USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 500 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 107 HIS : no HD1:sc= -2.63! K(o=-6.6!,f=-1.2) USER MOD Set 1.2: A 111 ASN : amide:sc= -3.96! K(o=-6.6!,f=-0.45) USER MOD Single : A 81 SER OG : rot 23:sc= 0.0327 USER MOD Single : A 86 LYS NZ :NH3+ 138:sc= -0.194 (180deg=-1.48!) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc=-0.00984 (180deg=-0.278) USER MOD Single : A 96 GLN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 97 ASN : amide:sc= -1.52 K(o=-1.5,f=-5.1!) USER MOD Single : A 101 SER OG : rot 77:sc= 0.315 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 82:sc= 0.842 USER MOD Single : A 115 LYS NZ :NH3+ -148:sc= -0.217 (180deg=-1.26!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -7.99! C(o=-8!,f=-11!) USER MOD Single : A 138 TYR OH : rot -145:sc= 0.68 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -115:sc= -0.177 (180deg=-1.97!) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 81 -18.009 -4.793 -2.251 1.00 0.00 N ATOM 16 CA SER A 81 -16.619 -5.044 -2.609 1.00 0.00 C ATOM 17 C SER A 81 -15.769 -3.824 -2.283 1.00 0.00 C ATOM 18 O SER A 81 -14.682 -3.943 -1.720 1.00 0.00 O ATOM 19 CB SER A 81 -16.508 -5.359 -4.100 1.00 0.00 C ATOM 20 OG SER A 81 -17.211 -6.562 -4.381 1.00 0.00 O ATOM 0 HA SER A 81 -16.260 -5.898 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.919 -4.538 -4.688 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.461 -5.462 -4.384 1.00 0.00 H new ATOM 0 HG SER A 81 -17.886 -6.716 -3.688 1.00 0.00 H new ATOM 26 N GLU A 82 -16.268 -2.650 -2.648 1.00 0.00 N ATOM 27 CA GLU A 82 -15.541 -1.412 -2.396 1.00 0.00 C ATOM 28 C GLU A 82 -15.232 -1.277 -0.903 1.00 0.00 C ATOM 29 O GLU A 82 -14.129 -0.886 -0.523 1.00 0.00 O ATOM 30 CB GLU A 82 -16.387 -0.213 -2.888 1.00 0.00 C ATOM 31 CG GLU A 82 -15.572 0.682 -3.830 1.00 0.00 C ATOM 32 CD GLU A 82 -14.435 1.340 -3.060 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.570 1.484 -1.856 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.446 1.687 -3.682 1.00 0.00 O ATOM 0 H GLU A 82 -17.166 -2.529 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.596 -1.427 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.275 -0.577 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.731 0.370 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.171 0.090 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.215 1.445 -4.269 1.00 0.00 H new ATOM 41 N GLU A 83 -16.208 -1.608 -0.064 1.00 0.00 N ATOM 42 CA GLU A 83 -16.017 -1.522 1.377 1.00 0.00 C ATOM 43 C GLU A 83 -14.903 -2.470 1.812 1.00 0.00 C ATOM 44 O GLU A 83 -14.098 -2.142 2.682 1.00 0.00 O ATOM 45 CB GLU A 83 -17.321 -1.881 2.095 1.00 0.00 C ATOM 46 CG GLU A 83 -18.364 -0.792 1.829 1.00 0.00 C ATOM 47 CD GLU A 83 -19.709 -1.190 2.431 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.781 -2.256 3.020 1.00 0.00 O ATOM 49 OE2 GLU A 83 -20.648 -0.422 2.292 1.00 0.00 O ATOM 0 H GLU A 83 -17.130 -1.935 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.735 -0.502 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.689 -2.845 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.145 -1.977 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.031 0.153 2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.470 -0.635 0.756 1.00 0.00 H new ATOM 56 N GLU A 84 -14.853 -3.636 1.180 1.00 0.00 N ATOM 57 CA GLU A 84 -13.826 -4.621 1.490 1.00 0.00 C ATOM 58 C GLU A 84 -12.445 -4.072 1.115 1.00 0.00 C ATOM 59 O GLU A 84 -11.483 -4.206 1.867 1.00 0.00 O ATOM 60 CB GLU A 84 -14.149 -5.928 0.726 1.00 0.00 C ATOM 61 CG GLU A 84 -12.877 -6.667 0.298 1.00 0.00 C ATOM 62 CD GLU A 84 -11.988 -6.918 1.512 1.00 0.00 C ATOM 63 OE1 GLU A 84 -12.511 -6.919 2.614 1.00 0.00 O ATOM 64 OE2 GLU A 84 -10.797 -7.100 1.322 1.00 0.00 O ATOM 0 H GLU A 84 -15.509 -3.921 0.453 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.812 -4.835 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.752 -6.579 1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.748 -5.696 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.138 -7.614 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.337 -6.079 -0.444 1.00 0.00 H new ATOM 71 N LEU A 85 -12.363 -3.462 -0.054 1.00 0.00 N ATOM 72 CA LEU A 85 -11.096 -2.902 -0.519 1.00 0.00 C ATOM 73 C LEU A 85 -10.569 -1.881 0.482 1.00 0.00 C ATOM 74 O LEU A 85 -9.384 -1.879 0.818 1.00 0.00 O ATOM 75 CB LEU A 85 -11.300 -2.229 -1.880 1.00 0.00 C ATOM 76 CG LEU A 85 -10.018 -1.534 -2.337 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.840 -2.517 -2.327 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.234 -1.007 -3.758 1.00 0.00 C ATOM 0 H LEU A 85 -13.146 -3.340 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.369 -3.708 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.599 -2.973 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.110 -1.502 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.786 -0.714 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.936 -2.005 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.694 -2.900 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.052 -3.346 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.329 -0.507 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.464 -1.839 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.063 -0.299 -3.762 1.00 0.00 H new ATOM 90 N LYS A 86 -11.460 -1.028 0.956 1.00 0.00 N ATOM 91 CA LYS A 86 -11.097 -0.006 1.930 1.00 0.00 C ATOM 92 C LYS A 86 -10.645 -0.654 3.234 1.00 0.00 C ATOM 93 O LYS A 86 -9.746 -0.150 3.908 1.00 0.00 O ATOM 94 CB LYS A 86 -12.282 0.921 2.169 1.00 0.00 C ATOM 95 CG LYS A 86 -12.539 1.713 0.884 1.00 0.00 C ATOM 96 CD LYS A 86 -13.794 2.585 1.036 1.00 0.00 C ATOM 97 CE LYS A 86 -13.449 3.882 1.778 1.00 0.00 C ATOM 98 NZ LYS A 86 -12.356 4.596 1.059 1.00 0.00 N ATOM 0 H LYS A 86 -12.443 -1.021 0.683 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.267 0.582 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.166 0.345 2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.073 1.598 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.677 2.341 0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.664 1.028 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.206 2.817 0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.562 2.038 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.331 4.520 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.140 3.657 2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.564 5.615 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.455 4.439 1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.286 4.234 0.087 1.00 0.00 H new ATOM 112 N GLU A 87 -11.236 -1.800 3.565 1.00 0.00 N ATOM 113 CA GLU A 87 -10.824 -2.513 4.769 1.00 0.00 C ATOM 114 C GLU A 87 -9.386 -2.978 4.578 1.00 0.00 C ATOM 115 O GLU A 87 -8.549 -2.837 5.470 1.00 0.00 O ATOM 116 CB GLU A 87 -11.736 -3.714 5.048 1.00 0.00 C ATOM 117 CG GLU A 87 -13.084 -3.225 5.580 1.00 0.00 C ATOM 118 CD GLU A 87 -14.045 -4.399 5.717 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.648 -5.506 5.389 1.00 0.00 O ATOM 120 OE2 GLU A 87 -15.165 -4.177 6.146 1.00 0.00 O ATOM 0 H GLU A 87 -11.983 -2.245 3.031 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.899 -1.844 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.882 -4.292 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.267 -4.378 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.949 -2.740 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.502 -2.479 4.905 1.00 0.00 H new ATOM 127 N ALA A 88 -9.107 -3.507 3.389 1.00 0.00 N ATOM 128 CA ALA A 88 -7.763 -3.962 3.063 1.00 0.00 C ATOM 129 C ALA A 88 -6.802 -2.780 3.130 1.00 0.00 C ATOM 130 O ALA A 88 -5.701 -2.886 3.663 1.00 0.00 O ATOM 131 CB ALA A 88 -7.741 -4.566 1.656 1.00 0.00 C ATOM 0 