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 162:sc= -9.22! (180deg=-2.35!) USER MOD Set 1.2: B 118 MET CE :methyl 171:sc= -9.58! (180deg=-2.23!) USER MOD Set 1.3: C 218 MET CE :methyl 160:sc= -9.17! (180deg=-2.15!) USER MOD Single : A 3 THR OG1 : rot -100:sc= -0.946 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 108:sc= 1.18 USER MOD Single : B 103 THR OG1 : rot -100:sc= -0.858 USER MOD Single : B 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 113 THR OG1 : rot 92:sc= 1.15 USER MOD Single : C 203 THR OG1 : rot -100:sc= -0.996 USER MOD Single : C 204 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 213 THR OG1 : rot 93:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 3 -1.458 -2.827 -1.306 1.00 0.00 N ATOM 39 CA THR A 3 -2.878 -2.920 -1.581 1.00 0.00 C ATOM 40 C THR A 3 -3.192 -2.262 -2.917 1.00 0.00 C ATOM 41 O THR A 3 -4.055 -2.730 -3.657 1.00 0.00 O ATOM 42 CB THR A 3 -3.659 -2.252 -0.453 1.00 0.00 C ATOM 43 OG1 THR A 3 -5.039 -2.313 -0.737 1.00 0.00 O ATOM 44 CG2 THR A 3 -3.228 -0.793 -0.330 1.00 0.00 C ATOM 0 HA THR A 3 -3.172 -3.968 -1.638 1.00 0.00 H new ATOM 0 HB THR A 3 -3.458 -2.770 0.485 1.00 0.00 H new ATOM 0 HG1 THR A 3 -5.337 -1.452 -1.099 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.786 -0.316 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.161 -0.746 -0.110 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.429 -0.274 -1.267 1.00 0.00 H new ATOM 52 N ASN A 4 -2.487 -1.171 -3.225 1.00 0.00 N ATOM 53 CA ASN A 4 -2.692 -0.456 -4.468 1.00 0.00 C ATOM 54 C ASN A 4 -2.837 -1.443 -5.617 1.00 0.00 C ATOM 55 O ASN A 4 -3.789 -1.366 -6.390 1.00 0.00 O ATOM 56 CB ASN A 4 -1.517 0.487 -4.710 1.00 0.00 C ATOM 57 CG ASN A 4 -1.347 0.773 -6.195 1.00 0.00 C ATOM 58 OD1 ASN A 4 -2.160 1.477 -6.790 1.00 0.00 O ATOM 59 ND2 ASN A 4 -0.286 0.227 -6.792 1.00 0.00 N ATOM 0 H ASN A 4 -1.769 -0.769 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.608 0.132 -4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.678 1.421 -4.172 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.603 0.045 -4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.122 0.387 -7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.361 -0.350 -6.255 1.00 0.00 H new ATOM 66 N LEU A 5 -1.886 -2.374 -5.727 1.00 0.00 N ATOM 67 CA LEU A 5 -1.910 -3.371 -6.778 1.00 0.00 C ATOM 68 C LEU A 5 -3.323 -3.910 -6.947 1.00 0.00 C ATOM 69 O LEU A 5 -3.832 -3.988 -8.063 1.00 0.00 O ATOM 70 CB LEU A 5 -0.940 -4.497 -6.432 1.00 0.00 C ATOM 71 CG LEU A 5 0.450 -4.150 -6.958 1.00 0.00 C ATOM 72 CD1 LEU A 5 1.419 -5.279 -6.619 1.00 0.00 C ATOM 73 CD2 LEU A 5 0.391 -3.968 -8.472 1.00 0.00 C ATOM 0 H LEU A 5 -1.090 -2.451 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.601 -2.919 -7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.906 -4.643 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.283 -5.434 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 5 0.793 -3.225 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.412 -5.031 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.462 -5.409 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.076 -6.204 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.384 -3.720 -8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.048 -4.892 -8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.301 -3.161 -8.715 1.00 0.00 H new ATOM 85 N GLU A 6 -3.957 -4.284 -5.833 1.00 0.00 N ATOM 86 CA GLU A 6 -5.307 -4.811 -5.865 1.00 0.00 C ATOM 87 C GLU A 6 -6.272 -3.740 -6.354 1.00 0.00 C ATOM 88 O GLU A 6 -7.276 -4.049 -6.991 1.00 0.00 O ATOM 89 CB GLU A 6 -5.696 -5.293 -4.470 1.00 0.00 C ATOM 90 CG GLU A 6 -4.870 -6.523 -4.107 1.00 0.00 C ATOM 91 CD GLU A 6 -3.383 -6.253 -4.295 1.00 0.00 C ATOM 92 OE1 GLU A 6 -2.804 -6.881 -5.208 1.00 0.00 O ATOM 93 OE2 GLU A 6 -2.855 -5.426 -3.522 1.00 0.00 O ATOM 0 H GLU A 6 -3.549 -4.228 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.355 -5.654 -6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.528 -4.501 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.759 -5.534 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.065 -6.804 -3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.172 -7.366 -4.729 1.00 0.00 H new ATOM 101 N ILE A 7 -5.962 -2.476 -6.055 1.00 0.00 N ATOM 102 CA ILE A 7 -6.797 -1.365 -6.466 1.00 0.00 C ATOM 103 C ILE A 7 -6.800 -1.257 -7.984 1.00 0.00 C ATOM 104 O ILE A 7 -7.784 -0.814 -8.574 1.00 0.00 O ATOM 105 CB ILE A 7 -6.278 -0.078 -5.831 1.00 0.00 C ATOM 106 CG1 ILE A 7 -6.032 -0.307 -4.343 1.00 0.00 C ATOM 107 CG2 ILE A 7 -7.311 1.030 -6.012 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.920 1.039 -3.633 1.00 0.00 C ATOM 0 H ILE A 7 -5.133 -2.205 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.821 -1.531 -6.132 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.344 0.213 -6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.847 -0.890 -3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.118 -0.883 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.941 1.950 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.486 1.194 -7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.245 0.739 -5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.744 0.876 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.090 1.605 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.846 1.599 -3.766 1.00 0.00 H new ATOM 120 N ILE A 8 -5.696 -1.662 -8.616 1.00 0.00 N ATOM 121 CA ILE A 8 -5.577 -1.611 -10.059 1.00 0.00 C ATOM 122 C ILE A 8 -6.361 -2.757 -10.682 1.00 0.00 C ATOM 123 O ILE A 8 -7.046 -2.569 -11.685 1.00 0.00 O ATOM 124 CB ILE A 8 -4.104 -1.687 -10.450 1.00 0.00 C