 0.915 5.065 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -8.517 -0.540 5.499 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -8.473 1.102 4.888 1.00 0.00 H new ATOM 0 HG LEU B 105 -10.074 0.281 7.352 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -8.234 1.303 8.655 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -7.654 -0.092 7.714 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -7.315 1.563 7.154 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -10.084 2.720 7.773 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -9.168 2.983 6.270 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -10.825 2.339 6.200 1.00 0.00 H new ATOM 703 N GLU B 106 -9.599 -0.703 2.608 1.00 0.00 N ATOM 704 CA GLU B 106 -9.378 -0.693 1.176 1.00 0.00 C ATOM 705 C GLU B 106 -10.710 -0.764 0.443 1.00 0.00 C ATOM 706 O GLU B 106 -10.852 -0.219 -0.649 1.00 0.00 O ATOM 707 CB GLU B 106 -8.486 -1.871 0.792 1.00 0.00 C ATOM 708 CG GLU B 106 -7.072 -1.628 1.310 1.00 0.00 C ATOM 709 CD GLU B 106 -7.095 -1.178 2.763 1.00 0.00 C ATOM 710 OE1 GLU B 106 -6.718 -0.010 3.001 1.00 0.00 O ATOM 711 OE2 GLU B 106 -7.489 -2.009 3.609 1.00 0.00 O ATOM 0 H GLU B 106 -9.226 -1.523 3.086 1.00 0.00 H new ATOM 0 HA GLU B 106 -8.880 0.233 0.890 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -8.885 -2.795 1.211 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -8.472 -1.993 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -6.485 -2.542 1.218 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -6.582 -0.871 0.698 1.00 0.00 H new ATOM 719 N ILE B 107 -11.689 -1.439 1.051 1.00 0.00 N ATOM 720 CA ILE B 107 -13.005 -1.578 0.460 1.00 0.00 C ATOM 721 C ILE B 107 -13.677 -0.215 0.373 1.00 0.00 C ATOM 722 O ILE B 107 -14.479 0.028 -0.527 1.00 0.00 O ATOM 723 CB ILE B 107 -13.840 -2.541 1.299 1.00 0.00 C ATOM 724 CG1 ILE B 107 -13.030 -3.803 1.583 1.00 0.00 C ATOM 725 CG2 ILE B 107 -15.108 -2.912 0.536 1.00 0.00 C ATOM 726 CD1 ILE B 107 -13.962 -4.906 2.075 1.00 0.00 C ATOM 0 H ILE B 107 -11.585 -1.897 1.957 1.00 0.00 H new ATOM 0 HA ILE B 107 -12.915 -1.982 -0.549 1.00 0.00 H new ATOM 0 HB ILE B 107 -14.109 -2.062 2.241 1.00 0.00 H new ATOM 0 HG12 ILE B 107 -12.512 -4.126 0.680 1.00 0.00 H new ATOM 0 HG13 ILE B 107 -12.266 -3.597 2.333 1.00 0.00 H new ATOM 0 HG21 ILE B 107 -15.705 -3.600 1.135 1.00 0.00 H new ATOM 0 HG22 ILE B 107 -15.687 -2.011 0.333 1.00 0.00 H new ATOM 0 HG23 ILE B 107 -14.839 -3.390 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE B 107 -13.384 -5.807 2.278 1.00 0.00 H new ATOM 0 HD12 ILE B 107 -14.460 -4.581 2.989 1.00 0.00 H new ATOM 0 HD13 ILE B 107 -14.709 -5.119 1.311 1.00 0.00 H new ATOM 738 N ILE B 108 -13.349 0.676 1.312 1.00 0.00 N ATOM 739 CA ILE B 108 -13.919 2.008 1.337 1.00 0.00 C ATOM 740 C ILE B 108 -13.258 2.871 0.272 1.00 0.00 C ATOM 741 O ILE B 108 -13.932 3.630 -0.420 1.00 0.00 O ATOM 742 CB ILE B 108 -13.727 2.617 2.724 1.00 0.00 C ATOM 743 CG1 ILE B 108 -14.588 1.864 3.734 1.00 0.00 C ATOM 744 CG2 ILE B 108 -14.141 4.085 2.696 1.00 0.00 C ATOM 745 CD1 ILE B 108 -14.048 2.103 5.141 1.00 0.00 C ATOM 0 H ILE B 108 -12.687 0.489 2.065 1.00 0.00 H new ATOM 0 HA ILE B 108 -14.986 1.956 1.123 1.00 0.00 H new ATOM 0 HB ILE B 108 -12.679 2.541 3.013 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -15.623 2.200 3.668 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -14.584 0.798 3.508 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -14.004 