H ALA A 88 -9.790 -3.630 2.642 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.457 -4.725 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.732 -4.904 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.426 -5.413 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.050 -3.812 0.932 1.00 0.00 H new ATOM 137 N PHE A 89 -7.242 -1.650 2.596 1.00 0.00 N ATOM 138 CA PHE A 89 -6.430 -0.442 2.608 1.00 0.00 C ATOM 139 C PHE A 89 -6.108 -0.035 4.048 1.00 0.00 C ATOM 140 O PHE A 89 -4.967 0.298 4.370 1.00 0.00 O ATOM 141 CB PHE A 89 -7.174 0.676 1.888 1.00 0.00 C ATOM 142 CG PHE A 89 -6.381 1.945 2.001 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.274 2.156 1.175 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.747 2.905 2.948 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.527 3.328 1.297 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.003 4.082 3.069 1.00 0.00 C ATOM 147 CZ PHE A 89 -4.890 4.292 2.245 1.00 0.00 C ATOM 0 H PHE A 89 -8.153 -1.544 2.150 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.490 -0.633 2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.320 0.416 0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.164 0.811 2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.997 1.412 0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.603 2.738 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.670 3.491 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.286 4.828 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.311 5.199 2.341 1.00 0.00 H new ATOM 157 N ARG A 90 -7.122 -0.078 4.903 1.00 0.00 N ATOM 158 CA ARG A 90 -6.967 0.267 6.304 1.00 0.00 C ATOM 159 C ARG A 90 -5.995 -0.694 6.996 1.00 0.00 C ATOM 160 O ARG A 90 -5.256 -0.304 7.898 1.00 0.00 O ATOM 161 CB ARG A 90 -8.353 0.221 6.961 1.00 0.00 C ATOM 162 CG ARG A 90 -9.030 1.606 6.918 1.00 0.00 C ATOM 163 CD ARG A 90 -8.554 2.467 8.093 1.00 0.00 C ATOM 164 NE ARG A 90 -8.951 1.855 9.353 1.00 0.00 N ATOM 165 CZ ARG A 90 -8.702 2.449 10.515 1.00 0.00 C ATOM 166 NH1 ARG A 90 -9.238 3.608 10.781 1.00 0.00 N ATOM 167 NH2 ARG A 90 -7.924 1.872 11.389 1.00 0.00 N ATOM 0 H ARG A 90 -8.069 -0.352 4.643 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.547 1.268 6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.979 -0.510 6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.259 -0.110 7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.797 2.103 5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.113 1.490 6.958 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.470 2.577 8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.978 3.468 8.016 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.429 0.954 9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.847 4.057 10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.048 4.065 11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.507 0.965 11.180 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.733 2.328 12.281 1.00 0.00 H new ATOM 181 N VAL A 91 -5.984 -1.945 6.546 1.00 0.00 N ATOM 182 CA VAL A 91 -5.076 -2.941 7.105 1.00 0.00 C ATOM 183 C VAL A 91 -3.632 -2.589 6.747 1.00 0.00 C ATOM 184 O VAL A 91 -2.730 -2.672 7.581 1.00 0.00 O ATOM 185 CB VAL A 91 -5.422 -4.333 6.553 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.320 -5.334 6.919 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.763 -4.808 7.135 1.00 0.00 C ATOM 0 H VAL A 91 -6.589 -2.292 5.801 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.184 -2.949 8.190 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.501 -4.270 5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.575 -6.317 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.373 -5.005 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.227 -5.393 8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.002 -5.795 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.690 -4.860 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.549 -4.106 6.857 1.00 0.00 H new ATOM 197 N PHE A 92 -3.433 -2.217 5.488 1.00 0.00 N ATOM 198 CA PHE A 92 -2.109 -1.872 4.985 1.00 0.00 C ATOM 199 C PHE A 92 -1.527 -0.636 5.664 1.00 0.00 C ATOM 200 O PHE A 92 -0.328 -0.571 5.924 1.00 0.00 O ATOM 201 CB PHE A 92 -2.180 -1.609 3.474 1.00 0.00 C ATOM 202 CG PHE A 92 -2.327 -2.910 2.712 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.309 -3.870 2.760 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.467 -3.146 1.934 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.438 -5.060 2.038 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.597 -4.330 1.215 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.581 -5.291 1.261 1.00 0.00 C ATOM 0 H PHE A 92 -4.177 -2.146 4.793 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.458 -2.718 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.023 -0.955 3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.279 -1.090 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.425 -3.691 3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.251 -2.404 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.655 -5.803 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.482 -4.507 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.677 -6.208 0.699 1.00 0.00 H new ATOM 217 N ASP A 93 -2.371 0.352 5.921 1.00 0.00 N ATOM 218 CA ASP A 93 -1.908 1.592 6.534 1.00 0.00 C ATOM 219 C ASP A 93 -1.817 1.479 8.055 1.00 0.00 C ATOM 220 O ASP A 93 -2.782 1.772 8.763 1.00 0.00 O ATOM 221 CB ASP A 93 -2.872 2.724 6.172 1.00 0.00 C ATOM 222 CG ASP A 93 -2.216 4.083 6.409 1.00 0.00 C ATOM 223 OD1 ASP A 93 -1.046 4.107 6.765 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.893 5.081 6.224 1.00 0.00 O ATOM 0 H ASP A 93 -3.370 0.323 5.718 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.908 1.800 6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.170 2.635 5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.779 2.642 6.771 1.00 0.00 H new ATOM 229 N LYS A 94 -0.656 1.061 8.556 1.00 0.00 N ATOM 230 CA LYS A 94 -0.463 0.938 9.984 1.00 0.00 C ATOM 231 C LYS A 94 -0.564 2.310 10.647 1.00 0.00 C ATOM 232 O LYS A 94 -1.241 2.477 11.659 1.00 0.00 O ATOM 233 CB LYS A 94 0.917 0.342 10.255 1.00 0.00 C ATOM 234 CG LYS A 94 1.110 0.101 11.769 1.00 0.00 C ATOM 235 CD LYS A 94 1.996 1.194 12.393 1.00 0.00 C ATOM 236 CE LYS A 94 2.009 1.034 13.918 1.00 0.00 C ATOM 237 NZ LYS A 94 2.593 -0.290 14.280 1.00 0.00 N ATOM 0 H LYS A 94 0.155 0.805 7.992 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.235 0.288 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.027 -0.597 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.690 1.016 9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.140 0.087 12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.564 -0.877 11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.010 1.123 12.001 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.619 2.181 12.124 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.591 1.836 14.372 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.995 1.115 14.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.820 -0.303 15.