ATOM 125 CG1 ILE A 8 -3.374 -0.453 -9.927 1.00 0.00 C ATOM 126 CG2 ILE A 8 -3.983 -1.743 -11.970 1.00 0.00 C ATOM 127 CD1 ILE A 8 -1.870 -0.713 -9.929 1.00 0.00 C ATOM 0 H ILE A 8 -4.872 -2.029 -8.140 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.989 -0.672 -10.429 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.659 -2.583 -10.017 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.605 0.411 -10.550 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.712 -0.218 -8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.931 -1.797 -12.249 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.504 -2.624 -12.344 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.428 -0.847 -12.404 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.348 0.168 -9.556 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.647 -1.566 -9.288 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.539 -0.927 -10.945 1.00 0.00 H new ATOM 139 N ILE A 9 -6.259 -3.947 -10.085 1.00 0.00 N ATOM 140 CA ILE A 9 -6.958 -5.116 -10.580 1.00 0.00 C ATOM 141 C ILE A 9 -8.428 -5.040 -10.191 1.00 0.00 C ATOM 142 O ILE A 9 -9.276 -5.645 -10.843 1.00 0.00 O ATOM 143 CB ILE A 9 -6.311 -6.374 -10.010 1.00 0.00 C ATOM 144 CG1 ILE A 9 -4.906 -6.530 -10.585 1.00 0.00 C ATOM 145 CG2 ILE A 9 -7.152 -7.592 -10.383 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.181 -7.659 -9.858 1.00 0.00 C ATOM 0 H ILE A 9 -5.693 -4.118 -9.254 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.892 -5.152 -11.667 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.252 -6.292 -8.925 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.960 -6.746 -11.652 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.351 -5.598 -10.476 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.690 -8.492 -9.976 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.155 -7.481 -9.972 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.212 -7.674 -11.468 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.177 -7.771 -10.268 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.114 -7.424 -8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.733 -8.590 -9.990 1.00 0.00 H new ATOM 158 N LEU A 10 -8.728 -4.293 -9.125 1.00 0.00 N ATOM 159 CA LEU A 10 -10.091 -4.142 -8.656 1.00 0.00 C ATOM 160 C LEU A 10 -10.776 -3.015 -9.414 1.00 0.00 C ATOM 161 O LEU A 10 -11.898 -3.175 -9.891 1.00 0.00 O ATOM 162 CB LEU A 10 -10.083 -3.859 -7.157 1.00 0.00 C ATOM 163 CG LEU A 10 -9.834 -5.157 -6.395 1.00 0.00 C ATOM 164 CD1 LEU A 10 -10.060 -4.925 -4.904 1.00 0.00 C ATOM 165 CD2 LEU A 10 -10.796 -6.232 -6.894 1.00 0.00 C ATOM 0 H LEU A 10 -8.036 -3.785 -8.574 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.646 -5.063 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.308 -3.130 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.035 -3.424 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.807 -5.483 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.882 -5.853 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.373 -4.158 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.087 -4.599 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.619 -7.160 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.823 -5.906 -6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.634 -6.399 -7.959 1.00 0.00 H new ATOM 177 N GLU A 11 -10.098 -1.870 -9.525 1.00 0.00 N ATOM 178 CA GLU A 11 -10.645 -0.725 -10.225 1.00 0.00 C ATOM 179 C GLU A 11 -10.952 -1.096 -11.669 1.00 0.00 C ATOM 180 O GLU A 11 -11.993 -0.721 -12.203 1.00 0.00 O ATOM 181 CB GLU A 11 -9.649 0.430 -10.164 1.00 0.00 C ATOM 182 CG GLU A 11 -9.665 1.043 -8.767 1.00 0.00 C ATOM 183 CD GLU A 11 -10.906 1.899 -8.563 1.00 0.00 C ATOM 184 OE1 GLU A 11 -11.387 2.451 -9.577 1.00 0.00 O ATOM 185 OE2 GLU A 11 -11.352 1.985 -7.399 1.00 0.00 O ATOM 0 H GLU A 11 -9.168 -1.720 -9.135 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.574 -0.414 -9.747 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.647 0.074 -10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.906 1.185 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.637 0.252 -8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.772 1.650 -8.622 1.00 0.00 H new ATOM 193 N GLY A 12 -10.040 -1.839 -12.301 1.00 0.00 N ATOM 194 CA GLY A 12 -10.219 -2.257 -13.677 1.00 0.00 C ATOM 195 C GLY A 12 -11.286 -3.339 -13.765 1.00 0.00 C ATOM 196 O GLY A 12 -12.268 -3.192 -14.488 1.00 0.00 O ATOM 0 H GLY A 12 -9.171 -2.160 -11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.506 -1.402 -14.290 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.277 -2.632 -14.076 1.00 0.00 H new ATOM 200 N THR A 13 -11.090 -4.431 -13.023 1.00 0.00 N ATOM 201 CA THR A 13 -12.035 -5.530 -13.021 1.00 0.00 C ATOM 202 C THR A 13 -13.410 -5.031 -12.601 1.00 0.00 C ATOM 203 O THR A 13 -14.426 -5.625 -12.956 1.00 0.00 O ATOM 204 CB THR A 13 -11.543 -6.621 -12.074 1.00 0.00 C ATOM 205 OG1 THR A 13 -10.366 -7.198 -12.593 1.00 0.00 O ATOM 206 CG2 THR A 13 -12.618 -7.695 -11.933 1.00 0.00 C ATOM 0 H THR A 13 -10.281 -4.570 -12.417 1.00 0.00 H new ATOM 0 HA THR A 13 -12.114 -5.946 -14.025 1.00 0.00 H new ATOM 0 HB THR A 13 -11.334 -6.187 -11.096 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.597 -6.909 -12.058 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.267 -8.474 -11.257 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.528 -7.249 -11.531 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.828 -8.130 -12.910 1.00 0.00 H new ATOM 214 N ALA A 14 -13.439 -3.934 -11.840 1.00 0.00 N ATOM 215 CA ALA A 14 -14.685 -3.360 -11.374 1.00 0.00 C ATOM 216 C ALA A 14 -15.452 -2.769 -12.549 