4.521 3.686 1.00 0.00 H new ATOM 0 HG22 ILE B 108 -13.526 4.623 1.975 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -15.189 4.162 2.407 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -14.663 1.565 5.863 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -13.020 1.745 5.202 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -14.075 3.169 5.365 1.00 0.00 H new ATOM 757 N ILE B 109 -11.934 2.754 0.142 1.00 0.00 N ATOM 758 CA ILE B 109 -11.189 3.520 -0.837 1.00 0.00 C ATOM 759 C ILE B 109 -11.387 2.917 -2.221 1.00 0.00 C ATOM 760 O ILE B 109 -11.257 3.612 -3.226 1.00 0.00 O ATOM 761 CB ILE B 109 -9.711 3.530 -0.456 1.00 0.00 C ATOM 762 CG1 ILE B 109 -9.536 4.239 0.884 1.00 0.00 C ATOM 763 CG2 ILE B 109 -8.915 4.267 -1.530 1.00 0.00 C ATOM 764 CD1 ILE B 109 -8.281 3.714 1.576 1.00 0.00 C ATOM 0 H ILE B 109 -11.361 2.130 0.710 1.00 0.00 H new ATOM 0 HA ILE B 109 -11.552 4.548 -0.855 1.00 0.00 H new ATOM 0 HB ILE B 109 -9.349 2.505 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -9.457 5.315 0.731 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -10.409 4.070 1.514 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -7.859 4.275 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -9.040 3.761 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -9.276 5.292 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -8.155 4.220 2.533 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -8.379 2.641 1.742 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -7.412 3.906 0.947 1.00 0.00 H new ATOM 776 N LEU B 110 -11.701 1.621 -2.271 1.00 0.00 N ATOM 777 CA LEU B 110 -11.914 0.933 -3.528 1.00 0.00 C ATOM 778 C LEU B 110 -13.350 1.136 -3.991 1.00 0.00 C ATOM 779 O LEU B 110 -13.592 1.448 -5.155 1.00 0.00 O ATOM 780 CB LEU B 110 -11.608 -0.552 -3.354 1.00 0.00 C ATOM 781 CG LEU B 110 -10.096 -0.763 -3.356 1.00 0.00 C ATOM 782 CD1 LEU B 110 -9.791 -2.256 -3.430 1.00 0.00 C ATOM 783 CD2 LEU B 110 -9.487 -0.058 -4.565 1.00 0.00 C ATOM 0 H LEU B 110 -11.812 1.032 -1.446 1.00 0.00 H new ATOM 0 HA LEU B 110 -11.247 1.342 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -12.036 -0.915 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -12.067 -1.126 -4.159 1.00 0.00 H new ATOM 0 HG LEU B 110 -9.669 -0.351 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -8.712 -2.407 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -10.227 -2.760 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -10.216 -2.669 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -8.407 -0.208 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -9.913 -0.471 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -9.705 1.009 -4.512 1.00 0.00 H new ATOM 795 N GLU B 111 -14.304 0.957 -3.074 1.00 0.00 N ATOM 796 CA GLU B 111 -15.708 1.123 -3.394 1.00 0.00 C ATOM 797 C GLU B 111 -15.961 2.534 -3.905 1.00 0.00 C ATOM 798 O GLU B 111 -16.656 2.724 -4.901 1.00 0.00 O ATOM 799 CB GLU B 111 -16.548 0.840 -2.151 1.00 0.00 C ATOM 800 CG GLU B 111 -16.631 -0.667 -1.927 1.00 0.00 C ATOM 801 CD GLU B 111 -17.576 -1.314 -2.930 1.00 0.00 C ATOM 802 OE1 GLU B 111 -17.267 -2.451 -3.348 1.00 0.00 O ATOM 803 OE2 GLU B 111 -18.589 -0.660 -3.259 1.00 0.00 O ATOM 0 H GLU B 111 -14.121 0.697 -2.105 1.00 0.00 H new ATOM 0 HA GLU B 111 -15.991 0.420 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -16.104 1.324 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -17.548 1.256 