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.906 -1.042 14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.461 -0.449 13.729 1.00 0.00 H new ATOM 251 N ASP A 95 0.137 3.290 10.065 1.00 0.00 N ATOM 252 CA ASP A 95 0.149 4.657 10.598 1.00 0.00 C ATOM 253 C ASP A 95 -1.216 5.314 10.430 1.00 0.00 C ATOM 254 O ASP A 95 -1.569 6.225 11.177 1.00 0.00 O ATOM 255 CB ASP A 95 1.207 5.494 9.890 1.00 0.00 C ATOM 256 CG ASP A 95 2.530 4.741 9.827 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.879 4.106 10.809 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.175 4.813 8.792 1.00 0.00 O ATOM 0 H ASP A 95 0.703 3.162 9.226 1.00 0.00 H new ATOM 0 HA ASP A 95 0.386 4.602 11.660 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.872 5.737 8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.344 6.438 10.417 1.00 0.00 H new ATOM 263 N GLN A 96 -1.981 4.821 9.463 1.00 0.00 N ATOM 264 CA GLN A 96 -3.335 5.331 9.231 1.00 0.00 C ATOM 265 C GLN A 96 -3.289 6.848 8.836 1.00 0.00 C ATOM 266 O GLN A 96 -4.141 7.633 9.254 1.00 0.00 O ATOM 267 CB GLN A 96 -4.213 5.165 10.531 1.00 0.00 C ATOM 268 CG GLN A 96 -4.349 3.731 11.110 1.00 0.00 C ATOM 269 CD GLN A 96 -5.119 3.796 12.447 1.00 0.00 C ATOM 270 OE1 GLN A 96 -4.638 3.331 13.462 1.00 0.00 O ATOM 271 NE2 GLN A 96 -6.262 4.444 12.489 1.00 0.00 N ATOM 0 H GLN A 96 -1.694 4.075 8.830 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.777 4.758 8.416 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.794 5.806 11.307 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.214 5.539 10.314 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.875 3.089 10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.363 3.293 11.265 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.660 4.832 11.634 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.751 4.559 13.377 1.00 0.00 H new ATOM 280 N ASN A 97 -2.311 7.272 8.017 1.00 0.00 N ATOM 281 CA ASN A 97 -2.237 8.682 7.604 1.00 0.00 C ATOM 282 C ASN A 97 -2.990 8.870 6.293 1.00 0.00 C ATOM 283 O ASN A 97 -2.982 9.949 5.700 1.00 0.00 O ATOM 284 CB ASN A 97 -0.774 9.090 7.477 1.00 0.00 C ATOM 285 CG ASN A 97 -0.052 8.685 8.765 1.00 0.00 C ATOM 286 OD1 ASN A 97 0.991 8.035 8.706 1.00 0.00 O ATOM 287 ND2 ASN A 97 -0.559 9.006 9.934 1.00 0.00 N ATOM 0 H ASN A 97 -1.578 6.674 7.636 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.705 9.322 8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.317 8.603 6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.691 10.165 7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.088 8.716 10.791 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.424 9.545 9.984 1.00 0.00 H new ATOM 294 N GLY A 98 -3.659 7.804 5.861 1.00 0.00 N ATOM 295 CA GLY A 98 -4.433 7.833 4.629 1.00 0.00 C ATOM 296 C GLY A 98 -3.544 7.433 3.464 1.00 0.00 C ATOM 297 O GLY A 98 -3.958 7.471 2.306 1.00 0.00 O ATOM 0 H GLY A 98 -3.679 6.909 6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.281 7.153 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.839 8.831 4.465 1.00 0.00 H new ATOM 301 N PHE A 99 -2.305 7.064 3.797 1.00 0.00 N ATOM 302 CA PHE A 99 -1.313 6.655 2.801 1.00 0.00 C ATOM 303 C PHE A 99 -0.622 5.372 3.240 1.00 0.00 C ATOM 304 O PHE A 99 -0.520 5.088 4.434 1.00 0.00 O ATOM 305 CB PHE A 99 -0.242 7.738 2.651 1.00 0.00 C ATOM 306 CG PHE A 99 -0.818 8.948 1.955 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.724 9.771 2.629 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.439 9.249 0.641 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.258 10.896 1.990 1.00 0.00 C ATOM 310 CE2 PHE A 99 -0.974 10.374 0.002 1.00 0.00 C ATOM 311 CZ PHE A 99 -1.884 11.198 0.676 1.00 0.00 C ATOM 0 H PHE A 99 -1.963 7.040 4.758 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.831 6.499 1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.139 8.021 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.602 7.349 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.012 9.539 3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.264 8.615 0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.959 11.531 2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.685 10.607 -1.012 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.297 12.065 0.182 1.00 0.00 H new ATOM 321 N ILE A 100 -0.095 4.628 2.270 1.00 0.00 N ATOM 322 CA ILE A 100 0.648 3.405 2.567 1.00 0.00 C ATOM 323 C ILE A 100 2.102 3.638 2.205 1.00 0.00 C ATOM 324 O ILE A 100 2.419 4.082 1.101 1.00 0.00 O ATOM 325 CB ILE A 100 0.099 2.214 1.787 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.371 2.022 2.152 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.884 0.958 2.168 1.00 0.00 C ATOM 328 CD1 ILE A 100 -2.008 1.000 1.209 1.00 0.00 C ATOM 0 H ILE A 100 -0.168 4.849 1.277 1.00 0.00 H new ATOM 0 HA ILE A 100 0.547 3.172 3.627 1.00 0.00 H new ATOM 0 HB ILE A 100 0.195 2.392 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.458 1.682 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.900 2.973 2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.496 0.104 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.937 1.100 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.780 0.774 3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.057 0.866 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.935 1.358 0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.486 0.047 1.299 1.00 0.00 H new ATOM 340 N SER A 101 2.979 3.354 3.150 1.00 0.00 N ATOM 341 CA SER A 101 4.411 3.551 2.947 1.00 0.00 C ATOM 342 C SER A 101 5.115 2.210 2.802 1.00 0.00 C ATOM 343 O SER A 101 4.627 1.190 3.292 1.00 0.00 O ATOM 344 CB SER A 101 4.991 4.328 4.132 1.00 0.00 C ATOM 345 OG SER A 101 4.046 5.300 4.561 1.00 0.00 O ATOM 0 H SER A 101 2.729 2.986 4.068 1.00 0.00 H new ATOM 0 HA SER A 101 4.567 4.121 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.226 3.646 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.924 4.813 3.843 1.00 0.00 H new ATOM 0 HG SER A 101 3.337 4.862 5.076 1.00 0.00 H new ATOM 351 N ALA A 102 6.272 2.213 2.146 1.00 0.00 N ATOM 352 CA ALA A 102 7.023 0.981 1.979 1.00 0.00 C ATOM 353 C ALA A 102 7.240 0.377 3.355 1.00 0.00 C ATOM 354 O ALA A 102 7.104 -0.831 3.552 1.00 0.00 O ATOM 355 CB ALA A 102 8.370 1.268 1.314 1.00 0.00 C ATOM 0 H ALA A 102 6.700 3.040 1.730 1.00 0.00 H new ATOM 0 HA ALA A 102 6.473 0.288 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.923 0.336 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.204 1.719 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.945 1.954 1.937 1.00 0.00 H new ATOM 361 N ALA A 103 7.550 1.246 4.309 1.00 0.00 N ATOM 362 CA ALA A 103 7.759 0.820 5.682 1.00 0.00 C ATOM 363 C ALA A 103 6.531 0.060 6.170 1.00 0.00 C ATOM 364 O ALA A 103 6.640 -1.047 6.697 1.00 0.00 O ATOM 365 CB ALA A 103 7.981 2.048 6.568 1.00 0.00 C ATOM 0 H ALA A 103 7.662 2.248 4.155 1.00 0.00 H new ATOM 0 HA ALA A 103 8.633 0.171 5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.138 1.730 7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.857 2.594 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.106 2.696 6.518 1.00 0.00 H new ATOM 371 N GLU A 104 5.357 0.659 5.973 1.00 0.00 N ATOM 372 CA GLU A 104 4.114 0.038 6.377 1.00 0.00 C ATOM 373 C GLU A 104 3.892 -1.233 5.567 1.00 0.00 C ATOM 374 O GLU A 104 3.496 -2.268 6.104 1.00 0.00 O ATOM 375 CB GLU A 104 2.966 1.015 6.135 1.00 0.00 C ATOM 376 CG GLU A 104 3.081 2.194 7.102 1.00 0.00 C ATOM 377 CD GLU A 104 1.999 3.224 6.795 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.826 3.542 5.630 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.365 3.686 7.730 1.00 0.00 O ATOM 0 H GLU A 104 5.250 1.574 5.535 1.00 0.00 H new ATOM 0 HA GLU A 104 4.156 -0.218 7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.991 1.373 5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.010 0.510 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.981 1.844 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.066 2.652 7.015 1.00 0.00 H new ATOM 386 N LEU A 105 4.164 -1.144 4.271 1.00 0.00 N ATOM 387 CA LEU A 105 4.009 -2.287 3.382 1.00 0.00 C ATOM 388 C LEU A 105 4.980 -3.400 3.781 1.00 0.00 C ATOM 389 O LEU A 105 4.622 -4.578 3.801 1.00 0.00 O ATOM 390 CB LEU A 105 4.267 -1.854 1.930 1.00 0.00 C ATOM 391 CG LEU A 105 3.631 -2.860 0.947 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.144 -2.528 0.733 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.354 -2.786 -0.402 1.00 0.00 C ATOM 0 H LEU A 105 4.492 -0.294 3.813 1.00 0.00 H new ATOM 0 HA LEU A 105 2.991 -2.667 