1.00 0.00 C ATOM 217 O ALA A 14 -16.549 -3.222 -12.868 1.00 0.00 O ATOM 218 CB ALA A 14 -14.391 -2.290 -10.327 1.00 0.00 C ATOM 0 H ALA A 14 -12.605 -3.430 -11.537 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.300 -4.136 -10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.328 -1.857 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.861 -2.739 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.774 -1.508 -10.769 1.00 0.00 H new ATOM 224 N VAL A 15 -14.871 -1.754 -13.193 1.00 0.00 N ATOM 225 CA VAL A 15 -15.500 -1.107 -14.327 1.00 0.00 C ATOM 226 C VAL A 15 -15.537 -2.064 -15.510 1.00 0.00 C ATOM 227 O VAL A 15 -16.340 -1.892 -16.424 1.00 0.00 O ATOM 228 CB VAL A 15 -14.728 0.161 -14.680 1.00 0.00 C ATOM 229 CG1 VAL A 15 -15.618 1.083 -15.509 1.00 0.00 C ATOM 230 CG2 VAL A 15 -14.310 0.875 -13.398 1.00 0.00 C ATOM 0 H VAL A 15 -13.962 -1.367 -12.940 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.524 -0.834 -14.074 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.840 -0.102 -15.255 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.068 1.989 -15.762 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.917 0.573 -16.425 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.505 1.346 -14.933 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.758 1.781 -13.649 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.197 1.138 -12.822 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.675 0.216 -12.805 1.00 0.00 H new ATOM 240 N ILE A 16 -14.664 -3.074 -15.491 1.00 0.00 N ATOM 241 CA ILE A 16 -14.601 -4.053 -16.558 1.00 0.00 C ATOM 242 C ILE A 16 -15.752 -5.039 -16.420 1.00 0.00 C ATOM 243 O ILE A 16 -16.626 -5.099 -17.283 1.00 0.00 O ATOM 244 CB ILE A 16 -13.258 -4.776 -16.505 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.168 -3.868 -17.065 1.00 0.00 C ATOM 246 CG2 ILE A 16 -13.335 -6.052 -17.339 1.00 0.00 C ATOM 247 CD1 ILE A 16 -10.803 -4.359 -16.590 1.00 0.00 C ATOM 0 H ILE A 16 -13.991 -3.228 -14.740 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.691 -3.553 -17.523 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.023 -5.030 -15.471 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.206 -3.865 -18.154 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.331 -2.841 -16.737 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.376 -6.569 -17.302 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.114 -6.702 -16.939 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.570 -5.798 -18.372 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.024 -3.710 -16.990 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.768 -4.339 -15.501 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.641 -5.379 -16.940 1.00 0.00 H new ATOM 259 N ALA A 17 -15.752 -5.813 -15.333 1.00 0.00 N ATOM 260 CA ALA A 17 -16.793 -6.791 -15.089 1.00 0.00 C ATOM 261 C ALA A 17 -18.159 -6.133 -15.226 1.00 0.00 C ATOM 262 O ALA A 17 -19.121 -6.775 -15.642 1.00 0.00 O ATOM 263 CB ALA A 17 -16.615 -7.385 -13.695 1.00 0.00 C ATOM 0 H ALA A 17 -15.035 -5.774 -14.609 1.00 0.00 H new ATOM 0 HA ALA A 17 -16.723 -7.594 -15.822 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -17.398 -8.121 -13.510 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.640 -7.867 -13.627 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.680 -6.592 -12.950 1.00 0.00 H new ATOM 269 N MET A 18 -18.243 -4.849 -14.872 1.00 0.00 N ATOM 270 CA MET A 18 -19.490 -4.115 -14.955 1.00 0.00 C ATOM 271 C MET A 18 -19.917 -3.983 -16.410 1.00 0.00 C ATOM 272 O MET A 18 -20.988 -4.449 -16.791 1.00 0.00 O ATOM 273 CB MET A 18 -19.313 -2.740 -14.317 1.00 0.00 C ATOM 274 CG MET A 18 -19.667 -2.817 -12.835 1.00 0.00 C ATOM 275 SD MET A 18 -19.962 -1.206 -12.065 1.00 0.00 S ATOM 276 CE MET A 18 -20.881 -0.408 -13.405 1.00 0.00 C ATOM 0 H MET A 18 -17.455 -4.302 -14.525 1.00 0.00 H new ATOM 0 HA MET A 18 -20.269 -4.654 -14.417 1.00 0.00 H new ATOM 0 HB2 MET A 18 -18.284 -2.401 -14.439 1.00 0.00 H new ATOM 0 HB3 MET A 18 -19.951 -2.011 -14.817 1.00 0.00 H new ATOM 0 HG2 MET A 18 -20.558 -3.434 -12.716 1.00 0.00 H new ATOM 0 HG3 MET A 18 -18.858 -3.319 -12.304 1.00 0.00 H new ATOM 0 HE1 MET A 18 -21.419 0.455 -13.013 1.00 0.00 H new ATOM 0 HE2 MET A 18 -20.186 -0.082 -14.179 1.00 0.00 H new ATOM 0 HE3 MET A 18 -21.592 -1.116 -13.830 1.00 0.00 H new ATOM 656 N THR B 103 -8.795 -4.753 5.653 1.00 0.00 N ATOM 657 CA THR B 103 -9.110 -4.716 4.239 1.00 0.00 C ATOM 658 C THR B 103 -10.236 -3.725 3.985 1.00 0.00 C ATOM 659 O THR B 103 -10.248 -3.040 2.964 1.00 0.00 O ATOM 660 CB THR B 103 -9.504 -6.114 3.770 1.00 0.00 C ATOM 661 OG1 THR B 103 -9.846 -6.071 2.402 1.00 0.00 O ATOM 662 CG2 THR B 103 -10.703 -6.603 4.578 1.00 0.00 C ATOM 0 HA THR B 103 -8.235 -4.391 3.677 1.00 0.00 H new ATOM 0 HB THR B 103 -8.666 -6.796 3.915 1.00 0.00 H new ATOM 0 HG1 THR B 103 -10.821 -6.051 2.309 1.00 0.00 H new ATOM 0 HG21 THR B 103 -10.985 -7.601 4.243 1.00 0.00 H new ATOM 0 HG22 THR B 103 -10.440 -6.635 5.635 1.00 0.00 H new ATOM 0 HG23 THR B 103 -11.542 -5.922 4.433 1.00 0.00 H new ATOM 670 N ASN B 104 -11.187 -3.649 4.919 1.00 0.00 N ATOM 671 CA ASN B 104 -12.311 -2.743 4.793 1.00 0.00 C ATOM 672 C ASN B 104 -11.832 -1.389 4.289 1.00 0.00 C ATOM 673 O ASN B 104 -12.371 -0.856 3.322 1.00 0.00 O ATOM 674 CB ASN B 104 -13.002 -2.602 6.146 1.00 0.00 C ATOM 675 CG ASN B 104 -13.735 -1.272 6.246 1.00 0.00 C ATOM 676 OD1 ASN B 104 -14.757 -1.074 5.593 1.00 0.00 O ATOM 677 ND2 ASN B 104 -13.211 -0.360 7.067 1.00 0.00 N ATOM 0 H ASN B 104 -11.193 -4.210 5.771 1.00 0.00 H new ATOM 0 HA ASN B 104 -13.025 -3.143 4.073 1.00 0.00 H new ATOM 0 HB2 ASN B 104 -13.707 -3.422 