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 156:sc= -9.45! (180deg=-2.24!) USER MOD Set 1.2: B 118 MET CE :methyl 169:sc= -9.96! (180deg=-1.99!) USER MOD Set 1.3: C 218 MET CE :methyl 159:sc= -9.21! (180deg=-2.12!) USER MOD Single : A 3 THR OG1 : rot -100:sc= -0.478 USER MOD Single : A 4 ASN : amide:sc= -1.75! K(o=-1.7!,f=-0.61) USER MOD Single : A 13 THR OG1 : rot 104:sc= 1.2 USER MOD Single : B 103 THR OG1 : rot -90:sc= -0.912 USER MOD Single : B 104 ASN : amide:sc= -1.53! K(o=-1.5!,f=-0.42) USER MOD Single : B 113 THR OG1 : rot 94:sc= 1.19 USER MOD Single : C 203 THR OG1 : rot -90:sc= -0.921 USER MOD Single : C 204 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.55) USER MOD Single : C 213 THR OG1 : rot 109:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 3 -1.128 -3.583 -2.237 1.00 0.00 N ATOM 39 CA THR A 3 -2.565 -3.443 -2.354 1.00 0.00 C ATOM 40 C THR A 3 -2.924 -2.920 -3.738 1.00 0.00 C ATOM 41 O THR A 3 -3.888 -3.377 -4.348 1.00 0.00 O ATOM 42 CB THR A 3 -3.072 -2.495 -1.271 1.00 0.00 C ATOM 43 OG1 THR A 3 -4.479 -2.427 -1.328 1.00 0.00 O ATOM 44 CG2 THR A 3 -2.486 -1.105 -1.495 1.00 0.00 C ATOM 0 HA THR A 3 -3.040 -4.415 -2.221 1.00 0.00 H new ATOM 0 HB THR A 3 -2.765 -2.864 -0.292 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.748 -1.611 -1.800 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.848 -0.428 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.398 -1.157 -1.451 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.792 -0.734 -2.473 1.00 0.00 H new ATOM 52 N ASN A 4 -2.143 -1.957 -4.233 1.00 0.00 N ATOM 53 CA ASN A 4 -2.381 -1.378 -5.539 1.00 0.00 C ATOM 54 C ASN A 4 -2.722 -2.474 -6.539 1.00 0.00 C ATOM 55 O ASN A 4 -3.713 -2.377 -7.258 1.00 0.00 O ATOM 56 CB ASN A 4 -1.142 -0.606 -5.985 1.00 0.00 C ATOM 57 CG ASN A 4 -1.080 -0.507 -7.503 1.00 0.00 C ATOM 58 OD1 ASN A 4 -0.007 -0.623 -8.091 1.00 0.00 O ATOM 59 ND2 ASN A 4 -2.236 -0.295 -8.136 1.00 0.00 N ATOM 0 H ASN A 4 -1.340 -1.567 -3.740 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.224 -0.689 -5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.156 0.394 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.246 -1.102 -5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.255 -0.222 -9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.101 -0.206 -7.602 1.00 0.00 H new ATOM 66 N LEU A 5 -1.894 -3.521 -6.581 1.00 0.00 N ATOM 67 CA LEU A 5 -2.109 -4.630 -7.488 1.00 0.00 C ATOM 68 C LEU A 5 -3.584 -5.007 -7.503 1.00 0.00 C ATOM 69 O LEU A 5 -4.181 -5.149 -8.568 1.00 0.00 O ATOM 70 CB LEU A 5 -1.253 -5.816 -7.053 1.00 0.00 C ATOM 71 CG LEU A 5 0.199 -5.567 -7.449 1.00 0.00 C ATOM 72 CD1 LEU A 5 1.013 -6.838 -7.227 1.00 0.00 C ATOM 73 CD2 LEU A 5 0.264 -5.172 -8.922 1.00 0.00 C ATOM 0 H LEU A 5 -1.067 -3.615 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.818 -4.340 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.328 -5.956 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.617 -6.731 -7.520 1.00 0.00 H new ATOM 0 HG LEU A 5 0.609 -4.762 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.050 -6.660 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.967 -7.120 -6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.604 -7.643 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.301 -4.994 -9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.146 -5.976 -9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.317 -4.263 -9.081 1.00 0.00 H new ATOM 85 N GLU A 6 -4.172 -5.169 -6.315 1.00 0.00 N ATOM 86 CA GLU A 6 -5.571 -5.526 -6.200 1.00 0.00 C ATOM 87 C GLU A 6 -6.441 -4.408 -6.758 1.00 0.00 C ATOM 88 O GLU A 6 -7.512 -4.664 -7.304 1.00 0.00 O ATOM 89 CB GLU A 6 -5.908 -5.793 -4.735 1.00 0.00 C ATOM 90 CG GLU A 6 -5.224 -7.080 -4.282 1.00 0.00 C ATOM 91 CD GLU A 6 -3.747 -7.069 -4.650 1.00 0.00 C ATOM 92 OE1 GLU A 6 -3.441 -7.507 -5.780 1.00 0.00 O ATOM 93 OE2 GLU A 6 -2.953 -6.622 -3.795 1.00 0.00 O ATOM 0 H GLU A 6 -3.692 -5.056 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.766 -6.430 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.580 -4.957 -4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.987 -5.878 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.333 -7.194 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.712 -7.938 -4.745 1.00 0.00 H new ATOM 101 N ILE A 7 -5.975 -3.165 -6.620 1.00 0.00 N ATOM 102 CA ILE A 7 -6.706 -2.013 -7.110 1.00 0.00 C ATOM 103 C ILE A 7 -6.793 -2.068 -8.629 1.00 0.00 C ATOM 104 O ILE A 7 -7.750 -1.567 -9.215 1.00 0.00 O ATOM 105 CB ILE A 7 -6.008 -0.736 -6.653 1.00 0.00 C ATOM 106 CG1 ILE A 7 -5.660 -0.847 -5.171 1.00 0.00 C ATOM 107 CG2 ILE A 7 -6.936 0.456 -6.869 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.352 0.540 -4.615 1.00 0.00 C ATOM 0 H ILE A 7 -5.089 -2.938 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.719 -2.020 -6.707 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.094 -0.596 -7.231 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.490 -1.293 -4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.800 -1.503 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.438 1.369 -6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.184 0.537 -7.927 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.850 0.315 -6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.104 0.461 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.508 0.969 -5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.224 1.182 -4.736 1.00 0.00 H new ATOM 120 N ILE A 8 -5.791 -2.679 -9.265 1.00 0.00 N ATOM 121 CA ILE A 8 -5.759 -2.797 -10.709 1.00 0.00 C ATOM 122 C ILE A 8 -6.716 -3.893 -11.157 1.00 0.00 