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.853 -0.860 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.340 -1.788 1.749 1.00 0.00 H new ATOM 0 HG LEU A 105 3.721 -3.862 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.708 -3.245 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.618 -2.581 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.051 -1.522 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.904 -3.497 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.266 -1.778 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.407 -3.031 -0.264 1.00 0.00 H new ATOM 405 N ARG A 106 6.208 -3.010 4.114 1.00 0.00 N ATOM 406 CA ARG A 106 7.216 -3.968 4.524 1.00 0.00 C ATOM 407 C ARG A 106 6.800 -4.646 5.824 1.00 0.00 C ATOM 408 O ARG A 106 6.938 -5.856 5.975 1.00 0.00 O ATOM 409 CB ARG A 106 8.547 -3.251 4.723 1.00 0.00 C ATOM 410 CG ARG A 106 9.623 -4.272 5.064 1.00 0.00 C ATOM 411 CD ARG A 106 10.969 -3.565 5.159 1.00 0.00 C ATOM 412 NE ARG A 106 10.996 -2.654 6.300 1.00 0.00 N ATOM 413 CZ ARG A 106 12.018 -1.825 6.490 1.00 0.00 C ATOM 414 NH1 ARG A 106 12.483 -1.124 5.491 1.00 0.00 N ATOM 415 NH2 ARG A 106 12.562 -1.712 7.671 1.00 0.00 N ATOM 0 H ARG A 106 6.523 -2.040 4.106 1.00 0.00 H new ATOM 0 HA ARG A 106 7.321 -4.727 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.819 -2.707 3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.461 -2.516 5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.389 -4.764 6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.659 -5.049 4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.766 -4.302 5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.159 -3.010 4.240 1.00 0.00 H new ATOM 0 HE ARG A 106 10.219 -2.654 6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.062 -1.213 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.267 -0.488 5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.203 -2.261 8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.346 -1.075 7.813 1.00 0.00 H new ATOM 429 N HIS A 107 6.293 -3.849 6.758 1.00 0.00 N ATOM 430 CA HIS A 107 5.859 -4.368 8.051 1.00 0.00 C ATOM 431 C HIS A 107 4.652 -5.290 7.894 1.00 0.00 C ATOM 432 O HIS A 107 4.612 -6.381 8.465 1.00 0.00 O ATOM 433 CB HIS A 107 5.497 -3.199 8.968 1.00 0.00 C ATOM 434 CG HIS A 107 5.233 -3.710 10.354 1.00 0.00 C ATOM 435 ND1 HIS A 107 3.965 -4.079 10.776 1.00 0.00 N ATOM 436 CD2 HIS A 107 6.061 -3.918 11.427 1.00 0.00 C ATOM 437 CE1 HIS A 107 4.067 -4.487 12.053 1.00 0.00 C ATOM 438 NE2 HIS A 107 5.324 -4.409 12.500 1.00 0.00 N ATOM 0 H HIS A 107 6.172 -2.843 6.645 1.00 0.00 H new ATOM 0 HA HIS A 107 6.675 -4.945 8.486 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.309 -2.473 8.986 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.616 -2.683 8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.124 -3.729 11.438 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.234 -4.836 12.646 1.00 0.00 H new ATOM 0 HE2 HIS A 107 5.669 -4.656 13.428 1.00 0.00 H new ATOM 446 N VAL A 108 3.675 -4.845 7.113 1.00 0.00 N ATOM 447 CA VAL A 108 2.469 -5.633 6.877 1.00 0.00 C ATOM 448 C VAL A 108 2.820 -6.915 6.130 1.00 0.00 C ATOM 449 O VAL A 108 2.316 -7.994 6.449 1.00 0.00 O ATOM 450 CB VAL A 108 1.455 -4.804 6.079 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.253 -5.674 5.701 1.00 0.00 C ATOM 452 CG2 VAL A 108 0.979 -3.623 6.939 1.00 0.00 C ATOM 0 H VAL A 108 3.693 -3.945 6.633 1.00 0.00 H new ATOM 0 HA VAL A 108 2.023 -5.903 7.834 1.00 0.00 H new ATOM 0 HB VAL A 108 1.928 -4.433 5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.463 -5.079 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.589 -6.514 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.223 -6.050 6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.258 -3.030 6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.509 -4.000 7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.832 -2.999 7.205 1.00 0.00 H new ATOM 462 N MET A 109 3.709 -6.793 5.152 1.00 0.00 N ATOM 463 CA MET A 109 4.147 -7.947 4.380 1.00 0.00 C ATOM 464 C MET A 109 4.905 -8.915 5.288 1.00 0.00 C ATOM 465 O MET A 109 4.805 -10.131 5.138 1.00 0.00 O ATOM 466 CB MET A 109 5.043 -7.479 3.227 1.00 0.00 C ATOM 467 CG MET A 109 4.174 -6.925 2.087 1.00 0.00 C ATOM 468 SD MET A 109 3.575 -8.288 1.062 1.00 0.00 S ATOM 469 CE MET A 109 2.250 -7.374 0.234 1.00 0.00 C ATOM 0 H MET A 109 4.139 -5.910 4.876 1.00 0.00 H new ATOM 0 HA MET A 109 3.281 -8.463 3.966 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.732 -6.711 3.578 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.649 -8.309 2.865 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.332 -6.368 2.497 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.753 -6.228 1.481 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.732 -8.034 -0.462 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.543 -7.004 0.977 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.675 -6.532 -0.312 1.00 0.00 H new ATOM 479 N THR A 110 5.646 -8.365 6.243 1.00 0.00 N ATOM 480 CA THR A 110 6.394 -9.188 7.190 1.00 0.00 C ATOM 481 C THR A 110 5.436 -10.014 8.049 1.00 0.00 C ATOM 482 O THR A 110 5.662 -11.201 8.285 1.00 0.00 O ATOM 483 CB THR A 110 7.272 -8.307 8.081 1.00 0.00 C ATOM 484 OG1 THR A 110 8.052 -7.448 7.266 1.00 0.00 O ATOM 485 CG2 THR A 110 8.192 -9.189 8.924 1.00 0.00 C ATOM 0 H THR A 110 5.746 -7.360 6.383 1.00 0.00 H new ATOM 0 HA THR A 110 7.035 -9.867 6.628 1.00 0.00 H new ATOM 0 HB THR A 110 6.642 -7.711 8.741 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.513 -6.675 6.996 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.817 -8.561 9.558 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.591 -9.850 9.548 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.825 -9.786 8.268 1.00 0.00 H new ATOM 493 N ASN A 111 4.354 -9.375 8.489 1.00 0.00 N ATOM 494 CA ASN A 111 3.342 -10.049 9.300 1.00 0.00 C ATOM 495 C ASN A 111 2.736 -11.189 8.495 1.00 0.00 C ATOM 496 O ASN A 111 2.397 -12.249 9.023 1.00 0.00 O ATOM 497 CB ASN A 111 2.231 -9.055 9.659 1.00 0.00 C ATOM 498 CG ASN A 111 2.704 -8.090 10.737 1.00 0.00 C ATOM 499 OD1 ASN A 111 2.829 -8.469 11.902 1.00 0.00 O ATOM 500 ND2 ASN A 111 2.974 -6.855 10.415 1.00 0.00 N ATOM 0 H ASN A 111 4.156 -8.393 8.298 1.00 0.00 H new ATOM 0 HA ASN A 111 3.803 -10.434 10.210 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.932 -8.498 8.771 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.351 -9.595 10.008 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.290 -6.199 11.129 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.869 -6.545 9.449 1.00 0.00 H new ATOM 507 N LEU A 112 2.597 -10.929 7.205 1.00 0.00 N ATOM 508 CA LEU A 112 2.022 -11.878 6.262 1.00 0.00 C ATOM 509 C LEU A 112 2.822 -13.183 6.269 1.00 0.00 C ATOM 510 O LEU A 112 2.265 -14.279 6.188 1.00 0.00 O ATOM 511 CB LEU A 112 2.115 -11.228 4.861 1.00 0.00 C ATOM 512 CG LEU A 112 0.992 -11.668 3.898 1.00 0.00 C ATOM 513 CD1 LEU A 112 0.695 -13.167 4.007 1.00 0.00 C ATOM 514 CD2 LEU A 112 -0.277 -10.852 4.179 1.00 0.00 C ATOM 0 H LEU A 112 2.882 -10.047 6.779 1.00 0.00 H new ATOM 0 HA LEU A 112 0.991 -12.109 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.084 -10.144 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.080 -11.476 4.418 1.00 0.00 H new ATOM 0 HG LEU A 112 1.332 -11.481 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.101 -13.432 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.593 -13.735 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.382 -13.403 5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.069 -11.164 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.597 -11.019 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.068 -9.792 4.031 1.00 0.00 H new ATOM 526 N GLY A 113 4.139 -13.035 6.319 1.00 0.00 N ATOM 527 CA GLY A 113 