6.286 1.00 0.00 H new ATOM 0 HB3 ASN B 104 -12.264 -2.676 6.945 1.00 0.00 H new ATOM 0 HD21 ASN B 104 -13.661 0.549 7.174 1.00 0.00 H new ATOM 0 HD22 ASN B 104 -12.360 -0.572 7.588 1.00 0.00 H new ATOM 684 N LEU B 105 -10.813 -0.833 4.950 1.00 0.00 N ATOM 685 CA LEU B 105 -10.265 0.453 4.569 1.00 0.00 C ATOM 686 C LEU B 105 -10.133 0.530 3.054 1.00 0.00 C ATOM 687 O LEU B 105 -10.551 1.509 2.440 1.00 0.00 O ATOM 688 CB LEU B 105 -8.909 0.647 5.240 1.00 0.00 C ATOM 689 CG LEU B 105 -9.108 1.275 6.616 1.00 0.00 C ATOM 690 CD1 LEU B 105 -7.751 1.475 7.286 1.00 0.00 C ATOM 691 CD2 LEU B 105 -9.804 2.624 6.464 1.00 0.00 C ATOM 0 H LEU B 105 -10.355 -1.263 5.754 1.00 0.00 H new ATOM 0 HA LEU B 105 -10.935 1.248 4.896 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -8.398 -0.311 5.336 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -8.275 1.286 4.625 1.00 0.00 H new ATOM 0 HG LEU B 105 -9.722 0.616 7.230 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -7.893 1.924 8.269 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -7.254 0.511 7.395 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -7.136 2.133 6.672 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -9.946 3.073 7.447 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -9.190 3.283 5.850 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -10.773 2.481 5.986 1.00 0.00 H new ATOM 703 N GLU B 106 -9.548 -0.508 2.452 1.00 0.00 N ATOM 704 CA GLU B 106 -9.366 -0.552 1.015 1.00 0.00 C ATOM 705 C GLU B 106 -10.720 -0.591 0.321 1.00 0.00 C ATOM 706 O GLU B 106 -10.870 -0.076 -0.785 1.00 0.00 O ATOM 707 CB GLU B 106 -8.534 -1.777 0.646 1.00 0.00 C ATOM 708 CG GLU B 106 -7.106 -1.594 1.154 1.00 0.00 C ATOM 709 CD GLU B 106 -7.097 -1.240 2.634 1.00 0.00 C ATOM 710 OE1 GLU B 106 -6.710 -0.092 2.941 1.00 0.00 O ATOM 711 OE2 GLU B 106 -7.478 -2.124 3.431 1.00 0.00 O ATOM 0 H GLU B 106 -9.194 -1.327 2.946 1.00 0.00 H new ATOM 0 HA GLU B 106 -8.839 0.343 0.685 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -8.974 -2.674 1.082 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -8.532 -1.916 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -6.538 -2.510 0.992 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -6.611 -0.807 0.585 1.00 0.00 H new ATOM 719 N ILE B 107 -11.709 -1.206 0.975 1.00 0.00 N ATOM 720 CA ILE B 107 -13.045 -1.309 0.423 1.00 0.00 C ATOM 721 C ILE B 107 -13.662 0.077 0.306 1.00 0.00 C ATOM 722 O ILE B 107 -14.479 0.322 -0.579 1.00 0.00 O ATOM 723 CB ILE B 107 -13.895 -2.207 1.317 1.00 0.00 C ATOM 724 CG1 ILE B 107 -13.126 -3.486 1.635 1.00 0.00 C ATOM 725 CG2 ILE B 107 -15.193 -2.560 0.596 1.00 0.00 C ATOM 726 CD1 ILE B 107 -14.092 -4.544 2.160 1.00 0.00 C ATOM 0 H ILE B 107 -11.600 -1.639 1.892 1.00 0.00 H new ATOM 0 HA ILE B 107 -12.999 -1.749 -0.573 1.00 0.00 H new ATOM 0 HB ILE B 107 -14.125 -1.682 2.244 1.00 0.00 H new ATOM 0 HG12 ILE B 107 -12.621 -3.851 0.741 1.00 0.00 H new ATOM 0 HG13 ILE B 107 -12.354 -3.284 2.377 1.00 0.00 H new ATOM 0 HG21 ILE B 107 -15.801 -3.202 1.234 1.00 0.00 H new ATOM 0 HG22 ILE B 107 -15.744 -1.647 0.370 1.00 0.00 H new ATOM 0 HG23 ILE B 107 -14.963 -3.084 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE B 107 -13.543 -5.458 2.387 1.00 0.00 H new ATOM 0 HD12 ILE B 107 -14.576 -4.177 3.065 1.00 0.00 H new ATOM 0 HD13 ILE B 107 -14.848 -4.754 1.403 1.00 0.00 H new ATOM 738 N ILE B 108 -13.269 0.986 1.202 1.00 0.00 N ATOM 739 CA ILE B 108 -13.782 2.341 1.195 1.00 0.00 C ATOM 740 C ILE B 108 -13.114 3.139 0.084 1.00 0.00 C ATOM 741 O ILE B 108 -13.775 3.899 -0.620 1.00 0.00 O ATOM 742 CB ILE B 108 -13.529 2.987 2.554 1.00 0.00 C ATOM 743 CG1 ILE B 108 -14.324 2.247 3.626 1.00 0.00 C ATOM 744 CG2 ILE B 108 -13.970 4.448 2.512 1.00 0.00 C ATOM 745 CD1 ILE B 108 -13.763 2.591 5.003 1.00 0.00 C ATOM 0 H ILE B 108 -12.593 0.798 1.942 1.00 0.00 H new ATOM 0 HA ILE B 108 -14.856 2.327 1.009 1.00 0.00 H new ATOM 0 HB ILE B 108 -12.466 2.934 2.789 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -15.376 2.525 3.570 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -14.269 1.172 3.457 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -13.790 4.911 3.482 1.00 0.00 H new ATOM 0 HG22 ILE B 108 -13.403 4.977 1.747 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -15.033 4.501 2.277 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -14.330 2.063 5.769 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -12.716 2.291 5.055 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -13.841 3.665 5.170 1.00 0.00 H new ATOM 757 N ILE B 109 -11.799 2.963 -0.072 1.00 0.00 N ATOM 758 CA ILE B 109 -11.049 3.664 -1.095 1.00 0.00 C ATOM 759 C ILE B 109 -11.301 3.020 -2.451 1.00 0.00 C ATOM 760 O ILE B 109 -11.152 3.667 -3.485 1.00 0.00 O ATOM 761 CB ILE B 109 -9.563 3.630 -0.747 1.00 0.00 C ATOM 762 CG1 ILE B 109 -9.315 4.462 0.507 1.00 0.00 C ATOM 763 CG2 ILE B 109 -8.757 4.206 -1.908 1.00 0.00 C ATOM 764 CD1 ILE B 109 -7.878 4.256 0.978 1.00 0.00 C ATOM 0 H ILE B 109 -11.238 2.336 0.505 1.00 0.00 H new ATOM 0 HA ILE B 109 -11.374 4.703 -1.143 1.00 0.00 H new ATOM 0 HB ILE B 109 -9.255 2.600 -0.566 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -9.493 5.517 0.298 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -10.012 4.171 1.293 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -7.696 4.182 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -8.934 3.612 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -9.065 5.236 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -7.700 4.850 1.874 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -7.717 3.202 1.204 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -7.189 