C ATOM 123 O ILE A 8 -7.440 -3.725 -12.136 1.00 0.00 O ATOM 124 CB ILE A 8 -4.335 -3.104 -11.162 1.00 0.00 C ATOM 125 CG1 ILE A 8 -3.494 -1.832 -11.095 1.00 0.00 C ATOM 126 CG2 ILE A 8 -4.358 -3.623 -12.597 1.00 0.00 C ATOM 127 CD1 ILE A 8 -2.025 -2.203 -10.911 1.00 0.00 C ATOM 0 H ILE A 8 -4.991 -3.099 -8.792 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.075 -1.858 -11.162 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.902 -3.861 -10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.622 -1.250 -12.008 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.828 -1.205 -10.268 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.341 -3.842 -12.921 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.958 -4.532 -12.646 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.792 -2.866 -13.251 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.424 -1.295 -10.863 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.905 -2.767 -9.986 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.695 -2.812 -11.753 1.00 0.00 H new ATOM 139 N ILE A 9 -6.719 -5.017 -10.437 1.00 0.00 N ATOM 140 CA ILE A 9 -7.587 -6.132 -10.760 1.00 0.00 C ATOM 141 C ILE A 9 -9.004 -5.835 -10.292 1.00 0.00 C ATOM 142 O ILE A 9 -9.963 -6.399 -10.814 1.00 0.00 O ATOM 143 CB ILE A 9 -7.052 -7.400 -10.099 1.00 0.00 C ATOM 144 CG1 ILE A 9 -5.743 -7.810 -10.768 1.00 0.00 C ATOM 145 CG2 ILE A 9 -8.075 -8.522 -10.252 1.00 0.00 C ATOM 146 CD1 ILE A 9 -5.038 -8.855 -9.908 1.00 0.00 C ATOM 0 H ILE A 9 -6.123 -5.171 -9.623 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.607 -6.282 -11.839 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.874 -7.211 -9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.941 -8.214 -11.761 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.101 -6.939 -10.900 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.694 -9.428 -9.781 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.010 -8.230 -9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.252 -8.711 -11.311 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.103 -9.148 -10.385 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.827 -8.435 -8.925 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.680 -9.729 -9.799 1.00 0.00 H new ATOM 158 N LEU A 10 -9.135 -4.946 -9.304 1.00 0.00 N ATOM 159 CA LEU A 10 -10.432 -4.579 -8.771 1.00 0.00 C ATOM 160 C LEU A 10 -11.037 -3.462 -9.609 1.00 0.00 C ATOM 161 O LEU A 10 -12.181 -3.560 -10.047 1.00 0.00 O ATOM 162 CB LEU A 10 -10.279 -4.142 -7.317 1.00 0.00 C ATOM 163 CG LEU A 10 -10.132 -5.373 -6.429 1.00 0.00 C ATOM 164 CD1 LEU A 10 -10.212 -4.956 -4.963 1.00 0.00 C ATOM 165 CD2 LEU A 10 -11.253 -6.361 -6.739 1.00 0.00 C ATOM 0 H LEU A 10 -8.349 -4.470 -8.861 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.101 -5.438 -8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.407 -3.497 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.147 -3.559 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.168 -5.845 -6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.107 -5.836 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.411 -4.251 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.175 -4.483 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.148 -7.241 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.217 -5.889 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.196 -6.660 -7.786 1.00 0.00 H new ATOM 177 N GLU A 11 -10.264 -2.396 -9.832 1.00 0.00 N ATOM 178 CA GLU A 11 -10.728 -1.270 -10.617 1.00 0.00 C ATOM 179 C GLU A 11 -11.114 -1.733 -12.014 1.00 0.00 C ATOM 180 O GLU A 11 -12.108 -1.275 -12.573 1.00 0.00 O ATOM 181 CB GLU A 11 -9.631 -0.211 -10.682 1.00 0.00 C ATOM 182 CG GLU A 11 -9.469 0.440 -9.312 1.00 0.00 C ATOM 183 CD GLU A 11 -10.599 1.421 -9.040 1.00 0.00 C ATOM 184 OE1 GLU A 11 -11.209 1.874 -10.033 1.00 0.00 O ATOM 185 OE2 GLU A 11 -10.833 1.701 -7.844 1.00 0.00 O ATOM 0 H GLU A 11 -9.313 -2.298 -9.475 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.610 -0.835 -10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.691 -0.665 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.883 0.543 -11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.455 -0.328 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.512 0.959 -9.262 1.00 0.00 H new ATOM 193 N GLY A 12 -10.323 -2.648 -12.579 1.00 0.00 N ATOM 194 CA GLY A 12 -10.588 -3.168 -13.906 1.00 0.00 C ATOM 195 C GLY A 12 -11.779 -4.116 -13.874 1.00 0.00 C ATOM 196 O GLY A 12 -12.764 -3.906 -14.577 1.00 0.00 O ATOM 0 H GLY A 12 -9.495 -3.039 -12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.787 -2.346 -14.593 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.708 -3.691 -14.281 1.00 0.00 H new ATOM 200 N THR A 13 -11.685 -5.164 -13.052 1.00 0.00 N ATOM 201 CA THR A 13 -12.753 -6.135 -12.933 1.00 0.00 C ATOM 202 C THR A 13 -14.040 -5.442 -12.511 1.00 0.00 C ATOM 203 O THR A 13 -15.133 -5.935 -12.782 1.00 0.00 O ATOM 204 CB THR A 13 -12.357 -7.203 -11.917 1.00 0.00 C ATOM 205 OG1 THR A 13 -11.268 -7.946 -12.417 1.00 0.00 O ATOM 206 CG2 THR A 13 -13.539 -8.136 -11.672 1.00 0.00 C ATOM 0 H THR A 13 -10.875 -5.354 -12.462 1.00 0.00 H new ATOM 0 HA THR A 13 -12.922 -6.613 -13.898 1.00 0.00 H new ATOM 0 HB THR A 13 -12.072 -6.725 -10.980 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.445 -7.662 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.256 -8.899 -10.946 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.381 -7.562 -11.286 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.825 -8.615 -12.609 1.00 0.00 H new ATOM 214 N ALA A 14 -13.908 -4.293 -11.845 1.00 0.00 N