5.052 -14.174 6.271 1.00 0.00 C ATOM 528 C GLY A 113 5.687 -14.192 4.893 1.00 0.00 C ATOM 529 O GLY A 113 6.304 -15.172 4.474 1.00 0.00 O ATOM 0 H GLY A 113 4.604 -12.130 6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.816 -14.086 7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.515 -15.104 6.458 1.00 0.00 H new ATOM 533 N GLU A 114 5.550 -13.052 4.214 1.00 0.00 N ATOM 534 CA GLU A 114 6.121 -12.856 2.889 1.00 0.00 C ATOM 535 C GLU A 114 7.441 -12.118 3.057 1.00 0.00 C ATOM 536 O GLU A 114 7.515 -11.153 3.818 1.00 0.00 O ATOM 537 CB GLU A 114 5.171 -12.024 2.021 1.00 0.00 C ATOM 538 CG GLU A 114 3.880 -12.806 1.760 1.00 0.00 C ATOM 539 CD GLU A 114 2.931 -11.973 0.905 1.00 0.00 C ATOM 540 OE1 GLU A 114 3.335 -10.904 0.479 1.00 0.00 O ATOM 541 OE2 GLU A 114 1.818 -12.417 0.683 1.00 0.00 O ATOM 0 H GLU A 114 5.041 -12.243 4.570 1.00 0.00 H new ATOM 0 HA GLU A 114 6.277 -13.818 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.941 -11.082 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.653 -11.775 1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.109 -13.744 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.402 -13.061 2.706 1.00 0.00 H new ATOM 548 N LYS A 115 8.484 -12.569 2.363 1.00 0.00 N ATOM 549 CA LYS A 115 9.801 -11.935 2.473 1.00 0.00 C ATOM 550 C LYS A 115 10.271 -11.397 1.133 1.00 0.00 C ATOM 551 O LYS A 115 10.912 -12.105 0.356 1.00 0.00 O ATOM 552 CB LYS A 115 10.814 -12.953 2.992 1.00 0.00 C ATOM 553 CG LYS A 115 10.472 -13.307 4.443 1.00 0.00 C ATOM 554 CD LYS A 115 11.444 -14.370 4.983 1.00 0.00 C ATOM 555 CE LYS A 115 10.971 -15.775 4.588 1.00 0.00 C ATOM 556 NZ LYS A 115 9.616 -16.019 5.157 1.00 0.00 N ATOM 0 H LYS A 115 8.447 -13.363 1.724 1.00 0.00 H new ATOM 0 HA LYS A 115 9.717 -11.098 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.797 -13.850 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.822 -12.544 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.522 -12.412 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.449 -13.678 4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.444 -14.192 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.511 -14.293 6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.944 -15.870 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.672 -16.524 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.511 -17.029 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.497 -15.457 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.893 -15.742 4.463 1.00 0.00 H new ATOM 570 N LEU A 116 9.955 -10.133 0.875 1.00 0.00 N ATOM 571 CA LEU A 116 10.353 -9.479 -0.369 1.00 0.00 C ATOM 572 C LEU A 116 11.626 -8.669 -0.136 1.00 0.00 C ATOM 573 O LEU A 116 12.003 -8.396 1.004 1.00 0.00 O ATOM 574 CB LEU A 116 9.226 -8.548 -0.871 1.00 0.00 C ATOM 575 CG LEU A 116 8.399 -8.026 0.315 1.00 0.00 C ATOM 576 CD1 LEU A 116 9.308 -7.271 1.302 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.305 -7.082 -0.211 1.00 0.00 C ATOM 0 H LEU A 116 9.423 -9.539 1.511 1.00 0.00 H new ATOM 0 HA LEU A 116 10.540 -10.242 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.655 -7.710 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.581 -9.088 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 116 7.940 -8.867 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.712 -6.905 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.080 -7.945 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.776 -6.428 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.714 -6.708 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.767 -6.244 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.657 -7.624 -0.899 1.00 0.00 H new ATOM 589 N THR A 117 12.273 -8.276 -1.229 1.00 0.00 N ATOM 590 CA THR A 117 13.493 -7.483 -1.154 1.00 0.00 C ATOM 591 C THR A 117 13.150 -6.006 -1.285 1.00 0.00 C ATOM 592 O THR A 117 12.017 -5.652 -1.609 1.00 0.00 O ATOM 593 CB THR A 117 14.447 -7.897 -2.273 1.00 0.00 C ATOM 594 OG1 THR A 117 15.707 -7.271 -2.083 1.00 0.00 O ATOM 595 CG2 THR A 117 13.868 -7.484 -3.619 1.00 0.00 C ATOM 0 H THR A 117 11.971 -8.495 -2.178 1.00 0.00 H new ATOM 0 HA THR A 117 13.977 -7.654 -0.193 1.00 0.00 H new ATOM 0 HB THR A 117 14.576 -8.979 -2.253 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.317 -7.540 -2.801 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.551 -7.781 -4.415 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.905 -7.973 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.733 -6.403 -3.641 1.00 0.00 H new ATOM 603 N ASP A 118 14.130 -5.149 -1.048 1.00 0.00 N ATOM 604 CA ASP A 118 13.915 -3.722 -1.157 1.00 0.00 C ATOM 605 C ASP A 118 13.584 -3.348 -2.597 1.00 0.00 C ATOM 606 O ASP A 118 12.746 -2.480 -2.847 1.00 0.00 O ATOM 607 CB ASP A 118 15.184 -3.000 -0.716 1.00 0.00 C ATOM 608 CG ASP A 118 16.371 -3.496 -1.534 1.00 0.00 C ATOM 609 OD1 ASP A 118 16.316 -4.624 -1.997 1.00 0.00 O ATOM 610 OD2 ASP A 118 17.321 -2.746 -1.682 1.00 0.00 O ATOM 0 H ASP A 118 15.077 -5.418 -0.780 1.00 0.00 H new ATOM 0 HA ASP A 118 13.079 -3.429 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.065 -1.924 -0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.363 -3.175 0.345 1.00 0.00 H new ATOM 615 N GLU A 119 14.271 -3.986 -3.541 1.00 0.00 N ATOM 616 CA GLU A 119 14.073 -3.700 -4.956 1.00 0.00 C ATOM 617 C GLU A 119 12.644 -4.006 -5.415 1.00 0.00 C ATOM 618 O GLU A 119 12.046 -3.213 -6.141 1.00 0.00 O ATOM 619 CB GLU A 119 15.070 -4.516 -5.781 1.00 0.00 C ATOM 620 CG GLU A 119 16.498 -4.060 -5.462 1.00 0.00 C ATOM 621 CD GLU A 119 16.722 -2.632 -5.951 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.451 -2.376 -7.112 1.00 0.00 O ATOM 623 OE2 GLU A 119 17.162 -1.816 -5.158 1.00 0.00 O ATOM 0 H GLU A 119 14.969 -4.704 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 119 14.240 -2.634 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.958 -5.577 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.866 -4.390 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.673 -4.115 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.215 -4.730 -5.936 1.00 0.00 H new ATOM 630 N GLU A 120 12.077 -5.127 -4.972 1.00 0.00 N ATOM 631 CA GLU A 120 10.707 -5.449 -5.346 1.00 0.00 C ATOM 632 C GLU A 120 9.786 -4.440 -4.699 1.00 0.00 C ATOM 633 O GLU A 120 8.852 -3.933 -5.320 1.00 0.00 O ATOM 634 CB GLU A 120 10.337 -6.853 -4.877 1.00 0.00 C ATOM 635 CG GLU A 120 11.037 -7.881 -5.763 1.00 0.00 C ATOM 636 CD GLU A 120 10.386 -7.913 -7.142 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.244 -7.497 -7.245 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.035 -8.360 -8.071 1.00 0.00 O ATOM 0 H GLU A 120 12.534 -5.811 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 120 10.610 -5.415 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.632 -6.991 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.257 -6.992 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.094 -7.632 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.981 -8.868 -5.303 1.00 0.00 H new ATOM 645 N VAL A 121 10.072 -4.159 -3.435 1.00 0.00 N ATOM 646 CA VAL A 121 9.281 -3.207 -2.674 1.00 0.00 C ATOM 647 C VAL A 121 9.313 -1.835 -3.346 1.00 0.00 C ATOM 648 O VAL A 121 8.274 -1.216 -3.559 1.00 0.00 O ATOM 649 CB VAL A 121 9.868 -3.114 -1.258 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.261 -1.928 -0.500 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.572 -4.408 -0.493 1.00 0.00 C ATOM 0 H VAL A 121 10.845 -4.577 -2.917 1.00 0.00 H new ATOM 0 HA VAL A 121 8.244 -3.539 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 121 10.945 -2.968 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.689 -1.878 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.480 -1.004 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.181 -2.057 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.989 -4.340 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.494 -4.554 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.022 -5.251 -1.017 1.00 0.00 H new ATOM 661 N ASP A 122 10.509 -1.373 -3.688 1.00 0.00 N ATOM 662 CA ASP A 122 10.660 -0.080 -4.343 1.00 0.00 C ATOM 663 C ASP A 122 10.030 -0.091 -5.735 1.00 0.00 C ATOM 664 O ASP A 122 9.275 0.812 -6.092 1.00 0.00 O ATOM 665 CB ASP A 122 12.146 0.267 -4.454 1.00 0.00 C ATOM 666 CG ASP A 122 12.318 1.585 -5.199 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.325 2.265 -5.400 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.442 1.898 -5.557 1.00 0.00 O ATOM 0 H ASP A 122 11.384 -1.871 -3.524 1.00 0.00 H new ATOM 0 HA ASP A 122 10.148 0.671 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.586 0.342 -3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.676 -0.529 -4.978 1.00 0.00 H new ATOM 673 N GLU A 123 10.363 -1.110 -6.526 1.00 0.00 N ATOM 674 CA GLU A 123 9.841 -1.216 -7.886 1.00 0.00 C ATOM 675 C GLU A 123 8.318 -1.170 -7.887 1.00 0.00 C ATOM 676 O GLU A 123 7.712 -0.494 -8.719 1.00 0.00 O ATOM 677 CB GLU A 123 10.311 -2.525 -8.525 1.00 0.00 C ATOM 678 CG GLU A 123 10.073 -2.464 -10.035 1.00 0.00 C ATOM 679 CD GLU A 123 11.100 -1.541 -10.684 1.00 0.00 C ATOM 680 OE1 GLU A 123 11.993 -1.096 -9.983 1.00 0.00 O ATOM 681 OE2 GLU A 123 10.978 -1.297 -11.873 1.00 0.00 O ATOM 0 H GLU A 123 10.987 -1.868 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 123 10.217 -0.371 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.369 -2.685 -8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.771 -3.368 -8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 123 10.146 -3.463 -10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.065 -2.102 -10.239 1.00 0.00 H new ATOM 688 N MET A 124 7.702 -1.868 -6.942 1.00 0.00 N ATOM 689 CA MET A 124 6.249 -1.879 -6.832 1.00 0.00 C ATOM 690 C MET A 124 5.734 -0.498 -6.435 1.00 0.00 C ATOM 691 O MET A 124 4.743 -0.005 -6.971 1.00 0.00 O ATOM 692 CB MET A 124 5.844 -2.907 -5.773 1.00 0.00 C ATOM 693 CG MET A 124 4.351 -2.789 -5.464 1.00 0.00 C ATOM 694 SD MET A 124 3.798 -4.290 -4.616 1.00 0.00 S ATOM 695 CE MET A 124 2.243 -3.631 -3.966 1.00 0.00 C ATOM 0 H MET A 124 8.184 -2.432 -6.242 1.00 0.00 H new ATOM 0 HA MET A 124 5.814 -2.144 -7.796 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.071 -3.913 -6.127 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.424 -2.751 -4.864 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.165 -1.915 -4.840 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.787 -2.649 -6.386 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.729 -4.406 -3.398 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.452 -2.782 -3.315 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.611 -3.307 -4.793 1.00 0.00 H new ATOM 705 N ILE A 125 6.434 0.107 -5.491 1.00 0.00 N ATOM 706 CA ILE A 125 6.085 1.434 -4.996 1.00 0.00 C ATOM 707 C ILE A 125 6.285 2.510 -6.071 1.00 0.00 C ATOM 708 O ILE A 125 5.426 3.371 -6.258 1.00 0.00 O ATOM 709 CB ILE A 125 6.935 1.720 -3.744 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.380 0.918 -2.543 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.978 3.214 -3.414 1.00 0.00 C ATOM 712 CD1 ILE A 125 4.951 1.359 -2.169 1.00 0.00 C ATOM 0 H ILE A 125 7.256 -0.302 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 125 5.027 1.460 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 125 7.958 1.405 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.380 -0.145 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.037 1.050 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.588 3.373 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.411 3.760 -4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.966 3.575 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.599 0.771 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.955 2.416 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.288 1.203 -3.020 1.00 0.00 H new ATOM 724 N ARG A 126 7.406 2.454 -6.779 1.00 0.00 N ATOM 725 CA ARG A 126 7.680 3.431 -7.835 1.00 0.00 C ATOM 726 C ARG A 126 6.745 3.202 -9.019 1.00 0.00 C ATOM 727 O ARG A 126 6.318 4.142 -9.688 1.00 0.00 O ATOM 728 CB ARG A 126 9.133 3.320 -8.311 1.00 0.00 C ATOM 729 CG ARG A 126 9.503 4.548 -9.174 1.00 0.00 C ATOM 730 CD ARG A 126 10.066 5.668 -8.292 1.00 0.00 C ATOM 731 NE ARG A 126 11.422 5.336 -7.873 1.00 0.00 N ATOM 732 CZ ARG A 126 12.131 6.159 -7.108 1.00 0.00 C ATOM 733 NH1 ARG A 126 11.653 6.561 -5.963 1.00 0.00 N ATOM 734 NH2 ARG A 126 13.304 6.567 -7.506 1.00 0.00 N ATOM 0 H ARG A 126 8.135 1.753 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 126 7.514 4.428 -7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.801 3.254 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.266 2.406 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.239 4.264 -9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.622 4.904 -9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.066 6.610 -8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.430 5.809 -7.418 1.00 0.00 H new ATOM 0 HE ARG A 126 11.835 4.453 -8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.734 6.244 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.198 7.193 -5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.675 6.254 -8.403 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.850 7.199 -6.920 1.00 0.00 H new ATOM 748 N GLU A 127 6.432 1.934 -9.255 1.00 0.00 N ATOM 749 CA GLU A 127 5.543 1.554 -10.346 1.00 0.00 C ATOM 750 C GLU A 127 4.106 1.972 -10.044 1.00 0.00 C ATOM 751 O GLU A 127 3.383 2.435 -10.926 1.00 0.00 O ATOM 752 CB GLU A 127 5.617 0.039 -10.561 1.00 0.00 C ATOM 753 CG GLU A 127 4.706 -0.375 -11.719 1.00 0.00 C ATOM 754 CD GLU A 127 4.864 -1.869 -11.980 1.00 0.00 C ATOM 755 OE1 GLU A 127 5.459 -2.535 -11.149 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.386 -2.325 -13.006 1.00 0.00 O ATOM 0 H GLU A 127 6.781 1.150 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 127 5.862 2.066 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.645 -0.256 -10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.318 -0.480 -9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.668 -0.144 -11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.960 0.191 -12.616 1.00 0.00 H new ATOM 763 N ALA A 128 3.703 1.808 -8.788 1.00 0.00 N ATOM 764 CA ALA A 128 2.347 2.171 -8.380 1.00 0.00 C ATOM 765 C ALA A 128 2.219 3.679 -8.177 1.00 0.00 C ATOM 766 O ALA A 128 1.114 4.210 -8.135 1.00 0.00 O ATOM 767 CB ALA A 128 1.963 1.440 -7.094 1.00 0.00 C ATOM 0 H ALA A 128 4.287 1.431 -8.042 1.00 0.00 H new ATOM 0 HA ALA A 128 1.667 1.872 -9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.951 1.721 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.007 0.364 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.657 1.713 -6.299 1.00 0.00 H new ATOM 773 N ASP A 129 3.353 4.360 -8.058 1.00 0.00 N ATOM 774 CA ASP A 129 3.366 5.816 -7.867 1.00 0.00 C ATOM 775 C ASP A 129 3.609 6.531 -9.209 1.00 0.00 C ATOM 776 O ASP A 129 4.645 6.322 -9.830 1.00 0.00 O ATOM 777 CB ASP A 129 4.494 6.179 -6.889 1.00 0.00 C ATOM 778 CG ASP A 129 4.089 5.829 -5.460 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.032 6.265 -5.045 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.847 5.135 -4.801 1.00 0.00 O ATOM 0 H ASP A 129 4.278 3.932 -8.090 1.00 0.00 H new ATOM 0 HA ASP A 129 2.402 6.133 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.404 5.643 -7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.718 7.243 -6.960 1.00 0.00 H new ATOM 785 N VAL A 130 2.694 7.421 -9.636 1.00 0.00 N ATOM 786 CA VAL A 130 2.886 8.171 -10.882 1.00 0.00 C ATOM 787 C VAL A 130 2.733 9.662 -10.587 1.00 0.00 C ATOM 788 O VAL A 130 3.121 10.516 -11.384 1.00 0.00 O ATOM 789 CB VAL A 