4.568 0.193 1.00 0.00 H new ATOM 776 N LEU B 110 -11.686 1.741 -2.444 1.00 0.00 N ATOM 777 CA LEU B 110 -11.957 1.017 -3.670 1.00 0.00 C ATOM 778 C LEU B 110 -13.395 1.260 -4.106 1.00 0.00 C ATOM 779 O LEU B 110 -13.652 1.557 -5.271 1.00 0.00 O ATOM 780 CB LEU B 110 -11.703 -0.471 -3.449 1.00 0.00 C ATOM 781 CG LEU B 110 -10.202 -0.741 -3.476 1.00 0.00 C ATOM 782 CD1 LEU B 110 -9.955 -2.247 -3.492 1.00 0.00 C ATOM 783 CD2 LEU B 110 -9.595 -0.112 -4.727 1.00 0.00 C ATOM 0 H LEU B 110 -11.815 1.191 -1.595 1.00 0.00 H new ATOM 0 HA LEU B 110 -11.294 1.371 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -12.122 -0.784 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -12.202 -1.055 -4.222 1.00 0.00 H new ATOM 0 HG LEU B 110 -9.739 -0.307 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -8.882 -2.440 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -10.388 -2.696 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -10.418 -2.682 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -8.522 -0.304 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -10.058 -0.545 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -9.770 0.964 -4.715 1.00 0.00 H new ATOM 795 N GLU B 111 -14.334 1.133 -3.166 1.00 0.00 N ATOM 796 CA GLU B 111 -15.738 1.341 -3.458 1.00 0.00 C ATOM 797 C GLU B 111 -15.956 2.752 -3.987 1.00 0.00 C ATOM 798 O GLU B 111 -16.705 2.954 -4.940 1.00 0.00 O ATOM 799 CB GLU B 111 -16.560 1.104 -2.194 1.00 0.00 C ATOM 800 CG GLU B 111 -16.650 -0.394 -1.919 1.00 0.00 C ATOM 801 CD GLU B 111 -17.632 -1.063 -2.870 1.00 0.00 C ATOM 802 OE1 GLU B 111 -18.584 -0.366 -3.285 1.00 0.00 O ATOM 803 OE2 GLU B 111 -17.413 -2.257 -3.165 1.00 0.00 O ATOM 0 H GLU B 111 -14.138 0.886 -2.196 1.00 0.00 H new ATOM 0 HA GLU B 111 -16.060 0.636 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -16.100 1.613 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -17.559 1.523 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -15.665 -0.848 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -16.965 -0.560 -0.889 1.00 0.00 H new ATOM 811 N GLY B 112 -15.296 3.731 -3.364 1.00 0.00 N ATOM 812 CA GLY B 112 -15.421 5.114 -3.776 1.00 0.00 C ATOM 813 C GLY B 112 -14.689 5.342 -5.091 1.00 0.00 C ATOM 814 O GLY B 112 -15.280 5.802 -6.065 1.00 0.00 O ATOM 0 H GLY B 112 -14.671 3.582 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -16.474 5.373 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -15.012 5.768 -3.006 1.00 0.00 H new ATOM 818 N THR B 113 -13.394 5.016 -5.117 1.00 0.00 N ATOM 819 CA THR B 113 -12.591 5.186 -6.311 1.00 0.00 C ATOM 820 C THR B 113 -13.199 4.398 -7.462 1.00 0.00 C ATOM 821 O THR B 113 -12.995 4.735 -8.626 1.00 0.00 O ATOM 822 CB THR B 113 -11.164 4.721 -6.033 1.00 0.00 C ATOM 823 OG1 THR B 113 -10.560 5.591 -5.101 1.00 0.00 O ATOM 824 CG2 THR B 113 -10.363 4.731 -7.331 1.00 0.00 C ATOM 0 H THR B 113 -12.887 4.633 -4.319 1.00 0.00 H new ATOM 0 HA THR B 113 -12.570 6.239 -6.591 1.00 0.00 H new ATOM 0 HB THR B 113 -11.184 3.710 -5.627 1.00 0.00 H new ATOM 0 HG1 THR B 113 -10.704 5.250 -4.194 1.00 0.00 H new ATOM 0 HG21 THR B 113 -9.344 4.399 -7.132 1.00 0.00 H new ATOM 0 HG22 THR B 113 -10.830 4.059 -8.052 1.00 0.00 H new ATOM 0 HG23 THR B 113 -10.342 5.742 -7.738 1.00 0.00 H new ATOM 832 N ALA B 114 -13.950 3.345 -7.132 1.00 0.00 N ATOM 833 CA ALA B 114 -14.584 2.513 -8.136 1.00 0.00 C ATOM 834 C ALA B 114 -15.689 3.296 -8.830 1.00 0.00 C ATOM 835 O ALA B 114 -15.618 3.541 -10.032 1.00 0.00 O ATOM 836 CB ALA B 114 -15.144 1.257 -7.475 1.00 0.00 C ATOM 0 H ALA B 114 -14.130 3.054 -6.171 1.00 0.00 H new ATOM 0 HA ALA B 114 -13.850 2.216 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -15.621 0.631 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -14.333 0.702 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -15.878 1.539 -6.721 1.00 0.00 H new ATOM 842 N VAL B 115 -16.713 3.689 -8.069 1.00 0.00 N ATOM 843 CA VAL B 115 -17.826 4.440 -8.612 1.00 0.00 C ATOM 844 C VAL B 115 -17.362 5.834 -9.010 1.00 0.00 C ATOM 845 O VAL B 115 -18.001 6.494 -9.826 1.00 0.00 O ATOM 846 CB VAL B 115 -18.942 4.517 -7.574 1.00 0.00 C ATOM 847 CG1 VAL B 115 -20.259 4.855 -8.267 1.00 0.00 C ATOM 848 CG2 VAL B 115 -19.070 3.172 -6.865 1.00 0.00 C ATOM 0 H VAL B 115 -16.786 3.494 -7.071 1.00 0.00 H new ATOM 0 HA VAL B 115 -18.209 3.939 -9.501 1.00 0.00 H new ATOM 0 HB VAL B 115 -18.707 5.292 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL B 115 -21.056 4.910 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL B 115 -20.167 5.816 -8.774 1.00 0.00 H new ATOM 0 HG13 VAL B 115 -20.495 4.081 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL B 115 -19.867 3.226 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL B 115 -19.305 2.397 -7.595 1.00 0.00 H new ATOM 0 HG23 VAL B 115 -18.129 2.931 -6.370 1.00 0.00 H new ATOM 858 N ILE B 116 -16.245 6.281 -8.431 1.00 0.00 N ATOM 859 CA ILE B 116 -15.699 7.590 -8.727 1.00 0.00 C ATOM 860 C ILE B 116 -14.997 7.562 -10.078 1.00 0.00 C ATOM 861 O ILE B 116 -15.424 8.233 -11.015 1.00 0.00 O ATOM 862 CB ILE B 116 -14.729 7.998 -7.621 1.00 0.00 C ATOM 863 CG1 ILE B 116 -15.516 8.436 -6.390 1.00 0.00 C ATOM 864 CG2 ILE B 116 -13.861 9.155 -8.108 1.00 0.00 C ATOM 865 CD1 ILE B 116 -14.612 8.382 -5.162 1.00 0.00 C ATOM 0 H ILE B 116 -15.705 5.745 -7.752 1.00 0.00 H new ATOM 0 HA ILE B 116 -16.505 8.323 -8.774 1.00 0.00 H new ATOM 0 HB ILE B 116 -14.094 7.150 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -15.897 9.448 -6.530 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -16.380 7.787 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -13.168 