ATOM 215 CA ALA A 14 -15.056 -3.537 -11.387 1.00 0.00 C ATOM 216 C ALA A 14 -15.798 -2.954 -12.582 1.00 0.00 C ATOM 217 O ALA A 14 -16.955 -3.293 -12.823 1.00 0.00 O ATOM 218 CB ALA A 14 -14.594 -2.430 -10.445 1.00 0.00 C ATOM 0 H ALA A 14 -13.009 -3.871 -11.614 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.737 -4.194 -10.846 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.458 -1.861 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.084 -2.871 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.909 -1.766 -10.972 1.00 0.00 H new ATOM 224 N VAL A 15 -15.129 -2.074 -13.330 1.00 0.00 N ATOM 225 CA VAL A 15 -15.725 -1.448 -14.493 1.00 0.00 C ATOM 226 C VAL A 15 -15.919 -2.483 -15.592 1.00 0.00 C ATOM 227 O VAL A 15 -16.733 -2.291 -16.492 1.00 0.00 O ATOM 228 CB VAL A 15 -14.830 -0.310 -14.973 1.00 0.00 C ATOM 229 CG1 VAL A 15 -15.646 0.653 -15.830 1.00 0.00 C ATOM 230 CG2 VAL A 15 -14.264 0.435 -13.768 1.00 0.00 C ATOM 0 H VAL A 15 -14.169 -1.783 -13.143 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.700 -1.038 -14.231 1.00 0.00 H new ATOM 0 HB VAL A 15 -14.011 -0.718 -15.565 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.006 1.466 -16.173 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -16.050 0.121 -16.691 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.466 1.061 -15.239 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.624 1.248 -14.111 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.083 0.842 -13.175 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.680 -0.253 -13.156 1.00 0.00 H new ATOM 240 N ILE A 16 -15.168 -3.585 -15.516 1.00 0.00 N ATOM 241 CA ILE A 16 -15.260 -4.645 -16.500 1.00 0.00 C ATOM 242 C ILE A 16 -16.503 -5.484 -16.238 1.00 0.00 C ATOM 243 O ILE A 16 -17.419 -5.511 -17.057 1.00 0.00 O ATOM 244 CB ILE A 16 -14.002 -5.506 -16.438 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.844 -4.766 -17.101 1.00 0.00 C ATOM 246 CG2 ILE A 16 -14.251 -6.822 -17.169 1.00 0.00 C ATOM 247 CD1 ILE A 16 -11.522 -5.375 -16.644 1.00 0.00 C ATOM 0 H ILE A 16 -14.488 -3.758 -14.775 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.340 -4.215 -17.498 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.752 -5.710 -15.397 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.931 -4.831 -18.186 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.878 -3.708 -16.841 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.353 -7.438 -17.125 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -15.077 -7.351 -16.694 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.501 -6.618 -18.210 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.695 -4.846 -17.118 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.436 -5.287 -15.561 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.489 -6.427 -16.926 1.00 0.00 H new ATOM 259 N ALA A 17 -16.533 -6.169 -15.093 1.00 0.00 N ATOM 260 CA ALA A 17 -17.661 -7.004 -14.731 1.00 0.00 C ATOM 261 C ALA A 17 -18.953 -6.211 -14.863 1.00 0.00 C ATOM 262 O ALA A 17 -19.998 -6.771 -15.185 1.00 0.00 O ATOM 263 CB ALA A 17 -17.480 -7.509 -13.302 1.00 0.00 C ATOM 0 H ALA A 17 -15.782 -6.156 -14.403 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.714 -7.861 -15.402 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.328 -8.137 -13.028 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -16.561 -8.091 -13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.422 -6.660 -12.621 1.00 0.00 H new ATOM 269 N MET A 18 -18.879 -4.901 -14.613 1.00 0.00 N ATOM 270 CA MET A 18 -20.042 -4.041 -14.704 1.00 0.00 C ATOM 271 C MET A 18 -20.480 -3.913 -16.156 1.00 0.00 C ATOM 272 O MET A 18 -21.602 -4.274 -16.505 1.00 0.00 O ATOM 273 CB MET A 18 -19.707 -2.672 -14.119 1.00 0.00 C ATOM 274 CG MET A 18 -20.038 -2.661 -12.629 1.00 0.00 C ATOM 275 SD MET A 18 -20.087 -1.005 -11.899 1.00 0.00 S ATOM 276 CE MET A 18 -20.881 -0.113 -13.259 1.00 0.00 C ATOM 0 H MET A 18 -18.020 -4.420 -14.346 1.00 0.00 H new ATOM 0 HA MET A 18 -20.864 -4.475 -14.135 1.00 0.00 H new ATOM 0 HB2 MET A 18 -18.651 -2.449 -14.270 1.00 0.00 H new ATOM 0 HB3 MET A 18 -20.273 -1.896 -14.634 1.00 0.00 H new ATOM 0 HG2 MET A 18 -21.004 -3.142 -12.478 1.00 0.00 H new ATOM 0 HG3 MET A 18 -19.298 -3.259 -12.098 1.00 0.00 H new ATOM 0 HE1 MET A 18 -21.375 0.778 -12.871 1.00 0.00 H new ATOM 0 HE2 MET A 18 -20.128 0.179 -13.991 1.00 0.00 H new ATOM 0 HE3 MET A 18 -21.619 -0.758 -13.736 1.00 0.00 H new ATOM 656 N THR B 103 -8.159 -3.788 5.417 1.00 0.00 N ATOM 657 CA THR B 103 -8.665 -3.941 4.068 1.00 0.00 C ATOM 658 C THR B 103 -9.684 -2.851 3.769 1.00 0.00 C ATOM 659 O THR B 103 -9.687 -2.279 2.681 1.00 0.00 O ATOM 660 CB THR B 103 -9.293 -5.324 3.915 1.00 0.00 C ATOM 661 OG1 THR B 103 -9.715 -5.503 2.582 1.00 0.00 O ATOM 662 CG2 THR B 103 -10.493 -5.444 4.850 1.00 0.00 C ATOM 0 HA THR B 103 -7.844 -3.847 3.357 1.00 0.00 H new ATOM 0 HB THR B 103 -8.558 -6.088 4.169 1.00 0.00 H new ATOM 0 HG1 THR B 103 -10.640 -5.194 2.488 1.00 0.00 H new ATOM 0 HG21 THR B 103 -10.942 -6.431 4.741 1.00 0.00 H new ATOM 0 HG22 THR B 103 -10.166 -5.305 5.881 1.00 0.00 H new ATOM 0 HG23 THR B 103 -11.229 -4.681 4.597 1.00 0.00 H new ATOM 670 N ASN B 104 -10.552 -2.563 4.742 1.00 0.00 N ATOM 671 CA ASN B 104 -11.570 -1.544 4.579 1.00 0.00 C ATOM 672 C ASN B 104 -10.974 -0.319 3.901 1.00 0.00 C ATOM 673 O ASN B 104 -11.514 0.172 2.912 1.00 0.00 O ATOM 674 CB ASN B 104 -12.144 -1.179 5.945 1.00 0.00 C ATOM 675 CG ASN B 104 -12.739 0.221 5.928 1.00 0.00 C ATOM 676 OD1 ASN B 104 -12.580 0.977 6.885 1.00 0.00 O ATOM 677 ND2 ASN B 104 -13.424 0.568 4.836 1.00 0.00 N ATOM 0 H ASN B 104 -10.563 -3.027 5.650 