130 1.933 7.674 -11.991 1.00 0.00 C ATOM 790 CG1 VAL A 130 1.928 6.126 -12.016 1.00 0.00 C ATOM 791 CG2 VAL A 130 0.504 8.181 -11.759 1.00 0.00 C ATOM 0 H VAL A 130 1.827 7.633 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 130 3.892 8.001 -11.267 1.00 0.00 H new ATOM 0 HB VAL A 130 2.288 8.063 -12.945 1.00 0.00 H new ATOM 0 HG11 VAL A 130 1.255 5.777 -12.799 1.00 0.00 H new ATOM 0 HG12 VAL A 130 2.936 5.762 -12.215 1.00 0.00 H new ATOM 0 HG13 VAL A 130 1.589 5.748 -11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -0.145 7.816 -12.555 1.00 0.00 H new ATOM 0 HG22 VAL A 130 0.140 7.817 -10.798 1.00 0.00 H new ATOM 0 HG23 VAL A 130 0.500 9.271 -11.759 1.00 0.00 H new ATOM 801 N ASP A 131 2.212 9.962 -9.397 1.00 0.00 N ATOM 802 CA ASP A 131 2.092 11.355 -8.971 1.00 0.00 C ATOM 803 C ASP A 131 3.455 11.769 -8.434 1.00 0.00 C ATOM 804 O ASP A 131 3.741 12.953 -8.252 1.00 0.00 O ATOM 805 CB ASP A 131 1.047 11.528 -7.856 1.00 0.00 C ATOM 806 CG ASP A 131 1.386 10.611 -6.690 1.00 0.00 C ATOM 807 OD1 ASP A 131 2.304 9.821 -6.838 1.00 0.00 O ATOM 808 OD2 ASP A 131 0.727 10.712 -5.668 1.00 0.00 O ATOM 0 H ASP A 131 1.873 9.275 -8.724 1.00 0.00 H new ATOM 0 HA ASP A 131 1.772 11.966 -9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.026 12.565 -7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.052 11.296 -8.237 1.00 0.00 H new ATOM 813 N GLY A 132 4.304 10.760 -8.194 1.00 0.00 N ATOM 814 CA GLY A 132 5.649 11.009 -7.684 1.00 0.00 C ATOM 815 C GLY A 132 5.624 11.491 -6.230 1.00 0.00 C ATOM 816 O GLY A 132 5.869 12.664 -5.949 1.00 0.00 O ATOM 0 H GLY A 132 4.082 9.776 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.240 10.096 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.142 11.756 -8.306 1.00 0.00 H new ATOM 820 N ASP A 133 5.331 10.568 -5.311 1.00 0.00 N ATOM 821 CA ASP A 133 5.275 10.895 -3.879 1.00 0.00 C ATOM 822 C ASP A 133 5.994 9.840 -3.038 1.00 0.00 C ATOM 823 O ASP A 133 6.434 10.123 -1.924 1.00 0.00 O ATOM 824 CB ASP A 133 3.818 10.985 -3.428 1.00 0.00 C ATOM 825 CG ASP A 133 3.133 9.639 -3.631 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.751 8.766 -4.217 1.00 0.00 O ATOM 827 OD2 ASP A 133 2.001 9.501 -3.197 1.00 0.00 O ATOM 0 H ASP A 133 5.129 9.592 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 133 5.775 11.853 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.770 11.274 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.299 11.757 -3.995 1.00 0.00 H new ATOM 832 N GLY A 134 6.105 8.627 -3.568 1.00 0.00 N ATOM 833 CA GLY A 134 6.770 7.545 -2.844 1.00 0.00 C ATOM 834 C GLY A 134 5.806 6.863 -1.880 1.00 0.00 C ATOM 835 O GLY A 134 6.202 6.009 -1.085 1.00 0.00 O ATOM 0 H GLY A 134 5.748 8.368 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.160 6.814 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.623 7.941 -2.293 1.00 0.00 H new ATOM 839 N GLN A 135 4.535 7.236 -1.969 1.00 0.00 N ATOM 840 CA GLN A 135 3.496 6.654 -1.123 1.00 0.00 C ATOM 841 C GLN A 135 2.296 6.312 -1.976 1.00 0.00 C ATOM 842 O GLN A 135 2.073 6.928 -3.018 1.00 0.00 O ATOM 843 CB GLN A 135 3.070 7.643 -0.035 1.00 0.00 C ATOM 844 CG GLN A 135 4.142 7.720 1.059 1.00 0.00 C ATOM 845 CD GLN A 135 4.096 9.074 1.763 1.00 0.00 C ATOM 846 OE1 GLN A 135 3.192 9.332 2.558 1.00 0.00 O ATOM 847 NE2 GLN A 135 5.023 9.957 1.511 1.00 0.00 N ATOM 0 H GLN A 135 4.196 7.943 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 135 3.892 5.756 -0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.913 8.630 -0.471 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.120 7.331 0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.987 6.922 1.785 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.128 7.565 0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.770 9.738 0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 135 5.001 10.866 1.973 1.00 0.00 H new ATOM 856 N ILE A 136 1.512 5.336 -1.537 1.00 0.00 N ATOM 857 CA ILE A 136 0.331 4.938 -2.287 1.00 0.00 C ATOM 858 C ILE A 136 -0.896 5.505 -1.604 1.00 0.00 C ATOM 859 O ILE A 136 -1.231 5.113 -0.485 1.00 0.00 O ATOM 860 CB ILE A 136 0.233 3.407 -2.349 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.626 2.812 -2.601 1.00 0.00 C ATOM 862 CG2 ILE A 136 -0.731 2.980 -3.460 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.238 3.394 -3.878 1.00 0.00 C ATOM 0 H ILE A 136 1.670 4.812 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 136 0.399 5.322 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 136 -0.150 3.036 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 136 2.276 3.022 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.554 1.728 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -0.790 1.892 -3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.721 3.392 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -0.369 3.352 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.225 2.960 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 136 1.596 3.162 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.329 4.476 -3.778 1.00 0.00 H new ATOM 875 N ASN A 137 -1.586 6.400 -2.292 1.00 0.00 N ATOM 876 CA ASN A 137 -2.794 6.982 -1.750 1.00 0.00 C ATOM 877 C ASN A 137 -3.928 6.004 -2.012 1.00 0.00 C ATOM 878 O ASN A 137 -3.794 5.115 -2.852 1.00 0.00 O ATOM 879 CB ASN A 137 -3.067 8.346 -2.411 1.00 0.00 C ATOM 880 CG ASN A 137 -2.617 8.336 -3.872 1.00 0.00 C ATOM 881 OD1 ASN A 137 -1.531 7.850 -4.186 1.00 0.00 O ATOM 882 ND2 ASN A 137 -3.382 8.866 -4.786 1.00 0.00 N ATOM 0 H ASN A 137 -1.329 6.735 -3.221 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.697 7.158 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.131 8.577 -2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.541 9.131 -1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.080 8.877 -5.760 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.282 9.269 -4.527 1.00 0.00 H new ATOM 889 N TYR A 138 -5.021 6.129 -1.283 1.00 0.00 N ATOM 890 CA TYR A 138 -6.119 5.195 -1.463 1.00 0.00 C ATOM 891 C TYR A 138 -6.522 5.106 -2.932 1.00 0.00 C ATOM 892 O TYR A 138 -6.572 4.019 -3.499 1.00 0.00 O ATOM 893 CB TYR A 138 -7.323 5.626 -0.623 1.00 0.00 C ATOM 894 CG TYR A 138 -8.478 4.713 -0.945 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.406 3.372 -0.578 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.593 5.193 -1.644 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.448 2.502 -0.894 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.639 4.321 -1.967 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.566 2.974 -1.593 1.00 0.00 C ATOM 900 OH TYR A 138 -11.593 2.110 -1.913 1.00 0.00 O ATOM 0 H TYR A 138 -5.173 6.849 -0.577 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.784 4.211 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.083 5.574 0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.586 6.661 -0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.540 3.005 -0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.645 6.232 -1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.393 1.464 -0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.502 4.687 -2.504 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.970 2.358 -2.783 1.00 0.00 H new ATOM 910 N GLU A 139 -6.804 6.244 -3.547 1.00 0.00 N ATOM 911 CA GLU A 139 -7.206 6.246 -4.948 1.00 0.00 C ATOM 912 C GLU A 139 -6.182 5.506 -5.806 1.00 0.00 C ATOM 913 O GLU A 139 -6.547 4.743 -6.698 1.00 0.00 O ATOM 914 CB GLU A 139 -7.358 7.685 -5.437 1.00 0.00 C ATOM 915 CG GLU A 139 -6.035 8.424 -5.258 1.00 0.00 C ATOM 916 CD GLU A 139 -6.228 9.910 -5.533 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.250 10.439 -5.131 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.349 10.498 -6.140 1.00 0.00 O ATOM 0 H GLU A 139 -6.764 7.164 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.162 5.731 