9.447 -7.319 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -13.298 8.843 -8.988 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -14.496 10.003 -8.366 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -15.174 8.695 -4.282 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -14.253 7.363 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -13.762 9.050 -5.306 1.00 0.00 H new ATOM 877 N ALA B 117 -13.918 6.782 -10.176 1.00 0.00 N ATOM 878 CA ALA B 117 -13.164 6.672 -11.409 1.00 0.00 C ATOM 879 C ALA B 117 -14.106 6.357 -12.562 1.00 0.00 C ATOM 880 O ALA B 117 -13.867 6.773 -13.694 1.00 0.00 O ATOM 881 CB ALA B 117 -12.106 5.582 -11.261 1.00 0.00 C ATOM 0 H ALA B 117 -13.552 6.219 -9.408 1.00 0.00 H new ATOM 0 HA ALA B 117 -12.665 7.618 -11.622 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -11.538 5.498 -12.188 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -11.432 5.838 -10.444 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -12.592 4.630 -11.046 1.00 0.00 H new ATOM 887 N MET B 118 -15.180 5.619 -12.273 1.00 0.00 N ATOM 888 CA MET B 118 -16.148 5.251 -13.287 1.00 0.00 C ATOM 889 C MET B 118 -16.855 6.496 -13.803 1.00 0.00 C ATOM 890 O MET B 118 -16.796 6.802 -14.992 1.00 0.00 O ATOM 891 CB MET B 118 -17.152 4.266 -12.696 1.00 0.00 C ATOM 892 CG MET B 118 -16.654 2.840 -12.913 1.00 0.00 C ATOM 893 SD MET B 118 -17.933 1.575 -12.706 1.00 0.00 S ATOM 894 CE MET B 118 -19.313 2.423 -13.513 1.00 0.00 C ATOM 0 H MET B 118 -15.394 5.268 -11.340 1.00 0.00 H new ATOM 0 HA MET B 118 -15.639 4.774 -14.124 1.00 0.00 H new ATOM 0 HB2 MET B 118 -17.283 4.459 -11.631 1.00 0.00 H new ATOM 0 HB3 MET B 118 -18.127 4.398 -13.166 1.00 0.00 H new ATOM 0 HG2 MET B 118 -16.237 2.760 -13.917 1.00 0.00 H new ATOM 0 HG3 MET B 118 -15.842 2.639 -12.214 1.00 0.00 H new ATOM 0 HE1 MET B 118 -20.149 1.733 -13.625 1.00 0.00 H new ATOM 0 HE2 MET B 118 -19.623 3.273 -12.905 1.00 0.00 H new ATOM 0 HE3 MET B 118 -18.999 2.775 -14.496 1.00 0.00 H new ATOM 1274 N THR C 203 -6.215 -11.963 -1.275 1.00 0.00 N ATOM 1275 CA THR C 203 -6.802 -10.706 -1.695 1.00 0.00 C ATOM 1276 C THR C 203 -8.039 -10.968 -2.542 1.00 0.00 C ATOM 1277 O THR C 203 -9.016 -10.227 -2.468 1.00 0.00 O ATOM 1278 CB THR C 203 -5.770 -9.902 -2.481 1.00 0.00 C ATOM 1279 OG1 THR C 203 -6.350 -8.695 -2.920 1.00 0.00 O ATOM 1280 CG2 THR C 203 -5.305 -10.712 -3.688 1.00 0.00 C ATOM 0 HA THR C 203 -7.103 -10.132 -0.819 1.00 0.00 H new ATOM 0 HB THR C 203 -4.916 -9.683 -1.840 1.00 0.00 H new ATOM 0 HG1 THR C 203 -6.612 -8.781 -3.860 1.00 0.00 H new ATOM 0 HG21 THR C 203 -4.568 -10.138 -4.249 1.00 0.00 H new ATOM 0 HG22 THR C 203 -4.856 -11.645 -3.349 1.00 0.00 H new ATOM 0 HG23 THR C 203 -6.159 -10.932 -4.329 1.00 0.00 H new ATOM 1288 N ASN C 204 -7.994 -12.030 -3.350 1.00 0.00 N ATOM 1289 CA ASN C 204 -9.109 -12.386 -4.205 1.00 0.00 C ATOM 1290 C ASN C 204 -10.416 -12.248 -3.438 1.00 0.00 C ATOM 1291 O ASN C 204 -11.350 -11.601 -3.907 1.00 0.00 O ATOM 1292 CB ASN C 204 -8.926 -13.815 -4.708 1.00 0.00 C ATOM 1293 CG ASN C 204 -10.268 -14.445 -5.055 1.00 0.00 C ATOM 1294 OD1 ASN C 204 -10.893 -14.071 -6.045 1.00 0.00 O ATOM 1295 ND2 ASN C 204 -10.709 -15.403 -4.237 1.00 0.00 N ATOM 0 H ASN C 204 -7.191 -12.655 -3.424 1.00 0.00 H new ATOM 0 HA ASN C 204 -9.143 -11.713 -5.062 1.00 0.00 H new ATOM 0 HB2 ASN C 204 -8.281 -13.816 -5.587 1.00 0.00 H new ATOM 0 HB3 ASN C 204 -8.426 -14.412 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN C 204 -11.602 -15.860 -4.421 1.00 0.00 H new ATOM 0 HD22 ASN C 204 -10.153 -15.678 -3.427 1.00 0.00 H new ATOM 1302 N LEU C 205 -10.480 -12.858 -2.252 1.00 0.00 N ATOM 1303 CA LEU C 205 -11.668 -12.802 -1.425 1.00 0.00 C ATOM 1304 C LEU C 205 -12.227 -11.386 -1.420 1.00 0.00 C ATOM 1305 O LEU C 205 -13.422 -11.186 -1.625 1.00 0.00 O ATOM 1306 CB LEU C 205 -11.323 -13.251 -0.008 1.00 0.00 C ATOM 1307 CG LEU C 205 -11.470 -14.767 0.094 1.00 0.00 C ATOM 1308 CD1 LEU C 205 -11.131 -15.216 1.513 1.00 0.00 C ATOM 1309 CD2 LEU C 205 -12.907 -15.161 -0.235 1.00 0.00 C ATOM 0 H LEU C 205 -9.714 -13.397 -1.849 1.00 0.00 H new ATOM 0 HA LEU C 205 -12.428 -13.471 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU C 205 -10.304 -12.956 0.241 1.00 0.00 H new ATOM 0 HB3 LEU C 205 -11.981 -12.762 0.711 1.00 0.00 H new ATOM 0 HG LEU C 205 -10.791 -15.247 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU C 205 -11.236 -16.298 1.587 1.00 0.00 H new ATOM 0 HD12 LEU C 205 -10.105 -14.934 1.749 1.00 0.00 H new ATOM 0 HD13 LEU C 205 -11.810 -14.737 2.218 1.00 0.00 H new ATOM 0 HD21 LEU C 205 -13.013 -16.243 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU C 205 -13.586 -14.682 0.470 1.00 0.00 H new ATOM 0 HD23 LEU C 205 -13.150 -14.840 -1.248 1.00 0.00 H new ATOM 1321 N GLU C 206 -11.357 -10.400 -1.185 1.00 0.00 N ATOM 1322 CA GLU C 206 -11.768 -9.011 -1.156 1.00 0.00 C ATOM 1323 C GLU C 206 -12.260 -8.586 -2.533 1.00 0.00 C ATOM 1324 O GLU C 206 -13.141 -7.737 -2.646 1.00 0.00 O ATOM 1325 CB GLU C 206 -10.594 -8.144 -0.710 1.00 0.00 C ATOM 1326 CG GLU C 206 -10.281 -8.427 0.757 1.00 0.00 C ATOM 1327 CD GLU C 206 -10.094 -9.919 0.994 1.00 0.00 C ATOM 1328 OE1 GLU C 206 -10.955 -10.494 1.694 1.00 0.00 O ATOM 1329 OE2 GLU C 206 -9.094 -10.455 0.471 1.00 0.00 O ATOM 0 H GLU C 206 -10.363 -10.548 -1.013 1.00 0.00 H new ATOM 0 HA GLU C 206 -12.587 -8.886 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU C 206 -9.719 -8.352 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU C 206 -10.835 -7.090 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU C 206 -9.378 -7.892 1.050 1.00 0.00 H new ATOM 0 HG3 GLU C 206 -11.090 -8.054 