1.00 0.00 H new ATOM 0 HA ASN B 104 -12.374 -1.926 3.950 1.00 0.00 H new ATOM 0 HB2 ASN B 104 -12.911 -1.901 6.226 1.00 0.00 H new ATOM 0 HB3 ASN B 104 -11.360 -1.236 6.700 1.00 0.00 H new ATOM 0 HD21 ASN B 104 -13.843 1.496 4.770 1.00 0.00 H new ATOM 0 HD22 ASN B 104 -13.529 -0.095 4.068 1.00 0.00 H new ATOM 684 N LEU B 105 -9.854 0.174 4.436 1.00 0.00 N ATOM 685 CA LEU B 105 -9.189 1.337 3.883 1.00 0.00 C ATOM 686 C LEU B 105 -9.155 1.238 2.364 1.00 0.00 C ATOM 687 O LEU B 105 -9.501 2.191 1.670 1.00 0.00 O ATOM 688 CB LEU B 105 -7.775 1.431 4.450 1.00 0.00 C ATOM 689 CG LEU B 105 -7.837 1.938 5.888 1.00 0.00 C ATOM 690 CD1 LEU B 105 -6.427 2.255 6.377 1.00 0.00 C ATOM 691 CD2 LEU B 105 -8.692 3.201 5.946 1.00 0.00 C ATOM 0 H LEU B 105 -9.394 -0.223 5.255 1.00 0.00 H new ATOM 0 HA LEU B 105 -9.737 2.239 4.157 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -7.293 0.454 4.418 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -7.171 2.104 3.841 1.00 0.00 H new ATOM 0 HG LEU B 105 -8.278 1.171 6.525 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -6.471 2.617 7.404 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -5.816 1.353 6.336 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -5.985 3.022 5.741 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -8.737 3.563 6.973 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -8.251 3.968 5.309 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -9.700 2.975 5.597 1.00 0.00 H new ATOM 703 N GLU B 106 -8.736 0.080 1.849 1.00 0.00 N ATOM 704 CA GLU B 106 -8.661 -0.135 0.418 1.00 0.00 C ATOM 705 C GLU B 106 -10.056 -0.075 -0.190 1.00 0.00 C ATOM 706 O GLU B 106 -10.220 0.344 -1.333 1.00 0.00 O ATOM 707 CB GLU B 106 -8.009 -1.487 0.142 1.00 0.00 C ATOM 708 CG GLU B 106 -6.534 -1.428 0.527 1.00 0.00 C ATOM 709 CD GLU B 106 -6.362 -0.885 1.938 1.00 0.00 C ATOM 710 OE1 GLU B 106 -6.273 0.356 2.061 1.00 0.00 O ATOM 711 OE2 GLU B 106 -6.323 -1.720 2.867 1.00 0.00 O ATOM 0 H GLU B 106 -8.445 -0.720 2.411 1.00 0.00 H new ATOM 0 HA GLU B 106 -8.055 0.648 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -8.513 -2.269 0.710 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -8.111 -1.743 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -6.097 -2.424 0.461 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -5.995 -0.796 -0.178 1.00 0.00 H new ATOM 719 N ILE B 107 -11.061 -0.495 0.581 1.00 0.00 N ATOM 720 CA ILE B 107 -12.436 -0.486 0.121 1.00 0.00 C ATOM 721 C ILE B 107 -12.894 0.948 -0.105 1.00 0.00 C ATOM 722 O ILE B 107 -13.741 1.203 -0.958 1.00 0.00 O ATOM 723 CB ILE B 107 -13.321 -1.183 1.150 1.00 0.00 C ATOM 724 CG1 ILE B 107 -12.675 -2.500 1.570 1.00 0.00 C ATOM 725 CG2 ILE B 107 -14.691 -1.460 0.537 1.00 0.00 C ATOM 726 CD1 ILE B 107 -13.714 -3.379 2.259 1.00 0.00 C ATOM 0 H ILE B 107 -10.939 -0.846 1.531 1.00 0.00 H new ATOM 0 HA ILE B 107 -12.512 -1.023 -0.824 1.00 0.00 H new ATOM 0 HB ILE B 107 -13.436 -0.542 2.024 1.00 0.00 H new ATOM 0 HG12 ILE B 107 -12.270 -3.013 0.698 1.00 0.00 H new ATOM 0 HG13 ILE B 107 -11.840 -2.309 2.244 1.00 0.00 H new ATOM 0 HG21 ILE B 107 -15.324 -1.958 1.271 1.00 0.00 H new ATOM 0 HG22 ILE B 107 -15.153 -0.519 0.238 1.00 0.00 H new ATOM 0 HG23 ILE B 107 -14.576 -2.101 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE B 107 -13.253 -4.320 2.559 1.00 0.00 H new ATOM 0 HD12 ILE B 107 -14.098 -2.866 3.140 1.00 0.00 H new ATOM 0 HD13 ILE B 107 -14.534 -3.580 1.570 1.00 0.00 H new ATOM 738 N ILE B 108 -12.331 1.884 0.663 1.00 0.00 N ATOM 739 CA ILE B 108 -12.681 3.285 0.544 1.00 0.00 C ATOM 740 C ILE B 108 -12.011 3.881 -0.687 1.00 0.00 C ATOM 741 O ILE B 108 -12.630 4.645 -1.424 1.00 0.00 O ATOM 742 CB ILE B 108 -12.251 4.026 1.807 1.00 0.00 C ATOM 743 CG1 ILE B 108 -13.227 3.715 2.937 1.00 0.00 C ATOM 744 CG2 ILE B 108 -12.245 5.528 1.538 1.00 0.00 C ATOM 745 CD1 ILE B 108 -12.521 3.881 4.280 1.00 0.00 C ATOM 0 H ILE B 108 -11.628 1.686 1.375 1.00 0.00 H new ATOM 0 HA ILE B 108 -13.760 3.386 0.430 1.00 0.00 H new ATOM 0 HB ILE B 108 -11.250 3.704 2.094 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -14.088 4.381 2.882 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -13.605 2.697 2.836 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -11.938 6.058 2.440 1.00 0.00 H new ATOM 0 HG22 ILE B 108 -11.547 5.750 0.731 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -13.246 5.850 1.251 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -13.218 3.659 5.088 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -11.674 3.197 4.333 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -12.165 4.906 4.380 1.00 0.00 H new ATOM 757 N ILE B 109 -10.742 3.528 -0.908 1.00 0.00 N ATOM 758 CA ILE B 109 -9.996 4.026 -2.045 1.00 0.00 C ATOM 759 C ILE B 109 -10.416 3.279 -3.304 1.00 0.00 C ATOM 760 O ILE B 109 -10.265 3.791 -4.411 1.00 0.00 O ATOM 761 CB ILE B 109 -8.502 3.854 -1.787 1.00 0.00 C ATOM 762 CG1 ILE B 109 -8.063 4.810 -0.681 1.00 0.00 C ATOM 763 CG2 ILE B 109 -7.726 4.164 -3.064 1.00 0.00 C ATOM 764 CD1 ILE B 109 -6.674 4.413 -0.187 1.00 0.00 C ATOM 0 H ILE B 109 -10.216 2.895 -0.305 1.00 0.00 H new ATOM 0 HA ILE B 109 -10.207 5.086 -2.188 1.00 0.00 H new ATOM 0 HB ILE B 109 -8.303 2.827 -1.480 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -8.049 5.834 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -8.776 4.781 0.143 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -6.659 4.041 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -8.039 3.482 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -7.926 5.191 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -6.360 5.095 0.603 