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.654 7.695 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.147 8.189 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.662 8.279 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.286 8.015 -5.935 1.00 0.00 H new ATOM 925 N GLU A 140 -4.905 5.728 -5.528 1.00 0.00 N ATOM 926 CA GLU A 140 -3.847 5.066 -6.279 1.00 0.00 C ATOM 927 C GLU A 140 -3.853 3.574 -5.972 1.00 0.00 C ATOM 928 O GLU A 140 -3.655 2.742 -6.859 1.00 0.00 O ATOM 929 CB GLU A 140 -2.500 5.669 -5.905 1.00 0.00 C ATOM 930 CG GLU A 140 -1.420 5.155 -6.856 1.00 0.00 C ATOM 931 CD GLU A 140 -0.118 5.899 -6.594 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.556 5.557 -5.636 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.186 6.802 -7.356 1.00 0.00 O ATOM 0 H GLU A 140 -4.578 6.356 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.018 5.209 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.552 6.757 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.247 5.407 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.275 4.084 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.732 5.299 -7.890 1.00 0.00 H new ATOM 940 N PHE A 141 -4.104 3.245 -4.706 1.00 0.00 N ATOM 941 CA PHE A 141 -4.160 1.852 -4.283 1.00 0.00 C ATOM 942 C PHE A 141 -5.272 1.154 -5.059 1.00 0.00 C ATOM 943 O PHE A 141 -5.156 -0.005 -5.456 1.00 0.00 O ATOM 944 CB PHE A 141 -4.427 1.753 -2.773 1.00 0.00 C ATOM 945 CG PHE A 141 -4.189 0.327 -2.310 1.00 0.00 C ATOM 946 CD1 PHE A 141 -2.901 -0.220 -2.376 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.250 -0.450 -1.822 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.675 -1.535 -1.961 1.00 0.00 C ATOM 949 CE2 PHE A 141 -5.021 -1.763 -1.405 1.00 0.00 C ATOM 950 CZ PHE A 141 -3.733 -2.305 -1.477 1.00 0.00 C ATOM 0 H PHE A 141 -4.271 3.922 -3.961 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.203 1.371 -4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.773 2.437 -2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.452 2.052 -2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.081 0.376 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.245 -0.033 -1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.682 -1.955 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.838 -2.360 -1.027 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.557 -3.322 -1.157 1.00 0.00 H new ATOM 960 N VAL A 142 -6.355 1.888 -5.269 1.00 0.00 N ATOM 961 CA VAL A 142 -7.500 1.375 -6.005 1.00 0.00 C ATOM 962 C VAL A 142 -7.130 1.155 -7.476 1.00 0.00 C ATOM 963 O VAL A 142 -7.514 0.151 -8.078 1.00 0.00 O ATOM 964 CB VAL A 142 -8.660 2.369 -5.886 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.847 1.887 -6.722 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.082 2.497 -4.410 1.00 0.00 C ATOM 0 H VAL A 142 -6.464 2.846 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.803 0.416 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.336 3.342 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.668 2.599 -6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.548 1.808 -7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.172 0.911 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.907 3.204 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.400 1.524 -4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.238 2.854 -3.820 1.00 0.00 H new ATOM 976 N LYS A 143 -6.387 2.104 -8.048 1.00 0.00 N ATOM 977 CA LYS A 143 -5.970 2.021 -9.449 1.00 0.00 C ATOM 978 C LYS A 143 -5.061 0.811 -9.704 1.00 0.00 C ATOM 979 O LYS A 143 -5.252 0.079 -10.675 1.00 0.00 O ATOM 980 CB LYS A 143 -5.201 3.299 -9.816 1.00 0.00 C ATOM 981 CG LYS A 143 -6.134 4.523 -9.803 1.00 0.00 C ATOM 982 CD LYS A 143 -6.870 4.647 -11.141 1.00 0.00 C ATOM 983 CE LYS A 143 -7.751 5.895 -11.116 1.00 0.00 C ATOM 984 NZ LYS A 143 -8.461 6.028 -12.417 1.00 0.00 N ATOM 0 H LYS A 143 -6.061 2.940 -7.562 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.865 1.910 -10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -4.384 3.452 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.753 3.188 -10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -6.855 4.430 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -5.556 5.427 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -6.153 4.710 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.479 3.761 -11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -8.472 5.828 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -7.142 6.779 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -9.061 6.878 -12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -7.765 6.111 -13.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -9.054 5.189 -12.576 1.00 0.00 H new ATOM 998 N VAL A 144 -4.068 0.611 -8.835 1.00 0.00 N ATOM 999 CA VAL A 144 -3.135 -0.510 -8.987 1.00 0.00 C ATOM 1000 C VAL A 144 -3.788 -1.837 -8.604 1.00 0.00 C ATOM 1001 O VAL A 144 -3.612 -2.848 -9.284 1.00 0.00 O ATOM 1002 CB VAL A 144 -1.906 -0.272 -8.103 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -2.346 -0.185 -6.644 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -0.910 -1.425 -8.266 1.00 0.00 C ATOM 0 H VAL A 144 -3.889 1.204 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.840 -0.568 -10.035 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.424 0.659 -8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.475 -0.016 -6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -3.048 0.640 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -2.830 -1.118 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.040 -1.247 -7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.386 -2.361 -7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.595 -1.489 -9.307 1.00 0.00 H new ATOM 1014 N MET A 145 -4.537 -1.825 -7.505 1.00 0.00 N ATOM 1015 CA MET A 145 -5.207 -3.036 -7.032 1.00 0.00 C ATOM 1016 C MET A 145 -6.281 -3.478 -8.012 1.00 0.00 C ATOM 1017 O MET A 145 -6.402 -4.659 -8.334 1.00 0.00 O ATOM 1018 CB MET A 145 -5.834 -2.782 -5.658 1.00 0.00 C ATOM 1019 CG MET A 145 -6.486 -4.066 -5.120 1.00 0.00 C ATOM 1020 SD MET A 145 -5.238 -5.368 -4.930 1.00 0.00 S ATOM 1021 CE MET A 145 -4.822 -5.049 -3.202 1.00 0.00 C ATOM 0 H MET A 145 -4.696 -0.999 -6.928 1.00 0.00 H new ATOM 0 HA MET A 145 -4.464 -3.830 -6.952 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.071 -2.435 -4.962 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.581 -1.991 -5.733 1.00 0.00 H new ATOM 0 HG2 MET A 145 -6.963 -3.866 -4.160 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.269 -4.399 -5.802 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.787 -4.713 -3.133 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.481 -4.277 -2.806 1.00 0.00 H new ATOM 0 HE3 MET A 145 -4.946 -5.964 -2.623 1.00 0.00 H new ATOM 1031 N MET A 146 -7.048 -2.515 -8.486 1.00 0.00 N ATOM 1032 CA MET A 146 -8.111 -2.803 -9.445 1.00 0.00 C ATOM 1033 C MET A 146 -7.527 -3.291 -10.768 1.00 0.00 C ATOM 1034 O MET A 146 -8.044 -4.227 -11.377 1.00 0.00 O ATOM 1035 CB MET A 146 -8.965 -1.557 -9.683 1.00 0.00 C ATOM 1036 CG MET A 146 -10.109 -1.903 -10.640 1.00 0.00 C ATOM 1037 SD MET A 146 -11.223 -0.482 -10.790 1.00 0.00 S ATOM 1038 CE MET A 146 -12.450 -1.266 -11.866 1.00 0.00 C ATOM 0 H MET A 146 -6.961 -1.532 -8.229 1.00 0.00 H new ATOM 0 HA MET A 146 -8.739 -3.591 -9.029 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.365 -1.190 -8.738 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.354 -0.758 -10.102 1.00 0.00 H new ATOM 0 HG2 MET A 146 -9.710 -2.171 -11.618 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.656 -2.770 -10.271 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.245 -0.555 -12.090 1.00 0.00 H new ATOM 0 HE2 MET A 146 -11.972 -1.581 -12.794 1.00 0.00 H new ATOM 0 HE3 MET A 146 -12.873 -2.135 -11.363 1.00 0.00 H new