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -15.638 -1.108 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -16.976 -0.870 -0.913 1.00 0.00 H new ATOM 811 N GLY B 112 -15.393 3.529 -3.219 1.00 0.00 N ATOM 812 CA GLY B 112 -15.560 4.915 -3.608 1.00 0.00 C ATOM 813 C GLY B 112 -14.798 5.197 -4.895 1.00 0.00 C ATOM 814 O GLY B 112 -15.383 5.628 -5.886 1.00 0.00 O ATOM 0 H GLY B 112 -14.814 3.391 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -16.618 5.136 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -15.200 5.569 -2.813 1.00 0.00 H new ATOM 818 N THR B 113 -13.486 4.951 -4.877 1.00 0.00 N ATOM 819 CA THR B 113 -12.653 5.179 -6.041 1.00 0.00 C ATOM 820 C THR B 113 -13.201 4.404 -7.231 1.00 0.00 C ATOM 821 O THR B 113 -12.998 4.795 -8.378 1.00 0.00 O ATOM 822 CB THR B 113 -11.221 4.753 -5.731 1.00 0.00 C ATOM 823 OG1 THR B 113 -10.679 5.606 -4.748 1.00 0.00 O ATOM 824 CG2 THR B 113 -10.378 4.841 -7.001 1.00 0.00 C ATOM 0 H THR B 113 -12.985 4.593 -4.064 1.00 0.00 H new ATOM 0 HA THR B 113 -12.657 6.240 -6.293 1.00 0.00 H new ATOM 0 HB THR B 113 -11.219 3.727 -5.363 1.00 0.00 H new ATOM 0 HG1 THR B 113 -10.565 5.110 -3.911 1.00 0.00 H new ATOM 0 HG21 THR B 113 -9.355 4.537 -6.780 1.00 0.00 H new ATOM 0 HG22 THR B 113 -10.796 4.182 -7.762 1.00 0.00 H new ATOM 0 HG23 THR B 113 -10.380 5.867 -7.369 1.00 0.00 H new ATOM 832 N ALA B 114 -13.899 3.301 -6.953 1.00 0.00 N ATOM 833 CA ALA B 114 -14.472 2.475 -7.997 1.00 0.00 C ATOM 834 C ALA B 114 -15.568 3.245 -8.720 1.00 0.00 C ATOM 835 O ALA B 114 -15.456 3.516 -9.913 1.00 0.00 O ATOM 836 CB ALA B 114 -15.026 1.193 -7.384 1.00 0.00 C ATOM 0 H ALA B 114 -14.077 2.965 -6.007 1.00 0.00 H new ATOM 0 HA ALA B 114 -13.702 2.212 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -15.457 0.571 -8.169 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -14.221 0.648 -6.891 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -15.796 1.442 -6.654 1.00 0.00 H new ATOM 842 N VAL B 115 -16.630 3.598 -7.992 1.00 0.00 N ATOM 843 CA VAL B 115 -17.740 4.333 -8.565 1.00 0.00 C ATOM 844 C VAL B 115 -17.288 5.737 -8.940 1.00 0.00 C ATOM 845 O VAL B 115 -17.905 6.385 -9.782 1.00 0.00 O ATOM 846 CB VAL B 115 -18.887 4.384 -7.560 1.00 0.00 C ATOM 847 CG1 VAL B 115 -20.184 4.730 -8.287 1.00 0.00 C ATOM 848 CG2 VAL B 115 -19.031 3.024 -6.883 1.00 0.00 C ATOM 0 H VAL B 115 -16.737 3.382 -7.001 1.00 0.00 H new ATOM 0 HA VAL B 115 -18.088 3.831 -9.468 1.00 0.00 H new ATOM 0 HB VAL B 115 -18.678 5.144 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL B 115 -21.004 4.767 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL B 115 -20.082 5.701 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL B 115 -20.393 3.970 -9.039 1.00 0.00 H new ATOM 0 HG21 VAL B 115 -19.850 3.060 -6.165 1.00 0.00 H new ATOM 0 HG22 VAL B 115 -19.241 2.264 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL B 115 -18.105 2.776 -6.365 1.00 0.00 H new ATOM 858 N ILE B 116 -16.207 6.206 -8.312 1.00 0.00 N ATOM 859 CA ILE B 116 -15.677 7.527 -8.582 1.00 0.00 C ATOM 860 C ILE B 116 -14.993 7.539 -9.942 1.00 0.00 C ATOM 861 O ILE B 116 -15.436 8.232 -10.855 1.00 0.00 O ATOM 862 CB ILE B 116 -14.696 7.917 -7.479 1.00 0.00 C ATOM 863 CG1 ILE B 116 -15.471 8.312 -6.225 1.00 0.00 C ATOM 864 CG2 ILE B 116 -13.848 9.096 -7.946 1.00 0.00 C ATOM 865 CD1 ILE B 116 -14.549 8.234 -5.012 1.00 0.00 C ATOM 0 H ILE B 116 -15.685 5.680 -7.611 1.00 0.00 H new ATOM 0 HA ILE B 116 -16.490 8.253 -8.599 1.00 0.00 H new ATOM 0 HB ILE B 116 -14.048 7.070 -7.253 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -15.865 9.323 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -16.326 7.649 -6.089 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -13.148 9.375 -7.159 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -13.294 8.814 -8.841 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -14.496 9.943 -8.172 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -15.102 8.516 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -14.177 7.215 -4.903 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -13.709 8.915 -5.149 1.00 0.00 H new ATOM 877 N ALA B 117 -13.910 6.770 -10.075 1.00 0.00 N ATOM 878 CA ALA B 117 -13.172 6.697 -11.320 1.00 0.00 C ATOM 879 C ALA B 117 -14.128 6.416 -12.470 1.00 0.00 C ATOM 880 O ALA B 117 -13.932 6.909 -13.578 1.00 0.00 O ATOM 881 CB ALA B 117 -12.112 5.604 -11.218 1.00 0.00 C ATOM 0 H ALA B 117 -13.530 6.190 -9.327 1.00 0.00 H new ATOM 0 HA ALA B 117 -12.676 7.649 -11.510 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -11.556 5.548 -12.154 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -11.427 5.836 -10.402 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -12.595 4.646 -11.025 1.00 0.00 H new ATOM 887 N MET B 118 -15.166 5.619 -12.204 1.00 0.00 N ATOM 888 CA MET B 118 -16.143 5.276 -13.218 1.00 0.00 C ATOM 889 C MET B 118 -16.820 6.538 -13.733 1.00 0.00 C ATOM 890 O MET B 118 -16.746 6.848 -14.920 1.00 0.00 O ATOM 891 CB MET B 118 -17.171 4.315 -12.627 1.00 0.00 C ATOM 892 CG MET B 118 -16.706 2.877 -12.844 1.00 0.00 C ATOM 893 SD MET B 118 -18.029 1.649 -12.706 1.00 0.00 S ATOM 894 CE MET B 118 -19.335 2.529 -13.597 1.00 0.00 C ATOM 0 H MET B 118 -15.344 5.203 -11.290 1.00 0.00 H new ATOM 0 HA MET B 118 -15.646 4.788 -14.056 1.00 0.00 H new ATOM 0 HB2 MET B 118 -17.298 4.511 -11.562 1.00 0.00 H new ATOM 0 HB3 MET B 118 -18.142 4.470 -13.098 1.00 0.00 H new ATOM 0 HG2 MET B 118 -16.252 2.798 -13.832 1.00 0.00 H new ATOM 0 HG3 MET B 118 -15.929 2.643 -12.116 1.00 0.00 H new ATOM 0 HE1 MET B 118 -20.202 1.878 -13.708 1.00 0.00 H new ATOM 0 HE2 MET B 118 -19.619 3.421 -13.038 1.00 0.00 H new ATOM 0 HE3 MET B 118 -18.971 2.819 -14.583 1.00 0.00 H new ATOM 1274 N THR C 203 -5.810 -12.055 -1.724 1.00 0.00 N ATOM 1275 CA THR C 203 -6.485 -10.799 -1.983 1.00 0.00 C ATOM 1276 C THR C 203 -7.700 -11.036 -2.869 1.00 0.00 C ATOM 1277 O THR C 203 -8.695 -10.323 -2.769 1.00 0.00 O ATOM 1278 CB THR C 203 -5.514 -9.828 -2.647 1.00 0.00 C ATOM 1279 OG1 THR C 203 -4.420 -9.596 -1.788 1.00 0.00 O ATOM 1280 CG2 THR C 203 -6.227 -8.509 -2.930 1.00 0.00 C ATOM 0 HA THR C 203 -6.826 -10.366 -1.043 1.00 0.00 H new ATOM 0 HB THR C 203 -5.156 -10.256 -3.584 1.00 0.00 H new ATOM 0 HG1 THR C 203 -4.300 -10.367 -1.196 1.00 0.00 H new ATOM 0 HG21 THR C 203 -5.533 -7.815 -3.404 1.00 0.00 H new ATOM 0 HG22 THR C 203 -7.073 -8.688 -3.594 1.00 0.00 H new ATOM 0 HG23 THR C 203 -6.585 -8.081 -1.994 1.00 0.00 H new ATOM 1288 N ASN C 204 -7.615 -12.045 -3.739 1.00 0.00 N ATOM 1289 CA ASN C 204 -8.705 -12.373 -4.636 1.00 0.00 C ATOM 1290 C ASN C 204 -10.030 -12.304 -3.890 1.00 0.00 C ATOM 1291 O ASN C 204 -10.970 -11.658 -4.345 1.00 0.00 O ATOM 1292 CB ASN C 204 -8.482 -13.767 -5.216 1.00 0.00 C ATOM 1293 CG ASN C 204 -8.917 -14.841 -4.230 1.00 0.00 C ATOM 1294 OD1 ASN C 204 -9.819 -15.625 -4.520 1.00 0.00 O ATOM 1295 ND2 ASN C 