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -6.704 3.396 0.203 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -5.965 4.464 -1.014 1.00 0.00 H new ATOM 776 N LEU B 110 -10.945 2.065 -3.131 1.00 0.00 N ATOM 777 CA LEU B 110 -11.384 1.256 -4.251 1.00 0.00 C ATOM 778 C LEU B 110 -12.812 1.626 -4.627 1.00 0.00 C ATOM 779 O LEU B 110 -13.101 1.892 -5.792 1.00 0.00 O ATOM 780 CB LEU B 110 -11.289 -0.220 -3.878 1.00 0.00 C ATOM 781 CG LEU B 110 -9.835 -0.675 -3.970 1.00 0.00 C ATOM 782 CD1 LEU B 110 -9.766 -2.192 -3.817 1.00 0.00 C ATOM 783 CD2 LEU B 110 -9.261 -0.273 -5.326 1.00 0.00 C ATOM 0 H LEU B 110 -11.076 1.627 -2.219 1.00 0.00 H new ATOM 0 HA LEU B 110 -10.743 1.442 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -11.667 -0.376 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -11.911 -0.816 -4.546 1.00 0.00 H new ATOM 0 HG LEU B 110 -9.256 -0.203 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -8.728 -2.517 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -10.176 -2.479 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -10.345 -2.664 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -8.223 -0.598 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -9.840 -0.744 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -9.310 0.810 -5.435 1.00 0.00 H new ATOM 795 N GLU B 111 -13.706 1.643 -3.636 1.00 0.00 N ATOM 796 CA GLU B 111 -15.096 1.981 -3.869 1.00 0.00 C ATOM 797 C GLU B 111 -15.198 3.376 -4.470 1.00 0.00 C ATOM 798 O GLU B 111 -16.008 3.616 -5.361 1.00 0.00 O ATOM 799 CB GLU B 111 -15.865 1.901 -2.554 1.00 0.00 C ATOM 800 CG GLU B 111 -15.994 0.441 -2.127 1.00 0.00 C ATOM 801 CD GLU B 111 -17.038 -0.280 -2.967 1.00 0.00 C ATOM 802 OE1 GLU B 111 -17.902 0.428 -3.529 1.00 0.00 O ATOM 803 OE2 GLU B 111 -16.954 -1.525 -3.030 1.00 0.00 O ATOM 0 H GLU B 111 -13.483 1.425 -2.665 1.00 0.00 H new ATOM 0 HA GLU B 111 -15.532 1.273 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -15.348 2.472 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -16.853 2.345 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -15.031 -0.059 -2.230 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -16.270 0.389 -1.074 1.00 0.00 H new ATOM 811 N GLY B 112 -14.368 4.299 -3.977 1.00 0.00 N ATOM 812 CA GLY B 112 -14.370 5.663 -4.467 1.00 0.00 C ATOM 813 C GLY B 112 -13.734 5.727 -5.849 1.00 0.00 C ATOM 814 O GLY B 112 -14.360 6.179 -6.805 1.00 0.00 O ATOM 0 H GLY B 112 -13.689 4.118 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -15.392 6.040 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -13.823 6.306 -3.777 1.00 0.00 H new ATOM 818 N THR B 113 -12.483 5.273 -5.951 1.00 0.00 N ATOM 819 CA THR B 113 -11.771 5.281 -7.213 1.00 0.00 C ATOM 820 C THR B 113 -12.546 4.483 -8.251 1.00 0.00 C ATOM 821 O THR B 113 -12.407 4.717 -9.450 1.00 0.00 O ATOM 822 CB THR B 113 -10.376 4.695 -7.012 1.00 0.00 C ATOM 823 OG1 THR B 113 -9.621 5.552 -6.186 1.00 0.00 O ATOM 824 CG2 THR B 113 -9.684 4.554 -8.365 1.00 0.00 C ATOM 0 H THR B 113 -11.949 4.896 -5.168 1.00 0.00 H new ATOM 0 HA THR B 113 -11.674 6.306 -7.572 1.00 0.00 H new ATOM 0 HB THR B 113 -10.458 3.715 -6.541 1.00 0.00 H new ATOM 0 HG1 THR B 113 -9.699 5.260 -5.254 1.00 0.00 H new ATOM 0 HG21 THR B 113 -8.688 4.136 -8.222 1.00 0.00 H new ATOM 0 HG22 THR B 113 -10.267 3.892 -9.005 1.00 0.00 H new ATOM 0 HG23 THR B 113 -9.602 5.534 -8.836 1.00 0.00 H new ATOM 832 N ALA B 114 -13.366 3.537 -7.786 1.00 0.00 N ATOM 833 CA ALA B 114 -14.158 2.709 -8.673 1.00 0.00 C ATOM 834 C ALA B 114 -15.235 3.553 -9.340 1.00 0.00 C ATOM 835 O ALA B 114 -15.241 3.704 -10.560 1.00 0.00 O ATOM 836 CB ALA B 114 -14.782 1.566 -7.877 1.00 0.00 C ATOM 0 H ALA B 114 -13.493 3.332 -6.795 1.00 0.00 H new ATOM 0 HA ALA B 114 -13.521 2.288 -9.451 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -15.378 0.942 -8.543 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -13.993 0.964 -7.425 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -15.421 1.974 -7.094 1.00 0.00 H new ATOM 842 N VAL B 115 -16.148 4.102 -8.536 1.00 0.00 N ATOM 843 CA VAL B 115 -17.224 4.925 -9.051 1.00 0.00 C ATOM 844 C VAL B 115 -16.661 6.236 -9.581 1.00 0.00 C ATOM 845 O VAL B 115 -17.298 6.905 -10.392 1.00 0.00 O ATOM 846 CB VAL B 115 -18.242 5.182 -7.943 1.00 0.00 C ATOM 847 CG1 VAL B 115 -19.579 5.580 -8.562 1.00 0.00 C ATOM 848 CG2 VAL B 115 -18.422 3.913 -7.115 1.00 0.00 C ATOM 0 H VAL B 115 -16.156 3.986 -7.523 1.00 0.00 H new ATOM 0 HA VAL B 115 -17.722 4.408 -9.871 1.00 0.00 H new ATOM 0 HB VAL B 115 -17.885 5.988 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL B 115 -20.306 5.764 -7.771 1.00 0.00 H new ATOM 0 HG12 VAL B 115 -19.450 6.486 -9.154 1.00 0.00 H new ATOM 0 HG13 VAL B 115 -19.937 4.775 -9.204 1.00 0.00 H new ATOM 0 HG21 VAL B 115 -19.149 4.095 -6.323 1.00 0.00 H new ATOM 0 HG22 VAL B 115 -18.779 3.107 -7.757 1.00 0.00 H new ATOM 0 HG23 VAL B 115 -17.467 3.629 -6.673 1.00 0.00 H new ATOM 858 N ILE B 116 -15.462 6.603 -9.120 1.00 0.00 N ATOM 859 CA ILE B 116 -14.818 7.828 -9.549 1.00 0.00 C ATOM 860 C ILE B 116 -14.222 7.637 -10.937 1.00 0.00 C ATOM 861 O ILE B 116 -14.653 8.280 -11.892 1.00 0.00 O ATOM 862 CB ILE B 116 -13.737 8.212 -8.544 1.00 0.00 C ATOM 863 CG1 ILE B 116 -14.388 8.800 -7.295 1.00 0.00 C ATOM 864 CG2 ILE B 116 -12.807 9.249 -9.168 1.00 0.00 C ATOM 865 CD1 ILE B 116 -13.401 8.746 -6.133 1.00 0.00 C ATOM 0 H ILE B 116 -14.923 6.060 -8.446 1.00 0.00 H new ATOM 0 HA ILE B 116 -15.552 8.633 -9.598 1.00 0.00 H new ATOM 0 HB ILE B 116 -13.164 7.326 -8.272 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.691 9.830 -7.481 