1.384 1.00 0.00 H new ATOM 1337 N ILE C 207 -11.686 -9.182 -3.581 1.00 0.00 N ATOM 1338 CA ILE C 207 -12.067 -8.868 -4.944 1.00 0.00 C ATOM 1339 C ILE C 207 -13.508 -9.293 -5.187 1.00 0.00 C ATOM 1340 O ILE C 207 -14.209 -8.683 -5.991 1.00 0.00 O ATOM 1341 CB ILE C 207 -11.123 -9.576 -5.911 1.00 0.00 C ATOM 1342 CG1 ILE C 207 -9.679 -9.344 -5.475 1.00 0.00 C ATOM 1343 CG2 ILE C 207 -11.325 -9.019 -7.317 1.00 0.00 C ATOM 1344 CD1 ILE C 207 -8.739 -9.678 -6.630 1.00 0.00 C ATOM 0 H ILE C 207 -10.953 -9.887 -3.502 1.00 0.00 H new ATOM 0 HA ILE C 207 -11.994 -7.793 -5.108 1.00 0.00 H new ATOM 0 HB ILE C 207 -11.336 -10.645 -5.909 1.00 0.00 H new ATOM 0 HG12 ILE C 207 -9.542 -8.307 -5.169 1.00 0.00 H new ATOM 0 HG13 ILE C 207 -9.445 -9.965 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE C 207 -10.651 -9.524 -8.009 1.00 0.00 H new ATOM 0 HG22 ILE C 207 -12.356 -9.184 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE C 207 -11.112 -7.950 -7.319 1.00 0.00 H new ATOM 0 HD11 ILE C 207 -7.707 -9.512 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE C 207 -8.869 -10.722 -6.915 1.00 0.00 H new ATOM 0 HD13 ILE C 207 -8.968 -9.038 -7.482 1.00 0.00 H new ATOM 1356 N ILE C 208 -13.949 -10.342 -4.489 1.00 0.00 N ATOM 1357 CA ILE C 208 -15.302 -10.842 -4.630 1.00 0.00 C ATOM 1358 C ILE C 208 -16.268 -9.932 -3.884 1.00 0.00 C ATOM 1359 O ILE C 208 -17.346 -9.623 -4.387 1.00 0.00 O ATOM 1360 CB ILE C 208 -15.375 -12.268 -4.091 1.00 0.00 C ATOM 1361 CG1 ILE C 208 -14.503 -13.181 -4.946 1.00 0.00 C ATOM 1362 CG2 ILE C 208 -16.821 -12.755 -4.137 1.00 0.00 C ATOM 1363 CD1 ILE C 208 -14.226 -14.477 -4.188 1.00 0.00 C ATOM 0 H ILE C 208 -13.379 -10.858 -3.819 1.00 0.00 H new ATOM 0 HA ILE C 208 -15.583 -10.851 -5.683 1.00 0.00 H new ATOM 0 HB ILE C 208 -15.018 -12.286 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE C 208 -15.002 -13.399 -5.890 1.00 0.00 H new ATOM 0 HG13 ILE C 208 -13.565 -12.682 -5.190 1.00 0.00 H new ATOM 0 HG21 ILE C 208 -16.874 -13.773 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE C 208 -17.444 -12.103 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE C 208 -17.178 -12.737 -5.167 1.00 0.00 H new ATOM 0 HD11 ILE C 208 -13.603 -15.130 -4.799 1.00 0.00 H new ATOM 0 HD12 ILE C 208 -13.709 -14.250 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE C 208 -15.169 -14.978 -3.967 1.00 0.00 H new ATOM 1375 N ILE C 209 -15.879 -9.503 -2.681 1.00 0.00 N ATOM 1376 CA ILE C 209 -16.708 -8.631 -1.873 1.00 0.00 C ATOM 1377 C ILE C 209 -16.636 -7.208 -2.411 1.00 0.00 C ATOM 1378 O ILE C 209 -17.549 -6.415 -2.196 1.00 0.00 O ATOM 1379 CB ILE C 209 -16.239 -8.686 -0.422 1.00 0.00 C ATOM 1380 CG1 ILE C 209 -16.519 -10.072 0.151 1.00 0.00 C ATOM 1381 CG2 ILE C 209 -16.990 -7.637 0.394 1.00 0.00 C ATOM 1382 CD1 ILE C 209 -15.861 -10.197 1.523 1.00 0.00 C ATOM 0 H ILE C 209 -14.988 -9.752 -2.251 1.00 0.00 H new ATOM 0 HA ILE C 209 -17.745 -8.963 -1.918 1.00 0.00 H new ATOM 0 HB ILE C 209 -15.169 -8.484 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE C 209 -17.594 -10.232 0.235 1.00 0.00 H new ATOM 0 HG13 ILE C 209 -16.134 -10.840 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE C 209 -16.656 -7.675 1.431 1.00 0.00 H new ATOM 0 HG22 ILE C 209 -16.791 -6.647 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE C 209 -18.060 -7.839 0.350 1.00 0.00 H new ATOM 0 HD11 ILE C 209 -16.060 -11.187 1.933 1.00 0.00 H new ATOM 0 HD12 ILE C 209 -14.785 -10.055 1.425 1.00 0.00 H new ATOM 0 HD13 ILE C 209 -16.267 -9.438 2.192 1.00 0.00 H new ATOM 1394 N LEU C 210 -15.546 -6.888 -3.112 1.00 0.00 N ATOM 1395 CA LEU C 210 -15.361 -5.565 -3.676 1.00 0.00 C ATOM 1396 C LEU C 210 -16.041 -5.484 -5.036 1.00 0.00 C ATOM 1397 O LEU C 210 -16.762 -4.529 -5.316 1.00 0.00 O ATOM 1398 CB LEU C 210 -13.869 -5.270 -3.800 1.00 0.00 C ATOM 1399 CG LEU C 210 -13.309 -4.899 -2.430 1.00 0.00 C ATOM 1400 CD1 LEU C 210 -11.883 -4.378 -2.586 1.00 0.00 C ATOM 1401 CD2 LEU C 210 -14.181 -3.817 -1.800 1.00 0.00 C ATOM 0 H LEU C 210 -14.780 -7.535 -3.299 1.00 0.00 H new ATOM 0 HA LEU C 210 -15.813 -4.820 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU C 210 -13.347 -6.141 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU C 210 -13.706 -4.454 -4.505 1.00 0.00 H new ATOM 0 HG LEU C 210 -13.304 -5.781 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU C 210 -11.483 -4.113 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU C 210 -11.260 -5.152 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU C 210 -11.886 -3.497 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU C 210 -13.781 -3.552 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU C 210 -14.187 -2.935 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU C 210 -15.199 -4.190 -1.687 1.00 0.00 H new ATOM 1413 N GLU C 211 -15.808 -6.490 -5.882 1.00 0.00 N ATOM 1414 CA GLU C 211 -16.400 -6.526 -7.204 1.00 0.00 C ATOM 1415 C GLU C 211 -17.918 -6.501 -7.095 1.00 0.00 C ATOM 1416 O GLU C 211 -18.588 -5.801 -7.851 1.00 0.00 O ATOM 1417 CB GLU C 211 -15.931 -7.780 -7.936 1.00 0.00 C ATOM 1418 CG GLU C 211 -14.487 -7.593 -8.392 1.00 0.00 C ATOM 1419 CD GLU C 211 -14.414 -6.673 -9.602 1.00 0.00 C ATOM 1420 OE1 GLU C 211 -15.399 -6.669 -10.372 1.00 0.00 O ATOM 1421 OE2 GLU C 211 -13.375 -5.991 -9.734 1.00 0.00 O ATOM 0 H GLU C 211 -15.211 -7.288 -5.666 1.00 0.00 H new ATOM 0 HA GLU C 211 -16.084 -5.650 -7.770 1.00 0.00 H new ATOM 0 HB2 GLU C 211 -16.007 -8.647 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU C 211 -16.573 -7.974 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU C 211 -13.895 -7.176 -7.577 1.00 0.00 H new ATOM 0 HG3 GLU C 211 -14.051 -8.561 -8.639 1.00 0.00 H new ATOM 1429 N GLY C 212 -18.461 -7.269 -6.148 1.00 0.00 N ATOM 1430 CA GLY C 212 -19.894 -7.329 -5.946 1.00 0.00 C ATOM 1431 C GLY C 212 -20.392 -6.040 -5.306 1.00 0.00 C ATOM 1432 O GLY C 212 -21.272 -5.374 -5.846 1.00 0.00 O ATOM 0 H GLY C 212 -17.921 -7.856 -5.512 1.00 0.00 H new ATOM 0 HA2 GLY C 212 -20.396 -7.487 -6.900 1.00 0.00 H new ATOM 0 HA3 GLY C 212 -20.143 -8.179 -5.310 1.00 0.00 H new ATOM 1436 N THR C 213 -19.824 -5.691 -4.150 1.00 0.00 N ATOM 1437 CA THR C 213 -20.212 -4.485 -3.445 1.00 0.00 C ATOM 1438 C THR C 213 -20.013 -3.273 -4.344 1.00 0.00 C ATOM 1439 O THR C 213 -20.675 -2.251 -4.170 1.00 0.00 O ATOM 1440 CB THR C 213 -19.385 -4.354 -2.170 1.00 0.00 C ATOM 1441 OG1 THR C 213 -19.732 -5.388 -1.276 1.00 0.00 O ATOM 1442 CG2 THR C 213 -19.664 -3.003 -1.519 1.00 0.00 C ATOM 0 H THR C 213 -19.093 -6.233 -3.688 1.00 0.00 H new ATOM 0 HA THR C 213 -21.266 -4.541 -3.175 1.00 0.00 H new ATOM 0 HB THR C 213 -18.325 -4.427 -2.415 1.00 0.00 H new ATOM 0 HG1 THR C 213 -19.131 -6.151 -1.409 1.00 0.00 H new ATOM 0 HG21 THR C 213 -19.073 -2.909 -0.608 1.00 0.00 H new ATOM 0 HG22 THR C 213 -19.395 -2.204 -2.210 1.00 0.00 H new ATOM 0 HG23 THR C 213 -20.723 -2.929 -1.274 1.00 0.00 H new ATOM 1450 N ALA C 214 -19.098 -3.389 -5.308 1.00 0.00 N ATOM 1451 CA ALA C 214 -18.814 -2.306 -6.228 1.00 0.00 C ATOM 1452 C ALA C 214 -20.005 -2.089 -7.151 1.00 0.00 C ATOM 1453 O ALA C 214 -20.622 -1.026 -7.132 1.00 0.00 O ATOM 1454 CB ALA C 214 -17.560 -2.637 -7.031 1.00 0.00 C ATOM 0 H ALA C 214 -18.543 -4.230 -5.466 1.00 0.00 H new ATOM 0 HA ALA C 214 -18.639 -1.386 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA C 214 -17.346 -1.823 -7.723 1.00 0.00 H new ATOM 0 HB2 ALA C 214 -16.717 -2.767 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA C 214 -17.720 -3.558 -7.592 1.00 0.00 H new ATOM 1460 N VAL C 215 -20.326 -3.100 -7.961 1.00 0.00 N ATOM 1461 CA VAL C 215 -21.438 -3.016 -8.886 1.00 0.00 C ATOM 1462 C VAL C 215 -22.749 -2.989 -8.113 1.00 0.00 C ATOM 1463 O VAL C 215 -23.769 -2.540 -8.632 1.00 0.00 O ATOM 1464 CB VAL C 215 -21.396 -4.206 -9.840 1.00 0.00 C ATOM 1465 CG1 VAL C 215 -22.225 -3.892 -11.082 1.00 0.00 C ATOM 1466 CG2 VAL C 215 -19.952 -4.480 -10.248 1.00 0.00 C ATOM 0 H VAL C 215 -19.823 -3.987 -7.988 1.00 0.00 H new ATOM 0 HA VAL C 215 -21.364 -2.098 -9.469 1.00 0.00 H new ATOM 0 HB VAL C 215 -21.806 -5.085 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL C 215 -22.195 -4.742 -11.764 1.00 0.00 H new ATOM 0 HG12 VAL C 215 -23.257 -3.696 -10.791 1.00 0.00 H new ATOM 0 HG13 VAL C 215 -21.816 -3.013 -11.580 1.00 0.00 H new ATOM 0 HG21 VAL C 215 -19.922 -5.330 -10.930 1.00 0.00 H new ATOM 0 HG22 VAL C 215 -19.541 -3.601 -10.745 1.00 0.00 H new ATOM 0 HG23 VAL C 215 -19.360 -4.705 -9.361 1.00 0.00 H new ATOM 1476 N ILE C 216 -22.721 -3.473 -6.869 1.00 0.00 N ATOM 1477 CA ILE C 216 -23.903 -3.501 -6.031 1.00 0.00 C ATOM 1478 C ILE C 216 -24.185 -2.106 -5.492 1.00 0.00 C ATOM 1479 O ILE C 216 -25.211 -1.509 -5.815 1.00 0.00 O ATOM 1480 CB ILE C 216 -23.692 -4.491 -4.888 1.00 0.00 C ATOM 1481 CG1 ILE C 216 -23.846 -5.915 -5.414 1.00 0.00 C ATOM 1482 CG2 ILE C 216 -24.729 -4.236 -3.798 1.00 0.00 C ATOM 1483 CD1 ILE C 216 -23.186 -6.889 -4.442 1.00 0.00 C ATOM 0 H ILE C 216 -21.884 -3.851 -6.426 1.00 0.00 H new ATOM 0 HA ILE C 216 -24.763 -3.823 -6.618 1.00 0.00 H new ATOM 0 HB ILE C 216 -22.691 -4.363 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE C 216 -24.902 -6.159 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE C 216 -23.389 -6.002 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE C 216 -24.580 -4.942 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE C 216 -24.620 -3.219 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE C 216 -25.730 -4.365 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE C 216 -23.295 -7.907 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE C 216 -22.127 -6.648 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE C 216 -23.664 -6.808 -3.466 1.00 0.00 H new ATOM 1495 N ALA C 217 -23.272 -1.585 -4.668 1.00 0.00 N ATOM 1496 CA ALA C 217 -23.428 -0.266 -4.089 1.00 0.00 C ATOM 1497 C ALA C 217 -23.735 0.745 -5.185 1.00 0.00 C ATOM 1498 O ALA C 217 -24.450 1.717 -4.954 1.00 0.00 O ATOM 1499 CB ALA C 217 -22.153 0.115 -3.344 1.00 0.00 C ATOM 0 H ALA C 217 -22.416 -2.066 -4.391 1.00 0.00 H new ATOM 0 HA ALA C 217 -24.258 -0.270 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA C 217 -22.269 1.107 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA C 217 -21.964 -0.610 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA C 217 -21.313 0.120 -4.039 1.00 0.00 H new ATOM 1505 N MET C 218 -23.192 0.512 -6.383 1.00 0.00 N ATOM 1506 CA MET C 218 -23.409 1.403 -7.504 1.00 0.00 C ATOM 1507 C MET C 218 -24.877 1.382 -7.906 1.00 0.00 C ATOM 1508 O MET C 218 -25.549 2.411 -7.874 1.00 0.00 O ATOM 1509 CB MET C 218 -22.524 0.976 -8.671 1.00 0.00 C ATOM 1510 CG MET C 218 -21.185 1.703 -8.588 1.00 0.00 C ATOM 1511 SD MET C 218 -20.235 1.673 -10.128 1.00 0.00 S ATOM 1512 CE MET C 218 -21.585 1.928 -11.306 1.00 0.00 C ATOM 0 H MET C 218 -22.599 -0.291 -6.592 1.00 0.00 H new ATOM 0 HA MET C 218 -23.146 2.422 -7.218 1.00 0.00 H new ATOM 0 HB2 MET C 218 -22.366 -0.102 -8.646 1.00 0.00 H new ATOM 0 HB3 MET C 218 -23.016 1.204 -9.617 1.00 0.00 H new ATOM 0 HG2 MET C 218 -21.363 2.740 -8.303 1.00 0.00 H new ATOM 0 HG3 MET C 218 -20.587 1.253 -7.795 1.00 0.00 H new ATOM 0 HE1 MET C 218 -21.180 2.289 -12.251 1.00 0.00 H new ATOM 0 HE2 MET C 218 -22.107 0.985 -11.471 1.00 0.00 H new ATOM 0 HE3 MET C 218 -22.283 2.664 -10.906 1.00 0.00 H new