204 -8.272 -14.878 -3.061 1.00 0.00 N ATOM 0 H ASN C 204 -6.796 -12.646 -3.835 1.00 0.00 H new ATOM 0 HA ASN C 204 -8.736 -11.653 -5.454 1.00 0.00 H new ATOM 0 HB2 ASN C 204 -9.042 -13.872 -6.145 1.00 0.00 H new ATOM 0 HB3 ASN C 204 -7.428 -13.899 -5.462 1.00 0.00 H new ATOM 0 HD21 ASN C 204 -8.521 -15.579 -2.363 1.00 0.00 H new ATOM 0 HD22 ASN C 204 -7.530 -14.206 -2.866 1.00 0.00 H new ATOM 1302 N LEU C 205 -10.101 -12.975 -2.738 1.00 0.00 N ATOM 1303 CA LEU C 205 -11.306 -12.988 -1.933 1.00 0.00 C ATOM 1304 C LEU C 205 -11.891 -11.585 -1.856 1.00 0.00 C ATOM 1305 O LEU C 205 -13.087 -11.395 -2.067 1.00 0.00 O ATOM 1306 CB LEU C 205 -10.980 -13.515 -0.539 1.00 0.00 C ATOM 1307 CG LEU C 205 -11.055 -15.039 -0.541 1.00 0.00 C ATOM 1308 CD1 LEU C 205 -10.499 -15.578 0.774 1.00 0.00 C ATOM 1309 CD2 LEU C 205 -12.508 -15.478 -0.697 1.00 0.00 C ATOM 0 H LEU C 205 -9.330 -13.516 -2.348 1.00 0.00 H new ATOM 0 HA LEU C 205 -12.046 -13.644 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU C 205 -9.984 -13.190 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU C 205 -11.681 -13.107 0.189 1.00 0.00 H new ATOM 0 HG LEU C 205 -10.467 -15.430 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU C 205 -10.553 -16.667 0.773 1.00 0.00 H new ATOM 0 HD12 LEU C 205 -9.461 -15.266 0.885 1.00 0.00 H new ATOM 0 HD13 LEU C 205 -11.086 -15.187 1.605 1.00 0.00 H new ATOM 0 HD21 LEU C 205 -12.561 -16.567 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU C 205 -13.097 -15.087 0.132 1.00 0.00 H new ATOM 0 HD23 LEU C 205 -12.905 -15.094 -1.637 1.00 0.00 H new ATOM 1321 N GLU C 206 -11.043 -10.600 -1.552 1.00 0.00 N ATOM 1322 CA GLU C 206 -11.480 -9.222 -1.450 1.00 0.00 C ATOM 1323 C GLU C 206 -11.958 -8.727 -2.808 1.00 0.00 C ATOM 1324 O GLU C 206 -12.854 -7.889 -2.887 1.00 0.00 O ATOM 1325 CB GLU C 206 -10.330 -8.361 -0.935 1.00 0.00 C ATOM 1326 CG GLU C 206 -10.061 -8.694 0.529 1.00 0.00 C ATOM 1327 CD GLU C 206 -9.995 -10.200 0.741 1.00 0.00 C ATOM 1328 OE1 GLU C 206 -10.901 -10.716 1.431 1.00 0.00 O ATOM 1329 OE2 GLU C 206 -9.041 -10.807 0.208 1.00 0.00 O ATOM 0 H GLU C 206 -10.049 -10.740 -1.373 1.00 0.00 H new ATOM 0 HA GLU C 206 -12.312 -9.153 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU C 206 -9.434 -8.539 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU C 206 -10.578 -7.305 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU C 206 -9.123 -8.237 0.843 1.00 0.00 H new ATOM 0 HG3 GLU C 206 -10.847 -8.269 1.153 1.00 0.00 H new ATOM 1337 N ILE C 207 -11.357 -9.250 -3.879 1.00 0.00 N ATOM 1338 CA ILE C 207 -11.722 -8.865 -5.228 1.00 0.00 C ATOM 1339 C ILE C 207 -13.150 -9.304 -5.520 1.00 0.00 C ATOM 1340 O ILE C 207 -13.851 -8.661 -6.298 1.00 0.00 O ATOM 1341 CB ILE C 207 -10.747 -9.495 -6.218 1.00 0.00 C ATOM 1342 CG1 ILE C 207 -9.316 -9.250 -5.750 1.00 0.00 C ATOM 1343 CG2 ILE C 207 -10.946 -8.870 -7.596 1.00 0.00 C ATOM 1344 CD1 ILE C 207 -8.350 -9.529 -6.899 1.00 0.00 C ATOM 0 H ILE C 207 -10.612 -9.945 -3.829 1.00 0.00 H new ATOM 0 HA ILE C 207 -11.669 -7.781 -5.329 1.00 0.00 H new ATOM 0 HB ILE C 207 -10.931 -10.568 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE C 207 -9.205 -8.221 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE C 207 -9.084 -9.894 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE C 207 -10.250 -9.320 -8.304 1.00 0.00 H new ATOM 0 HG22 ILE C 207 -11.968 -9.046 -7.931 1.00 0.00 H new ATOM 0 HG23 ILE C 207 -10.763 -7.797 -7.539 1.00 0.00 H new ATOM 0 HD11 ILE C 207 -7.327 -9.354 -6.565 1.00 0.00 H new ATOM 0 HD12 ILE C 207 -8.455 -10.566 -7.219 1.00 0.00 H new ATOM 0 HD13 ILE C 207 -8.577 -8.867 -7.734 1.00 0.00 H new ATOM 1356 N ILE C 208 -13.579 -10.402 -4.894 1.00 0.00 N ATOM 1357 CA ILE C 208 -14.918 -10.921 -5.088 1.00 0.00 C ATOM 1358 C ILE C 208 -15.915 -10.075 -4.309 1.00 0.00 C ATOM 1359 O ILE C 208 -16.992 -9.762 -4.812 1.00 0.00 O ATOM 1360 CB ILE C 208 -14.970 -12.377 -4.632 1.00 0.00 C ATOM 1361 CG1 ILE C 208 -14.137 -13.237 -5.579 1.00 0.00 C ATOM 1362 CG2 ILE C 208 -16.417 -12.862 -4.645 1.00 0.00 C ATOM 1363 CD1 ILE C 208 -13.764 -14.543 -4.884 1.00 0.00 C ATOM 0 H ILE C 208 -13.008 -10.946 -4.246 1.00 0.00 H new ATOM 0 HA ILE C 208 -15.181 -10.877 -6.145 1.00 0.00 H new ATOM 0 HB ILE C 208 -14.569 -12.456 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE C 208 -14.700 -13.445 -6.489 1.00 0.00 H new ATOM 0 HG13 ILE C 208 -13.236 -12.701 -5.877 1.00 0.00 H new ATOM 0 HG21 ILE C 208 -16.455 -13.902 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE C 208 -17.013 -12.248 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE C 208 -16.818 -12.783 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE C 208 -13.169 -15.158 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE C 208 -13.185 -14.325 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE C 208 -14.671 -15.081 -4.608 1.00 0.00 H new ATOM 1375 N ILE C 209 -15.555 -9.705 -3.078 1.00 0.00 N ATOM 1376 CA ILE C 209 -16.415 -8.898 -2.237 1.00 0.00 C ATOM 1377 C ILE C 209 -16.370 -7.447 -2.696 1.00 0.00 C ATOM 1378 O ILE C 209 -17.312 -6.692 -2.467 1.00 0.00 O ATOM 1379 CB ILE C 209 -15.967 -9.021 -0.784 1.00 0.00 C ATOM 1380 CG1 ILE C 209 -16.129 -10.466 -0.321 1.00 0.00 C ATOM 1381 CG2 ILE C 209 -16.821 -8.108 0.091 1.00 0.00 C ATOM 1382 CD1 ILE C 209 -15.136 -10.755 0.802 1.00 0.00 C ATOM 0 H ILE C 209 -14.666 -9.958 -2.647 1.00 0.00 H new ATOM 0 HA ILE C 209 -17.443 -9.251 -2.316 1.00 0.00 H new ATOM 0 HB ILE C 209 -14.920 -8.729 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE C 209 -17.148 -10.635 0.027 1.00 0.00 H new ATOM 0 HG13 ILE C 209 -15.960 -11.147 -1.155 1.00 0.00 H new ATOM 0 HG21 ILE C 209 -16.501 -8.196 1.129 1.00 0.00 H new ATOM 0 HG22 ILE C 209 -16.705 -7.076 -0.238 1.00 0.00 H new ATOM 0 HG23 ILE C 209 -17.868 -8.400 0.008 1.00 0.00 H new ATOM 0 HD11 ILE C 209 -15.251 -11.787 1.133 1.00 0.00 H new ATOM 0 HD12 ILE C 209 -14.120 -10.602 0.438 1.00 0.00 H new ATOM 0 HD13 ILE C 209 -15.327 -10.082 1.638 1.00 0.00 H new ATOM 1394 N LEU C 210 -15.270 -7.059 -3.345 1.00 0.00 N ATOM 1395 CA LEU C 210 -15.107 -5.703 -3.832 1.00 0.00 C ATOM 1396 C LEU C 210 -15.769 -5.561 -5.195 1.00 0.00 C ATOM 1397 O LEU C 210 -16.497 -4.602 -5.438 1.00 0.00 O ATOM 1398 CB LEU C 210 -13.621 -5.368 -3.915 1.00 0.00 C ATOM 1399 CG LEU C 210 -13.090 -5.059 -2.519 1.00 0.00 C ATOM 1400 CD1 LEU C 210 -11.679 -4.489 -2.625 1.00 0.00 C ATOM 1401 CD2 LEU C 210 -14.002 -4.039 -1.842 1.00 0.00 C ATOM 0 H LEU C 210 -14.480 -7.674 -3.542 1.00 0.00 H new ATOM 0 HA LEU C 210 -15.585 -5.006 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU C 210 -13.072 -6.205 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU C 210 -13.466 -4.512 -4.572 1.00 0.00 H new ATOM 0 HG LEU C 210 -13.068 -5.975 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU C 210 -11.300 -4.268 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU C 210 -11.028 -5.218 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU C 210 -11.700 -3.573 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU C 210 -13.623 -3.818 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU C 210 -14.025 -3.123 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU C 210 -15.010 -4.447 -1.765 1.00 0.00 H new ATOM 1413 N GLU C 211 -15.514 -6.522 -6.087 1.00 0.00 N ATOM 1414 CA GLU C 211 -16.087 -6.498 -7.417 1.00 0.00 C ATOM 1415 C GLU C 211 -17.607 -6.485 -7.329 1.00 0.00 C ATOM 1416 O GLU C 211 -18.267 -5.719 -8.027 1.00 0.00 O ATOM 1417 CB GLU C 211 -15.602 -7.715 -8.200 1.00 0.00 C ATOM 1418 CG GLU C 211 -14.166 -7.484 -8.662 1.00 0.00 C ATOM 1419 CD GLU C 211 -14.121 -6.499 -9.821 1.00 0.00 C ATOM 1420 OE1 GLU C 211 -13.150 -5.712 -9.859 1.00 0.00 O ATOM 1421 OE2 GLU C 211 -15.057 -6.551 -10.647 1.00 0.00 O ATOM 0 H GLU C 211 -14.912 -7.324 -5.903 1.00 0.00 H new ATOM 0 HA GLU C 211 -15.767 -5.595 -7.936 1.00 0.00 H new ATOM 0 HB2 GLU C 211 -15.655 -8.607 -7.576 1.00 0.00 H new ATOM 0 HB3 GLU C 211 -16.249 -7.889 -9.060 1.00 0.00 H new ATOM 0 HG2 GLU C 211 -13.570 -7.104 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU C 211 -13.721 -8.431 -8.967 1.00 0.00 H new ATOM 1429 N GLY C 212 -18.161 -7.337 -6.464 1.00 0.00 N ATOM 1430 CA GLY C 212 -19.598 -7.417 -6.289 1.00 0.00 C ATOM 1431 C GLY C 212 -20.114 -6.170 -5.585 1.00 0.00 C ATOM 1432 O GLY C 212 -20.970 -5.463 -6.113 1.00 0.00 O ATOM 0 H GLY C 212 -17.629 -7.979 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY C 212 -20.084 -7.523 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY C 212 -19.852 -8.303 -5.707 1.00 0.00 H new ATOM 1436 N THR C 213 -19.590 -5.902 -4.387 1.00 0.00 N ATOM 1437 CA THR C 213 -19.999 -4.743 -3.619 1.00 0.00 C ATOM 1438 C THR C 213 -19.809 -3.479 -4.446 1.00 0.00 C ATOM 1439 O THR C 213 -20.505 -2.487 -4.240 1.00 0.00 O ATOM 1440 CB THR C 213 -19.185 -4.674 -2.331 1.00 0.00 C ATOM 1441 OG1 THR C 213 -19.517 -5.768 -1.506 1.00 0.00 O ATOM 1442 CG2 THR C 213 -19.498 -3.372 -1.600 1.00 0.00 C ATOM 0 H THR C 213 -18.881 -6.478 -3.934 1.00 0.00 H new ATOM 0 HA THR C 213 -21.055 -4.828 -3.362 1.00 0.00 H new ATOM 0 HB THR C 213 -18.122 -4.709 -2.571 1.00 0.00 H new ATOM 0 HG1 THR C 213 -18.742 -6.362 -1.423 1.00 0.00 H new ATOM 0 HG21 THR C 213 -18.916 -3.323 -0.680 1.00 0.00 H new ATOM 0 HG22 THR C 213 -19.241 -2.526 -2.237 1.00 0.00 H new ATOM 0 HG23 THR C 213 -20.561 -3.336 -1.360 1.00 0.00 H new ATOM 1450 N ALA C 214 -18.861 -3.518 -5.385 1.00 0.00 N ATOM 1451 CA ALA C 214 -18.582 -2.380 -6.237 1.00 0.00 C ATOM 1452 C ALA C 214 -19.772 -2.113 -7.147 1.00 0.00 C ATOM 1453 O ALA C 214 -20.394 -1.055 -7.064 1.00 0.00 O ATOM 1454 CB ALA C 214 -17.325 -2.657 -7.058 1.00 0.00 C ATOM 0 H ALA C 214 -18.276 -4.333 -5.568 1.00 0.00 H new ATOM 0 HA ALA C 214 -18.413 -1.495 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA C 214 -17.114 -1.802 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA C 214 -16.482 -2.825 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA C 214 -17.481 -3.543 -7.674 1.00 0.00 H new ATOM 1460 N VAL C 215 -20.089 -3.075 -8.016 1.00 0.00 N ATOM 1461 CA VAL C 215 -21.201 -2.940 -8.936 1.00 0.00 C ATOM 1462 C VAL C 215 -22.511 -2.941 -8.162 1.00 0.00 C ATOM 1463 O VAL C 215 -23.524 -2.447 -8.653 1.00 0.00 O ATOM 1464 CB VAL C 215 -21.167 -4.083 -9.945 1.00 0.00 C ATOM 1465 CG1 VAL C 215 -22.020 -3.718 -11.157 1.00 0.00 C ATOM 1466 CG2 VAL C 215 -19.728 -4.326 -10.390 1.00 0.00 C ATOM 0 H VAL C 215 -19.583 -3.957 -8.096 1.00 0.00 H new ATOM 0 HA VAL C 215 -21.121 -1.996 -9.475 1.00 0.00 H new ATOM 0 HB VAL C 215 -21.562 -4.988 -9.482 1.00 0.00 H new ATOM 0 HG11 VAL C 215 -21.996 -4.535 -11.878 1.00 0.00 H new ATOM 0 HG12 VAL C 215 -23.048 -3.545 -10.839 1.00 0.00 H new ATOM 0 HG13 VAL C 215 -21.626 -2.813 -11.620 1.00 0.00 H new ATOM 0 HG21 VAL C 215 -19.703 -5.143 -11.111 1.00 0.00 H new ATOM 0 HG22 VAL C 215 -19.332 -3.422 -10.852 1.00 0.00 H new ATOM 0 HG23 VAL C 215 -19.119 -4.587 -9.525 1.00 0.00 H new ATOM 1476 N ILE C 216 -22.490 -3.496 -6.948 1.00 0.00 N ATOM 1477 CA ILE C 216 -23.672 -3.558 -6.113 1.00 0.00 C ATOM 1478 C ILE C 216 -23.986 -2.174 -5.562 1.00 0.00 C ATOM 1479 O ILE C 216 -25.025 -1.599 -5.879 1.00 0.00 O ATOM 1480 CB ILE C 216 -23.442 -4.553 -4.979 1.00 0.00 C ATOM 1481 CG1 ILE C 216 -23.558 -5.975 -5.518 1.00 0.00 C ATOM 1482 CG2 ILE C 216 -24.488 -4.334 -3.890 1.00 0.00 C ATOM 1483 CD1 ILE C 216 -22.872 -6.942 -4.556 1.00 0.00 C ATOM 0 H ILE C 216 -21.658 -3.909 -6.527 1.00 0.00 H new ATOM 0 HA ILE C 216 -24.524 -3.894 -6.705 1.00 0.00 H new ATOM 0 HB ILE C 216 -22.446 -4.404 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE C 216 -24.607 -6.246 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE C 216 -23.099 -6.040 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE C 216 -24.324 -5.045 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE C 216 -24.404 -3.318 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE C 216 -25.484 -4.483 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE C 216 -22.955 -7.958 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE C 216 -21.820 -6.675 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE C 216 -23.351 -6.884 -3.579 1.00 0.00 H new ATOM 1495 N ALA C 217 -23.084 -1.639 -4.735 1.00 0.00 N ATOM 1496 CA ALA C 217 -23.270 -0.329 -4.146 1.00 0.00 C ATOM 1497 C ALA C 217 -23.606 0.682 -5.232 1.00 0.00 C ATOM 1498 O ALA C 217 -24.382 1.608 -5.004 1.00 0.00 O ATOM 1499 CB ALA C 217 -22.001 0.078 -3.403 1.00 0.00 C ATOM 0 H ALA C 217 -22.217 -2.103 -4.463 1.00 0.00 H new ATOM 0 HA ALA C 217 -24.097 -0.359 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA C 217 -22.140 1.064 -2.959 1.00 0.00 H new ATOM 0 HB2 ALA C 217 -21.791 -0.647 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA C 217 -21.165 0.109 -4.101 1.00 0.00 H new ATOM 1505 N MET C 218 -23.020 0.504 -6.418 1.00 0.00 N ATOM 1506 CA MET C 218 -23.259 1.401 -7.530 1.00 0.00 C ATOM 1507 C MET C 218 -24.737 1.394 -7.893 1.00 0.00 C ATOM 1508 O MET C 218 -25.400 2.428 -7.838 1.00 0.00 O ATOM 1509 CB MET C 218 -22.409 0.971 -8.722 1.00 0.00 C ATOM 1510 CG MET C 218 -21.061 1.685 -8.669 1.00 0.00 C ATOM 1511 SD MET C 218 -20.183 1.716 -10.252 1.00 0.00 S ATOM 1512 CE MET C 218 -21.577 2.077 -11.349 1.00 0.00 C ATOM 0 H MET C 218 -22.375 -0.259 -6.625 1.00 0.00 H new ATOM 0 HA MET C 218 -22.980 2.416 -7.248 1.00 0.00 H new ATOM 0 HB2 MET C 218 -22.262 -0.109 -8.707 1.00 0.00 H new ATOM 0 HB3 MET C 218 -22.923 1.209 -9.653 1.00 0.00 H new ATOM 0 HG2 MET C 218 -21.217 2.710 -8.331 1.00 0.00 H new ATOM 0 HG3 MET C 218 -20.431 1.197 -7.925 1.00 0.00 H new ATOM 0 HE1 MET C 218 -21.203 2.463 -12.297 1.00 0.00 H new ATOM 0 HE2 MET C 218 -22.146 1.164 -11.527 1.00 0.00 H new ATOM 0 HE3 MET C 218 -22.223 2.822 -10.884 1.00 0.00 H new