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -15.291 8.242 -7.046 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -12.034 9.524 -8.450 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -12.341 8.830 -10.060 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -13.381 10.135 -9.440 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -13.866 9.166 -5.241 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -13.120 7.710 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -12.511 9.323 -6.384 1.00 0.00 H new ATOM 877 N ALA B 117 -13.229 6.751 -11.046 1.00 0.00 N ATOM 878 CA ALA B 117 -12.581 6.483 -12.314 1.00 0.00 C ATOM 879 C ALA B 117 -13.629 6.184 -13.376 1.00 0.00 C ATOM 880 O ALA B 117 -13.436 6.497 -14.549 1.00 0.00 O ATOM 881 CB ALA B 117 -11.621 5.307 -12.154 1.00 0.00 C ATOM 0 H ALA B 117 -12.861 6.210 -10.263 1.00 0.00 H new ATOM 0 HA ALA B 117 -12.013 7.358 -12.630 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -11.133 5.104 -13.107 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -10.868 5.551 -11.405 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -12.176 4.425 -11.836 1.00 0.00 H new ATOM 887 N MET B 118 -14.742 5.574 -12.963 1.00 0.00 N ATOM 888 CA MET B 118 -15.812 5.235 -13.880 1.00 0.00 C ATOM 889 C MET B 118 -16.493 6.504 -14.373 1.00 0.00 C ATOM 890 O MET B 118 -16.514 6.777 -15.571 1.00 0.00 O ATOM 891 CB MET B 118 -16.813 4.323 -13.178 1.00 0.00 C ATOM 892 CG MET B 118 -16.411 2.866 -13.393 1.00 0.00 C ATOM 893 SD MET B 118 -17.712 1.677 -12.980 1.00 0.00 S ATOM 894 CE MET B 118 -19.145 2.584 -13.611 1.00 0.00 C ATOM 0 H MET B 118 -14.918 5.307 -11.994 1.00 0.00 H new ATOM 0 HA MET B 118 -15.402 4.709 -14.742 1.00 0.00 H new ATOM 0 HB2 MET B 118 -16.843 4.550 -12.112 1.00 0.00 H new ATOM 0 HB3 MET B 118 -17.816 4.496 -13.569 1.00 0.00 H new ATOM 0 HG2 MET B 118 -16.125 2.729 -14.436 1.00 0.00 H new ATOM 0 HG3 MET B 118 -15.530 2.650 -12.789 1.00 0.00 H new ATOM 0 HE1 MET B 118 -20.015 1.927 -13.622 1.00 0.00 H new ATOM 0 HE2 MET B 118 -19.345 3.441 -12.968 1.00 0.00 H new ATOM 0 HE3 MET B 118 -18.939 2.931 -14.624 1.00 0.00 H new ATOM 1274 N THR C 203 -7.072 -11.992 -0.662 1.00 0.00 N ATOM 1275 CA THR C 203 -7.463 -10.757 -1.310 1.00 0.00 C ATOM 1276 C THR C 203 -8.778 -10.954 -2.052 1.00 0.00 C ATOM 1277 O THR C 203 -9.656 -10.096 -2.007 1.00 0.00 O ATOM 1278 CB THR C 203 -6.363 -10.316 -2.271 1.00 0.00 C ATOM 1279 OG1 THR C 203 -6.710 -9.078 -2.847 1.00 0.00 O ATOM 1280 CG2 THR C 203 -6.198 -11.361 -3.371 1.00 0.00 C ATOM 0 HA THR C 203 -7.606 -9.980 -0.559 1.00 0.00 H new ATOM 0 HB THR C 203 -5.425 -10.212 -1.725 1.00 0.00 H new ATOM 0 HG1 THR C 203 -7.216 -9.231 -3.672 1.00 0.00 H new ATOM 0 HG21 THR C 203 -5.412 -11.046 -4.057 1.00 0.00 H new ATOM 0 HG22 THR C 203 -5.928 -12.319 -2.926 1.00 0.00 H new ATOM 0 HG23 THR C 203 -7.136 -11.466 -3.917 1.00 0.00 H new ATOM 1288 N ASN C 204 -8.911 -12.093 -2.736 1.00 0.00 N ATOM 1289 CA ASN C 204 -10.116 -12.398 -3.482 1.00 0.00 C ATOM 1290 C ASN C 204 -11.342 -12.025 -2.662 1.00 0.00 C ATOM 1291 O ASN C 204 -12.225 -11.318 -3.144 1.00 0.00 O ATOM 1292 CB ASN C 204 -10.132 -13.883 -3.833 1.00 0.00 C ATOM 1293 CG ASN C 204 -11.555 -14.371 -4.067 1.00 0.00 C ATOM 1294 OD1 ASN C 204 -11.912 -15.470 -3.648 1.00 0.00 O ATOM 1295 ND2 ASN C 204 -12.367 -13.549 -4.735 1.00 0.00 N ATOM 0 H ASN C 204 -8.192 -12.815 -2.783 1.00 0.00 H new ATOM 0 HA ASN C 204 -10.133 -11.818 -4.405 1.00 0.00 H new ATOM 0 HB2 ASN C 204 -9.532 -14.056 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN C 204 -9.675 -14.456 -3.027 1.00 0.00 H new ATOM 0 HD21 ASN C 204 -13.332 -13.823 -4.918 1.00 0.00 H new ATOM 0 HD22 ASN C 204 -12.022 -12.646 -5.062 1.00 0.00 H new ATOM 1302 N LEU C 205 -11.395 -12.502 -1.416 1.00 0.00 N ATOM 1303 CA LEU C 205 -12.510 -12.218 -0.535 1.00 0.00 C ATOM 1304 C LEU C 205 -12.898 -10.751 -0.650 1.00 0.00 C ATOM 1305 O LEU C 205 -14.074 -10.427 -0.804 1.00 0.00 O ATOM 1306 CB LEU C 205 -12.124 -12.564 0.901 1.00 0.00 C ATOM 1307 CG LEU C 205 -12.138 -14.079 1.080 1.00 0.00 C ATOM 1308 CD1 LEU C 205 -11.989 -14.418 2.560 1.00 0.00 C ATOM 1309 CD2 LEU C 205 -13.459 -14.640 0.561 1.00 0.00 C ATOM 0 H LEU C 205 -10.671 -13.088 -1.001 1.00 0.00 H new ATOM 0 HA LEU C 205 -13.369 -12.824 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU C 205 -11.134 -12.169 1.128 1.00 0.00 H new ATOM 0 HB3 LEU C 205 -12.820 -12.098 1.598 1.00 0.00 H new ATOM 0 HG LEU C 205 -11.311 -14.518 0.521 1.00 0.00 H new ATOM 0 HD11 LEU C 205 -11.999 -15.500 2.688 1.00 0.00 H new ATOM 0 HD12 LEU C 205 -11.046 -14.017 2.932 1.00 0.00 H new ATOM 0 HD13 LEU C 205 -12.815 -13.979 3.119 1.00 0.00 H new ATOM 0 HD21 LEU C 205 -13.470 -15.722 0.689 1.00 0.00 H new ATOM 0 HD22 LEU C 205 -14.285 -14.201 1.120 1.00 0.00 H new ATOM 0 HD23 LEU C 205 -13.567 -14.398 -0.496 1.00 0.00 H new ATOM 1321 N GLU C 206 -11.905 -9.862 -0.574 1.00 0.00 N ATOM 1322 CA GLU C 206 -12.149 -8.437 -0.671 1.00 0.00 C ATOM 1323 C GLU C 206 -12.693 -8.096 -2.052 1.00 0.00 C ATOM 1324 O GLU C 206 -13.483 -7.166 -2.200 1.00 0.00 O ATOM 1325 CB GLU C 206 -10.852 -7.680 -0.399 1.00 0.00 C ATOM 1326 CG GLU C 206 -10.474 -7.832 1.071 1.00 0.00 C ATOM 1327 CD GLU C 206 -10.500 -9.294 1.491 1.00 0.00 C ATOM 1328 OE1 GLU C 206 -11.591 -9.747 1.901 1.00 0.00 O ATOM 1329 OE2 GLU C 206 -9.430 -9.932 1.394 1.00 0.00 O ATOM 0 H GLU C 206 -10.925 -10.113 -0.445 1.00 0.00 H new ATOM 0 HA GLU C 206 -12.891 -8.141 0.071 1.00 0.00 H new ATOM 0 HB2 GLU C 206 -10.053 -8.066 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU C 206 -10.975 -6.626 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU C 206 -9.479 -7.419 1.239 1.00 0.00 H new ATOM 0 HG3 GLU C 206 -11.166 -7.260 1.689 1.00 0.00 H new ATOM 1337 N ILE C 207 -12.267 -8.854 -3.065 1.00 0.00 N ATOM 1338 CA ILE C 207 -12.711 -8.634 -4.427 1.00 0.00 C ATOM 1339 C ILE C 207 -14.204 -8.913 -4.533 1.00 0.00 C ATOM 1340 O ILE C 207 -14.891 -8.315 -5.358 1.00 0.00 O ATOM 1341 CB ILE C 207 -11.923 -9.538 -5.370 1.00 0.00 C ATOM 1342 CG1 ILE C 207 -10.436 -9.452 -5.035 1.00 0.00 C ATOM 1343 CG2 ILE C 207 -12.146 -9.087 -6.811 1.00 0.00 C ATOM 1344 CD1 ILE C 207 -9.620 -10.008 -6.198 1.00 0.00 C ATOM 0 H ILE C 207 -11.611 -9.628 -2.958 1.00 0.00 H new ATOM 0 HA ILE C 207 -12.534 -7.596 -4.709 1.00 0.00 H new ATOM 0 HB ILE C 207 -12.262 -10.567 -5.254 1.00 0.00 H new ATOM 0 HG12 ILE C 207 -10.155 -8.417 -4.842 1.00 0.00 H new ATOM 0 HG13 ILE C 207 -10.224 -10.015 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE C 207 -11.583 -9.732 -7.485 1.00 0.00 H new ATOM 0 HG22 ILE C 207 -13.207 -9.148 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE C 207 -11.807 -8.058 -6.927 1.00 0.00 H new ATOM 0 HD11 ILE C 207 -8.558 -9.947 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE C 207 -9.894 -11.049 -6.370 1.00 0.00 H new ATOM 0 HD13 ILE C 207 -9.824 -9.426 -7.097 1.00 0.00 H new ATOM 1356 N ILE C 208 -14.704 -9.824 -3.694 1.00 0.00 N ATOM 1357 CA ILE C 208 -16.110 -10.176 -3.696 1.00 0.00 C ATOM 1358 C ILE C 208 -16.914 -9.086 -3.002 1.00 0.00 C ATOM 1359 O ILE C 208 -17.986 -8.710 -3.471 1.00 0.00 O ATOM 1360 CB ILE C 208 -16.298 -11.518 -2.994 1.00 0.00 C ATOM 1361 CG1 ILE C 208 -15.853 -12.644 -3.922 1.00 0.00 C ATOM 1362 CG2 ILE C 208 -17.771 -11.703 -2.638 1.00 0.00 C ATOM 1363 CD1 ILE C 208 -15.424 -13.850 -3.090 1.00 0.00 C ATOM 0 H ILE C 208 -14.146 -10.328 -3.005 1.00 0.00 H new ATOM 0 HA ILE C 208 -16.466 -10.265 -4.722 1.00 0.00 H new ATOM 0 HB ILE C 208 -15.699 -11.540 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE C 208 -16.668 -12.922 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE C 208 -15.026 -12.308 -4.548 1.00 0.00 H new ATOM 0 HG21 ILE C 208 -17.907 -12.661 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE C 208 -18.089 -10.898 -1.975 1.00 0.00 H new ATOM 0 HG23 ILE C 208 -18.371 -11.682 -3.548 1.00 0.00 H new ATOM 0 HD11 ILE C 208 -15.106 -14.655 -3.753 1.00 0.00 H new ATOM 0 HD12 ILE C 208 -14.596 -13.567 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE C 208 -16.263 -14.190 -2.483 1.00 0.00 H new ATOM 1375 N ILE C 209 -16.394 -8.578 -1.882 1.00 0.00 N ATOM 1376 CA ILE C 209 -17.063 -7.535 -1.130 1.00 0.00 C ATOM 1377 C ILE C 209 -16.865 -6.194 -1.823 1.00 0.00 C ATOM 1378 O ILE C 209 -17.661 -5.276 -1.641 1.00 0.00 O ATOM 1379 CB ILE C 209 -16.509 -7.498 0.291 1.00 0.00 C ATOM 1380 CG1 ILE C 209 -16.945 -8.753 1.041 1.00 0.00 C ATOM 1381 CG2 ILE C 209 -17.042 -6.263 1.012 1.00 0.00 C ATOM 1382 CD1 ILE C 209 -16.129 -8.889 2.323 1.00 0.00 C ATOM 0 H ILE C 209 -15.506 -8.880 -1.481 1.00 0.00 H new ATOM 0 HA ILE C 209 -18.132 -7.743 -1.082 1.00 0.00 H new ATOM 0 HB ILE C 209 -15.420 -7.457 0.255 1.00 0.00 H new ATOM 0 HG12 ILE C 209 -18.008 -8.697 1.278 1.00 0.00 H new ATOM 0 HG13 ILE C 209 -16.804 -9.632 0.413 1.00 0.00 H new ATOM 0 HG21 ILE C 209 -16.647 -6.236 2.027 1.00 0.00 H new ATOM 0 HG22 ILE C 209 -16.730 -5.366 0.477 1.00 0.00 H new ATOM 0 HG23 ILE C 209 -18.131 -6.304 1.047 1.00 0.00 H new ATOM 0 HD11 ILE C 209 -16.440 -9.786 2.859 1.00 0.00 H new ATOM 0 HD12 ILE C 209 -15.070 -8.964 2.074 1.00 0.00 H new ATOM 0 HD13 ILE C 209 -16.293 -8.015 2.953 1.00 0.00 H new ATOM 1394 N LEU C 210 -15.799 -6.082 -2.619 1.00 0.00 N ATOM 1395 CA LEU C 210 -15.502 -4.857 -3.334 1.00 0.00 C ATOM 1396 C LEU C 210 -16.264 -4.830 -4.652 1.00 0.00 C ATOM 1397 O LEU C 210 -16.939 -3.852 -4.962 1.00 0.00 O ATOM 1398 CB LEU C 210 -13.999 -4.762 -3.577 1.00 0.00 C ATOM 1399 CG LEU C 210 -13.304 -4.318 -2.293 1.00 0.00 C ATOM 1400 CD1 LEU C 210 -11.842 -3.998 -2.590 1.00 0.00 C ATOM 1401 CD2 LEU C 210 -13.996 -3.073 -1.744 1.00 0.00 C ATOM 0 H LEU C 210 -15.129 -6.834 -2.779 1.00 0.00 H new ATOM 0 HA LEU C 210 -15.816 -4.000 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU C 210 -13.610 -5.728 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU C 210 -13.793 -4.053 -4.379 1.00 0.00 H new ATOM 0 HG LEU C 210 -13.358 -5.119 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU C 210 -11.345 -3.681 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU C 210 -11.347 -4.887 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU C 210 -11.787 -3.197 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU C 210 -13.500 -2.756 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU C 210 -13.943 -2.272 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU C 210 -15.040 -3.301 -1.531 1.00 0.00 H new ATOM 1413 N GLU C 211 -16.153 -5.911 -5.428 1.00 0.00 N ATOM 1414 CA GLU C 211 -16.832 -6.005 -6.705 1.00 0.00 C ATOM 1415 C GLU C 211 -18.334 -5.855 -6.507 1.00 0.00 C ATOM 1416 O GLU C 211 -19.008 -5.203 -7.302 1.00 0.00 O ATOM 1417 CB GLU C 211 -16.503 -7.345 -7.357 1.00 0.00 C ATOM 1418 CG GLU C 211 -15.048 -7.345 -7.815 1.00 0.00 C ATOM 1419 CD GLU C 211 -14.876 -6.512 -9.077 1.00 0.00 C ATOM 1420 OE1 GLU C 211 -15.895 -6.325 -9.777 1.00 0.00 O ATOM 1421 OE2 GLU C 211 -13.728 -6.079 -9.319 1.00 0.00 O ATOM 0 H GLU C 211 -15.596 -6.731 -5.186 1.00 0.00 H new ATOM 0 HA GLU C 211 -16.492 -5.203 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU C 211 -16.673 -8.157 -6.650 1.00 0.00 H new ATOM 0 HB3 GLU C 211 -17.163 -7.520 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU C 211 -14.413 -6.948 -7.023 1.00 0.00 H new ATOM 0 HG3 GLU C 211 -14.721 -8.368 -8.002 1.00 0.00 H new ATOM 1429 N GLY C 212 -18.859 -6.463 -5.441 1.00 0.00 N ATOM 1430 CA GLY C 212 -20.276 -6.393 -5.146 1.00 0.00 C ATOM 1431 C GLY C 212 -20.639 -5.008 -4.628 1.00 0.00 C ATOM 1432 O GLY C 212 -21.492 -4.331 -5.198 1.00 0.00 O ATOM 0 H GLY C 212 -18.316 -7.008 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY C 212 -20.853 -6.616 -6.044 1.00 0.00 H new ATOM 0 HA3 GLY C 212 -20.538 -7.147 -4.403 1.00 0.00 H new ATOM 1436 N THR C 213 -19.988 -4.589 -3.541 1.00 0.00 N ATOM 1437 CA THR C 213 -20.245 -3.289 -2.953 1.00 0.00 C ATOM 1438 C THR C 213 -20.001 -2.197 -3.984 1.00 0.00 C ATOM 1439 O THR C 213 -20.567 -1.110 -3.889 1.00 0.00 O ATOM 1440 CB THR C 213 -19.346 -3.095 -1.736 1.00 0.00 C ATOM 1441 OG1 THR C 213 -19.716 -4.009 -0.728 1.00 0.00 O ATOM 1442 CG2 THR C 213 -19.499 -1.670 -1.212 1.00 0.00 C ATOM 0 H THR C 213 -19.279 -5.138 -3.055 1.00 0.00 H new ATOM 0 HA THR C 213 -21.285 -3.231 -2.633 1.00 0.00 H new ATOM 0 HB THR C 213 -18.308 -3.268 -2.020 1.00 0.00 H new ATOM 0 HG1 THR C 213 -19.026 -4.700 -0.644 1.00 0.00 H new ATOM 0 HG21 THR C 213 -18.857 -1.531 -0.342 1.00 0.00 H new ATOM 0 HG22 THR C 213 -19.213 -0.963 -1.991 1.00 0.00 H new ATOM 0 HG23 THR C 213 -20.537 -1.496 -0.928 1.00 0.00 H new ATOM 1450 N ALA C 214 -19.152 -2.489 -4.973 1.00 0.00 N ATOM 1451 CA ALA C 214 -18.835 -1.534 -6.015 1.00 0.00 C ATOM 1452 C ALA C 214 -20.054 -1.311 -6.898 1.00 0.00 C ATOM 1453 O ALA C 214 -20.580 -0.202 -6.965 1.00 0.00 O ATOM 1454 CB ALA C 214 -17.659 -2.052 -6.838 1.00 0.00 C ATOM 0 H ALA C 214 -18.675 -3.386 -5.066 1.00 0.00 H new ATOM 0 HA ALA C 214 -18.556 -0.580 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA C 214 -17.420 -1.334 -7.622 1.00 0.00 H new ATOM 0 HB2 ALA C 214 -16.792 -2.185 -6.191 1.00 0.00 H new ATOM 0 HB3 ALA C 214 -17.924 -3.008 -7.290 1.00 0.00 H new ATOM 1460 N VAL C 215 -20.502 -2.369 -7.578 1.00 0.00 N ATOM 1461 CA VAL C 215 -21.654 -2.284 -8.453 1.00 0.00 C ATOM 1462 C VAL C 215 -22.915 -2.075 -7.625 1.00 0.00 C ATOM 1463 O VAL C 215 -23.924 -1.597 -8.139 1.00 0.00 O ATOM 1464 CB VAL C 215 -21.757 -3.561 -9.282 1.00 0.00 C ATOM 1465 CG1 VAL C 215 -22.613 -3.297 -10.518 1.00 0.00 C ATOM 1466 CG2 VAL C 215 -20.361 -4.000 -9.714 1.00 0.00 C ATOM 0 H VAL C 215 -20.076 -3.295 -7.533 1.00 0.00 H new ATOM 0 HA VAL C 215 -21.542 -1.436 -9.129 1.00 0.00 H new ATOM 0 HB VAL C 215 -22.216 -4.348 -8.683 1.00 0.00 H new ATOM 0 HG11 VAL C 215 -22.687 -4.209 -11.111 1.00 0.00 H new ATOM 0 HG12 VAL C 215 -23.610 -2.983 -10.210 1.00 0.00 H new ATOM 0 HG13 VAL C 215 -22.154 -2.511 -11.117 1.00 0.00 H new ATOM 0 HG21 VAL C 215 -20.433 -4.912 -10.306 1.00 0.00 H new ATOM 0 HG22 VAL C 215 -19.902 -3.214 -10.313 1.00 0.00 H new ATOM 0 HG23 VAL C 215 -19.749 -4.188 -8.832 1.00 0.00 H new ATOM 1476 N ILE C 216 -22.854 -2.433 -6.340 1.00 0.00 N ATOM 1477 CA ILE C 216 -23.985 -2.282 -5.448 1.00 0.00 C ATOM 1478 C ILE C 216 -24.123 -0.824 -5.032 1.00 0.00 C ATOM 1479 O ILE C 216 -25.111 -0.173 -5.364 1.00 0.00 O ATOM 1480 CB ILE C 216 -23.793 -3.177 -4.228 1.00 0.00 C ATOM 1481 CG1 ILE C 216 -24.079 -4.627 -4.610 1.00 0.00 C ATOM 1482 CG2 ILE C 216 -24.753 -2.744 -3.123 1.00 0.00 C ATOM 1483 CD1 ILE C 216 -23.449 -5.558 -3.578 1.00 0.00 C ATOM 0 H ILE C 216 -22.024 -2.831 -5.901 1.00 0.00 H new ATOM 0 HA ILE C 216 -24.900 -2.581 -5.960 1.00 0.00 H new ATOM 0 HB ILE C 216 -22.766 -3.090 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE C 216 -25.155 -4.796 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE C 216 -23.677 -4.839 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE C 216 -24.616 -3.383 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE C 216 -24.550 -1.709 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE C 216 -25.780 -2.830 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE C 216 -23.653 -6.594 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE C 216 -22.372 -5.395 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE C 216 -23.872 -5.351 -2.595 1.00 0.00 H new ATOM 1495 N ALA C 217 -23.127 -0.312 -4.305 1.00 0.00 N ATOM 1496 CA ALA C 217 -23.143 1.063 -3.847 1.00 0.00 C ATOM 1497 C ALA C 217 -23.423 1.992 -5.020 1.00 0.00 C ATOM 1498 O ALA C 217 -24.043 3.040 -4.851 1.00 0.00 O ATOM 1499 CB ALA C 217 -21.802 1.398 -3.200 1.00 0.00 C ATOM 0 H ALA C 217 -22.300 -0.839 -4.024 1.00 0.00 H new ATOM 0 HA ALA C 217 -23.932 1.196 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA C 217 -21.813 2.432 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA C 217 -21.631 0.734 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA C 217 -21.003 1.267 -3.930 1.00 0.00 H new ATOM 1505 N MET C 218 -22.963 1.606 -6.212 1.00 0.00 N ATOM 1506 CA MET C 218 -23.165 2.407 -7.403 1.00 0.00 C ATOM 1507 C MET C 218 -24.640 2.416 -7.777 1.00 0.00 C ATOM 1508 O MET C 218 -25.268 3.472 -7.821 1.00 0.00 O ATOM 1509 CB MET C 218 -22.322 1.844 -8.543 1.00 0.00 C ATOM 1510 CG MET C 218 -20.952 2.516 -8.543 1.00 0.00 C ATOM 1511 SD MET C 218 -20.012 2.268 -10.070 1.00 0.00 S ATOM 1512 CE MET C 218 -21.363 2.404 -11.267 1.00 0.00 C ATOM 0 H MET C 218 -22.448 0.740 -6.370 1.00 0.00 H new ATOM 0 HA MET C 218 -22.854 3.434 -7.211 1.00 0.00 H new ATOM 0 HB2 MET C 218 -22.210 0.766 -8.428 1.00 0.00 H new ATOM 0 HB3 MET C 218 -22.822 2.013 -9.497 1.00 0.00 H new ATOM 0 HG2 MET C 218 -21.083 3.586 -8.378 1.00 0.00 H new ATOM 0 HG3 MET C 218 -20.371 2.133 -7.704 1.00 0.00 H new ATOM 0 HE1 MET C 218 -20.956 2.649 -12.248 1.00 0.00 H new ATOM 0 HE2 MET C 218 -21.897 1.455 -11.322 1.00 0.00 H new ATOM 0 HE3 MET C 218 -22.050 3.189 -10.952 1.00 0.00 H new